data_11240 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11240 _Entry.Title ; Solution structure of the e3_binding domain of dihydrolipoamide branched chaintransacylase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-07-23 _Entry.Accession_date 2010-07-23 _Entry.Last_release_date 2011-08-03 _Entry.Original_release_date 2011-08-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 H. Zhang . . . 11240 2 F. Hayashi . . . 11240 3 S. Yokoyama . . . 11240 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11240 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11240 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 274 11240 '15N chemical shifts' 61 11240 '1H chemical shifts' 452 11240 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-08-03 2010-07-23 original author . 11240 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2COO 'BMRB Entry Tracking System' 11240 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11240 _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 e3_binding domain of dihydrolipoamide branched chaintransacylase ; _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 H. Zhang . . . 11240 1 2 F. Hayashi . . . 11240 1 3 S. Yokoyama . . . 11240 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11240 _Assembly.ID 1 _Assembly.Name ; Lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex, mitochondrial ; _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 E.C.2.3.1.168 _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 'e3_binding domain' 1 $entity_1 A . yes native no no . . . 11240 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2coo . . . . . . 11240 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11240 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'e3_binding domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGHQEIKGRKTLATP AVRRLAMENNIKLSEVVGSG KDGRILKEDILNYLEKQTGA ILPPSGPSSG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 70 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _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 1 no PDB 1ZWV . "Solution Structure Of The Subunit Binding Domain (Hbsbd) Of The Human Mitochondrial Branched-Chain Alpha-Ketoacid Dehydrogenase" . . . . . 70.00 58 100.00 100.00 2.53e-25 . . . . 11240 1 2 no PDB 2COO . "Solution Structure Of The E3_binding Domain Of Dihydrolipoamide Branched Chaintransacylase" . . . . . 100.00 70 100.00 100.00 2.30e-40 . . . . 11240 1 3 no PDB 3RNM . "The Crystal Structure Of The Subunit Binding Of Human Dihydrolipoamide Transacylase (E2b) Bound To Human Dihydrolipoamide Dehyd" . . . . . 70.00 58 97.96 97.96 2.32e-24 . . . . 11240 1 4 no DBJ BAE90611 . "unnamed protein product [Macaca fascicularis]" . . . . . 55.71 301 97.44 97.44 4.32e-16 . . . . 11240 1 5 no DBJ BAG64869 . "unnamed protein product [Homo sapiens]" . . . . . 55.71 301 100.00 100.00 1.63e-16 . . . . 11240 1 6 no GB AAA59200 . "alpha-keto acid dehydrogenase precursor [Homo sapiens]" . . . . . 82.86 315 100.00 100.00 2.68e-30 . . . . 11240 1 7 no REF XP_001488662 . "PREDICTED: lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex, mitochondrial [Equus ca" . . . . . 82.86 482 98.28 100.00 2.88e-29 . . . . 11240 1 8 no REF XP_004471743 . "PREDICTED: lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex, mitochondrial isoform X" . . . . . 52.86 301 97.30 97.30 4.47e-14 . . . . 11240 1 9 no REF XP_005077165 . "PREDICTED: lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex, mitochondrial [Mesocric" . . . . . 82.86 483 98.28 100.00 3.30e-29 . . . . 11240 1 10 no REF XP_005270602 . "PREDICTED: lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex, mitochondrial isoform X" . . . . . 55.71 301 100.00 100.00 1.52e-16 . . . . 11240 1 11 no REF XP_005270603 . "PREDICTED: lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex, mitochondrial isoform X" . . . . . 55.71 301 100.00 100.00 1.52e-16 . . . . 11240 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'e3_binding domain' . 11240 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 . 11240 1 2 . SER . 11240 1 3 . SER . 11240 1 4 . GLY . 11240 1 5 . SER . 11240 1 6 . SER . 11240 1 7 . GLY . 11240 1 8 . HIS . 11240 1 9 . GLN . 11240 1 10 . GLU . 11240 1 11 . ILE . 11240 1 12 . LYS . 11240 1 13 . GLY . 11240 1 14 . ARG . 11240 1 15 . LYS . 11240 1 16 . THR . 11240 1 17 . LEU . 11240 1 18 . ALA . 11240 1 19 . THR . 11240 1 20 . PRO . 11240 1 21 . ALA . 11240 1 22 . VAL . 11240 1 23 . ARG . 11240 1 24 . ARG . 11240 1 25 . LEU . 11240 1 26 . ALA . 11240 1 27 . MET . 11240 1 28 . GLU . 11240 1 29 . ASN . 11240 1 30 . ASN . 11240 1 31 . ILE . 11240 1 32 . LYS . 11240 1 33 . LEU . 11240 1 34 . SER . 11240 1 35 . GLU . 11240 1 36 . VAL . 11240 1 37 . VAL . 11240 1 38 . GLY . 11240 1 39 . SER . 11240 1 40 . GLY . 11240 1 41 . LYS . 11240 1 42 . ASP . 11240 1 43 . GLY . 11240 1 44 . ARG . 11240 1 45 . ILE . 11240 1 46 . LEU . 11240 1 47 . LYS . 11240 1 48 . GLU . 11240 1 49 . ASP . 11240 1 50 . ILE . 11240 1 51 . LEU . 11240 1 52 . ASN . 11240 1 53 . TYR . 11240 1 54 . LEU . 11240 1 55 . GLU . 11240 1 56 . LYS . 11240 1 57 . GLN . 11240 1 58 . THR . 11240 1 59 . GLY . 11240 1 60 . ALA . 11240 1 61 . ILE . 11240 1 62 . LEU . 11240 1 63 . PRO . 11240 1 64 . PRO . 11240 1 65 . SER . 11240 1 66 . GLY . 11240 1 67 . PRO . 11240 1 68 . SER . 11240 1 69 . SER . 11240 1 70 . GLY . 11240 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 11240 1 . SER 2 2 11240 1 . SER 3 3 11240 1 . GLY 4 4 11240 1 . SER 5 5 11240 1 . SER 6 6 11240 1 . GLY 7 7 11240 1 . HIS 8 8 11240 1 . GLN 9 9 11240 1 . GLU 10 10 11240 1 . ILE 11 11 11240 1 . LYS 12 12 11240 1 . GLY 13 13 11240 1 . ARG 14 14 11240 1 . LYS 15 15 11240 1 . THR 16 16 11240 1 . LEU 17 17 11240 1 . ALA 18 18 11240 1 . THR 19 19 11240 1 . PRO 20 20 11240 1 . ALA 21 21 11240 1 . VAL 22 22 11240 1 . ARG 23 23 11240 1 . ARG 24 24 11240 1 . LEU 25 25 11240 1 . ALA 26 26 11240 1 . MET 27 27 11240 1 . GLU 28 28 11240 1 . ASN 29 29 11240 1 . ASN 30 30 11240 1 . ILE 31 31 11240 1 . LYS 32 32 11240 1 . LEU 33 33 11240 1 . SER 34 34 11240 1 . GLU 35 35 11240 1 . VAL 36 36 11240 1 . VAL 37 37 11240 1 . GLY 38 38 11240 1 . SER 39 39 11240 1 . GLY 40 40 11240 1 . LYS 41 41 11240 1 . ASP 42 42 11240 1 . GLY 43 43 11240 1 . ARG 44 44 11240 1 . ILE 45 45 11240 1 . LEU 46 46 11240 1 . LYS 47 47 11240 1 . GLU 48 48 11240 1 . ASP 49 49 11240 1 . ILE 50 50 11240 1 . LEU 51 51 11240 1 . ASN 52 52 11240 1 . TYR 53 53 11240 1 . LEU 54 54 11240 1 . GLU 55 55 11240 1 . LYS 56 56 11240 1 . GLN 57 57 11240 1 . THR 58 58 11240 1 . GLY 59 59 11240 1 . ALA 60 60 11240 1 . ILE 61 61 11240 1 . LEU 62 62 11240 1 . PRO 63 63 11240 1 . PRO 64 64 11240 1 . SER 65 65 11240 1 . GLY 66 66 11240 1 . PRO 67 67 11240 1 . SER 68 68 11240 1 . SER 69 69 11240 1 . GLY 70 70 11240 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 11240 _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 . . . . . . . . . . . . . . . . . . . . . 11240 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 11240 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P040510-10 . . . . . . 11240 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11240 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.11mM 13C, 15N-labeled {protein;} 20mM d-Tris-HCl {(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% NaN3 ; _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 'e3_binding domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.11 . . mM . . . . 11240 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11240 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11240 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11240 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11240 1 6 H2O . . . . . . solvent 90 . . % . . . . 11240 1 7 D2O . . . . . . solvent 10 . . % . . . . 11240 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 11240 _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 11240 1 pH 7.0 0.05 pH 11240 1 pressure 1 0.001 atm 11240 1 temperature 298 0.1 K 11240 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 11240 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1C _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 11240 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11240 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11240 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11240 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11240 2 stop_ save_ save_NMRview _Software.Sf_category software _Software.Sf_framecode NMRview _Software.Entry_ID 11240 _Software.ID 3 _Software.Name NMRView _Software.Version 5.04 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson B.A.' . . 11240 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11240 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11240 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9296 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi N.' . . 11240 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11240 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11240 _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.' . . 11240 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11240 5 'structure solution' 11240 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 11240 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 11240 _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 Varian INOVA . 800 . . . 11240 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 11240 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11240 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11240 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 11240 _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 . . . . . . . . . 11240 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11240 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11240 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 11240 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11240 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11240 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $VNMR . . 11240 1 2 $NMRPipe . . 11240 1 3 $NMRview . . 11240 1 4 $Kujira . . 11240 1 5 $CYANA . . 11240 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 8 8 HIS HA H 1 4.603 0.030 . 1 . . . . 8 HIS HA . 11240 1 2 . 1 1 8 8 HIS HB2 H 1 3.114 0.030 . 2 . . . . 8 HIS HB2 . 11240 1 3 . 1 1 8 8 HIS HB3 H 1 3.057 0.030 . 2 . . . . 8 HIS HB3 . 11240 1 4 . 1 1 8 8 HIS HD2 H 1 6.990 0.030 . 1 . . . . 8 HIS HD2 . 11240 1 5 . 1 1 8 8 HIS HE1 H 1 7.855 0.030 . 1 . . . . 8 HIS HE1 . 11240 1 6 . 1 1 8 8 HIS C C 13 175.453 0.300 . 1 . . . . 8 HIS C . 11240 1 7 . 1 1 8 8 HIS CA C 13 56.574 0.300 . 1 . . . . 8 HIS CA . 11240 1 8 . 1 1 8 8 HIS CB C 13 30.865 0.300 . 1 . . . . 8 HIS CB . 11240 1 9 . 1 1 8 8 HIS CD2 C 13 119.784 0.300 . 1 . . . . 8 HIS CD2 . 11240 1 10 . 1 1 8 8 HIS CE1 C 13 138.453 0.300 . 1 . . . . 8 HIS CE1 . 11240 1 11 . 1 1 9 9 GLN H H 1 8.338 0.030 . 1 . . . . 9 GLN H . 11240 1 12 . 1 1 9 9 GLN HA H 1 4.292 0.030 . 1 . . . . 9 GLN HA . 11240 1 13 . 1 1 9 9 GLN HB2 H 1 2.040 0.030 . 2 . . . . 9 GLN HB2 . 11240 1 14 . 1 1 9 9 GLN HB3 H 1 1.925 0.030 . 2 . . . . 9 GLN HB3 . 11240 1 15 . 1 1 9 9 GLN HE21 H 1 7.499 0.030 . 2 . . . . 9 GLN HE21 . 11240 1 16 . 1 1 9 9 GLN HE22 H 1 6.855 0.030 . 2 . . . . 9 GLN HE22 . 11240 1 17 . 1 1 9 9 GLN HG2 H 1 2.293 0.030 . 1 . . . . 9 GLN HG2 . 11240 1 18 . 1 1 9 9 GLN HG3 H 1 2.293 0.030 . 1 . . . . 9 GLN HG3 . 11240 1 19 . 1 1 9 9 GLN C C 13 175.613 0.300 . 1 . . . . 9 GLN C . 11240 1 20 . 1 1 9 9 GLN CA C 13 55.786 0.300 . 1 . . . . 9 GLN CA . 11240 1 21 . 1 1 9 9 GLN CB C 13 29.616 0.300 . 1 . . . . 9 GLN CB . 11240 1 22 . 1 1 9 9 GLN CG C 13 33.778 0.300 . 1 . . . . 9 GLN CG . 11240 1 23 . 1 1 9 9 GLN N N 15 121.873 0.300 . 1 . . . . 9 GLN N . 11240 1 24 . 1 1 9 9 GLN NE2 N 15 112.465 0.300 . 1 . . . . 9 GLN NE2 . 11240 1 25 . 1 1 10 10 GLU H H 1 8.480 0.030 . 1 . . . . 10 GLU H . 11240 1 26 . 1 1 10 10 GLU HA H 1 4.268 0.030 . 1 . . . . 10 GLU HA . 11240 1 27 . 1 1 10 10 GLU HB2 H 1 1.996 0.030 . 2 . . . . 10 GLU HB2 . 11240 1 28 . 1 1 10 10 GLU HB3 H 1 1.922 0.030 . 2 . . . . 10 GLU HB3 . 11240 1 29 . 1 1 10 10 GLU HG2 H 1 2.191 0.030 . 2 . . . . 10 GLU HG2 . 11240 1 30 . 1 1 10 10 GLU HG3 H 1 2.252 0.030 . 2 . . . . 10 GLU HG3 . 11240 1 31 . 1 1 10 10 GLU C C 13 176.391 0.300 . 1 . . . . 10 GLU C . 11240 1 32 . 1 1 10 10 GLU CA C 13 56.541 0.300 . 1 . . . . 10 GLU CA . 11240 1 33 . 1 1 10 10 GLU CB C 13 30.382 0.300 . 1 . . . . 10 GLU CB . 11240 1 34 . 1 1 10 10 GLU CG C 13 36.263 0.300 . 1 . . . . 10 GLU CG . 11240 1 35 . 1 1 10 10 GLU N N 15 122.722 0.300 . 1 . . . . 10 GLU N . 11240 1 36 . 1 1 11 11 ILE H H 1 8.280 0.030 . 1 . . . . 11 ILE H . 11240 1 37 . 1 1 11 11 ILE HA H 1 4.120 0.030 . 1 . . . . 11 ILE HA . 11240 1 38 . 1 1 11 11 ILE HB H 1 1.838 0.030 . 1 . . . . 11 ILE HB . 11240 1 39 . 1 1 11 11 ILE HD11 H 1 0.864 0.030 . 1 . . . . 11 ILE HD1 . 11240 1 40 . 1 1 11 11 ILE HD12 H 1 0.864 0.030 . 1 . . . . 11 ILE HD1 . 11240 1 41 . 1 1 11 11 ILE HD13 H 1 0.864 0.030 . 1 . . . . 11 ILE HD1 . 11240 1 42 . 1 1 11 11 ILE HG12 H 1 1.467 0.030 . 2 . . . . 11 ILE HG12 . 11240 1 43 . 1 1 11 11 ILE HG13 H 1 1.166 0.030 . 2 . . . . 11 ILE HG13 . 11240 1 44 . 1 1 11 11 ILE HG21 H 1 0.877 0.030 . 1 . . . . 11 ILE HG2 . 11240 1 45 . 1 1 11 11 ILE HG22 H 1 0.877 0.030 . 1 . . . . 11 ILE HG2 . 11240 1 46 . 1 1 11 11 ILE HG23 H 1 0.877 0.030 . 1 . . . . 11 ILE HG2 . 11240 1 47 . 1 1 11 11 ILE C C 13 176.364 0.300 . 1 . . . . 11 ILE C . 11240 1 48 . 1 1 11 11 ILE CA C 13 61.245 0.300 . 1 . . . . 11 ILE CA . 11240 1 49 . 1 1 11 11 ILE CB C 13 38.498 0.300 . 1 . . . . 11 ILE CB . 11240 1 50 . 1 1 11 11 ILE CD1 C 13 12.843 0.300 . 1 . . . . 11 ILE CD1 . 11240 1 51 . 1 1 11 11 ILE CG1 C 13 27.313 0.300 . 1 . . . . 11 ILE CG1 . 11240 1 52 . 1 1 11 11 ILE CG2 C 13 17.603 0.300 . 1 . . . . 11 ILE CG2 . 11240 1 53 . 1 1 11 11 ILE N N 15 123.040 0.300 . 1 . . . . 11 ILE N . 11240 1 54 . 1 1 12 12 LYS H H 1 8.426 0.030 . 1 . . . . 12 LYS H . 11240 1 55 . 1 1 12 12 LYS HA H 1 4.302 0.030 . 1 . . . . 12 LYS HA . 11240 1 56 . 1 1 12 12 LYS HB2 H 1 1.828 0.030 . 2 . . . . 12 LYS HB2 . 11240 1 57 . 1 1 12 12 LYS HB3 H 1 1.772 0.030 . 2 . . . . 12 LYS HB3 . 11240 1 58 . 1 1 12 12 LYS HD2 H 1 1.663 0.030 . 1 . . . . 12 LYS HD2 . 11240 1 59 . 1 1 12 12 LYS HD3 H 1 1.663 0.030 . 1 . . . . 12 LYS HD3 . 11240 1 60 . 1 1 12 12 LYS HE2 H 1 2.974 0.030 . 1 . . . . 12 LYS HE2 . 11240 1 61 . 1 1 12 12 LYS HE3 H 1 2.974 0.030 . 1 . . . . 12 LYS HE3 . 11240 1 62 . 1 1 12 12 LYS HG2 H 1 1.448 0.030 . 2 . . . . 12 LYS HG2 . 11240 1 63 . 1 1 12 12 LYS HG3 H 1 1.394 0.030 . 2 . . . . 12 LYS HG3 . 11240 1 64 . 1 1 12 12 LYS C C 13 177.050 0.300 . 1 . . . . 12 LYS C . 11240 1 65 . 1 1 12 12 LYS CA C 13 56.526 0.300 . 1 . . . . 12 LYS CA . 11240 1 66 . 1 1 12 12 LYS CB C 13 32.944 0.300 . 1 . . . . 12 LYS CB . 11240 1 67 . 1 1 12 12 LYS CD C 13 29.062 0.300 . 1 . . . . 12 LYS CD . 11240 1 68 . 1 1 12 12 LYS CE C 13 42.159 0.300 . 1 . . . . 12 LYS CE . 11240 1 69 . 1 1 12 12 LYS CG C 13 24.865 0.300 . 1 . . . . 12 LYS CG . 11240 1 70 . 1 1 12 12 LYS N N 15 125.838 0.300 . 1 . . . . 12 LYS N . 11240 1 71 . 1 1 13 13 GLY H H 1 8.404 0.030 . 1 . . . . 13 GLY H . 11240 1 72 . 1 1 13 13 GLY HA2 H 1 3.932 0.030 . 1 . . . . 13 GLY HA2 . 11240 1 73 . 1 1 13 13 GLY HA3 H 1 3.932 0.030 . 1 . . . . 13 GLY HA3 . 11240 1 74 . 1 1 13 13 GLY C C 13 173.887 0.300 . 1 . . . . 13 GLY C . 11240 1 75 . 1 1 13 13 GLY CA C 13 45.282 0.300 . 1 . . . . 13 GLY CA . 11240 1 76 . 1 1 13 13 GLY N N 15 110.043 0.300 . 1 . . . . 13 GLY N . 11240 1 77 . 1 1 14 14 ARG H H 1 8.089 0.030 . 1 . . . . 14 ARG H . 11240 1 78 . 1 1 14 14 ARG HA H 1 4.326 0.030 . 1 . . . . 14 ARG HA . 11240 1 79 . 1 1 14 14 ARG HB2 H 1 1.825 0.030 . 2 . . . . 14 ARG HB2 . 11240 1 80 . 1 1 14 14 ARG HB3 H 1 1.750 0.030 . 2 . . . . 14 ARG HB3 . 11240 1 81 . 1 1 14 14 ARG HD2 H 1 3.190 0.030 . 1 . . . . 14 ARG HD2 . 11240 1 82 . 1 1 14 14 ARG HD3 H 1 3.190 0.030 . 1 . . . . 14 ARG HD3 . 11240 1 83 . 1 1 14 14 ARG HG2 H 1 1.598 0.030 . 2 . . . . 14 ARG HG2 . 11240 1 84 . 1 1 14 14 ARG HG3 H 1 1.584 0.030 . 2 . . . . 14 ARG HG3 . 11240 1 85 . 1 1 14 14 ARG C C 13 176.185 0.300 . 1 . . . . 14 ARG C . 11240 1 86 . 1 1 14 14 ARG CA C 13 56.043 0.300 . 1 . . . . 14 ARG CA . 11240 1 87 . 1 1 14 14 ARG CB C 13 31.106 0.300 . 1 . . . . 14 ARG CB . 11240 1 88 . 1 1 14 14 ARG CD C 13 43.474 0.300 . 1 . . . . 14 ARG CD . 11240 1 89 . 1 1 14 14 ARG CG C 13 27.025 0.300 . 1 . . . . 14 ARG CG . 11240 1 90 . 1 1 14 14 ARG N N 15 120.726 0.300 . 1 . . . . 14 ARG N . 11240 1 91 . 1 1 15 15 LYS H H 1 8.479 0.030 . 1 . . . . 15 LYS H . 11240 1 92 . 1 1 15 15 LYS HA H 1 4.386 0.030 . 1 . . . . 15 LYS HA . 11240 1 93 . 1 1 15 15 LYS HB2 H 1 1.784 0.030 . 2 . . . . 15 LYS HB2 . 11240 1 94 . 1 1 15 15 LYS HB3 H 1 1.741 0.030 . 2 . . . . 15 LYS HB3 . 11240 1 95 . 1 1 15 15 LYS HD2 H 1 1.673 0.030 . 1 . . . . 15 LYS HD2 . 11240 1 96 . 1 1 15 15 LYS HD3 H 1 1.673 0.030 . 1 . . . . 15 LYS HD3 . 11240 1 97 . 1 1 15 15 LYS HE2 H 1 3.002 0.030 . 1 . . . . 15 LYS HE2 . 11240 1 98 . 1 1 15 15 LYS HE3 H 1 3.002 0.030 . 1 . . . . 15 LYS HE3 . 11240 1 99 . 1 1 15 15 LYS HG2 H 1 1.443 0.030 . 2 . . . . 15 LYS HG2 . 11240 1 100 . 1 1 15 15 LYS HG3 H 1 1.372 0.030 . 2 . . . . 15 LYS HG3 . 11240 1 101 . 1 1 15 15 LYS C C 13 176.318 0.300 . 1 . . . . 15 LYS C . 11240 1 102 . 1 1 15 15 LYS CA C 13 56.087 0.300 . 1 . . . . 15 LYS CA . 11240 1 103 . 1 1 15 15 LYS CB C 13 33.128 0.300 . 1 . . . . 15 LYS CB . 11240 1 104 . 1 1 15 15 LYS CD C 13 29.067 0.300 . 1 . . . . 15 LYS CD . 11240 1 105 . 1 1 15 15 LYS CE C 13 42.221 0.300 . 1 . . . . 15 LYS CE . 11240 1 106 . 1 1 15 15 LYS CG C 13 24.807 0.300 . 1 . . . . 15 LYS CG . 11240 1 107 . 1 1 15 15 LYS N N 15 123.994 0.300 . 1 . . . . 15 LYS N . 11240 1 108 . 1 1 16 16 THR H H 1 8.325 0.030 . 1 . . . . 16 THR H . 11240 1 109 . 1 1 16 16 THR HA H 1 4.152 0.030 . 1 . . . . 16 THR HA . 11240 1 110 . 1 1 16 16 THR HB H 1 3.931 0.030 . 1 . . . . 16 THR HB . 11240 1 111 . 1 1 16 16 THR HG21 H 1 1.057 0.030 . 1 . . . . 16 THR HG2 . 11240 1 112 . 1 1 16 16 THR HG22 H 1 1.057 0.030 . 1 . . . . 16 THR HG2 . 11240 1 113 . 1 1 16 16 THR HG23 H 1 1.057 0.030 . 1 . . . . 16 THR HG2 . 11240 1 114 . 1 1 16 16 THR C C 13 173.541 0.300 . 1 . . . . 16 THR C . 11240 1 115 . 1 1 16 16 THR CA C 13 62.142 0.300 . 1 . . . . 16 THR CA . 11240 1 116 . 1 1 16 16 THR CB C 13 70.099 0.300 . 1 . . . . 16 THR CB . 11240 1 117 . 1 1 16 16 THR CG2 C 13 22.154 0.300 . 1 . . . . 16 THR CG2 . 11240 1 118 . 1 1 16 16 THR N N 15 118.278 0.300 . 1 . . . . 16 THR N . 11240 1 119 . 1 1 17 17 LEU H H 1 8.783 0.030 . 1 . . . . 17 LEU H . 11240 1 120 . 1 1 17 17 LEU HA H 1 4.568 0.030 . 1 . . . . 17 LEU HA . 11240 1 121 . 1 1 17 17 LEU HB2 H 1 1.447 0.030 . 2 . . . . 17 LEU HB2 . 11240 1 122 . 1 1 17 17 LEU HB3 H 1 1.403 0.030 . 2 . . . . 17 LEU HB3 . 11240 1 123 . 1 1 17 17 LEU HD11 H 1 0.896 0.030 . 1 . . . . 17 LEU HD1 . 11240 1 124 . 1 1 17 17 LEU HD12 H 1 0.896 0.030 . 1 . . . . 17 LEU HD1 . 11240 1 125 . 1 1 17 17 LEU HD13 H 1 0.896 0.030 . 1 . . . . 17 LEU HD1 . 11240 1 126 . 1 1 17 17 LEU HD21 H 1 0.828 0.030 . 1 . . . . 17 LEU HD2 . 11240 1 127 . 1 1 17 17 LEU HD22 H 1 0.828 0.030 . 1 . . . . 17 LEU HD2 . 11240 1 128 . 1 1 17 17 LEU HD23 H 1 0.828 0.030 . 1 . . . . 17 LEU HD2 . 11240 1 129 . 1 1 17 17 LEU HG H 1 1.394 0.030 . 1 . . . . 17 LEU HG . 11240 1 130 . 1 1 17 17 LEU C C 13 173.954 0.300 . 1 . . . . 17 LEU C . 11240 1 131 . 1 1 17 17 LEU CA C 13 53.977 0.300 . 1 . . . . 17 LEU CA . 11240 1 132 . 1 1 17 17 LEU CB C 13 43.445 0.300 . 1 . . . . 17 LEU CB . 11240 1 133 . 1 1 17 17 LEU CD1 C 13 24.682 0.300 . 2 . . . . 17 LEU CD1 . 11240 1 134 . 1 1 17 17 LEU CD2 C 13 24.446 0.300 . 2 . . . . 17 LEU CD2 . 11240 1 135 . 1 1 17 17 LEU CG C 13 26.874 0.300 . 1 . . . . 17 LEU CG . 11240 1 136 . 1 1 17 17 LEU N N 15 128.658 0.300 . 1 . . . . 17 LEU N . 11240 1 137 . 1 1 18 18 ALA H H 1 8.132 0.030 . 1 . . . . 18 ALA H . 11240 1 138 . 1 1 18 18 ALA HA H 1 4.731 0.030 . 1 . . . . 18 ALA HA . 11240 1 139 . 1 1 18 18 ALA HB1 H 1 1.256 0.030 . 1 . . . . 18 ALA HB . 11240 1 140 . 1 1 18 18 ALA HB2 H 1 1.256 0.030 . 1 . . . . 18 ALA HB . 11240 1 141 . 1 1 18 18 ALA HB3 H 1 1.256 0.030 . 1 . . . . 18 ALA HB . 11240 1 142 . 1 1 18 18 ALA C C 13 176.335 0.300 . 1 . . . . 18 ALA C . 11240 1 143 . 1 1 18 18 ALA CA C 13 51.488 0.300 . 1 . . . . 18 ALA CA . 11240 1 144 . 1 1 18 18 ALA CB C 13 21.890 0.300 . 1 . . . . 18 ALA CB . 11240 1 145 . 1 1 18 18 ALA N N 15 123.784 0.300 . 1 . . . . 18 ALA N . 11240 1 146 . 1 1 19 19 THR H H 1 8.668 0.030 . 1 . . . . 19 THR H . 11240 1 147 . 1 1 19 19 THR HA H 1 4.635 0.030 . 1 . . . . 19 THR HA . 11240 1 148 . 1 1 19 19 THR HB H 1 4.822 0.030 . 1 . . . . 19 THR HB . 11240 1 149 . 1 1 19 19 THR HG21 H 1 1.436 0.030 . 1 . . . . 19 THR HG2 . 11240 1 150 . 1 1 19 19 THR HG22 H 1 1.436 0.030 . 1 . . . . 19 THR HG2 . 11240 1 151 . 1 1 19 19 THR HG23 H 1 1.436 0.030 . 1 . . . . 19 THR HG2 . 11240 1 152 . 1 1 19 19 THR C C 13 173.602 0.300 . 1 . . . . 19 THR C . 11240 1 153 . 1 1 19 19 THR CA C 13 60.490 0.300 . 1 . . . . 19 THR CA . 11240 1 154 . 1 1 19 19 THR CB C 13 68.394 0.300 . 1 . . . . 19 THR CB . 11240 1 155 . 1 1 19 19 THR CG2 C 13 22.663 0.300 . 1 . . . . 19 THR CG2 . 11240 1 156 . 1 1 19 19 THR N N 15 114.877 0.300 . 1 . . . . 19 THR N . 11240 1 157 . 1 1 20 20 PRO HA H 1 4.210 0.030 . 1 . . . . 20 PRO HA . 11240 1 158 . 1 1 20 20 PRO HB2 H 1 2.442 0.030 . 2 . . . . 20 PRO HB2 . 11240 1 159 . 1 1 20 20 PRO HB3 H 1 2.007 0.030 . 2 . . . . 20 PRO HB3 . 11240 1 160 . 1 1 20 20 PRO HD2 H 1 4.005 0.030 . 2 . . . . 20 PRO HD2 . 11240 1 161 . 1 1 20 20 PRO HD3 H 1 3.955 0.030 . 2 . . . . 20 PRO HD3 . 11240 1 162 . 1 1 20 20 PRO HG2 H 1 2.272 0.030 . 2 . . . . 20 PRO HG2 . 11240 1 163 . 1 1 20 20 PRO HG3 H 1 2.087 0.030 . 2 . . . . 20 PRO HG3 . 11240 1 164 . 1 1 20 20 PRO CA C 13 66.089 0.300 . 1 . . . . 20 PRO CA . 11240 1 165 . 1 1 20 20 PRO CB C 13 31.893 0.300 . 1 . . . . 20 PRO CB . 11240 1 166 . 1 1 20 20 PRO CD C 13 50.631 0.300 . 1 . . . . 20 PRO CD . 11240 1 167 . 1 1 20 20 PRO CG C 13 28.127 0.300 . 1 . . . . 20 PRO CG . 11240 1 168 . 1 1 21 21 ALA H H 1 8.261 0.030 . 1 . . . . 21 ALA H . 11240 1 169 . 1 1 21 21 ALA HA H 1 4.128 0.030 . 1 . . . . 21 ALA HA . 11240 1 170 . 1 1 21 21 ALA HB1 H 1 1.465 0.030 . 1 . . . . 21 ALA HB . 11240 1 171 . 1 1 21 21 ALA HB2 H 1 1.465 0.030 . 1 . . . . 21 ALA HB . 11240 1 172 . 1 1 21 21 ALA HB3 H 1 1.465 0.030 . 1 . . . . 21 ALA HB . 11240 1 173 . 1 1 21 21 ALA C C 13 180.976 0.300 . 1 . . . . 21 ALA C . 11240 1 174 . 1 1 21 21 ALA CA C 13 55.348 0.300 . 1 . . . . 21 ALA CA . 11240 1 175 . 1 1 21 21 ALA CB C 13 18.677 0.300 . 1 . . . . 21 ALA CB . 11240 1 176 . 1 1 22 22 VAL H H 1 7.597 0.030 . 1 . . . . 22 VAL H . 11240 1 177 . 1 1 22 22 VAL HA H 1 3.504 0.030 . 1 . . . . 22 VAL HA . 11240 1 178 . 1 1 22 22 VAL HB H 1 2.137 0.030 . 1 . . . . 22 VAL HB . 11240 1 179 . 1 1 22 22 VAL HG11 H 1 1.029 0.030 . 1 . . . . 22 VAL HG1 . 11240 1 180 . 1 1 22 22 VAL HG12 H 1 1.029 0.030 . 1 . . . . 22 VAL HG1 . 11240 1 181 . 1 1 22 22 VAL HG13 H 1 1.029 0.030 . 1 . . . . 22 VAL HG1 . 11240 1 182 . 1 1 22 22 VAL HG21 H 1 0.759 0.030 . 1 . . . . 22 VAL HG2 . 11240 1 183 . 1 1 22 22 VAL HG22 H 1 0.759 0.030 . 1 . . . . 22 VAL HG2 . 11240 1 184 . 1 1 22 22 VAL HG23 H 1 0.759 0.030 . 1 . . . . 22 VAL HG2 . 11240 1 185 . 1 1 22 22 VAL C C 13 177.319 0.300 . 1 . . . . 22 VAL C . 11240 1 186 . 1 1 22 22 VAL CA C 13 67.115 0.300 . 1 . . . . 22 VAL CA . 11240 1 187 . 1 1 22 22 VAL CB C 13 31.498 0.300 . 1 . . . . 22 VAL CB . 11240 1 188 . 1 1 22 22 VAL CG1 C 13 24.380 0.300 . 2 . . . . 22 VAL CG1 . 11240 1 189 . 1 1 22 22 VAL CG2 C 13 21.407 0.300 . 2 . . . . 22 VAL CG2 . 11240 1 190 . 1 1 22 22 VAL N N 15 122.029 0.300 . 1 . . . . 22 VAL N . 11240 1 191 . 1 1 23 23 ARG H H 1 8.462 0.030 . 1 . . . . 23 ARG H . 11240 1 192 . 1 1 23 23 ARG HA H 1 3.837 0.030 . 1 . . . . 23 ARG HA . 11240 1 193 . 1 1 23 23 ARG HB2 H 1 1.832 0.030 . 1 . . . . 23 ARG HB2 . 11240 1 194 . 1 1 23 23 ARG HB3 H 1 1.832 0.030 . 1 . . . . 23 ARG HB3 . 11240 1 195 . 1 1 23 23 ARG HD2 H 1 3.242 0.030 . 2 . . . . 23 ARG HD2 . 11240 1 196 . 1 1 23 23 ARG HD3 H 1 2.999 0.030 . 2 . . . . 23 ARG HD3 . 11240 1 197 . 1 1 23 23 ARG HG2 H 1 1.655 0.030 . 2 . . . . 23 ARG HG2 . 11240 1 198 . 1 1 23 23 ARG HG3 H 1 1.464 0.030 . 2 . . . . 23 ARG HG3 . 11240 1 199 . 1 1 23 23 ARG C C 13 179.349 0.300 . 1 . . . . 23 ARG C . 11240 1 200 . 1 1 23 23 ARG CA C 13 60.163 0.300 . 1 . . . . 23 ARG CA . 11240 1 201 . 1 1 23 23 ARG CB C 13 29.575 0.300 . 1 . . . . 23 ARG CB . 11240 1 202 . 1 1 23 23 ARG CD C 13 43.411 0.300 . 1 . . . . 23 ARG CD . 11240 1 203 . 1 1 23 23 ARG CG C 13 29.443 0.300 . 1 . . . . 23 ARG CG . 11240 1 204 . 1 1 23 23 ARG N N 15 119.410 0.300 . 1 . . . . 23 ARG N . 11240 1 205 . 1 1 24 24 ARG H H 1 8.431 0.030 . 1 . . . . 24 ARG H . 11240 1 206 . 1 1 24 24 ARG HA H 1 4.105 0.030 . 1 . . . . 24 ARG HA . 11240 1 207 . 1 1 24 24 ARG HB2 H 1 1.901 0.030 . 1 . . . . 24 ARG HB2 . 11240 1 208 . 1 1 24 24 ARG HB3 H 1 1.901 0.030 . 1 . . . . 24 ARG HB3 . 11240 1 209 . 1 1 24 24 ARG HD2 H 1 3.208 0.030 . 1 . . . . 24 ARG HD2 . 11240 1 210 . 1 1 24 24 ARG HD3 H 1 3.208 0.030 . 1 . . . . 24 ARG HD3 . 11240 1 211 . 1 1 24 24 ARG HG2 H 1 1.704 0.030 . 2 . . . . 24 ARG HG2 . 11240 1 212 . 1 1 24 24 ARG HG3 H 1 1.568 0.030 . 2 . . . . 24 ARG HG3 . 11240 1 213 . 1 1 24 24 ARG C C 13 177.451 0.300 . 1 . . . . 24 ARG C . 11240 1 214 . 1 1 24 24 ARG CA C 13 59.343 0.300 . 1 . . . . 24 ARG CA . 11240 1 215 . 1 1 24 24 ARG CB C 13 29.844 0.300 . 1 . . . . 24 ARG CB . 11240 1 216 . 1 1 24 24 ARG CD C 13 43.413 0.300 . 1 . . . . 24 ARG CD . 11240 1 217 . 1 1 24 24 ARG CG C 13 27.281 0.300 . 1 . . . . 24 ARG CG . 11240 1 218 . 1 1 24 24 ARG N N 15 120.252 0.300 . 1 . . . . 24 ARG N . 11240 1 219 . 1 1 25 25 LEU H H 1 7.553 0.030 . 1 . . . . 25 LEU H . 11240 1 220 . 1 1 25 25 LEU HA H 1 4.189 0.030 . 1 . . . . 25 LEU HA . 11240 1 221 . 1 1 25 25 LEU HB2 H 1 1.872 0.030 . 2 . . . . 25 LEU HB2 . 11240 1 222 . 1 1 25 25 LEU HB3 H 1 1.686 0.030 . 2 . . . . 25 LEU HB3 . 11240 1 223 . 1 1 25 25 LEU HD11 H 1 0.900 0.030 . 1 . . . . 25 LEU HD1 . 11240 1 224 . 1 1 25 25 LEU HD12 H 1 0.900 0.030 . 1 . . . . 25 LEU HD1 . 11240 1 225 . 1 1 25 25 LEU HD13 H 1 0.900 0.030 . 1 . . . . 25 LEU HD1 . 11240 1 226 . 1 1 25 25 LEU HD21 H 1 0.919 0.030 . 1 . . . . 25 LEU HD2 . 11240 1 227 . 1 1 25 25 LEU HD22 H 1 0.919 0.030 . 1 . . . . 25 LEU HD2 . 11240 1 228 . 1 1 25 25 LEU HD23 H 1 0.919 0.030 . 1 . . . . 25 LEU HD2 . 11240 1 229 . 1 1 25 25 LEU HG H 1 1.502 0.030 . 1 . . . . 25 LEU HG . 11240 1 230 . 1 1 25 25 LEU C C 13 179.650 0.300 . 1 . . . . 25 LEU C . 11240 1 231 . 1 1 25 25 LEU CA C 13 57.627 0.300 . 1 . . . . 25 LEU CA . 11240 1 232 . 1 1 25 25 LEU CB C 13 42.329 0.300 . 1 . . . . 25 LEU CB . 11240 1 233 . 1 1 25 25 LEU CD1 C 13 26.200 0.300 . 2 . . . . 25 LEU CD1 . 11240 1 234 . 1 1 25 25 LEU CD2 C 13 23.539 0.300 . 2 . . . . 25 LEU CD2 . 11240 1 235 . 1 1 25 25 LEU CG C 13 27.287 0.300 . 1 . . . . 25 LEU CG . 11240 1 236 . 1 1 25 25 LEU N N 15 120.894 0.300 . 1 . . . . 25 LEU N . 11240 1 237 . 1 1 26 26 ALA H H 1 8.226 0.030 . 1 . . . . 26 ALA H . 11240 1 238 . 1 1 26 26 ALA HA H 1 3.885 0.030 . 1 . . . . 26 ALA HA . 11240 1 239 . 1 1 26 26 ALA HB1 H 1 1.420 0.030 . 1 . . . . 26 ALA HB . 11240 1 240 . 1 1 26 26 ALA HB2 H 1 1.420 0.030 . 1 . . . . 26 ALA HB . 11240 1 241 . 1 1 26 26 ALA HB3 H 1 1.420 0.030 . 1 . . . . 26 ALA HB . 11240 1 242 . 1 1 26 26 ALA C C 13 179.250 0.300 . 1 . . . . 26 ALA C . 11240 1 243 . 1 1 26 26 ALA CA C 13 55.793 0.300 . 1 . . . . 26 ALA CA . 11240 1 244 . 1 1 26 26 ALA CB C 13 17.712 0.300 . 1 . . . . 26 ALA CB . 11240 1 245 . 1 1 26 26 ALA N N 15 120.615 0.300 . 1 . . . . 26 ALA N . 11240 1 246 . 1 1 27 27 MET H H 1 8.133 0.030 . 1 . . . . 27 MET H . 11240 1 247 . 1 1 27 27 MET HA H 1 4.209 0.030 . 1 . . . . 27 MET HA . 11240 1 248 . 1 1 27 27 MET HB2 H 1 2.265 0.030 . 1 . . . . 27 MET HB2 . 11240 1 249 . 1 1 27 27 MET HB3 H 1 2.265 0.030 . 1 . . . . 27 MET HB3 . 11240 1 250 . 1 1 27 27 MET HE1 H 1 2.121 0.030 . 1 . . . . 27 MET HE . 11240 1 251 . 1 1 27 27 MET HE2 H 1 2.121 0.030 . 1 . . . . 27 MET HE . 11240 1 252 . 1 1 27 27 MET HE3 H 1 2.121 0.030 . 1 . . . . 27 MET HE . 11240 1 253 . 1 1 27 27 MET HG2 H 1 2.634 0.030 . 2 . . . . 27 MET HG2 . 11240 1 254 . 1 1 27 27 MET HG3 H 1 2.744 0.030 . 2 . . . . 27 MET HG3 . 11240 1 255 . 1 1 27 27 MET C C 13 180.742 0.300 . 1 . . . . 27 MET C . 11240 1 256 . 1 1 27 27 MET CA C 13 59.095 0.300 . 1 . . . . 27 MET CA . 11240 1 257 . 1 1 27 27 MET CB C 13 32.434 0.300 . 1 . . . . 27 MET CB . 11240 1 258 . 1 1 27 27 MET CE C 13 17.037 0.300 . 1 . . . . 27 MET CE . 11240 1 259 . 1 1 27 27 MET CG C 13 31.950 0.300 . 1 . . . . 27 MET CG . 11240 1 260 . 1 1 27 27 MET N N 15 118.816 0.300 . 1 . . . . 27 MET N . 11240 1 261 . 1 1 28 28 GLU H H 1 8.750 0.030 . 1 . . . . 28 GLU H . 11240 1 262 . 1 1 28 28 GLU HA H 1 4.050 0.030 . 1 . . . . 28 GLU HA . 11240 1 263 . 1 1 28 28 GLU HB2 H 1 2.146 0.030 . 2 . . . . 28 GLU HB2 . 11240 1 264 . 1 1 28 28 GLU HB3 H 1 2.019 0.030 . 2 . . . . 28 GLU HB3 . 11240 1 265 . 1 1 28 28 GLU HG2 H 1 2.473 0.030 . 2 . . . . 28 GLU HG2 . 11240 1 266 . 1 1 28 28 GLU HG3 H 1 2.326 0.030 . 2 . . . . 28 GLU HG3 . 11240 1 267 . 1 1 28 28 GLU C C 13 176.978 0.300 . 1 . . . . 28 GLU C . 11240 1 268 . 1 1 28 28 GLU CA C 13 58.697 0.300 . 1 . . . . 28 GLU CA . 11240 1 269 . 1 1 28 28 GLU CB C 13 29.685 0.300 . 1 . . . . 28 GLU CB . 11240 1 270 . 1 1 28 28 GLU CG C 13 36.897 0.300 . 1 . . . . 28 GLU CG . 11240 1 271 . 1 1 28 28 GLU N N 15 119.783 0.300 . 1 . . . . 28 GLU N . 11240 1 272 . 1 1 29 29 ASN H H 1 7.260 0.030 . 1 . . . . 29 ASN H . 11240 1 273 . 1 1 29 29 ASN HA H 1 4.814 0.030 . 1 . . . . 29 ASN HA . 11240 1 274 . 1 1 29 29 ASN HB2 H 1 2.952 0.030 . 2 . . . . 29 ASN HB2 . 11240 1 275 . 1 1 29 29 ASN HB3 H 1 2.354 0.030 . 2 . . . . 29 ASN HB3 . 11240 1 276 . 1 1 29 29 ASN HD21 H 1 7.742 0.030 . 2 . . . . 29 ASN HD21 . 11240 1 277 . 1 1 29 29 ASN HD22 H 1 7.450 0.030 . 2 . . . . 29 ASN HD22 . 11240 1 278 . 1 1 29 29 ASN C C 13 172.726 0.300 . 1 . . . . 29 ASN C . 11240 1 279 . 1 1 29 29 ASN CA C 13 53.668 0.300 . 1 . . . . 29 ASN CA . 11240 1 280 . 1 1 29 29 ASN CB C 13 41.303 0.300 . 1 . . . . 29 ASN CB . 11240 1 281 . 1 1 29 29 ASN N N 15 114.314 0.300 . 1 . . . . 29 ASN N . 11240 1 282 . 1 1 29 29 ASN ND2 N 15 115.435 0.300 . 1 . . . . 29 ASN ND2 . 11240 1 283 . 1 1 30 30 ASN H H 1 7.975 0.030 . 1 . . . . 30 ASN H . 11240 1 284 . 1 1 30 30 ASN HA H 1 4.374 0.030 . 1 . . . . 30 ASN HA . 11240 1 285 . 1 1 30 30 ASN HB2 H 1 3.092 0.030 . 2 . . . . 30 ASN HB2 . 11240 1 286 . 1 1 30 30 ASN HB3 H 1 2.758 0.030 . 2 . . . . 30 ASN HB3 . 11240 1 287 . 1 1 30 30 ASN HD21 H 1 7.626 0.030 . 2 . . . . 30 ASN HD21 . 11240 1 288 . 1 1 30 30 ASN HD22 H 1 6.831 0.030 . 2 . . . . 30 ASN HD22 . 11240 1 289 . 1 1 30 30 ASN C C 13 173.831 0.300 . 1 . . . . 30 ASN C . 11240 1 290 . 1 1 30 30 ASN CA C 13 54.680 0.300 . 1 . . . . 30 ASN CA . 11240 1 291 . 1 1 30 30 ASN CB C 13 37.350 0.300 . 1 . . . . 30 ASN CB . 11240 1 292 . 1 1 30 30 ASN N N 15 115.833 0.300 . 1 . . . . 30 ASN N . 11240 1 293 . 1 1 30 30 ASN ND2 N 15 113.090 0.300 . 1 . . . . 30 ASN ND2 . 11240 1 294 . 1 1 31 31 ILE H H 1 8.108 0.030 . 1 . . . . 31 ILE H . 11240 1 295 . 1 1 31 31 ILE HA H 1 4.163 0.030 . 1 . . . . 31 ILE HA . 11240 1 296 . 1 1 31 31 ILE HB H 1 1.518 0.030 . 1 . . . . 31 ILE HB . 11240 1 297 . 1 1 31 31 ILE HD11 H 1 0.794 0.030 . 1 . . . . 31 ILE HD1 . 11240 1 298 . 1 1 31 31 ILE HD12 H 1 0.794 0.030 . 1 . . . . 31 ILE HD1 . 11240 1 299 . 1 1 31 31 ILE HD13 H 1 0.794 0.030 . 1 . . . . 31 ILE HD1 . 11240 1 300 . 1 1 31 31 ILE HG12 H 1 1.038 0.030 . 2 . . . . 31 ILE HG12 . 11240 1 301 . 1 1 31 31 ILE HG13 H 1 1.428 0.030 . 2 . . . . 31 ILE HG13 . 11240 1 302 . 1 1 31 31 ILE HG21 H 1 0.409 0.030 . 1 . . . . 31 ILE HG2 . 11240 1 303 . 1 1 31 31 ILE HG22 H 1 0.409 0.030 . 1 . . . . 31 ILE HG2 . 11240 1 304 . 1 1 31 31 ILE HG23 H 1 0.409 0.030 . 1 . . . . 31 ILE HG2 . 11240 1 305 . 1 1 31 31 ILE C C 13 175.578 0.300 . 1 . . . . 31 ILE C . 11240 1 306 . 1 1 31 31 ILE CA C 13 59.770 0.300 . 1 . . . . 31 ILE CA . 11240 1 307 . 1 1 31 31 ILE CB C 13 40.278 0.300 . 1 . . . . 31 ILE CB . 11240 1 308 . 1 1 31 31 ILE CD1 C 13 14.792 0.300 . 1 . . . . 31 ILE CD1 . 11240 1 309 . 1 1 31 31 ILE CG1 C 13 27.018 0.300 . 1 . . . . 31 ILE CG1 . 11240 1 310 . 1 1 31 31 ILE CG2 C 13 17.353 0.300 . 1 . . . . 31 ILE CG2 . 11240 1 311 . 1 1 31 31 ILE N N 15 117.538 0.300 . 1 . . . . 31 ILE N . 11240 1 312 . 1 1 32 32 LYS H H 1 8.646 0.030 . 1 . . . . 32 LYS H . 11240 1 313 . 1 1 32 32 LYS HA H 1 4.260 0.030 . 1 . . . . 32 LYS HA . 11240 1 314 . 1 1 32 32 LYS HB2 H 1 1.781 0.030 . 2 . . . . 32 LYS HB2 . 11240 1 315 . 1 1 32 32 LYS HB3 H 1 1.660 0.030 . 2 . . . . 32 LYS HB3 . 11240 1 316 . 1 1 32 32 LYS HD2 H 1 1.632 0.030 . 1 . . . . 32 LYS HD2 . 11240 1 317 . 1 1 32 32 LYS HD3 H 1 1.632 0.030 . 1 . . . . 32 LYS HD3 . 11240 1 318 . 1 1 32 32 LYS HE2 H 1 2.966 0.030 . 1 . . . . 32 LYS HE2 . 11240 1 319 . 1 1 32 32 LYS HE3 H 1 2.966 0.030 . 1 . . . . 32 LYS HE3 . 11240 1 320 . 1 1 32 32 LYS HG2 H 1 1.470 0.030 . 2 . . . . 32 LYS HG2 . 11240 1 321 . 1 1 32 32 LYS HG3 H 1 1.369 0.030 . 2 . . . . 32 LYS HG3 . 11240 1 322 . 1 1 32 32 LYS C C 13 176.791 0.300 . 1 . . . . 32 LYS C . 11240 1 323 . 1 1 32 32 LYS CA C 13 55.355 0.300 . 1 . . . . 32 LYS CA . 11240 1 324 . 1 1 32 32 LYS CB C 13 32.212 0.300 . 1 . . . . 32 LYS CB . 11240 1 325 . 1 1 32 32 LYS CD C 13 29.230 0.300 . 1 . . . . 32 LYS CD . 11240 1 326 . 1 1 32 32 LYS CE C 13 42.066 0.300 . 1 . . . . 32 LYS CE . 11240 1 327 . 1 1 32 32 LYS CG C 13 24.807 0.300 . 1 . . . . 32 LYS CG . 11240 1 328 . 1 1 32 32 LYS N N 15 127.613 0.300 . 1 . . . . 32 LYS N . 11240 1 329 . 1 1 33 33 LEU H H 1 8.410 0.030 . 1 . . . . 33 LEU H . 11240 1 330 . 1 1 33 33 LEU HA H 1 3.659 0.030 . 1 . . . . 33 LEU HA . 11240 1 331 . 1 1 33 33 LEU HB2 H 1 1.650 0.030 . 2 . . . . 33 LEU HB2 . 11240 1 332 . 1 1 33 33 LEU HB3 H 1 1.440 0.030 . 2 . . . . 33 LEU HB3 . 11240 1 333 . 1 1 33 33 LEU HD11 H 1 0.773 0.030 . 1 . . . . 33 LEU HD1 . 11240 1 334 . 1 1 33 33 LEU HD12 H 1 0.773 0.030 . 1 . . . . 33 LEU HD1 . 11240 1 335 . 1 1 33 33 LEU HD13 H 1 0.773 0.030 . 1 . . . . 33 LEU HD1 . 11240 1 336 . 1 1 33 33 LEU HD21 H 1 0.666 0.030 . 1 . . . . 33 LEU HD2 . 11240 1 337 . 1 1 33 33 LEU HD22 H 1 0.666 0.030 . 1 . . . . 33 LEU HD2 . 11240 1 338 . 1 1 33 33 LEU HD23 H 1 0.666 0.030 . 1 . . . . 33 LEU HD2 . 11240 1 339 . 1 1 33 33 LEU HG H 1 1.669 0.030 . 1 . . . . 33 LEU HG . 11240 1 340 . 1 1 33 33 LEU C C 13 177.639 0.300 . 1 . . . . 33 LEU C . 11240 1 341 . 1 1 33 33 LEU CA C 13 57.738 0.300 . 1 . . . . 33 LEU CA . 11240 1 342 . 1 1 33 33 LEU CB C 13 41.334 0.300 . 1 . . . . 33 LEU CB . 11240 1 343 . 1 1 33 33 LEU CD1 C 13 25.913 0.300 . 2 . . . . 33 LEU CD1 . 11240 1 344 . 1 1 33 33 LEU CD2 C 13 24.419 0.300 . 2 . . . . 33 LEU CD2 . 11240 1 345 . 1 1 33 33 LEU CG C 13 26.658 0.300 . 1 . . . . 33 LEU CG . 11240 1 346 . 1 1 33 33 LEU N N 15 126.465 0.300 . 1 . . . . 33 LEU N . 11240 1 347 . 1 1 34 34 SER H H 1 7.929 0.030 . 1 . . . . 34 SER H . 11240 1 348 . 1 1 34 34 SER HA H 1 4.027 0.030 . 1 . . . . 34 SER HA . 11240 1 349 . 1 1 34 34 SER HB2 H 1 3.780 0.030 . 2 . . . . 34 SER HB2 . 11240 1 350 . 1 1 34 34 SER HB3 H 1 3.970 0.030 . 2 . . . . 34 SER HB3 . 11240 1 351 . 1 1 34 34 SER C C 13 175.322 0.300 . 1 . . . . 34 SER C . 11240 1 352 . 1 1 34 34 SER CA C 13 60.046 0.300 . 1 . . . . 34 SER CA . 11240 1 353 . 1 1 34 34 SER CB C 13 62.481 0.300 . 1 . . . . 34 SER CB . 11240 1 354 . 1 1 34 34 SER N N 15 109.307 0.300 . 1 . . . . 34 SER N . 11240 1 355 . 1 1 35 35 GLU H H 1 7.723 0.030 . 1 . . . . 35 GLU H . 11240 1 356 . 1 1 35 35 GLU HA H 1 4.255 0.030 . 1 . . . . 35 GLU HA . 11240 1 357 . 1 1 35 35 GLU HB2 H 1 2.285 0.030 . 2 . . . . 35 GLU HB2 . 11240 1 358 . 1 1 35 35 GLU HB3 H 1 1.938 0.030 . 2 . . . . 35 GLU HB3 . 11240 1 359 . 1 1 35 35 GLU HG2 H 1 2.214 0.030 . 2 . . . . 35 GLU HG2 . 11240 1 360 . 1 1 35 35 GLU HG3 H 1 2.271 0.030 . 2 . . . . 35 GLU HG3 . 11240 1 361 . 1 1 35 35 GLU C C 13 175.358 0.300 . 1 . . . . 35 GLU C . 11240 1 362 . 1 1 35 35 GLU CA C 13 56.249 0.300 . 1 . . . . 35 GLU CA . 11240 1 363 . 1 1 35 35 GLU CB C 13 30.278 0.300 . 1 . . . . 35 GLU CB . 11240 1 364 . 1 1 35 35 GLU CG C 13 37.085 0.300 . 1 . . . . 35 GLU CG . 11240 1 365 . 1 1 35 35 GLU N N 15 119.650 0.300 . 1 . . . . 35 GLU N . 11240 1 366 . 1 1 36 36 VAL H H 1 7.299 0.030 . 1 . . . . 36 VAL H . 11240 1 367 . 1 1 36 36 VAL HA H 1 3.828 0.030 . 1 . . . . 36 VAL HA . 11240 1 368 . 1 1 36 36 VAL HB H 1 1.914 0.030 . 1 . . . . 36 VAL HB . 11240 1 369 . 1 1 36 36 VAL HG11 H 1 0.338 0.030 . 1 . . . . 36 VAL HG1 . 11240 1 370 . 1 1 36 36 VAL HG12 H 1 0.338 0.030 . 1 . . . . 36 VAL HG1 . 11240 1 371 . 1 1 36 36 VAL HG13 H 1 0.338 0.030 . 1 . . . . 36 VAL HG1 . 11240 1 372 . 1 1 36 36 VAL HG21 H 1 0.629 0.030 . 1 . . . . 36 VAL HG2 . 11240 1 373 . 1 1 36 36 VAL HG22 H 1 0.629 0.030 . 1 . . . . 36 VAL HG2 . 11240 1 374 . 1 1 36 36 VAL HG23 H 1 0.629 0.030 . 1 . . . . 36 VAL HG2 . 11240 1 375 . 1 1 36 36 VAL C C 13 174.431 0.300 . 1 . . . . 36 VAL C . 11240 1 376 . 1 1 36 36 VAL CA C 13 61.587 0.300 . 1 . . . . 36 VAL CA . 11240 1 377 . 1 1 36 36 VAL CB C 13 32.977 0.300 . 1 . . . . 36 VAL CB . 11240 1 378 . 1 1 36 36 VAL CG1 C 13 21.220 0.300 . 2 . . . . 36 VAL CG1 . 11240 1 379 . 1 1 36 36 VAL CG2 C 13 22.514 0.300 . 2 . . . . 36 VAL CG2 . 11240 1 380 . 1 1 36 36 VAL N N 15 119.757 0.300 . 1 . . . . 36 VAL N . 11240 1 381 . 1 1 37 37 VAL H H 1 8.486 0.030 . 1 . . . . 37 VAL H . 11240 1 382 . 1 1 37 37 VAL HA H 1 3.855 0.030 . 1 . . . . 37 VAL HA . 11240 1 383 . 1 1 37 37 VAL HB H 1 1.963 0.030 . 1 . . . . 37 VAL HB . 11240 1 384 . 1 1 37 37 VAL HG11 H 1 0.936 0.030 . 1 . . . . 37 VAL HG1 . 11240 1 385 . 1 1 37 37 VAL HG12 H 1 0.936 0.030 . 1 . . . . 37 VAL HG1 . 11240 1 386 . 1 1 37 37 VAL HG13 H 1 0.936 0.030 . 1 . . . . 37 VAL HG1 . 11240 1 387 . 1 1 37 37 VAL HG21 H 1 0.880 0.030 . 1 . . . . 37 VAL HG2 . 11240 1 388 . 1 1 37 37 VAL HG22 H 1 0.880 0.030 . 1 . . . . 37 VAL HG2 . 11240 1 389 . 1 1 37 37 VAL HG23 H 1 0.880 0.030 . 1 . . . . 37 VAL HG2 . 11240 1 390 . 1 1 37 37 VAL C C 13 176.000 0.300 . 1 . . . . 37 VAL C . 11240 1 391 . 1 1 37 37 VAL CA C 13 62.421 0.300 . 1 . . . . 37 VAL CA . 11240 1 392 . 1 1 37 37 VAL CB C 13 31.939 0.300 . 1 . . . . 37 VAL CB . 11240 1 393 . 1 1 37 37 VAL CG1 C 13 21.236 0.300 . 2 . . . . 37 VAL CG1 . 11240 1 394 . 1 1 37 37 VAL CG2 C 13 21.241 0.300 . 2 . . . . 37 VAL CG2 . 11240 1 395 . 1 1 37 37 VAL N N 15 127.531 0.300 . 1 . . . . 37 VAL N . 11240 1 396 . 1 1 38 38 GLY H H 1 8.619 0.030 . 1 . . . . 38 GLY H . 11240 1 397 . 1 1 38 38 GLY HA2 H 1 4.265 0.030 . 2 . . . . 38 GLY HA2 . 11240 1 398 . 1 1 38 38 GLY HA3 H 1 3.375 0.030 . 2 . . . . 38 GLY HA3 . 11240 1 399 . 1 1 38 38 GLY C C 13 174.795 0.300 . 1 . . . . 38 GLY C . 11240 1 400 . 1 1 38 38 GLY CA C 13 45.854 0.300 . 1 . . . . 38 GLY CA . 11240 1 401 . 1 1 38 38 GLY N N 15 116.021 0.300 . 1 . . . . 38 GLY N . 11240 1 402 . 1 1 39 39 SER H H 1 10.144 0.030 . 1 . . . . 39 SER H . 11240 1 403 . 1 1 39 39 SER HA H 1 4.597 0.030 . 1 . . . . 39 SER HA . 11240 1 404 . 1 1 39 39 SER HB2 H 1 4.085 0.030 . 2 . . . . 39 SER HB2 . 11240 1 405 . 1 1 39 39 SER HB3 H 1 3.775 0.030 . 2 . . . . 39 SER HB3 . 11240 1 406 . 1 1 39 39 SER C C 13 176.300 0.300 . 1 . . . . 39 SER C . 11240 1 407 . 1 1 39 39 SER CA C 13 58.205 0.300 . 1 . . . . 39 SER CA . 11240 1 408 . 1 1 39 39 SER CB C 13 64.110 0.300 . 1 . . . . 39 SER CB . 11240 1 409 . 1 1 39 39 SER N N 15 120.436 0.300 . 1 . . . . 39 SER N . 11240 1 410 . 1 1 40 40 GLY H H 1 8.982 0.030 . 1 . . . . 40 GLY H . 11240 1 411 . 1 1 40 40 GLY HA2 H 1 4.363 0.030 . 2 . . . . 40 GLY HA2 . 11240 1 412 . 1 1 40 40 GLY HA3 H 1 3.547 0.030 . 2 . . . . 40 GLY HA3 . 11240 1 413 . 1 1 40 40 GLY C C 13 173.556 0.300 . 1 . . . . 40 GLY C . 11240 1 414 . 1 1 40 40 GLY CA C 13 44.310 0.300 . 1 . . . . 40 GLY CA . 11240 1 415 . 1 1 40 40 GLY N N 15 111.377 0.300 . 1 . . . . 40 GLY N . 11240 1 416 . 1 1 41 41 LYS H H 1 8.764 0.030 . 1 . . . . 41 LYS H . 11240 1 417 . 1 1 41 41 LYS HA H 1 4.096 0.030 . 1 . . . . 41 LYS HA . 11240 1 418 . 1 1 41 41 LYS HB2 H 1 1.826 0.030 . 2 . . . . 41 LYS HB2 . 11240 1 419 . 1 1 41 41 LYS HB3 H 1 1.722 0.030 . 2 . . . . 41 LYS HB3 . 11240 1 420 . 1 1 41 41 LYS HD2 H 1 1.725 0.030 . 1 . . . . 41 LYS HD2 . 11240 1 421 . 1 1 41 41 LYS HD3 H 1 1.725 0.030 . 1 . . . . 41 LYS HD3 . 11240 1 422 . 1 1 41 41 LYS HE2 H 1 3.023 0.030 . 1 . . . . 41 LYS HE2 . 11240 1 423 . 1 1 41 41 LYS HE3 H 1 3.023 0.030 . 1 . . . . 41 LYS HE3 . 11240 1 424 . 1 1 41 41 LYS HG2 H 1 1.482 0.030 . 2 . . . . 41 LYS HG2 . 11240 1 425 . 1 1 41 41 LYS HG3 H 1 1.406 0.030 . 2 . . . . 41 LYS HG3 . 11240 1 426 . 1 1 41 41 LYS C C 13 179.113 0.300 . 1 . . . . 41 LYS C . 11240 1 427 . 1 1 41 41 LYS CA C 13 57.916 0.300 . 1 . . . . 41 LYS CA . 11240 1 428 . 1 1 41 41 LYS CB C 13 31.956 0.300 . 1 . . . . 41 LYS CB . 11240 1 429 . 1 1 41 41 LYS CD C 13 29.185 0.300 . 1 . . . . 41 LYS CD . 11240 1 430 . 1 1 41 41 LYS CE C 13 42.208 0.300 . 1 . . . . 41 LYS CE . 11240 1 431 . 1 1 41 41 LYS CG C 13 24.846 0.300 . 1 . . . . 41 LYS CG . 11240 1 432 . 1 1 41 41 LYS N N 15 122.576 0.300 . 1 . . . . 41 LYS N . 11240 1 433 . 1 1 42 42 ASP H H 1 9.327 0.030 . 1 . . . . 42 ASP H . 11240 1 434 . 1 1 42 42 ASP HA H 1 4.318 0.030 . 1 . . . . 42 ASP HA . 11240 1 435 . 1 1 42 42 ASP HB2 H 1 2.881 0.030 . 2 . . . . 42 ASP HB2 . 11240 1 436 . 1 1 42 42 ASP HB3 H 1 2.770 0.030 . 2 . . . . 42 ASP HB3 . 11240 1 437 . 1 1 42 42 ASP C C 13 175.137 0.300 . 1 . . . . 42 ASP C . 11240 1 438 . 1 1 42 42 ASP CA C 13 55.747 0.300 . 1 . . . . 42 ASP CA . 11240 1 439 . 1 1 42 42 ASP CB C 13 39.609 0.300 . 1 . . . . 42 ASP CB . 11240 1 440 . 1 1 43 43 GLY H H 1 7.890 0.030 . 1 . . . . 43 GLY H . 11240 1 441 . 1 1 43 43 GLY HA2 H 1 4.058 0.030 . 2 . . . . 43 GLY HA2 . 11240 1 442 . 1 1 43 43 GLY HA3 H 1 3.549 0.030 . 2 . . . . 43 GLY HA3 . 11240 1 443 . 1 1 43 43 GLY C C 13 174.695 0.300 . 1 . . . . 43 GLY C . 11240 1 444 . 1 1 43 43 GLY CA C 13 45.318 0.300 . 1 . . . . 43 GLY CA . 11240 1 445 . 1 1 43 43 GLY N N 15 103.800 0.300 . 1 . . . . 43 GLY N . 11240 1 446 . 1 1 44 44 ARG H H 1 7.068 0.030 . 1 . . . . 44 ARG H . 11240 1 447 . 1 1 44 44 ARG HA H 1 4.151 0.030 . 1 . . . . 44 ARG HA . 11240 1 448 . 1 1 44 44 ARG HB2 H 1 1.393 0.030 . 2 . . . . 44 ARG HB2 . 11240 1 449 . 1 1 44 44 ARG HB3 H 1 1.915 0.030 . 2 . . . . 44 ARG HB3 . 11240 1 450 . 1 1 44 44 ARG HD2 H 1 3.069 0.030 . 2 . . . . 44 ARG HD2 . 11240 1 451 . 1 1 44 44 ARG HD3 H 1 3.472 0.030 . 2 . . . . 44 ARG HD3 . 11240 1 452 . 1 1 44 44 ARG HG2 H 1 1.519 0.030 . 2 . . . . 44 ARG HG2 . 11240 1 453 . 1 1 44 44 ARG HG3 H 1 1.283 0.030 . 2 . . . . 44 ARG HG3 . 11240 1 454 . 1 1 44 44 ARG C C 13 174.303 0.300 . 1 . . . . 44 ARG C . 11240 1 455 . 1 1 44 44 ARG CA C 13 56.796 0.300 . 1 . . . . 44 ARG CA . 11240 1 456 . 1 1 44 44 ARG CB C 13 31.532 0.300 . 1 . . . . 44 ARG CB . 11240 1 457 . 1 1 44 44 ARG CD C 13 43.036 0.300 . 1 . . . . 44 ARG CD . 11240 1 458 . 1 1 44 44 ARG CG C 13 27.434 0.300 . 1 . . . . 44 ARG CG . 11240 1 459 . 1 1 44 44 ARG N N 15 121.726 0.300 . 1 . . . . 44 ARG N . 11240 1 460 . 1 1 45 45 ILE H H 1 8.494 0.030 . 1 . . . . 45 ILE H . 11240 1 461 . 1 1 45 45 ILE HA H 1 4.258 0.030 . 1 . . . . 45 ILE HA . 11240 1 462 . 1 1 45 45 ILE HB H 1 1.722 0.030 . 1 . . . . 45 ILE HB . 11240 1 463 . 1 1 45 45 ILE HD11 H 1 0.849 0.030 . 1 . . . . 45 ILE HD1 . 11240 1 464 . 1 1 45 45 ILE HD12 H 1 0.849 0.030 . 1 . . . . 45 ILE HD1 . 11240 1 465 . 1 1 45 45 ILE HD13 H 1 0.849 0.030 . 1 . . . . 45 ILE HD1 . 11240 1 466 . 1 1 45 45 ILE HG12 H 1 1.802 0.030 . 2 . . . . 45 ILE HG12 . 11240 1 467 . 1 1 45 45 ILE HG13 H 1 0.840 0.030 . 2 . . . . 45 ILE HG13 . 11240 1 468 . 1 1 45 45 ILE HG21 H 1 0.823 0.030 . 1 . . . . 45 ILE HG2 . 11240 1 469 . 1 1 45 45 ILE HG22 H 1 0.823 0.030 . 1 . . . . 45 ILE HG2 . 11240 1 470 . 1 1 45 45 ILE HG23 H 1 0.823 0.030 . 1 . . . . 45 ILE HG2 . 11240 1 471 . 1 1 45 45 ILE C C 13 174.438 0.300 . 1 . . . . 45 ILE C . 11240 1 472 . 1 1 45 45 ILE CA C 13 61.278 0.300 . 1 . . . . 45 ILE CA . 11240 1 473 . 1 1 45 45 ILE CB C 13 38.677 0.300 . 1 . . . . 45 ILE CB . 11240 1 474 . 1 1 45 45 ILE CD1 C 13 15.257 0.300 . 1 . . . . 45 ILE CD1 . 11240 1 475 . 1 1 45 45 ILE CG1 C 13 28.359 0.300 . 1 . . . . 45 ILE CG1 . 11240 1 476 . 1 1 45 45 ILE CG2 C 13 18.963 0.300 . 1 . . . . 45 ILE CG2 . 11240 1 477 . 1 1 45 45 ILE N N 15 125.823 0.300 . 1 . . . . 45 ILE N . 11240 1 478 . 1 1 46 46 LEU H H 1 9.511 0.030 . 1 . . . . 46 LEU H . 11240 1 479 . 1 1 46 46 LEU HA H 1 4.719 0.030 . 1 . . . . 46 LEU HA . 11240 1 480 . 1 1 46 46 LEU HB2 H 1 1.828 0.030 . 2 . . . . 46 LEU HB2 . 11240 1 481 . 1 1 46 46 LEU HB3 H 1 1.551 0.030 . 2 . . . . 46 LEU HB3 . 11240 1 482 . 1 1 46 46 LEU HD11 H 1 0.845 0.030 . 1 . . . . 46 LEU HD1 . 11240 1 483 . 1 1 46 46 LEU HD12 H 1 0.845 0.030 . 1 . . . . 46 LEU HD1 . 11240 1 484 . 1 1 46 46 LEU HD13 H 1 0.845 0.030 . 1 . . . . 46 LEU HD1 . 11240 1 485 . 1 1 46 46 LEU HD21 H 1 0.835 0.030 . 1 . . . . 46 LEU HD2 . 11240 1 486 . 1 1 46 46 LEU HD22 H 1 0.835 0.030 . 1 . . . . 46 LEU HD2 . 11240 1 487 . 1 1 46 46 LEU HD23 H 1 0.835 0.030 . 1 . . . . 46 LEU HD2 . 11240 1 488 . 1 1 46 46 LEU HG H 1 1.667 0.030 . 1 . . . . 46 LEU HG . 11240 1 489 . 1 1 46 46 LEU C C 13 179.350 0.300 . 1 . . . . 46 LEU C . 11240 1 490 . 1 1 46 46 LEU CA C 13 52.715 0.300 . 1 . . . . 46 LEU CA . 11240 1 491 . 1 1 46 46 LEU CB C 13 43.838 0.300 . 1 . . . . 46 LEU CB . 11240 1 492 . 1 1 46 46 LEU CD1 C 13 25.278 0.300 . 2 . . . . 46 LEU CD1 . 11240 1 493 . 1 1 46 46 LEU CD2 C 13 22.239 0.300 . 2 . . . . 46 LEU CD2 . 11240 1 494 . 1 1 46 46 LEU CG C 13 26.688 0.300 . 1 . . . . 46 LEU CG . 11240 1 495 . 1 1 46 46 LEU N N 15 128.781 0.300 . 1 . . . . 46 LEU N . 11240 1 496 . 1 1 47 47 LYS H H 1 9.321 0.030 . 1 . . . . 47 LYS H . 11240 1 497 . 1 1 47 47 LYS HA H 1 3.704 0.030 . 1 . . . . 47 LYS HA . 11240 1 498 . 1 1 47 47 LYS HB2 H 1 1.870 0.030 . 2 . . . . 47 LYS HB2 . 11240 1 499 . 1 1 47 47 LYS HB3 H 1 1.722 0.030 . 2 . . . . 47 LYS HB3 . 11240 1 500 . 1 1 47 47 LYS HD2 H 1 1.667 0.030 . 1 . . . . 47 LYS HD2 . 11240 1 501 . 1 1 47 47 LYS HD3 H 1 1.667 0.030 . 1 . . . . 47 LYS HD3 . 11240 1 502 . 1 1 47 47 LYS HE2 H 1 2.907 0.030 . 1 . . . . 47 LYS HE2 . 11240 1 503 . 1 1 47 47 LYS HE3 H 1 2.907 0.030 . 1 . . . . 47 LYS HE3 . 11240 1 504 . 1 1 47 47 LYS HG2 H 1 1.211 0.030 . 2 . . . . 47 LYS HG2 . 11240 1 505 . 1 1 47 47 LYS HG3 H 1 1.345 0.030 . 2 . . . . 47 LYS HG3 . 11240 1 506 . 1 1 47 47 LYS C C 13 178.541 0.300 . 1 . . . . 47 LYS C . 11240 1 507 . 1 1 47 47 LYS CA C 13 60.954 0.300 . 1 . . . . 47 LYS CA . 11240 1 508 . 1 1 47 47 LYS CB C 13 31.982 0.300 . 1 . . . . 47 LYS CB . 11240 1 509 . 1 1 47 47 LYS CD C 13 29.692 0.300 . 1 . . . . 47 LYS CD . 11240 1 510 . 1 1 47 47 LYS CE C 13 42.033 0.300 . 1 . . . . 47 LYS CE . 11240 1 511 . 1 1 47 47 LYS CG C 13 25.093 0.300 . 1 . . . . 47 LYS CG . 11240 1 512 . 1 1 47 47 LYS N N 15 124.028 0.300 . 1 . . . . 47 LYS N . 11240 1 513 . 1 1 48 48 GLU H H 1 9.637 0.030 . 1 . . . . 48 GLU H . 11240 1 514 . 1 1 48 48 GLU HA H 1 3.887 0.030 . 1 . . . . 48 GLU HA . 11240 1 515 . 1 1 48 48 GLU HB2 H 1 1.971 0.030 . 1 . . . . 48 GLU HB2 . 11240 1 516 . 1 1 48 48 GLU HB3 H 1 1.971 0.030 . 1 . . . . 48 GLU HB3 . 11240 1 517 . 1 1 48 48 GLU HG2 H 1 2.423 0.030 . 2 . . . . 48 GLU HG2 . 11240 1 518 . 1 1 48 48 GLU HG3 H 1 2.215 0.030 . 2 . . . . 48 GLU HG3 . 11240 1 519 . 1 1 48 48 GLU C C 13 178.259 0.300 . 1 . . . . 48 GLU C . 11240 1 520 . 1 1 48 48 GLU CA C 13 60.328 0.300 . 1 . . . . 48 GLU CA . 11240 1 521 . 1 1 48 48 GLU CB C 13 28.874 0.300 . 1 . . . . 48 GLU CB . 11240 1 522 . 1 1 48 48 GLU CG C 13 37.204 0.300 . 1 . . . . 48 GLU CG . 11240 1 523 . 1 1 48 48 GLU N N 15 116.287 0.300 . 1 . . . . 48 GLU N . 11240 1 524 . 1 1 49 49 ASP H H 1 7.416 0.030 . 1 . . . . 49 ASP H . 11240 1 525 . 1 1 49 49 ASP HA H 1 4.530 0.030 . 1 . . . . 49 ASP HA . 11240 1 526 . 1 1 49 49 ASP HB2 H 1 3.174 0.030 . 2 . . . . 49 ASP HB2 . 11240 1 527 . 1 1 49 49 ASP HB3 H 1 2.706 0.030 . 2 . . . . 49 ASP HB3 . 11240 1 528 . 1 1 49 49 ASP C C 13 179.397 0.300 . 1 . . . . 49 ASP C . 11240 1 529 . 1 1 49 49 ASP CA C 13 57.332 0.300 . 1 . . . . 49 ASP CA . 11240 1 530 . 1 1 49 49 ASP CB C 13 40.937 0.300 . 1 . . . . 49 ASP CB . 11240 1 531 . 1 1 49 49 ASP N N 15 118.497 0.300 . 1 . . . . 49 ASP N . 11240 1 532 . 1 1 50 50 ILE H H 1 7.394 0.030 . 1 . . . . 50 ILE H . 11240 1 533 . 1 1 50 50 ILE HA H 1 3.703 0.030 . 1 . . . . 50 ILE HA . 11240 1 534 . 1 1 50 50 ILE HB H 1 2.383 0.030 . 1 . . . . 50 ILE HB . 11240 1 535 . 1 1 50 50 ILE HD11 H 1 0.619 0.030 . 1 . . . . 50 ILE HD1 . 11240 1 536 . 1 1 50 50 ILE HD12 H 1 0.619 0.030 . 1 . . . . 50 ILE HD1 . 11240 1 537 . 1 1 50 50 ILE HD13 H 1 0.619 0.030 . 1 . . . . 50 ILE HD1 . 11240 1 538 . 1 1 50 50 ILE HG12 H 1 1.514 0.030 . 2 . . . . 50 ILE HG12 . 11240 1 539 . 1 1 50 50 ILE HG13 H 1 1.348 0.030 . 2 . . . . 50 ILE HG13 . 11240 1 540 . 1 1 50 50 ILE HG21 H 1 0.769 0.030 . 1 . . . . 50 ILE HG2 . 11240 1 541 . 1 1 50 50 ILE HG22 H 1 0.769 0.030 . 1 . . . . 50 ILE HG2 . 11240 1 542 . 1 1 50 50 ILE HG23 H 1 0.769 0.030 . 1 . . . . 50 ILE HG2 . 11240 1 543 . 1 1 50 50 ILE C C 13 177.386 0.300 . 1 . . . . 50 ILE C . 11240 1 544 . 1 1 50 50 ILE CA C 13 62.656 0.300 . 1 . . . . 50 ILE CA . 11240 1 545 . 1 1 50 50 ILE CB C 13 35.511 0.300 . 1 . . . . 50 ILE CB . 11240 1 546 . 1 1 50 50 ILE CD1 C 13 11.251 0.300 . 1 . . . . 50 ILE CD1 . 11240 1 547 . 1 1 50 50 ILE CG1 C 13 27.733 0.300 . 1 . . . . 50 ILE CG1 . 11240 1 548 . 1 1 50 50 ILE CG2 C 13 17.559 0.300 . 1 . . . . 50 ILE CG2 . 11240 1 549 . 1 1 50 50 ILE N N 15 119.824 0.300 . 1 . . . . 50 ILE N . 11240 1 550 . 1 1 51 51 LEU H H 1 8.105 0.030 . 1 . . . . 51 LEU H . 11240 1 551 . 1 1 51 51 LEU HA H 1 4.048 0.030 . 1 . . . . 51 LEU HA . 11240 1 552 . 1 1 51 51 LEU HB2 H 1 1.787 0.030 . 2 . . . . 51 LEU HB2 . 11240 1 553 . 1 1 51 51 LEU HB3 H 1 1.581 0.030 . 2 . . . . 51 LEU HB3 . 11240 1 554 . 1 1 51 51 LEU HD11 H 1 0.881 0.030 . 1 . . . . 51 LEU HD1 . 11240 1 555 . 1 1 51 51 LEU HD12 H 1 0.881 0.030 . 1 . . . . 51 LEU HD1 . 11240 1 556 . 1 1 51 51 LEU HD13 H 1 0.881 0.030 . 1 . . . . 51 LEU HD1 . 11240 1 557 . 1 1 51 51 LEU HD21 H 1 0.849 0.030 . 1 . . . . 51 LEU HD2 . 11240 1 558 . 1 1 51 51 LEU HD22 H 1 0.849 0.030 . 1 . . . . 51 LEU HD2 . 11240 1 559 . 1 1 51 51 LEU HD23 H 1 0.849 0.030 . 1 . . . . 51 LEU HD2 . 11240 1 560 . 1 1 51 51 LEU HG H 1 1.763 0.030 . 1 . . . . 51 LEU HG . 11240 1 561 . 1 1 51 51 LEU C C 13 179.876 0.300 . 1 . . . . 51 LEU C . 11240 1 562 . 1 1 51 51 LEU CA C 13 58.272 0.300 . 1 . . . . 51 LEU CA . 11240 1 563 . 1 1 51 51 LEU CB C 13 40.397 0.300 . 1 . . . . 51 LEU CB . 11240 1 564 . 1 1 51 51 LEU CD1 C 13 25.371 0.300 . 2 . . . . 51 LEU CD1 . 11240 1 565 . 1 1 51 51 LEU CD2 C 13 22.043 0.300 . 2 . . . . 51 LEU CD2 . 11240 1 566 . 1 1 51 51 LEU CG C 13 26.959 0.300 . 1 . . . . 51 LEU CG . 11240 1 567 . 1 1 51 51 LEU N N 15 118.858 0.300 . 1 . . . . 51 LEU N . 11240 1 568 . 1 1 52 52 ASN H H 1 8.371 0.030 . 1 . . . . 52 ASN H . 11240 1 569 . 1 1 52 52 ASN HA H 1 4.527 0.030 . 1 . . . . 52 ASN HA . 11240 1 570 . 1 1 52 52 ASN HB2 H 1 2.955 0.030 . 2 . . . . 52 ASN HB2 . 11240 1 571 . 1 1 52 52 ASN HB3 H 1 2.836 0.030 . 2 . . . . 52 ASN HB3 . 11240 1 572 . 1 1 52 52 ASN HD21 H 1 7.773 0.030 . 2 . . . . 52 ASN HD21 . 11240 1 573 . 1 1 52 52 ASN HD22 H 1 6.962 0.030 . 2 . . . . 52 ASN HD22 . 11240 1 574 . 1 1 52 52 ASN C C 13 177.057 0.300 . 1 . . . . 52 ASN C . 11240 1 575 . 1 1 52 52 ASN CA C 13 56.116 0.300 . 1 . . . . 52 ASN CA . 11240 1 576 . 1 1 52 52 ASN CB C 13 38.563 0.300 . 1 . . . . 52 ASN CB . 11240 1 577 . 1 1 52 52 ASN N N 15 117.673 0.300 . 1 . . . . 52 ASN N . 11240 1 578 . 1 1 52 52 ASN ND2 N 15 112.694 0.300 . 1 . . . . 52 ASN ND2 . 11240 1 579 . 1 1 53 53 TYR H H 1 7.775 0.030 . 1 . . . . 53 TYR H . 11240 1 580 . 1 1 53 53 TYR HA H 1 4.146 0.030 . 1 . . . . 53 TYR HA . 11240 1 581 . 1 1 53 53 TYR HB2 H 1 3.202 0.030 . 2 . . . . 53 TYR HB2 . 11240 1 582 . 1 1 53 53 TYR HB3 H 1 3.283 0.030 . 2 . . . . 53 TYR HB3 . 11240 1 583 . 1 1 53 53 TYR HD1 H 1 7.033 0.030 . 1 . . . . 53 TYR HD1 . 11240 1 584 . 1 1 53 53 TYR HD2 H 1 7.033 0.030 . 1 . . . . 53 TYR HD2 . 11240 1 585 . 1 1 53 53 TYR HE1 H 1 6.816 0.030 . 1 . . . . 53 TYR HE1 . 11240 1 586 . 1 1 53 53 TYR HE2 H 1 6.816 0.030 . 1 . . . . 53 TYR HE2 . 11240 1 587 . 1 1 53 53 TYR C C 13 178.060 0.300 . 1 . . . . 53 TYR C . 11240 1 588 . 1 1 53 53 TYR CA C 13 61.717 0.300 . 1 . . . . 53 TYR CA . 11240 1 589 . 1 1 53 53 TYR CB C 13 38.601 0.300 . 1 . . . . 53 TYR CB . 11240 1 590 . 1 1 53 53 TYR CD1 C 13 133.183 0.300 . 1 . . . . 53 TYR CD1 . 11240 1 591 . 1 1 53 53 TYR CD2 C 13 133.183 0.300 . 1 . . . . 53 TYR CD2 . 11240 1 592 . 1 1 53 53 TYR CE1 C 13 118.677 0.300 . 1 . . . . 53 TYR CE1 . 11240 1 593 . 1 1 53 53 TYR CE2 C 13 118.677 0.300 . 1 . . . . 53 TYR CE2 . 11240 1 594 . 1 1 53 53 TYR N N 15 121.815 0.300 . 1 . . . . 53 TYR N . 11240 1 595 . 1 1 54 54 LEU H H 1 8.304 0.030 . 1 . . . . 54 LEU H . 11240 1 596 . 1 1 54 54 LEU HA H 1 4.027 0.030 . 1 . . . . 54 LEU HA . 11240 1 597 . 1 1 54 54 LEU HB2 H 1 1.889 0.030 . 2 . . . . 54 LEU HB2 . 11240 1 598 . 1 1 54 54 LEU HB3 H 1 1.694 0.030 . 2 . . . . 54 LEU HB3 . 11240 1 599 . 1 1 54 54 LEU HD11 H 1 0.879 0.030 . 1 . . . . 54 LEU HD1 . 11240 1 600 . 1 1 54 54 LEU HD12 H 1 0.879 0.030 . 1 . . . . 54 LEU HD1 . 11240 1 601 . 1 1 54 54 LEU HD13 H 1 0.879 0.030 . 1 . . . . 54 LEU HD1 . 11240 1 602 . 1 1 54 54 LEU HD21 H 1 0.943 0.030 . 1 . . . . 54 LEU HD2 . 11240 1 603 . 1 1 54 54 LEU HD22 H 1 0.943 0.030 . 1 . . . . 54 LEU HD2 . 11240 1 604 . 1 1 54 54 LEU HD23 H 1 0.943 0.030 . 1 . . . . 54 LEU HD2 . 11240 1 605 . 1 1 54 54 LEU HG H 1 1.855 0.030 . 1 . . . . 54 LEU HG . 11240 1 606 . 1 1 54 54 LEU C C 13 179.385 0.300 . 1 . . . . 54 LEU C . 11240 1 607 . 1 1 54 54 LEU CA C 13 57.583 0.300 . 1 . . . . 54 LEU CA . 11240 1 608 . 1 1 54 54 LEU CB C 13 42.269 0.300 . 1 . . . . 54 LEU CB . 11240 1 609 . 1 1 54 54 LEU CD1 C 13 25.183 0.300 . 2 . . . . 54 LEU CD1 . 11240 1 610 . 1 1 54 54 LEU CD2 C 13 23.868 0.300 . 2 . . . . 54 LEU CD2 . 11240 1 611 . 1 1 54 54 LEU CG C 13 26.802 0.300 . 1 . . . . 54 LEU CG . 11240 1 612 . 1 1 54 54 LEU N N 15 119.398 0.300 . 1 . . . . 54 LEU N . 11240 1 613 . 1 1 55 55 GLU H H 1 7.973 0.030 . 1 . . . . 55 GLU H . 11240 1 614 . 1 1 55 55 GLU HA H 1 4.071 0.030 . 1 . . . . 55 GLU HA . 11240 1 615 . 1 1 55 55 GLU HB2 H 1 2.132 0.030 . 1 . . . . 55 GLU HB2 . 11240 1 616 . 1 1 55 55 GLU HB3 H 1 2.132 0.030 . 1 . . . . 55 GLU HB3 . 11240 1 617 . 1 1 55 55 GLU HG2 H 1 2.382 0.030 . 2 . . . . 55 GLU HG2 . 11240 1 618 . 1 1 55 55 GLU HG3 H 1 2.248 0.030 . 2 . . . . 55 GLU HG3 . 11240 1 619 . 1 1 55 55 GLU C C 13 178.356 0.300 . 1 . . . . 55 GLU C . 11240 1 620 . 1 1 55 55 GLU CA C 13 58.755 0.300 . 1 . . . . 55 GLU CA . 11240 1 621 . 1 1 55 55 GLU CB C 13 29.809 0.300 . 1 . . . . 55 GLU CB . 11240 1 622 . 1 1 55 55 GLU CG C 13 36.360 0.300 . 1 . . . . 55 GLU CG . 11240 1 623 . 1 1 55 55 GLU N N 15 119.412 0.300 . 1 . . . . 55 GLU N . 11240 1 624 . 1 1 56 56 LYS H H 1 7.733 0.030 . 1 . . . . 56 LYS H . 11240 1 625 . 1 1 56 56 LYS HA H 1 4.157 0.030 . 1 . . . . 56 LYS HA . 11240 1 626 . 1 1 56 56 LYS HB2 H 1 1.829 0.030 . 1 . . . . 56 LYS HB2 . 11240 1 627 . 1 1 56 56 LYS HB3 H 1 1.829 0.030 . 1 . . . . 56 LYS HB3 . 11240 1 628 . 1 1 56 56 LYS HD2 H 1 1.649 0.030 . 1 . . . . 56 LYS HD2 . 11240 1 629 . 1 1 56 56 LYS HD3 H 1 1.649 0.030 . 1 . . . . 56 LYS HD3 . 11240 1 630 . 1 1 56 56 LYS HE2 H 1 2.960 0.030 . 1 . . . . 56 LYS HE2 . 11240 1 631 . 1 1 56 56 LYS HE3 H 1 2.960 0.030 . 1 . . . . 56 LYS HE3 . 11240 1 632 . 1 1 56 56 LYS HG2 H 1 1.509 0.030 . 2 . . . . 56 LYS HG2 . 11240 1 633 . 1 1 56 56 LYS HG3 H 1 1.441 0.030 . 2 . . . . 56 LYS HG3 . 11240 1 634 . 1 1 56 56 LYS C C 13 177.885 0.300 . 1 . . . . 56 LYS C . 11240 1 635 . 1 1 56 56 LYS CA C 13 57.555 0.300 . 1 . . . . 56 LYS CA . 11240 1 636 . 1 1 56 56 LYS CB C 13 32.464 0.300 . 1 . . . . 56 LYS CB . 11240 1 637 . 1 1 56 56 LYS CD C 13 29.004 0.300 . 1 . . . . 56 LYS CD . 11240 1 638 . 1 1 56 56 LYS CE C 13 42.284 0.300 . 1 . . . . 56 LYS CE . 11240 1 639 . 1 1 56 56 LYS CG C 13 25.088 0.300 . 1 . . . . 56 LYS CG . 11240 1 640 . 1 1 56 56 LYS N N 15 118.300 0.300 . 1 . . . . 56 LYS N . 11240 1 641 . 1 1 57 57 GLN H H 1 7.904 0.030 . 1 . . . . 57 GLN H . 11240 1 642 . 1 1 57 57 GLN HA H 1 4.188 0.030 . 1 . . . . 57 GLN HA . 11240 1 643 . 1 1 57 57 GLN HB2 H 1 2.106 0.030 . 2 . . . . 57 GLN HB2 . 11240 1 644 . 1 1 57 57 GLN HB3 H 1 1.943 0.030 . 2 . . . . 57 GLN HB3 . 11240 1 645 . 1 1 57 57 GLN HE21 H 1 7.090 0.030 . 2 . . . . 57 GLN HE21 . 11240 1 646 . 1 1 57 57 GLN HE22 H 1 6.761 0.030 . 2 . . . . 57 GLN HE22 . 11240 1 647 . 1 1 57 57 GLN HG2 H 1 2.205 0.030 . 1 . . . . 57 GLN HG2 . 11240 1 648 . 1 1 57 57 GLN HG3 H 1 2.205 0.030 . 1 . . . . 57 GLN HG3 . 11240 1 649 . 1 1 57 57 GLN C C 13 177.055 0.300 . 1 . . . . 57 GLN C . 11240 1 650 . 1 1 57 57 GLN CA C 13 56.585 0.300 . 1 . . . . 57 GLN CA . 11240 1 651 . 1 1 57 57 GLN CB C 13 28.965 0.300 . 1 . . . . 57 GLN CB . 11240 1 652 . 1 1 57 57 GLN CG C 13 33.598 0.300 . 1 . . . . 57 GLN CG . 11240 1 653 . 1 1 57 57 GLN N N 15 118.211 0.300 . 1 . . . . 57 GLN N . 11240 1 654 . 1 1 57 57 GLN NE2 N 15 111.990 0.300 . 1 . . . . 57 GLN NE2 . 11240 1 655 . 1 1 58 58 THR H H 1 7.967 0.030 . 1 . . . . 58 THR H . 11240 1 656 . 1 1 58 58 THR HA H 1 4.291 0.030 . 1 . . . . 58 THR HA . 11240 1 657 . 1 1 58 58 THR HB H 1 4.274 0.030 . 1 . . . . 58 THR HB . 11240 1 658 . 1 1 58 58 THR HG21 H 1 1.246 0.030 . 1 . . . . 58 THR HG2 . 11240 1 659 . 1 1 58 58 THR HG22 H 1 1.246 0.030 . 1 . . . . 58 THR HG2 . 11240 1 660 . 1 1 58 58 THR HG23 H 1 1.246 0.030 . 1 . . . . 58 THR HG2 . 11240 1 661 . 1 1 58 58 THR C C 13 175.480 0.300 . 1 . . . . 58 THR C . 11240 1 662 . 1 1 58 58 THR CA C 13 62.874 0.300 . 1 . . . . 58 THR CA . 11240 1 663 . 1 1 58 58 THR CB C 13 69.935 0.300 . 1 . . . . 58 THR CB . 11240 1 664 . 1 1 58 58 THR CG2 C 13 21.543 0.300 . 1 . . . . 58 THR CG2 . 11240 1 665 . 1 1 58 58 THR N N 15 112.668 0.300 . 1 . . . . 58 THR N . 11240 1 666 . 1 1 59 59 GLY H H 1 8.198 0.030 . 1 . . . . 59 GLY H . 11240 1 667 . 1 1 59 59 GLY HA2 H 1 3.961 0.030 . 1 . . . . 59 GLY HA2 . 11240 1 668 . 1 1 59 59 GLY HA3 H 1 3.961 0.030 . 1 . . . . 59 GLY HA3 . 11240 1 669 . 1 1 59 59 GLY C C 13 173.742 0.300 . 1 . . . . 59 GLY C . 11240 1 670 . 1 1 59 59 GLY CA C 13 45.503 0.300 . 1 . . . . 59 GLY CA . 11240 1 671 . 1 1 59 59 GLY N N 15 110.825 0.300 . 1 . . . . 59 GLY N . 11240 1 672 . 1 1 60 60 ALA H H 1 7.941 0.030 . 1 . . . . 60 ALA H . 11240 1 673 . 1 1 60 60 ALA HA H 1 4.317 0.030 . 1 . . . . 60 ALA HA . 11240 1 674 . 1 1 60 60 ALA HB1 H 1 1.343 0.030 . 1 . . . . 60 ALA HB . 11240 1 675 . 1 1 60 60 ALA HB2 H 1 1.343 0.030 . 1 . . . . 60 ALA HB . 11240 1 676 . 1 1 60 60 ALA HB3 H 1 1.343 0.030 . 1 . . . . 60 ALA HB . 11240 1 677 . 1 1 60 60 ALA C C 13 177.296 0.300 . 1 . . . . 60 ALA C . 11240 1 678 . 1 1 60 60 ALA CA C 13 52.438 0.300 . 1 . . . . 60 ALA CA . 11240 1 679 . 1 1 60 60 ALA CB C 13 19.492 0.300 . 1 . . . . 60 ALA CB . 11240 1 680 . 1 1 60 60 ALA N N 15 123.329 0.300 . 1 . . . . 60 ALA N . 11240 1 681 . 1 1 61 61 ILE H H 1 8.068 0.030 . 1 . . . . 61 ILE H . 11240 1 682 . 1 1 61 61 ILE HA H 1 4.142 0.030 . 1 . . . . 61 ILE HA . 11240 1 683 . 1 1 61 61 ILE HB H 1 1.827 0.030 . 1 . . . . 61 ILE HB . 11240 1 684 . 1 1 61 61 ILE HD11 H 1 0.837 0.030 . 1 . . . . 61 ILE HD1 . 11240 1 685 . 1 1 61 61 ILE HD12 H 1 0.837 0.030 . 1 . . . . 61 ILE HD1 . 11240 1 686 . 1 1 61 61 ILE HD13 H 1 0.837 0.030 . 1 . . . . 61 ILE HD1 . 11240 1 687 . 1 1 61 61 ILE HG12 H 1 1.476 0.030 . 2 . . . . 61 ILE HG12 . 11240 1 688 . 1 1 61 61 ILE HG13 H 1 1.172 0.030 . 2 . . . . 61 ILE HG13 . 11240 1 689 . 1 1 61 61 ILE HG21 H 1 0.865 0.030 . 1 . . . . 61 ILE HG2 . 11240 1 690 . 1 1 61 61 ILE HG22 H 1 0.865 0.030 . 1 . . . . 61 ILE HG2 . 11240 1 691 . 1 1 61 61 ILE HG23 H 1 0.865 0.030 . 1 . . . . 61 ILE HG2 . 11240 1 692 . 1 1 61 61 ILE C C 13 176.087 0.300 . 1 . . . . 61 ILE C . 11240 1 693 . 1 1 61 61 ILE CA C 13 60.838 0.300 . 1 . . . . 61 ILE CA . 11240 1 694 . 1 1 61 61 ILE CB C 13 38.649 0.300 . 1 . . . . 61 ILE CB . 11240 1 695 . 1 1 61 61 ILE CD1 C 13 12.740 0.300 . 1 . . . . 61 ILE CD1 . 11240 1 696 . 1 1 61 61 ILE CG1 C 13 27.250 0.300 . 1 . . . . 61 ILE CG1 . 11240 1 697 . 1 1 61 61 ILE CG2 C 13 17.541 0.300 . 1 . . . . 61 ILE CG2 . 11240 1 698 . 1 1 61 61 ILE N N 15 120.169 0.300 . 1 . . . . 61 ILE N . 11240 1 699 . 1 1 62 62 LEU H H 1 8.350 0.030 . 1 . . . . 62 LEU H . 11240 1 700 . 1 1 62 62 LEU HA H 1 4.650 0.030 . 1 . . . . 62 LEU HA . 11240 1 701 . 1 1 62 62 LEU HB2 H 1 1.585 0.030 . 2 . . . . 62 LEU HB2 . 11240 1 702 . 1 1 62 62 LEU HB3 H 1 1.531 0.030 . 2 . . . . 62 LEU HB3 . 11240 1 703 . 1 1 62 62 LEU HD11 H 1 0.930 0.030 . 1 . . . . 62 LEU HD1 . 11240 1 704 . 1 1 62 62 LEU HD12 H 1 0.930 0.030 . 1 . . . . 62 LEU HD1 . 11240 1 705 . 1 1 62 62 LEU HD13 H 1 0.930 0.030 . 1 . . . . 62 LEU HD1 . 11240 1 706 . 1 1 62 62 LEU HD21 H 1 0.891 0.030 . 1 . . . . 62 LEU HD2 . 11240 1 707 . 1 1 62 62 LEU HD22 H 1 0.891 0.030 . 1 . . . . 62 LEU HD2 . 11240 1 708 . 1 1 62 62 LEU HD23 H 1 0.891 0.030 . 1 . . . . 62 LEU HD2 . 11240 1 709 . 1 1 62 62 LEU HG H 1 1.653 0.030 . 1 . . . . 62 LEU HG . 11240 1 710 . 1 1 62 62 LEU C C 13 174.550 0.300 . 1 . . . . 62 LEU C . 11240 1 711 . 1 1 62 62 LEU CA C 13 52.767 0.300 . 1 . . . . 62 LEU CA . 11240 1 712 . 1 1 62 62 LEU CB C 13 41.726 0.300 . 1 . . . . 62 LEU CB . 11240 1 713 . 1 1 62 62 LEU CD1 C 13 25.243 0.300 . 2 . . . . 62 LEU CD1 . 11240 1 714 . 1 1 62 62 LEU CD2 C 13 23.491 0.300 . 2 . . . . 62 LEU CD2 . 11240 1 715 . 1 1 62 62 LEU CG C 13 27.097 0.300 . 1 . . . . 62 LEU CG . 11240 1 716 . 1 1 62 62 LEU N N 15 128.519 0.300 . 1 . . . . 62 LEU N . 11240 1 717 . 1 1 63 63 PRO HA H 1 4.694 0.030 . 1 . . . . 63 PRO HA . 11240 1 718 . 1 1 63 63 PRO HB2 H 1 2.350 0.030 . 2 . . . . 63 PRO HB2 . 11240 1 719 . 1 1 63 63 PRO HB3 H 1 1.902 0.030 . 2 . . . . 63 PRO HB3 . 11240 1 720 . 1 1 63 63 PRO HD2 H 1 3.870 0.030 . 2 . . . . 63 PRO HD2 . 11240 1 721 . 1 1 63 63 PRO HD3 H 1 3.615 0.030 . 2 . . . . 63 PRO HD3 . 11240 1 722 . 1 1 63 63 PRO HG2 H 1 2.032 0.030 . 1 . . . . 63 PRO HG2 . 11240 1 723 . 1 1 63 63 PRO HG3 H 1 2.032 0.030 . 1 . . . . 63 PRO HG3 . 11240 1 724 . 1 1 63 63 PRO CA C 13 61.379 0.300 . 1 . . . . 63 PRO CA . 11240 1 725 . 1 1 63 63 PRO CB C 13 30.842 0.300 . 1 . . . . 63 PRO CB . 11240 1 726 . 1 1 63 63 PRO CD C 13 50.547 0.300 . 1 . . . . 63 PRO CD . 11240 1 727 . 1 1 63 63 PRO CG C 13 27.391 0.300 . 1 . . . . 63 PRO CG . 11240 1 728 . 1 1 64 64 PRO HA H 1 4.455 0.030 . 1 . . . . 64 PRO HA . 11240 1 729 . 1 1 64 64 PRO HB2 H 1 2.309 0.030 . 2 . . . . 64 PRO HB2 . 11240 1 730 . 1 1 64 64 PRO HB3 H 1 1.952 0.030 . 2 . . . . 64 PRO HB3 . 11240 1 731 . 1 1 64 64 PRO HD2 H 1 3.827 0.030 . 2 . . . . 64 PRO HD2 . 11240 1 732 . 1 1 64 64 PRO HD3 H 1 3.646 0.030 . 2 . . . . 64 PRO HD3 . 11240 1 733 . 1 1 64 64 PRO HG2 H 1 2.046 0.030 . 1 . . . . 64 PRO HG2 . 11240 1 734 . 1 1 64 64 PRO HG3 H 1 2.046 0.030 . 1 . . . . 64 PRO HG3 . 11240 1 735 . 1 1 64 64 PRO C C 13 177.087 0.300 . 1 . . . . 64 PRO C . 11240 1 736 . 1 1 64 64 PRO CA C 13 63.145 0.300 . 1 . . . . 64 PRO CA . 11240 1 737 . 1 1 64 64 PRO CB C 13 32.072 0.300 . 1 . . . . 64 PRO CB . 11240 1 738 . 1 1 64 64 PRO CD C 13 50.455 0.300 . 1 . . . . 64 PRO CD . 11240 1 739 . 1 1 64 64 PRO CG C 13 27.384 0.300 . 1 . . . . 64 PRO CG . 11240 1 740 . 1 1 65 65 SER H H 1 8.384 0.030 . 1 . . . . 65 SER H . 11240 1 741 . 1 1 65 65 SER HA H 1 4.467 0.030 . 1 . . . . 65 SER HA . 11240 1 742 . 1 1 65 65 SER HB2 H 1 3.868 0.030 . 2 . . . . 65 SER HB2 . 11240 1 743 . 1 1 65 65 SER HB3 H 1 3.907 0.030 . 2 . . . . 65 SER HB3 . 11240 1 744 . 1 1 65 65 SER C C 13 174.679 0.300 . 1 . . . . 65 SER C . 11240 1 745 . 1 1 65 65 SER CA C 13 58.258 0.300 . 1 . . . . 65 SER CA . 11240 1 746 . 1 1 65 65 SER CB C 13 64.141 0.300 . 1 . . . . 65 SER CB . 11240 1 747 . 1 1 65 65 SER N N 15 115.944 0.300 . 1 . . . . 65 SER N . 11240 1 748 . 1 1 66 66 GLY H H 1 8.236 0.030 . 1 . . . . 66 GLY H . 11240 1 749 . 1 1 66 66 GLY HA2 H 1 4.154 0.030 . 2 . . . . 66 GLY HA2 . 11240 1 750 . 1 1 66 66 GLY HA3 H 1 4.102 0.030 . 2 . . . . 66 GLY HA3 . 11240 1 751 . 1 1 66 66 GLY C C 13 171.776 0.300 . 1 . . . . 66 GLY C . 11240 1 752 . 1 1 66 66 GLY CA C 13 44.686 0.300 . 1 . . . . 66 GLY CA . 11240 1 753 . 1 1 66 66 GLY N N 15 110.629 0.300 . 1 . . . . 66 GLY N . 11240 1 754 . 1 1 67 67 PRO HA H 1 4.489 0.030 . 1 . . . . 67 PRO HA . 11240 1 755 . 1 1 67 67 PRO HB2 H 1 2.298 0.030 . 2 . . . . 67 PRO HB2 . 11240 1 756 . 1 1 67 67 PRO HB3 H 1 1.975 0.030 . 2 . . . . 67 PRO HB3 . 11240 1 757 . 1 1 67 67 PRO HD2 H 1 3.630 0.030 . 1 . . . . 67 PRO HD2 . 11240 1 758 . 1 1 67 67 PRO HD3 H 1 3.630 0.030 . 1 . . . . 67 PRO HD3 . 11240 1 759 . 1 1 67 67 PRO HG2 H 1 2.029 0.030 . 1 . . . . 67 PRO HG2 . 11240 1 760 . 1 1 67 67 PRO HG3 H 1 2.029 0.030 . 1 . . . . 67 PRO HG3 . 11240 1 761 . 1 1 67 67 PRO C C 13 177.381 0.300 . 1 . . . . 67 PRO C . 11240 1 762 . 1 1 67 67 PRO CA C 13 63.277 0.300 . 1 . . . . 67 PRO CA . 11240 1 763 . 1 1 67 67 PRO CB C 13 32.237 0.300 . 1 . . . . 67 PRO CB . 11240 1 764 . 1 1 67 67 PRO CD C 13 49.801 0.300 . 1 . . . . 67 PRO CD . 11240 1 765 . 1 1 67 67 PRO CG C 13 27.154 0.300 . 1 . . . . 67 PRO CG . 11240 1 766 . 1 1 68 68 SER H H 1 8.530 0.030 . 1 . . . . 68 SER H . 11240 1 767 . 1 1 68 68 SER HA H 1 4.507 0.030 . 1 . . . . 68 SER HA . 11240 1 768 . 1 1 68 68 SER HB2 H 1 3.925 0.030 . 1 . . . . 68 SER HB2 . 11240 1 769 . 1 1 68 68 SER HB3 H 1 3.925 0.030 . 1 . . . . 68 SER HB3 . 11240 1 770 . 1 1 68 68 SER C C 13 174.692 0.300 . 1 . . . . 68 SER C . 11240 1 771 . 1 1 68 68 SER CA C 13 58.346 0.300 . 1 . . . . 68 SER CA . 11240 1 772 . 1 1 68 68 SER CB C 13 63.929 0.300 . 1 . . . . 68 SER CB . 11240 1 773 . 1 1 68 68 SER N N 15 116.389 0.300 . 1 . . . . 68 SER N . 11240 1 774 . 1 1 69 69 SER H H 1 8.335 0.030 . 1 . . . . 69 SER H . 11240 1 775 . 1 1 69 69 SER HA H 1 4.504 0.030 . 1 . . . . 69 SER HA . 11240 1 776 . 1 1 69 69 SER HB2 H 1 3.901 0.030 . 1 . . . . 69 SER HB2 . 11240 1 777 . 1 1 69 69 SER HB3 H 1 3.901 0.030 . 1 . . . . 69 SER HB3 . 11240 1 778 . 1 1 69 69 SER C C 13 173.935 0.300 . 1 . . . . 69 SER C . 11240 1 779 . 1 1 69 69 SER CA C 13 58.343 0.300 . 1 . . . . 69 SER CA . 11240 1 780 . 1 1 69 69 SER CB C 13 64.081 0.300 . 1 . . . . 69 SER CB . 11240 1 781 . 1 1 69 69 SER N N 15 117.841 0.300 . 1 . . . . 69 SER N . 11240 1 782 . 1 1 70 70 GLY H H 1 8.049 0.030 . 1 . . . . 70 GLY H . 11240 1 783 . 1 1 70 70 GLY HA2 H 1 3.787 0.030 . 1 . . . . 70 GLY HA2 . 11240 1 784 . 1 1 70 70 GLY HA3 H 1 3.787 0.030 . 1 . . . . 70 GLY HA3 . 11240 1 785 . 1 1 70 70 GLY C C 13 179.008 0.300 . 1 . . . . 70 GLY C . 11240 1 786 . 1 1 70 70 GLY CA C 13 46.251 0.300 . 1 . . . . 70 GLY CA . 11240 1 787 . 1 1 70 70 GLY N N 15 116.857 0.300 . 1 . . . . 70 GLY N . 11240 1 stop_ save_