data_11402 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11402 _Entry.Title ; Solution structure of chromo domain 2 in Chromodomain-helicase-DNA-binding protein 6 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-09-09 _Entry.Accession_date 2010-09-09 _Entry.Last_release_date 2011-09-08 _Entry.Original_release_date 2011-09-08 _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 K. Tsuda . . . 11402 2 Y. Muto . . . 11402 3 M. Inoue . . . 11402 4 T. Kigawa . . . 11402 5 T. Terada . . . 11402 6 M. Shirouzu . . . 11402 7 S. Yokoyama . . . 11402 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)' . 11402 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11402 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 287 11402 '15N chemical shifts' 63 11402 '1H chemical shifts' 441 11402 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 . . 2011-09-08 2010-09-09 original author . 11402 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11402 _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 chromo domain 2 in Chromodomain-helicase-DNA-binding protein 6 ; _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 K. Tsuda . . . 11402 1 2 Y. Muto . . . 11402 1 3 M. Inoue . . . 11402 1 4 T. Kigawa . . . 11402 1 5 T. Terada . . . 11402 1 6 M. Shirouzu . . . 11402 1 7 S. Yokoyama . . . 11402 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11402 _Assembly.ID 1 _Assembly.Name 'Chromodomain-helicase-DNA-binding protein 6' _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.3.6.1.- _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 'Chromo domain, UNP residues 371-431' 1 $entity_1 A . yes native no no . . . 11402 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 2epb . . . . . . 11402 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11402 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Chromo domain, UNP residues 371-431' _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 ; GSSGSSGNPDYVEVDRILEV AHTKDAETGEEVTHYLVKWC SLPYEESTWELEEDVDPAKV KEFESLQV ; _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 68 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 2EPB . "Solution Structure Of Chromo Domain 2 In Chromodomain- Helicase-Dna-Binding Protein 6" . . . . . 100.00 68 100.00 100.00 4.86e-40 . . . . 11402 1 2 no DBJ BAG59500 . "unnamed protein product [Homo sapiens]" . . . . . 89.71 1014 100.00 100.00 3.97e-32 . . . . 11402 1 3 no GB AAI72397 . "Chromodomain helicase DNA binding protein 6 [synthetic construct]" . . . . . 89.71 2715 100.00 100.00 8.99e-32 . . . . 11402 1 4 no GB AAK56405 . "chromodomain helicase DNA binding protein 5 [Homo sapiens]" . . . . . 89.71 2713 100.00 100.00 9.08e-32 . . . . 11402 1 5 no GB AAN59903 . "RIGB [Homo sapiens]" . . . . . 89.71 488 100.00 100.00 4.01e-32 . . . . 11402 1 6 no GB EAW75974 . "chromodomain helicase DNA binding protein 6, isoform CRA_a [Homo sapiens]" . . . . . 89.71 952 100.00 100.00 4.56e-32 . . . . 11402 1 7 no GB EAW75975 . "chromodomain helicase DNA binding protein 6, isoform CRA_b [Homo sapiens]" . . . . . 89.71 2715 100.00 100.00 8.99e-32 . . . . 11402 1 8 no REF NP_001230229 . "chromodomain-helicase-DNA-binding protein 6 [Bos taurus]" . . . . . 89.71 2721 100.00 100.00 1.10e-31 . . . . 11402 1 9 no REF NP_115597 . "chromodomain-helicase-DNA-binding protein 6 [Homo sapiens]" . . . . . 89.71 2715 100.00 100.00 8.99e-32 . . . . 11402 1 10 no REF XP_001502820 . "PREDICTED: chromodomain-helicase-DNA-binding protein 6 [Equus caballus]" . . . . . 89.71 2717 100.00 100.00 9.62e-32 . . . . 11402 1 11 no REF XP_002721122 . "PREDICTED: chromodomain-helicase-DNA-binding protein 6 [Oryctolagus cuniculus]" . . . . . 89.71 2717 100.00 100.00 1.07e-31 . . . . 11402 1 12 no REF XP_002806815 . "PREDICTED: LOW QUALITY PROTEIN: chromodomain-helicase-DNA-binding protein 6 [Callithrix jacchus]" . . . . . 89.71 2714 100.00 100.00 8.57e-32 . . . . 11402 1 13 no SP Q8TD26 . "RecName: Full=Chromodomain-helicase-DNA-binding protein 6; Short=CHD-6; AltName: Full=ATP-dependent helicase CHD6; AltName: Ful" . . . . . 89.71 2715 100.00 100.00 8.99e-32 . . . . 11402 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Chromo domain, UNP residues 371-431' . 11402 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 . 11402 1 2 . SER . 11402 1 3 . SER . 11402 1 4 . GLY . 11402 1 5 . SER . 11402 1 6 . SER . 11402 1 7 . GLY . 11402 1 8 . ASN . 11402 1 9 . PRO . 11402 1 10 . ASP . 11402 1 11 . TYR . 11402 1 12 . VAL . 11402 1 13 . GLU . 11402 1 14 . VAL . 11402 1 15 . ASP . 11402 1 16 . ARG . 11402 1 17 . ILE . 11402 1 18 . LEU . 11402 1 19 . GLU . 11402 1 20 . VAL . 11402 1 21 . ALA . 11402 1 22 . HIS . 11402 1 23 . THR . 11402 1 24 . LYS . 11402 1 25 . ASP . 11402 1 26 . ALA . 11402 1 27 . GLU . 11402 1 28 . THR . 11402 1 29 . GLY . 11402 1 30 . GLU . 11402 1 31 . GLU . 11402 1 32 . VAL . 11402 1 33 . THR . 11402 1 34 . HIS . 11402 1 35 . TYR . 11402 1 36 . LEU . 11402 1 37 . VAL . 11402 1 38 . LYS . 11402 1 39 . TRP . 11402 1 40 . CYS . 11402 1 41 . SER . 11402 1 42 . LEU . 11402 1 43 . PRO . 11402 1 44 . TYR . 11402 1 45 . GLU . 11402 1 46 . GLU . 11402 1 47 . SER . 11402 1 48 . THR . 11402 1 49 . TRP . 11402 1 50 . GLU . 11402 1 51 . LEU . 11402 1 52 . GLU . 11402 1 53 . GLU . 11402 1 54 . ASP . 11402 1 55 . VAL . 11402 1 56 . ASP . 11402 1 57 . PRO . 11402 1 58 . ALA . 11402 1 59 . LYS . 11402 1 60 . VAL . 11402 1 61 . LYS . 11402 1 62 . GLU . 11402 1 63 . PHE . 11402 1 64 . GLU . 11402 1 65 . SER . 11402 1 66 . LEU . 11402 1 67 . GLN . 11402 1 68 . VAL . 11402 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 11402 1 . SER 2 2 11402 1 . SER 3 3 11402 1 . GLY 4 4 11402 1 . SER 5 5 11402 1 . SER 6 6 11402 1 . GLY 7 7 11402 1 . ASN 8 8 11402 1 . PRO 9 9 11402 1 . ASP 10 10 11402 1 . TYR 11 11 11402 1 . VAL 12 12 11402 1 . GLU 13 13 11402 1 . VAL 14 14 11402 1 . ASP 15 15 11402 1 . ARG 16 16 11402 1 . ILE 17 17 11402 1 . LEU 18 18 11402 1 . GLU 19 19 11402 1 . VAL 20 20 11402 1 . ALA 21 21 11402 1 . HIS 22 22 11402 1 . THR 23 23 11402 1 . LYS 24 24 11402 1 . ASP 25 25 11402 1 . ALA 26 26 11402 1 . GLU 27 27 11402 1 . THR 28 28 11402 1 . GLY 29 29 11402 1 . GLU 30 30 11402 1 . GLU 31 31 11402 1 . VAL 32 32 11402 1 . THR 33 33 11402 1 . HIS 34 34 11402 1 . TYR 35 35 11402 1 . LEU 36 36 11402 1 . VAL 37 37 11402 1 . LYS 38 38 11402 1 . TRP 39 39 11402 1 . CYS 40 40 11402 1 . SER 41 41 11402 1 . LEU 42 42 11402 1 . PRO 43 43 11402 1 . TYR 44 44 11402 1 . GLU 45 45 11402 1 . GLU 46 46 11402 1 . SER 47 47 11402 1 . THR 48 48 11402 1 . TRP 49 49 11402 1 . GLU 50 50 11402 1 . LEU 51 51 11402 1 . GLU 52 52 11402 1 . GLU 53 53 11402 1 . ASP 54 54 11402 1 . VAL 55 55 11402 1 . ASP 56 56 11402 1 . PRO 57 57 11402 1 . ALA 58 58 11402 1 . LYS 59 59 11402 1 . VAL 60 60 11402 1 . LYS 61 61 11402 1 . GLU 62 62 11402 1 . PHE 63 63 11402 1 . GLU 64 64 11402 1 . SER 65 65 11402 1 . LEU 66 66 11402 1 . GLN 67 67 11402 1 . VAL 68 68 11402 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 11402 _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 . . . . . . . . . . . . . . . . . . . . . 11402 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 11402 _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 . . P060904-12 . . . . . . 11402 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11402 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.16mM 13C-15N {PROTEIN;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O ; _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 'Chromo domain, UNP residues 371-431' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.16 . . mM . . . . 11402 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11402 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11402 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11402 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11402 1 6 H2O . . . . . . solvent 90 . . % . . . . 11402 1 7 D2O . . . . . . solvent 10 . . % . . . . 11402 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 11402 _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 11402 1 pH 7.0 0.05 pH 11402 1 pressure 1 0.001 atm 11402 1 temperature 298 0.1 K 11402 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11402 _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 . . 11402 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11402 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11402 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20060702 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11402 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11402 2 stop_ save_ save_NMRview _Software.Sf_category software _Software.Sf_framecode NMRview _Software.Entry_ID 11402 _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.' . . 11402 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11402 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11402 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9825 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11402 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11402 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11402 _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.' . . 11402 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11402 5 'structure solution' 11402 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 11402 _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 11402 _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 . . . 11402 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 11402 _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 . . . . . . . . . . . . . . . . 11402 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11402 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 11402 _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 . . . . . . . . . 11402 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11402 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11402 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 11402 _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 11402 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11402 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 $XWINNMR . . 11402 1 2 $NMRPipe . . 11402 1 3 $NMRview . . 11402 1 4 $Kujira . . 11402 1 5 $CYANA . . 11402 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 6 6 SER HA H 1 4.402 0.030 . 1 . . . . 6 SER HA . 11402 1 2 . 1 1 6 6 SER HB2 H 1 3.883 0.030 . 2 . . . . 6 SER HB2 . 11402 1 3 . 1 1 6 6 SER C C 13 174.988 0.300 . 1 . . . . 6 SER C . 11402 1 4 . 1 1 6 6 SER CA C 13 58.855 0.300 . 1 . . . . 6 SER CA . 11402 1 5 . 1 1 6 6 SER CB C 13 63.730 0.300 . 1 . . . . 6 SER CB . 11402 1 6 . 1 1 7 7 GLY H H 1 8.371 0.030 . 1 . . . . 7 GLY H . 11402 1 7 . 1 1 7 7 GLY HA2 H 1 3.936 0.030 . 1 . . . . 7 GLY HA2 . 11402 1 8 . 1 1 7 7 GLY HA3 H 1 3.936 0.030 . 1 . . . . 7 GLY HA3 . 11402 1 9 . 1 1 7 7 GLY C C 13 173.494 0.300 . 1 . . . . 7 GLY C . 11402 1 10 . 1 1 7 7 GLY CA C 13 45.244 0.300 . 1 . . . . 7 GLY CA . 11402 1 11 . 1 1 7 7 GLY N N 15 110.611 0.300 . 1 . . . . 7 GLY N . 11402 1 12 . 1 1 8 8 ASN H H 1 8.140 0.030 . 1 . . . . 8 ASN H . 11402 1 13 . 1 1 8 8 ASN HA H 1 4.944 0.030 . 1 . . . . 8 ASN HA . 11402 1 14 . 1 1 8 8 ASN HB2 H 1 2.764 0.030 . 2 . . . . 8 ASN HB2 . 11402 1 15 . 1 1 8 8 ASN HB3 H 1 2.626 0.030 . 2 . . . . 8 ASN HB3 . 11402 1 16 . 1 1 8 8 ASN HD21 H 1 7.518 0.030 . 2 . . . . 8 ASN HD21 . 11402 1 17 . 1 1 8 8 ASN HD22 H 1 6.978 0.030 . 2 . . . . 8 ASN HD22 . 11402 1 18 . 1 1 8 8 ASN C C 13 173.816 0.300 . 1 . . . . 8 ASN C . 11402 1 19 . 1 1 8 8 ASN CA C 13 51.118 0.300 . 1 . . . . 8 ASN CA . 11402 1 20 . 1 1 8 8 ASN CB C 13 38.962 0.300 . 1 . . . . 8 ASN CB . 11402 1 21 . 1 1 8 8 ASN N N 15 119.769 0.300 . 1 . . . . 8 ASN N . 11402 1 22 . 1 1 8 8 ASN ND2 N 15 112.994 0.300 . 1 . . . . 8 ASN ND2 . 11402 1 23 . 1 1 9 9 PRO HA H 1 4.345 0.030 . 1 . . . . 9 PRO HA . 11402 1 24 . 1 1 9 9 PRO HB2 H 1 2.183 0.030 . 2 . . . . 9 PRO HB2 . 11402 1 25 . 1 1 9 9 PRO HB3 H 1 1.785 0.030 . 2 . . . . 9 PRO HB3 . 11402 1 26 . 1 1 9 9 PRO HD2 H 1 3.773 0.030 . 2 . . . . 9 PRO HD2 . 11402 1 27 . 1 1 9 9 PRO HD3 H 1 3.670 0.030 . 2 . . . . 9 PRO HD3 . 11402 1 28 . 1 1 9 9 PRO HG2 H 1 1.959 0.030 . 2 . . . . 9 PRO HG2 . 11402 1 29 . 1 1 9 9 PRO HG3 H 1 1.905 0.030 . 2 . . . . 9 PRO HG3 . 11402 1 30 . 1 1 9 9 PRO C C 13 176.299 0.300 . 1 . . . . 9 PRO C . 11402 1 31 . 1 1 9 9 PRO CA C 13 63.581 0.300 . 1 . . . . 9 PRO CA . 11402 1 32 . 1 1 9 9 PRO CB C 13 31.978 0.300 . 1 . . . . 9 PRO CB . 11402 1 33 . 1 1 9 9 PRO CD C 13 50.727 0.300 . 1 . . . . 9 PRO CD . 11402 1 34 . 1 1 9 9 PRO CG C 13 27.118 0.300 . 1 . . . . 9 PRO CG . 11402 1 35 . 1 1 10 10 ASP H H 1 8.154 0.030 . 1 . . . . 10 ASP H . 11402 1 36 . 1 1 10 10 ASP HA H 1 4.457 0.030 . 1 . . . . 10 ASP HA . 11402 1 37 . 1 1 10 10 ASP HB2 H 1 2.484 0.030 . 2 . . . . 10 ASP HB2 . 11402 1 38 . 1 1 10 10 ASP HB3 H 1 2.353 0.030 . 2 . . . . 10 ASP HB3 . 11402 1 39 . 1 1 10 10 ASP C C 13 175.625 0.300 . 1 . . . . 10 ASP C . 11402 1 40 . 1 1 10 10 ASP CA C 13 54.638 0.300 . 1 . . . . 10 ASP CA . 11402 1 41 . 1 1 10 10 ASP CB C 13 40.967 0.300 . 1 . . . . 10 ASP CB . 11402 1 42 . 1 1 10 10 ASP N N 15 118.878 0.300 . 1 . . . . 10 ASP N . 11402 1 43 . 1 1 11 11 TYR H H 1 7.617 0.030 . 1 . . . . 11 TYR H . 11402 1 44 . 1 1 11 11 TYR HA H 1 4.302 0.030 . 1 . . . . 11 TYR HA . 11402 1 45 . 1 1 11 11 TYR HB2 H 1 2.721 0.030 . 2 . . . . 11 TYR HB2 . 11402 1 46 . 1 1 11 11 TYR HB3 H 1 2.493 0.030 . 2 . . . . 11 TYR HB3 . 11402 1 47 . 1 1 11 11 TYR HD1 H 1 6.705 0.030 . 1 . . . . 11 TYR HD1 . 11402 1 48 . 1 1 11 11 TYR HD2 H 1 6.705 0.030 . 1 . . . . 11 TYR HD2 . 11402 1 49 . 1 1 11 11 TYR HE1 H 1 6.725 0.030 . 1 . . . . 11 TYR HE1 . 11402 1 50 . 1 1 11 11 TYR HE2 H 1 6.725 0.030 . 1 . . . . 11 TYR HE2 . 11402 1 51 . 1 1 11 11 TYR C C 13 175.094 0.300 . 1 . . . . 11 TYR C . 11402 1 52 . 1 1 11 11 TYR CA C 13 57.085 0.300 . 1 . . . . 11 TYR CA . 11402 1 53 . 1 1 11 11 TYR CB C 13 37.991 0.300 . 1 . . . . 11 TYR CB . 11402 1 54 . 1 1 11 11 TYR CD1 C 13 132.882 0.300 . 1 . . . . 11 TYR CD1 . 11402 1 55 . 1 1 11 11 TYR CD2 C 13 132.882 0.300 . 1 . . . . 11 TYR CD2 . 11402 1 56 . 1 1 11 11 TYR CE1 C 13 118.038 0.300 . 1 . . . . 11 TYR CE1 . 11402 1 57 . 1 1 11 11 TYR CE2 C 13 118.038 0.300 . 1 . . . . 11 TYR CE2 . 11402 1 58 . 1 1 11 11 TYR N N 15 119.954 0.300 . 1 . . . . 11 TYR N . 11402 1 59 . 1 1 12 12 VAL H H 1 7.744 0.030 . 1 . . . . 12 VAL H . 11402 1 60 . 1 1 12 12 VAL HA H 1 4.155 0.030 . 1 . . . . 12 VAL HA . 11402 1 61 . 1 1 12 12 VAL HB H 1 1.949 0.030 . 1 . . . . 12 VAL HB . 11402 1 62 . 1 1 12 12 VAL HG11 H 1 0.847 0.030 . 1 . . . . 12 VAL HG1 . 11402 1 63 . 1 1 12 12 VAL HG12 H 1 0.847 0.030 . 1 . . . . 12 VAL HG1 . 11402 1 64 . 1 1 12 12 VAL HG13 H 1 0.847 0.030 . 1 . . . . 12 VAL HG1 . 11402 1 65 . 1 1 12 12 VAL HG21 H 1 0.745 0.030 . 1 . . . . 12 VAL HG2 . 11402 1 66 . 1 1 12 12 VAL HG22 H 1 0.745 0.030 . 1 . . . . 12 VAL HG2 . 11402 1 67 . 1 1 12 12 VAL HG23 H 1 0.745 0.030 . 1 . . . . 12 VAL HG2 . 11402 1 68 . 1 1 12 12 VAL C C 13 175.282 0.300 . 1 . . . . 12 VAL C . 11402 1 69 . 1 1 12 12 VAL CA C 13 62.294 0.300 . 1 . . . . 12 VAL CA . 11402 1 70 . 1 1 12 12 VAL CB C 13 33.213 0.300 . 1 . . . . 12 VAL CB . 11402 1 71 . 1 1 12 12 VAL CG1 C 13 21.745 0.300 . 2 . . . . 12 VAL CG1 . 11402 1 72 . 1 1 12 12 VAL CG2 C 13 20.523 0.300 . 2 . . . . 12 VAL CG2 . 11402 1 73 . 1 1 12 12 VAL N N 15 121.453 0.300 . 1 . . . . 12 VAL N . 11402 1 74 . 1 1 13 13 GLU H H 1 8.373 0.030 . 1 . . . . 13 GLU H . 11402 1 75 . 1 1 13 13 GLU HA H 1 4.639 0.030 . 1 . . . . 13 GLU HA . 11402 1 76 . 1 1 13 13 GLU HB2 H 1 2.133 0.030 . 2 . . . . 13 GLU HB2 . 11402 1 77 . 1 1 13 13 GLU HB3 H 1 2.036 0.030 . 2 . . . . 13 GLU HB3 . 11402 1 78 . 1 1 13 13 GLU HG2 H 1 2.390 0.030 . 2 . . . . 13 GLU HG2 . 11402 1 79 . 1 1 13 13 GLU HG3 H 1 2.346 0.030 . 2 . . . . 13 GLU HG3 . 11402 1 80 . 1 1 13 13 GLU C C 13 176.066 0.300 . 1 . . . . 13 GLU C . 11402 1 81 . 1 1 13 13 GLU CA C 13 55.845 0.300 . 1 . . . . 13 GLU CA . 11402 1 82 . 1 1 13 13 GLU CB C 13 31.841 0.300 . 1 . . . . 13 GLU CB . 11402 1 83 . 1 1 13 13 GLU CG C 13 36.455 0.300 . 1 . . . . 13 GLU CG . 11402 1 84 . 1 1 13 13 GLU N N 15 122.597 0.300 . 1 . . . . 13 GLU N . 11402 1 85 . 1 1 14 14 VAL H H 1 8.887 0.030 . 1 . . . . 14 VAL H . 11402 1 86 . 1 1 14 14 VAL HA H 1 3.361 0.030 . 1 . . . . 14 VAL HA . 11402 1 87 . 1 1 14 14 VAL HB H 1 1.888 0.030 . 1 . . . . 14 VAL HB . 11402 1 88 . 1 1 14 14 VAL HG11 H 1 0.659 0.030 . 1 . . . . 14 VAL HG1 . 11402 1 89 . 1 1 14 14 VAL HG12 H 1 0.659 0.030 . 1 . . . . 14 VAL HG1 . 11402 1 90 . 1 1 14 14 VAL HG13 H 1 0.659 0.030 . 1 . . . . 14 VAL HG1 . 11402 1 91 . 1 1 14 14 VAL HG21 H 1 0.379 0.030 . 1 . . . . 14 VAL HG2 . 11402 1 92 . 1 1 14 14 VAL HG22 H 1 0.379 0.030 . 1 . . . . 14 VAL HG2 . 11402 1 93 . 1 1 14 14 VAL HG23 H 1 0.379 0.030 . 1 . . . . 14 VAL HG2 . 11402 1 94 . 1 1 14 14 VAL C C 13 175.194 0.300 . 1 . . . . 14 VAL C . 11402 1 95 . 1 1 14 14 VAL CA C 13 63.890 0.300 . 1 . . . . 14 VAL CA . 11402 1 96 . 1 1 14 14 VAL CB C 13 33.355 0.300 . 1 . . . . 14 VAL CB . 11402 1 97 . 1 1 14 14 VAL CG1 C 13 22.947 0.300 . 2 . . . . 14 VAL CG1 . 11402 1 98 . 1 1 14 14 VAL CG2 C 13 20.824 0.300 . 2 . . . . 14 VAL CG2 . 11402 1 99 . 1 1 14 14 VAL N N 15 126.565 0.300 . 1 . . . . 14 VAL N . 11402 1 100 . 1 1 15 15 ASP H H 1 9.100 0.030 . 1 . . . . 15 ASP H . 11402 1 101 . 1 1 15 15 ASP HA H 1 4.564 0.030 . 1 . . . . 15 ASP HA . 11402 1 102 . 1 1 15 15 ASP HB2 H 1 2.548 0.030 . 2 . . . . 15 ASP HB2 . 11402 1 103 . 1 1 15 15 ASP HB3 H 1 2.447 0.030 . 2 . . . . 15 ASP HB3 . 11402 1 104 . 1 1 15 15 ASP C C 13 175.124 0.300 . 1 . . . . 15 ASP C . 11402 1 105 . 1 1 15 15 ASP CA C 13 55.227 0.300 . 1 . . . . 15 ASP CA . 11402 1 106 . 1 1 15 15 ASP CB C 13 42.369 0.300 . 1 . . . . 15 ASP CB . 11402 1 107 . 1 1 15 15 ASP N N 15 127.610 0.300 . 1 . . . . 15 ASP N . 11402 1 108 . 1 1 16 16 ARG H H 1 7.388 0.030 . 1 . . . . 16 ARG H . 11402 1 109 . 1 1 16 16 ARG HA H 1 4.424 0.030 . 1 . . . . 16 ARG HA . 11402 1 110 . 1 1 16 16 ARG HB2 H 1 1.880 0.030 . 2 . . . . 16 ARG HB2 . 11402 1 111 . 1 1 16 16 ARG HB3 H 1 1.627 0.030 . 2 . . . . 16 ARG HB3 . 11402 1 112 . 1 1 16 16 ARG HD2 H 1 3.131 0.030 . 1 . . . . 16 ARG HD2 . 11402 1 113 . 1 1 16 16 ARG HD3 H 1 3.131 0.030 . 1 . . . . 16 ARG HD3 . 11402 1 114 . 1 1 16 16 ARG HG2 H 1 1.349 0.030 . 2 . . . . 16 ARG HG2 . 11402 1 115 . 1 1 16 16 ARG HG3 H 1 1.194 0.030 . 2 . . . . 16 ARG HG3 . 11402 1 116 . 1 1 16 16 ARG C C 13 172.906 0.300 . 1 . . . . 16 ARG C . 11402 1 117 . 1 1 16 16 ARG CA C 13 54.275 0.300 . 1 . . . . 16 ARG CA . 11402 1 118 . 1 1 16 16 ARG CB C 13 32.713 0.300 . 1 . . . . 16 ARG CB . 11402 1 119 . 1 1 16 16 ARG CD C 13 43.404 0.300 . 1 . . . . 16 ARG CD . 11402 1 120 . 1 1 16 16 ARG CG C 13 25.717 0.300 . 1 . . . . 16 ARG CG . 11402 1 121 . 1 1 16 16 ARG N N 15 110.302 0.300 . 1 . . . . 16 ARG N . 11402 1 122 . 1 1 17 17 ILE H H 1 8.302 0.030 . 1 . . . . 17 ILE H . 11402 1 123 . 1 1 17 17 ILE HA H 1 4.018 0.030 . 1 . . . . 17 ILE HA . 11402 1 124 . 1 1 17 17 ILE HB H 1 1.241 0.030 . 1 . . . . 17 ILE HB . 11402 1 125 . 1 1 17 17 ILE HD11 H 1 0.104 0.030 . 1 . . . . 17 ILE HD1 . 11402 1 126 . 1 1 17 17 ILE HD12 H 1 0.104 0.030 . 1 . . . . 17 ILE HD1 . 11402 1 127 . 1 1 17 17 ILE HD13 H 1 0.104 0.030 . 1 . . . . 17 ILE HD1 . 11402 1 128 . 1 1 17 17 ILE HG12 H 1 1.040 0.030 . 2 . . . . 17 ILE HG12 . 11402 1 129 . 1 1 17 17 ILE HG13 H 1 0.525 0.030 . 2 . . . . 17 ILE HG13 . 11402 1 130 . 1 1 17 17 ILE HG21 H 1 0.035 0.030 . 1 . . . . 17 ILE HG2 . 11402 1 131 . 1 1 17 17 ILE HG22 H 1 0.035 0.030 . 1 . . . . 17 ILE HG2 . 11402 1 132 . 1 1 17 17 ILE HG23 H 1 0.035 0.030 . 1 . . . . 17 ILE HG2 . 11402 1 133 . 1 1 17 17 ILE C C 13 174.972 0.300 . 1 . . . . 17 ILE C . 11402 1 134 . 1 1 17 17 ILE CA C 13 60.602 0.300 . 1 . . . . 17 ILE CA . 11402 1 135 . 1 1 17 17 ILE CB C 13 38.474 0.300 . 1 . . . . 17 ILE CB . 11402 1 136 . 1 1 17 17 ILE CD1 C 13 13.341 0.300 . 1 . . . . 17 ILE CD1 . 11402 1 137 . 1 1 17 17 ILE CG1 C 13 28.418 0.300 . 1 . . . . 17 ILE CG1 . 11402 1 138 . 1 1 17 17 ILE CG2 C 13 17.771 0.300 . 1 . . . . 17 ILE CG2 . 11402 1 139 . 1 1 17 17 ILE N N 15 120.975 0.300 . 1 . . . . 17 ILE N . 11402 1 140 . 1 1 18 18 LEU H H 1 9.151 0.030 . 1 . . . . 18 LEU H . 11402 1 141 . 1 1 18 18 LEU HA H 1 4.425 0.030 . 1 . . . . 18 LEU HA . 11402 1 142 . 1 1 18 18 LEU HB2 H 1 1.564 0.030 . 2 . . . . 18 LEU HB2 . 11402 1 143 . 1 1 18 18 LEU HB3 H 1 1.355 0.030 . 2 . . . . 18 LEU HB3 . 11402 1 144 . 1 1 18 18 LEU HD11 H 1 0.679 0.030 . 1 . . . . 18 LEU HD1 . 11402 1 145 . 1 1 18 18 LEU HD12 H 1 0.679 0.030 . 1 . . . . 18 LEU HD1 . 11402 1 146 . 1 1 18 18 LEU HD13 H 1 0.679 0.030 . 1 . . . . 18 LEU HD1 . 11402 1 147 . 1 1 18 18 LEU HD21 H 1 0.769 0.030 . 1 . . . . 18 LEU HD2 . 11402 1 148 . 1 1 18 18 LEU HD22 H 1 0.769 0.030 . 1 . . . . 18 LEU HD2 . 11402 1 149 . 1 1 18 18 LEU HD23 H 1 0.769 0.030 . 1 . . . . 18 LEU HD2 . 11402 1 150 . 1 1 18 18 LEU HG H 1 1.443 0.030 . 1 . . . . 18 LEU HG . 11402 1 151 . 1 1 18 18 LEU C C 13 177.234 0.300 . 1 . . . . 18 LEU C . 11402 1 152 . 1 1 18 18 LEU CA C 13 55.715 0.300 . 1 . . . . 18 LEU CA . 11402 1 153 . 1 1 18 18 LEU CB C 13 43.742 0.300 . 1 . . . . 18 LEU CB . 11402 1 154 . 1 1 18 18 LEU CD1 C 13 25.264 0.300 . 2 . . . . 18 LEU CD1 . 11402 1 155 . 1 1 18 18 LEU CD2 C 13 22.418 0.300 . 2 . . . . 18 LEU CD2 . 11402 1 156 . 1 1 18 18 LEU CG C 13 26.628 0.300 . 1 . . . . 18 LEU CG . 11402 1 157 . 1 1 18 18 LEU N N 15 123.775 0.300 . 1 . . . . 18 LEU N . 11402 1 158 . 1 1 19 19 GLU H H 1 7.007 0.030 . 1 . . . . 19 GLU H . 11402 1 159 . 1 1 19 19 GLU HA H 1 4.750 0.030 . 1 . . . . 19 GLU HA . 11402 1 160 . 1 1 19 19 GLU HB2 H 1 2.060 0.030 . 2 . . . . 19 GLU HB2 . 11402 1 161 . 1 1 19 19 GLU HB3 H 1 1.898 0.030 . 2 . . . . 19 GLU HB3 . 11402 1 162 . 1 1 19 19 GLU HG2 H 1 2.384 0.030 . 2 . . . . 19 GLU HG2 . 11402 1 163 . 1 1 19 19 GLU HG3 H 1 2.344 0.030 . 2 . . . . 19 GLU HG3 . 11402 1 164 . 1 1 19 19 GLU C C 13 172.811 0.300 . 1 . . . . 19 GLU C . 11402 1 165 . 1 1 19 19 GLU CA C 13 55.384 0.300 . 1 . . . . 19 GLU CA . 11402 1 166 . 1 1 19 19 GLU CB C 13 34.974 0.300 . 1 . . . . 19 GLU CB . 11402 1 167 . 1 1 19 19 GLU CG C 13 36.773 0.300 . 1 . . . . 19 GLU CG . 11402 1 168 . 1 1 19 19 GLU N N 15 115.408 0.300 . 1 . . . . 19 GLU N . 11402 1 169 . 1 1 20 20 VAL H H 1 8.961 0.030 . 1 . . . . 20 VAL H . 11402 1 170 . 1 1 20 20 VAL HA H 1 5.152 0.030 . 1 . . . . 20 VAL HA . 11402 1 171 . 1 1 20 20 VAL HB H 1 2.002 0.030 . 1 . . . . 20 VAL HB . 11402 1 172 . 1 1 20 20 VAL HG11 H 1 0.443 0.030 . 1 . . . . 20 VAL HG1 . 11402 1 173 . 1 1 20 20 VAL HG12 H 1 0.443 0.030 . 1 . . . . 20 VAL HG1 . 11402 1 174 . 1 1 20 20 VAL HG13 H 1 0.443 0.030 . 1 . . . . 20 VAL HG1 . 11402 1 175 . 1 1 20 20 VAL HG21 H 1 1.107 0.030 . 1 . . . . 20 VAL HG2 . 11402 1 176 . 1 1 20 20 VAL HG22 H 1 1.107 0.030 . 1 . . . . 20 VAL HG2 . 11402 1 177 . 1 1 20 20 VAL HG23 H 1 1.107 0.030 . 1 . . . . 20 VAL HG2 . 11402 1 178 . 1 1 20 20 VAL C C 13 172.457 0.300 . 1 . . . . 20 VAL C . 11402 1 179 . 1 1 20 20 VAL CA C 13 59.308 0.300 . 1 . . . . 20 VAL CA . 11402 1 180 . 1 1 20 20 VAL CB C 13 35.588 0.300 . 1 . . . . 20 VAL CB . 11402 1 181 . 1 1 20 20 VAL CG1 C 13 23.353 0.300 . 2 . . . . 20 VAL CG1 . 11402 1 182 . 1 1 20 20 VAL CG2 C 13 19.184 0.300 . 2 . . . . 20 VAL CG2 . 11402 1 183 . 1 1 20 20 VAL N N 15 121.176 0.300 . 1 . . . . 20 VAL N . 11402 1 184 . 1 1 21 21 ALA H H 1 8.981 0.030 . 1 . . . . 21 ALA H . 11402 1 185 . 1 1 21 21 ALA HA H 1 4.679 0.030 . 1 . . . . 21 ALA HA . 11402 1 186 . 1 1 21 21 ALA HB1 H 1 1.004 0.030 . 1 . . . . 21 ALA HB . 11402 1 187 . 1 1 21 21 ALA HB2 H 1 1.004 0.030 . 1 . . . . 21 ALA HB . 11402 1 188 . 1 1 21 21 ALA HB3 H 1 1.004 0.030 . 1 . . . . 21 ALA HB . 11402 1 189 . 1 1 21 21 ALA C C 13 175.454 0.300 . 1 . . . . 21 ALA C . 11402 1 190 . 1 1 21 21 ALA CA C 13 51.286 0.300 . 1 . . . . 21 ALA CA . 11402 1 191 . 1 1 21 21 ALA CB C 13 22.864 0.300 . 1 . . . . 21 ALA CB . 11402 1 192 . 1 1 21 21 ALA N N 15 128.919 0.300 . 1 . . . . 21 ALA N . 11402 1 193 . 1 1 22 22 HIS H H 1 8.869 0.030 . 1 . . . . 22 HIS H . 11402 1 194 . 1 1 22 22 HIS HA H 1 5.471 0.030 . 1 . . . . 22 HIS HA . 11402 1 195 . 1 1 22 22 HIS HB2 H 1 3.170 0.030 . 2 . . . . 22 HIS HB2 . 11402 1 196 . 1 1 22 22 HIS HB3 H 1 3.052 0.030 . 2 . . . . 22 HIS HB3 . 11402 1 197 . 1 1 22 22 HIS HD2 H 1 7.286 0.030 . 1 . . . . 22 HIS HD2 . 11402 1 198 . 1 1 22 22 HIS HE1 H 1 8.437 0.030 . 1 . . . . 22 HIS HE1 . 11402 1 199 . 1 1 22 22 HIS C C 13 174.701 0.300 . 1 . . . . 22 HIS C . 11402 1 200 . 1 1 22 22 HIS CA C 13 54.655 0.300 . 1 . . . . 22 HIS CA . 11402 1 201 . 1 1 22 22 HIS CB C 13 30.585 0.300 . 1 . . . . 22 HIS CB . 11402 1 202 . 1 1 22 22 HIS CD2 C 13 120.722 0.300 . 1 . . . . 22 HIS CD2 . 11402 1 203 . 1 1 22 22 HIS CE1 C 13 137.345 0.300 . 1 . . . . 22 HIS CE1 . 11402 1 204 . 1 1 22 22 HIS N N 15 121.726 0.300 . 1 . . . . 22 HIS N . 11402 1 205 . 1 1 23 23 THR H H 1 8.978 0.030 . 1 . . . . 23 THR H . 11402 1 206 . 1 1 23 23 THR HA H 1 4.626 0.030 . 1 . . . . 23 THR HA . 11402 1 207 . 1 1 23 23 THR HB H 1 4.100 0.030 . 1 . . . . 23 THR HB . 11402 1 208 . 1 1 23 23 THR HG21 H 1 0.985 0.030 . 1 . . . . 23 THR HG2 . 11402 1 209 . 1 1 23 23 THR HG22 H 1 0.985 0.030 . 1 . . . . 23 THR HG2 . 11402 1 210 . 1 1 23 23 THR HG23 H 1 0.985 0.030 . 1 . . . . 23 THR HG2 . 11402 1 211 . 1 1 23 23 THR C C 13 172.964 0.300 . 1 . . . . 23 THR C . 11402 1 212 . 1 1 23 23 THR CA C 13 60.384 0.300 . 1 . . . . 23 THR CA . 11402 1 213 . 1 1 23 23 THR CB C 13 71.576 0.300 . 1 . . . . 23 THR CB . 11402 1 214 . 1 1 23 23 THR CG2 C 13 21.504 0.300 . 1 . . . . 23 THR CG2 . 11402 1 215 . 1 1 23 23 THR N N 15 117.179 0.300 . 1 . . . . 23 THR N . 11402 1 216 . 1 1 24 24 LYS H H 1 8.470 0.030 . 1 . . . . 24 LYS H . 11402 1 217 . 1 1 24 24 LYS HA H 1 4.860 0.030 . 1 . . . . 24 LYS HA . 11402 1 218 . 1 1 24 24 LYS HB2 H 1 1.565 0.030 . 1 . . . . 24 LYS HB2 . 11402 1 219 . 1 1 24 24 LYS HB3 H 1 1.565 0.030 . 1 . . . . 24 LYS HB3 . 11402 1 220 . 1 1 24 24 LYS HD2 H 1 1.593 0.030 . 1 . . . . 24 LYS HD2 . 11402 1 221 . 1 1 24 24 LYS HD3 H 1 1.593 0.030 . 1 . . . . 24 LYS HD3 . 11402 1 222 . 1 1 24 24 LYS HE2 H 1 2.949 0.030 . 1 . . . . 24 LYS HE2 . 11402 1 223 . 1 1 24 24 LYS HE3 H 1 2.949 0.030 . 1 . . . . 24 LYS HE3 . 11402 1 224 . 1 1 24 24 LYS HG2 H 1 1.236 0.030 . 2 . . . . 24 LYS HG2 . 11402 1 225 . 1 1 24 24 LYS HG3 H 1 1.155 0.030 . 2 . . . . 24 LYS HG3 . 11402 1 226 . 1 1 24 24 LYS C C 13 176.103 0.300 . 1 . . . . 24 LYS C . 11402 1 227 . 1 1 24 24 LYS CA C 13 54.786 0.300 . 1 . . . . 24 LYS CA . 11402 1 228 . 1 1 24 24 LYS CB C 13 34.523 0.300 . 1 . . . . 24 LYS CB . 11402 1 229 . 1 1 24 24 LYS CD C 13 29.196 0.300 . 1 . . . . 24 LYS CD . 11402 1 230 . 1 1 24 24 LYS CE C 13 42.075 0.300 . 1 . . . . 24 LYS CE . 11402 1 231 . 1 1 24 24 LYS CG C 13 24.849 0.300 . 1 . . . . 24 LYS CG . 11402 1 232 . 1 1 24 24 LYS N N 15 122.214 0.300 . 1 . . . . 24 LYS N . 11402 1 233 . 1 1 25 25 ASP H H 1 8.896 0.030 . 1 . . . . 25 ASP H . 11402 1 234 . 1 1 25 25 ASP HA H 1 4.468 0.030 . 1 . . . . 25 ASP HA . 11402 1 235 . 1 1 25 25 ASP HB2 H 1 2.995 0.030 . 2 . . . . 25 ASP HB2 . 11402 1 236 . 1 1 25 25 ASP HB3 H 1 2.526 0.030 . 2 . . . . 25 ASP HB3 . 11402 1 237 . 1 1 25 25 ASP C C 13 177.638 0.300 . 1 . . . . 25 ASP C . 11402 1 238 . 1 1 25 25 ASP CA C 13 54.710 0.300 . 1 . . . . 25 ASP CA . 11402 1 239 . 1 1 25 25 ASP CB C 13 43.271 0.300 . 1 . . . . 25 ASP CB . 11402 1 240 . 1 1 25 25 ASP N N 15 127.292 0.300 . 1 . . . . 25 ASP N . 11402 1 241 . 1 1 26 26 ALA H H 1 8.991 0.030 . 1 . . . . 26 ALA H . 11402 1 242 . 1 1 26 26 ALA HA H 1 4.033 0.030 . 1 . . . . 26 ALA HA . 11402 1 243 . 1 1 26 26 ALA HB1 H 1 1.475 0.030 . 1 . . . . 26 ALA HB . 11402 1 244 . 1 1 26 26 ALA HB2 H 1 1.475 0.030 . 1 . . . . 26 ALA HB . 11402 1 245 . 1 1 26 26 ALA HB3 H 1 1.475 0.030 . 1 . . . . 26 ALA HB . 11402 1 246 . 1 1 26 26 ALA C C 13 178.479 0.300 . 1 . . . . 26 ALA C . 11402 1 247 . 1 1 26 26 ALA CA C 13 54.791 0.300 . 1 . . . . 26 ALA CA . 11402 1 248 . 1 1 26 26 ALA CB C 13 19.078 0.300 . 1 . . . . 26 ALA CB . 11402 1 249 . 1 1 26 26 ALA N N 15 130.417 0.300 . 1 . . . . 26 ALA N . 11402 1 250 . 1 1 27 27 GLU H H 1 8.611 0.030 . 1 . . . . 27 GLU H . 11402 1 251 . 1 1 27 27 GLU HA H 1 4.339 0.030 . 1 . . . . 27 GLU HA . 11402 1 252 . 1 1 27 27 GLU HB2 H 1 2.140 0.030 . 1 . . . . 27 GLU HB2 . 11402 1 253 . 1 1 27 27 GLU HB3 H 1 2.140 0.030 . 1 . . . . 27 GLU HB3 . 11402 1 254 . 1 1 27 27 GLU HG2 H 1 2.301 0.030 . 2 . . . . 27 GLU HG2 . 11402 1 255 . 1 1 27 27 GLU HG3 H 1 2.212 0.030 . 2 . . . . 27 GLU HG3 . 11402 1 256 . 1 1 27 27 GLU C C 13 178.524 0.300 . 1 . . . . 27 GLU C . 11402 1 257 . 1 1 27 27 GLU CA C 13 58.178 0.300 . 1 . . . . 27 GLU CA . 11402 1 258 . 1 1 27 27 GLU CB C 13 30.607 0.300 . 1 . . . . 27 GLU CB . 11402 1 259 . 1 1 27 27 GLU CG C 13 36.447 0.300 . 1 . . . . 27 GLU CG . 11402 1 260 . 1 1 27 27 GLU N N 15 116.038 0.300 . 1 . . . . 27 GLU N . 11402 1 261 . 1 1 28 28 THR H H 1 8.477 0.030 . 1 . . . . 28 THR H . 11402 1 262 . 1 1 28 28 THR HA H 1 4.421 0.030 . 1 . . . . 28 THR HA . 11402 1 263 . 1 1 28 28 THR HB H 1 4.400 0.030 . 1 . . . . 28 THR HB . 11402 1 264 . 1 1 28 28 THR HG21 H 1 1.218 0.030 . 1 . . . . 28 THR HG2 . 11402 1 265 . 1 1 28 28 THR HG22 H 1 1.218 0.030 . 1 . . . . 28 THR HG2 . 11402 1 266 . 1 1 28 28 THR HG23 H 1 1.218 0.030 . 1 . . . . 28 THR HG2 . 11402 1 267 . 1 1 28 28 THR C C 13 176.951 0.300 . 1 . . . . 28 THR C . 11402 1 268 . 1 1 28 28 THR CA C 13 61.957 0.300 . 1 . . . . 28 THR CA . 11402 1 269 . 1 1 28 28 THR CB C 13 71.050 0.300 . 1 . . . . 28 THR CB . 11402 1 270 . 1 1 28 28 THR CG2 C 13 21.212 0.300 . 1 . . . . 28 THR CG2 . 11402 1 271 . 1 1 28 28 THR N N 15 107.785 0.300 . 1 . . . . 28 THR N . 11402 1 272 . 1 1 29 29 GLY H H 1 8.257 0.030 . 1 . . . . 29 GLY H . 11402 1 273 . 1 1 29 29 GLY HA2 H 1 4.202 0.030 . 2 . . . . 29 GLY HA2 . 11402 1 274 . 1 1 29 29 GLY HA3 H 1 3.729 0.030 . 2 . . . . 29 GLY HA3 . 11402 1 275 . 1 1 29 29 GLY C C 13 173.560 0.300 . 1 . . . . 29 GLY C . 11402 1 276 . 1 1 29 29 GLY CA C 13 45.721 0.300 . 1 . . . . 29 GLY CA . 11402 1 277 . 1 1 29 29 GLY N N 15 110.901 0.300 . 1 . . . . 29 GLY N . 11402 1 278 . 1 1 30 30 GLU H H 1 7.777 0.030 . 1 . . . . 30 GLU H . 11402 1 279 . 1 1 30 30 GLU HA H 1 4.203 0.030 . 1 . . . . 30 GLU HA . 11402 1 280 . 1 1 30 30 GLU HB2 H 1 1.997 0.030 . 2 . . . . 30 GLU HB2 . 11402 1 281 . 1 1 30 30 GLU HB3 H 1 1.829 0.030 . 2 . . . . 30 GLU HB3 . 11402 1 282 . 1 1 30 30 GLU HG2 H 1 2.260 0.030 . 2 . . . . 30 GLU HG2 . 11402 1 283 . 1 1 30 30 GLU HG3 H 1 2.171 0.030 . 2 . . . . 30 GLU HG3 . 11402 1 284 . 1 1 30 30 GLU C C 13 175.578 0.300 . 1 . . . . 30 GLU C . 11402 1 285 . 1 1 30 30 GLU CA C 13 56.412 0.300 . 1 . . . . 30 GLU CA . 11402 1 286 . 1 1 30 30 GLU CB C 13 30.889 0.300 . 1 . . . . 30 GLU CB . 11402 1 287 . 1 1 30 30 GLU CG C 13 36.322 0.300 . 1 . . . . 30 GLU CG . 11402 1 288 . 1 1 30 30 GLU N N 15 120.063 0.300 . 1 . . . . 30 GLU N . 11402 1 289 . 1 1 31 31 GLU H H 1 8.671 0.030 . 1 . . . . 31 GLU H . 11402 1 290 . 1 1 31 31 GLU HA H 1 4.725 0.030 . 1 . . . . 31 GLU HA . 11402 1 291 . 1 1 31 31 GLU HB2 H 1 2.002 0.030 . 2 . . . . 31 GLU HB2 . 11402 1 292 . 1 1 31 31 GLU HB3 H 1 1.904 0.030 . 2 . . . . 31 GLU HB3 . 11402 1 293 . 1 1 31 31 GLU HG2 H 1 2.266 0.030 . 2 . . . . 31 GLU HG2 . 11402 1 294 . 1 1 31 31 GLU HG3 H 1 2.122 0.030 . 2 . . . . 31 GLU HG3 . 11402 1 295 . 1 1 31 31 GLU C C 13 175.901 0.300 . 1 . . . . 31 GLU C . 11402 1 296 . 1 1 31 31 GLU CA C 13 56.581 0.300 . 1 . . . . 31 GLU CA . 11402 1 297 . 1 1 31 31 GLU CB C 13 30.954 0.300 . 1 . . . . 31 GLU CB . 11402 1 298 . 1 1 31 31 GLU CG C 13 37.015 0.300 . 1 . . . . 31 GLU CG . 11402 1 299 . 1 1 31 31 GLU N N 15 122.924 0.300 . 1 . . . . 31 GLU N . 11402 1 300 . 1 1 32 32 VAL H H 1 8.883 0.030 . 1 . . . . 32 VAL H . 11402 1 301 . 1 1 32 32 VAL HA H 1 4.333 0.030 . 1 . . . . 32 VAL HA . 11402 1 302 . 1 1 32 32 VAL HB H 1 1.889 0.030 . 1 . . . . 32 VAL HB . 11402 1 303 . 1 1 32 32 VAL HG11 H 1 0.840 0.030 . 1 . . . . 32 VAL HG1 . 11402 1 304 . 1 1 32 32 VAL HG12 H 1 0.840 0.030 . 1 . . . . 32 VAL HG1 . 11402 1 305 . 1 1 32 32 VAL HG13 H 1 0.840 0.030 . 1 . . . . 32 VAL HG1 . 11402 1 306 . 1 1 32 32 VAL HG21 H 1 0.744 0.030 . 1 . . . . 32 VAL HG2 . 11402 1 307 . 1 1 32 32 VAL HG22 H 1 0.744 0.030 . 1 . . . . 32 VAL HG2 . 11402 1 308 . 1 1 32 32 VAL HG23 H 1 0.744 0.030 . 1 . . . . 32 VAL HG2 . 11402 1 309 . 1 1 32 32 VAL C C 13 174.831 0.300 . 1 . . . . 32 VAL C . 11402 1 310 . 1 1 32 32 VAL CA C 13 61.333 0.300 . 1 . . . . 32 VAL CA . 11402 1 311 . 1 1 32 32 VAL CB C 13 34.725 0.300 . 1 . . . . 32 VAL CB . 11402 1 312 . 1 1 32 32 VAL CG1 C 13 20.747 0.300 . 2 . . . . 32 VAL CG1 . 11402 1 313 . 1 1 32 32 VAL CG2 C 13 21.600 0.300 . 2 . . . . 32 VAL CG2 . 11402 1 314 . 1 1 32 32 VAL N N 15 125.637 0.300 . 1 . . . . 32 VAL N . 11402 1 315 . 1 1 33 33 THR H H 1 8.608 0.030 . 1 . . . . 33 THR H . 11402 1 316 . 1 1 33 33 THR HA H 1 4.874 0.030 . 1 . . . . 33 THR HA . 11402 1 317 . 1 1 33 33 THR HB H 1 3.805 0.030 . 1 . . . . 33 THR HB . 11402 1 318 . 1 1 33 33 THR HG21 H 1 0.614 0.030 . 1 . . . . 33 THR HG2 . 11402 1 319 . 1 1 33 33 THR HG22 H 1 0.614 0.030 . 1 . . . . 33 THR HG2 . 11402 1 320 . 1 1 33 33 THR HG23 H 1 0.614 0.030 . 1 . . . . 33 THR HG2 . 11402 1 321 . 1 1 33 33 THR C C 13 172.690 0.300 . 1 . . . . 33 THR C . 11402 1 322 . 1 1 33 33 THR CA C 13 62.335 0.300 . 1 . . . . 33 THR CA . 11402 1 323 . 1 1 33 33 THR CB C 13 70.449 0.300 . 1 . . . . 33 THR CB . 11402 1 324 . 1 1 33 33 THR CG2 C 13 21.957 0.300 . 1 . . . . 33 THR CG2 . 11402 1 325 . 1 1 33 33 THR N N 15 124.199 0.300 . 1 . . . . 33 THR N . 11402 1 326 . 1 1 34 34 HIS H H 1 8.575 0.030 . 1 . . . . 34 HIS H . 11402 1 327 . 1 1 34 34 HIS HA H 1 5.351 0.030 . 1 . . . . 34 HIS HA . 11402 1 328 . 1 1 34 34 HIS HB2 H 1 3.137 0.030 . 2 . . . . 34 HIS HB2 . 11402 1 329 . 1 1 34 34 HIS HB3 H 1 2.703 0.030 . 2 . . . . 34 HIS HB3 . 11402 1 330 . 1 1 34 34 HIS HD2 H 1 6.994 0.030 . 1 . . . . 34 HIS HD2 . 11402 1 331 . 1 1 34 34 HIS HE1 H 1 7.761 0.030 . 1 . . . . 34 HIS HE1 . 11402 1 332 . 1 1 34 34 HIS C C 13 173.335 0.300 . 1 . . . . 34 HIS C . 11402 1 333 . 1 1 34 34 HIS CA C 13 54.606 0.300 . 1 . . . . 34 HIS CA . 11402 1 334 . 1 1 34 34 HIS CB C 13 35.229 0.300 . 1 . . . . 34 HIS CB . 11402 1 335 . 1 1 34 34 HIS CD2 C 13 119.602 0.300 . 1 . . . . 34 HIS CD2 . 11402 1 336 . 1 1 34 34 HIS CE1 C 13 137.732 0.300 . 1 . . . . 34 HIS CE1 . 11402 1 337 . 1 1 34 34 HIS N N 15 122.766 0.300 . 1 . . . . 34 HIS N . 11402 1 338 . 1 1 35 35 TYR H H 1 9.699 0.030 . 1 . . . . 35 TYR H . 11402 1 339 . 1 1 35 35 TYR HA H 1 5.197 0.030 . 1 . . . . 35 TYR HA . 11402 1 340 . 1 1 35 35 TYR HB2 H 1 2.662 0.030 . 2 . . . . 35 TYR HB2 . 11402 1 341 . 1 1 35 35 TYR HB3 H 1 2.263 0.030 . 2 . . . . 35 TYR HB3 . 11402 1 342 . 1 1 35 35 TYR HD1 H 1 6.683 0.030 . 1 . . . . 35 TYR HD1 . 11402 1 343 . 1 1 35 35 TYR HD2 H 1 6.683 0.030 . 1 . . . . 35 TYR HD2 . 11402 1 344 . 1 1 35 35 TYR HE1 H 1 6.601 0.030 . 1 . . . . 35 TYR HE1 . 11402 1 345 . 1 1 35 35 TYR HE2 H 1 6.601 0.030 . 1 . . . . 35 TYR HE2 . 11402 1 346 . 1 1 35 35 TYR C C 13 173.659 0.300 . 1 . . . . 35 TYR C . 11402 1 347 . 1 1 35 35 TYR CA C 13 56.652 0.300 . 1 . . . . 35 TYR CA . 11402 1 348 . 1 1 35 35 TYR CB C 13 41.855 0.300 . 1 . . . . 35 TYR CB . 11402 1 349 . 1 1 35 35 TYR CD1 C 13 132.102 0.300 . 1 . . . . 35 TYR CD1 . 11402 1 350 . 1 1 35 35 TYR CD2 C 13 132.102 0.300 . 1 . . . . 35 TYR CD2 . 11402 1 351 . 1 1 35 35 TYR CE1 C 13 117.975 0.300 . 1 . . . . 35 TYR CE1 . 11402 1 352 . 1 1 35 35 TYR CE2 C 13 117.975 0.300 . 1 . . . . 35 TYR CE2 . 11402 1 353 . 1 1 35 35 TYR N N 15 118.431 0.300 . 1 . . . . 35 TYR N . 11402 1 354 . 1 1 36 36 LEU H H 1 8.153 0.030 . 1 . . . . 36 LEU H . 11402 1 355 . 1 1 36 36 LEU HA H 1 3.779 0.030 . 1 . . . . 36 LEU HA . 11402 1 356 . 1 1 36 36 LEU HB2 H 1 0.902 0.030 . 2 . . . . 36 LEU HB2 . 11402 1 357 . 1 1 36 36 LEU HB3 H 1 -1.411 0.030 . 2 . . . . 36 LEU HB3 . 11402 1 358 . 1 1 36 36 LEU HD11 H 1 0.398 0.030 . 1 . . . . 36 LEU HD1 . 11402 1 359 . 1 1 36 36 LEU HD12 H 1 0.398 0.030 . 1 . . . . 36 LEU HD1 . 11402 1 360 . 1 1 36 36 LEU HD13 H 1 0.398 0.030 . 1 . . . . 36 LEU HD1 . 11402 1 361 . 1 1 36 36 LEU HD21 H 1 -0.607 0.030 . 1 . . . . 36 LEU HD2 . 11402 1 362 . 1 1 36 36 LEU HD22 H 1 -0.607 0.030 . 1 . . . . 36 LEU HD2 . 11402 1 363 . 1 1 36 36 LEU HD23 H 1 -0.607 0.030 . 1 . . . . 36 LEU HD2 . 11402 1 364 . 1 1 36 36 LEU HG H 1 0.651 0.030 . 1 . . . . 36 LEU HG . 11402 1 365 . 1 1 36 36 LEU C C 13 174.453 0.300 . 1 . . . . 36 LEU C . 11402 1 366 . 1 1 36 36 LEU CA C 13 53.536 0.300 . 1 . . . . 36 LEU CA . 11402 1 367 . 1 1 36 36 LEU CB C 13 40.241 0.300 . 1 . . . . 36 LEU CB . 11402 1 368 . 1 1 36 36 LEU CD1 C 13 25.587 0.300 . 2 . . . . 36 LEU CD1 . 11402 1 369 . 1 1 36 36 LEU CD2 C 13 19.700 0.300 . 2 . . . . 36 LEU CD2 . 11402 1 370 . 1 1 36 36 LEU CG C 13 26.180 0.300 . 1 . . . . 36 LEU CG . 11402 1 371 . 1 1 36 36 LEU N N 15 127.545 0.300 . 1 . . . . 36 LEU N . 11402 1 372 . 1 1 37 37 VAL H H 1 9.155 0.030 . 1 . . . . 37 VAL H . 11402 1 373 . 1 1 37 37 VAL HA H 1 3.703 0.030 . 1 . . . . 37 VAL HA . 11402 1 374 . 1 1 37 37 VAL HB H 1 1.491 0.030 . 1 . . . . 37 VAL HB . 11402 1 375 . 1 1 37 37 VAL HG11 H 1 0.373 0.030 . 1 . . . . 37 VAL HG1 . 11402 1 376 . 1 1 37 37 VAL HG12 H 1 0.373 0.030 . 1 . . . . 37 VAL HG1 . 11402 1 377 . 1 1 37 37 VAL HG13 H 1 0.373 0.030 . 1 . . . . 37 VAL HG1 . 11402 1 378 . 1 1 37 37 VAL HG21 H 1 -0.459 0.030 . 1 . . . . 37 VAL HG2 . 11402 1 379 . 1 1 37 37 VAL HG22 H 1 -0.459 0.030 . 1 . . . . 37 VAL HG2 . 11402 1 380 . 1 1 37 37 VAL HG23 H 1 -0.459 0.030 . 1 . . . . 37 VAL HG2 . 11402 1 381 . 1 1 37 37 VAL C C 13 172.978 0.300 . 1 . . . . 37 VAL C . 11402 1 382 . 1 1 37 37 VAL CA C 13 62.118 0.300 . 1 . . . . 37 VAL CA . 11402 1 383 . 1 1 37 37 VAL CB C 13 33.588 0.300 . 1 . . . . 37 VAL CB . 11402 1 384 . 1 1 37 37 VAL CG1 C 13 21.337 0.300 . 2 . . . . 37 VAL CG1 . 11402 1 385 . 1 1 37 37 VAL CG2 C 13 21.450 0.300 . 2 . . . . 37 VAL CG2 . 11402 1 386 . 1 1 37 37 VAL N N 15 128.384 0.300 . 1 . . . . 37 VAL N . 11402 1 387 . 1 1 38 38 LYS H H 1 8.059 0.030 . 1 . . . . 38 LYS H . 11402 1 388 . 1 1 38 38 LYS HA H 1 4.601 0.030 . 1 . . . . 38 LYS HA . 11402 1 389 . 1 1 38 38 LYS HB2 H 1 1.732 0.030 . 2 . . . . 38 LYS HB2 . 11402 1 390 . 1 1 38 38 LYS HB3 H 1 1.480 0.030 . 2 . . . . 38 LYS HB3 . 11402 1 391 . 1 1 38 38 LYS HD2 H 1 1.448 0.030 . 2 . . . . 38 LYS HD2 . 11402 1 392 . 1 1 38 38 LYS HD3 H 1 1.319 0.030 . 2 . . . . 38 LYS HD3 . 11402 1 393 . 1 1 38 38 LYS HE2 H 1 2.810 0.030 . 2 . . . . 38 LYS HE2 . 11402 1 394 . 1 1 38 38 LYS HE3 H 1 2.769 0.030 . 2 . . . . 38 LYS HE3 . 11402 1 395 . 1 1 38 38 LYS HG2 H 1 1.324 0.030 . 2 . . . . 38 LYS HG2 . 11402 1 396 . 1 1 38 38 LYS HG3 H 1 1.197 0.030 . 2 . . . . 38 LYS HG3 . 11402 1 397 . 1 1 38 38 LYS C C 13 176.002 0.300 . 1 . . . . 38 LYS C . 11402 1 398 . 1 1 38 38 LYS CA C 13 53.924 0.300 . 1 . . . . 38 LYS CA . 11402 1 399 . 1 1 38 38 LYS CB C 13 33.606 0.300 . 1 . . . . 38 LYS CB . 11402 1 400 . 1 1 38 38 LYS CD C 13 29.180 0.300 . 1 . . . . 38 LYS CD . 11402 1 401 . 1 1 38 38 LYS CE C 13 42.925 0.300 . 1 . . . . 38 LYS CE . 11402 1 402 . 1 1 38 38 LYS CG C 13 25.546 0.300 . 1 . . . . 38 LYS CG . 11402 1 403 . 1 1 38 38 LYS N N 15 124.240 0.300 . 1 . . . . 38 LYS N . 11402 1 404 . 1 1 39 39 TRP H H 1 8.761 0.030 . 1 . . . . 39 TRP H . 11402 1 405 . 1 1 39 39 TRP HA H 1 4.687 0.030 . 1 . . . . 39 TRP HA . 11402 1 406 . 1 1 39 39 TRP HB2 H 1 3.476 0.030 . 2 . . . . 39 TRP HB2 . 11402 1 407 . 1 1 39 39 TRP HB3 H 1 2.925 0.030 . 2 . . . . 39 TRP HB3 . 11402 1 408 . 1 1 39 39 TRP HD1 H 1 7.336 0.030 . 1 . . . . 39 TRP HD1 . 11402 1 409 . 1 1 39 39 TRP HE1 H 1 10.834 0.030 . 1 . . . . 39 TRP HE1 . 11402 1 410 . 1 1 39 39 TRP HE3 H 1 7.391 0.030 . 1 . . . . 39 TRP HE3 . 11402 1 411 . 1 1 39 39 TRP HH2 H 1 7.076 0.030 . 1 . . . . 39 TRP HH2 . 11402 1 412 . 1 1 39 39 TRP HZ2 H 1 7.274 0.030 . 1 . . . . 39 TRP HZ2 . 11402 1 413 . 1 1 39 39 TRP HZ3 H 1 6.893 0.030 . 1 . . . . 39 TRP HZ3 . 11402 1 414 . 1 1 39 39 TRP C C 13 177.528 0.300 . 1 . . . . 39 TRP C . 11402 1 415 . 1 1 39 39 TRP CA C 13 56.334 0.300 . 1 . . . . 39 TRP CA . 11402 1 416 . 1 1 39 39 TRP CB C 13 30.865 0.300 . 1 . . . . 39 TRP CB . 11402 1 417 . 1 1 39 39 TRP CD1 C 13 127.587 0.300 . 1 . . . . 39 TRP CD1 . 11402 1 418 . 1 1 39 39 TRP CE3 C 13 120.281 0.300 . 1 . . . . 39 TRP CE3 . 11402 1 419 . 1 1 39 39 TRP CH2 C 13 123.855 0.300 . 1 . . . . 39 TRP CH2 . 11402 1 420 . 1 1 39 39 TRP CZ2 C 13 114.208 0.300 . 1 . . . . 39 TRP CZ2 . 11402 1 421 . 1 1 39 39 TRP CZ3 C 13 122.519 0.300 . 1 . . . . 39 TRP CZ3 . 11402 1 422 . 1 1 39 39 TRP N N 15 132.106 0.300 . 1 . . . . 39 TRP N . 11402 1 423 . 1 1 39 39 TRP NE1 N 15 131.965 0.300 . 1 . . . . 39 TRP NE1 . 11402 1 424 . 1 1 40 40 CYS H H 1 9.200 0.030 . 1 . . . . 40 CYS H . 11402 1 425 . 1 1 40 40 CYS HA H 1 4.167 0.030 . 1 . . . . 40 CYS HA . 11402 1 426 . 1 1 40 40 CYS HB2 H 1 3.057 0.030 . 2 . . . . 40 CYS HB2 . 11402 1 427 . 1 1 40 40 CYS HB3 H 1 2.897 0.030 . 2 . . . . 40 CYS HB3 . 11402 1 428 . 1 1 40 40 CYS CA C 13 62.747 0.300 . 1 . . . . 40 CYS CA . 11402 1 429 . 1 1 40 40 CYS CB C 13 27.268 0.300 . 1 . . . . 40 CYS CB . 11402 1 430 . 1 1 40 40 CYS N N 15 122.374 0.300 . 1 . . . . 40 CYS N . 11402 1 431 . 1 1 41 41 SER H H 1 8.755 0.030 . 1 . . . . 41 SER H . 11402 1 432 . 1 1 41 41 SER HA H 1 4.184 0.030 . 1 . . . . 41 SER HA . 11402 1 433 . 1 1 41 41 SER HB2 H 1 4.161 0.030 . 2 . . . . 41 SER HB2 . 11402 1 434 . 1 1 41 41 SER HB3 H 1 4.006 0.030 . 2 . . . . 41 SER HB3 . 11402 1 435 . 1 1 41 41 SER C C 13 172.820 0.300 . 1 . . . . 41 SER C . 11402 1 436 . 1 1 41 41 SER CA C 13 60.083 0.300 . 1 . . . . 41 SER CA . 11402 1 437 . 1 1 41 41 SER CB C 13 63.116 0.300 . 1 . . . . 41 SER CB . 11402 1 438 . 1 1 41 41 SER N N 15 112.993 0.300 . 1 . . . . 41 SER N . 11402 1 439 . 1 1 42 42 LEU H H 1 7.440 0.030 . 1 . . . . 42 LEU H . 11402 1 440 . 1 1 42 42 LEU HA H 1 4.988 0.030 . 1 . . . . 42 LEU HA . 11402 1 441 . 1 1 42 42 LEU HB2 H 1 1.773 0.030 . 2 . . . . 42 LEU HB2 . 11402 1 442 . 1 1 42 42 LEU HB3 H 1 1.459 0.030 . 2 . . . . 42 LEU HB3 . 11402 1 443 . 1 1 42 42 LEU HD11 H 1 0.784 0.030 . 1 . . . . 42 LEU HD1 . 11402 1 444 . 1 1 42 42 LEU HD12 H 1 0.784 0.030 . 1 . . . . 42 LEU HD1 . 11402 1 445 . 1 1 42 42 LEU HD13 H 1 0.784 0.030 . 1 . . . . 42 LEU HD1 . 11402 1 446 . 1 1 42 42 LEU HD21 H 1 0.886 0.030 . 1 . . . . 42 LEU HD2 . 11402 1 447 . 1 1 42 42 LEU HD22 H 1 0.886 0.030 . 1 . . . . 42 LEU HD2 . 11402 1 448 . 1 1 42 42 LEU HD23 H 1 0.886 0.030 . 1 . . . . 42 LEU HD2 . 11402 1 449 . 1 1 42 42 LEU HG H 1 1.572 0.030 . 1 . . . . 42 LEU HG . 11402 1 450 . 1 1 42 42 LEU C C 13 174.294 0.300 . 1 . . . . 42 LEU C . 11402 1 451 . 1 1 42 42 LEU CA C 13 51.899 0.300 . 1 . . . . 42 LEU CA . 11402 1 452 . 1 1 42 42 LEU CB C 13 43.748 0.300 . 1 . . . . 42 LEU CB . 11402 1 453 . 1 1 42 42 LEU CD1 C 13 25.472 0.300 . 2 . . . . 42 LEU CD1 . 11402 1 454 . 1 1 42 42 LEU CD2 C 13 23.096 0.300 . 2 . . . . 42 LEU CD2 . 11402 1 455 . 1 1 42 42 LEU CG C 13 26.944 0.300 . 1 . . . . 42 LEU CG . 11402 1 456 . 1 1 42 42 LEU N N 15 121.503 0.300 . 1 . . . . 42 LEU N . 11402 1 457 . 1 1 43 43 PRO HA H 1 4.601 0.030 . 1 . . . . 43 PRO HA . 11402 1 458 . 1 1 43 43 PRO HB2 H 1 2.525 0.030 . 2 . . . . 43 PRO HB2 . 11402 1 459 . 1 1 43 43 PRO HB3 H 1 2.177 0.030 . 2 . . . . 43 PRO HB3 . 11402 1 460 . 1 1 43 43 PRO HD2 H 1 3.825 0.030 . 2 . . . . 43 PRO HD2 . 11402 1 461 . 1 1 43 43 PRO HD3 H 1 3.576 0.030 . 2 . . . . 43 PRO HD3 . 11402 1 462 . 1 1 43 43 PRO HG2 H 1 2.125 0.030 . 2 . . . . 43 PRO HG2 . 11402 1 463 . 1 1 43 43 PRO HG3 H 1 1.906 0.030 . 2 . . . . 43 PRO HG3 . 11402 1 464 . 1 1 43 43 PRO CA C 13 62.342 0.300 . 1 . . . . 43 PRO CA . 11402 1 465 . 1 1 43 43 PRO CB C 13 33.198 0.300 . 1 . . . . 43 PRO CB . 11402 1 466 . 1 1 43 43 PRO CD C 13 50.587 0.300 . 1 . . . . 43 PRO CD . 11402 1 467 . 1 1 43 43 PRO CG C 13 27.870 0.300 . 1 . . . . 43 PRO CG . 11402 1 468 . 1 1 44 44 TYR H H 1 9.042 0.030 . 1 . . . . 44 TYR H . 11402 1 469 . 1 1 44 44 TYR HA H 1 3.726 0.030 . 1 . . . . 44 TYR HA . 11402 1 470 . 1 1 44 44 TYR HB2 H 1 3.109 0.030 . 2 . . . . 44 TYR HB2 . 11402 1 471 . 1 1 44 44 TYR HB3 H 1 2.973 0.030 . 2 . . . . 44 TYR HB3 . 11402 1 472 . 1 1 44 44 TYR HD1 H 1 7.086 0.030 . 1 . . . . 44 TYR HD1 . 11402 1 473 . 1 1 44 44 TYR HD2 H 1 7.086 0.030 . 1 . . . . 44 TYR HD2 . 11402 1 474 . 1 1 44 44 TYR HE1 H 1 6.800 0.030 . 1 . . . . 44 TYR HE1 . 11402 1 475 . 1 1 44 44 TYR HE2 H 1 6.800 0.030 . 1 . . . . 44 TYR HE2 . 11402 1 476 . 1 1 44 44 TYR C C 13 178.690 0.300 . 1 . . . . 44 TYR C . 11402 1 477 . 1 1 44 44 TYR CA C 13 62.833 0.300 . 1 . . . . 44 TYR CA . 11402 1 478 . 1 1 44 44 TYR CB C 13 38.591 0.300 . 1 . . . . 44 TYR CB . 11402 1 479 . 1 1 44 44 TYR CD1 C 13 132.970 0.300 . 1 . . . . 44 TYR CD1 . 11402 1 480 . 1 1 44 44 TYR CD2 C 13 132.970 0.300 . 1 . . . . 44 TYR CD2 . 11402 1 481 . 1 1 44 44 TYR CE1 C 13 118.593 0.300 . 1 . . . . 44 TYR CE1 . 11402 1 482 . 1 1 44 44 TYR CE2 C 13 118.593 0.300 . 1 . . . . 44 TYR CE2 . 11402 1 483 . 1 1 44 44 TYR N N 15 122.414 0.300 . 1 . . . . 44 TYR N . 11402 1 484 . 1 1 45 45 GLU H H 1 10.023 0.030 . 1 . . . . 45 GLU H . 11402 1 485 . 1 1 45 45 GLU HA H 1 4.209 0.030 . 1 . . . . 45 GLU HA . 11402 1 486 . 1 1 45 45 GLU HB2 H 1 2.198 0.030 . 2 . . . . 45 GLU HB2 . 11402 1 487 . 1 1 45 45 GLU HB3 H 1 2.136 0.030 . 2 . . . . 45 GLU HB3 . 11402 1 488 . 1 1 45 45 GLU HG2 H 1 2.496 0.030 . 2 . . . . 45 GLU HG2 . 11402 1 489 . 1 1 45 45 GLU HG3 H 1 2.423 0.030 . 2 . . . . 45 GLU HG3 . 11402 1 490 . 1 1 45 45 GLU C C 13 176.570 0.300 . 1 . . . . 45 GLU C . 11402 1 491 . 1 1 45 45 GLU CA C 13 59.447 0.300 . 1 . . . . 45 GLU CA . 11402 1 492 . 1 1 45 45 GLU CB C 13 28.606 0.300 . 1 . . . . 45 GLU CB . 11402 1 493 . 1 1 45 45 GLU CG C 13 37.015 0.300 . 1 . . . . 45 GLU CG . 11402 1 494 . 1 1 45 45 GLU N N 15 118.254 0.300 . 1 . . . . 45 GLU N . 11402 1 495 . 1 1 46 46 GLU H H 1 7.683 0.030 . 1 . . . . 46 GLU H . 11402 1 496 . 1 1 46 46 GLU HA H 1 4.604 0.030 . 1 . . . . 46 GLU HA . 11402 1 497 . 1 1 46 46 GLU HB2 H 1 2.563 0.030 . 2 . . . . 46 GLU HB2 . 11402 1 498 . 1 1 46 46 GLU HB3 H 1 1.736 0.030 . 2 . . . . 46 GLU HB3 . 11402 1 499 . 1 1 46 46 GLU HG2 H 1 2.222 0.030 . 1 . . . . 46 GLU HG2 . 11402 1 500 . 1 1 46 46 GLU HG3 H 1 2.222 0.030 . 1 . . . . 46 GLU HG3 . 11402 1 501 . 1 1 46 46 GLU C C 13 175.234 0.300 . 1 . . . . 46 GLU C . 11402 1 502 . 1 1 46 46 GLU CA C 13 55.619 0.300 . 1 . . . . 46 GLU CA . 11402 1 503 . 1 1 46 46 GLU CB C 13 29.656 0.300 . 1 . . . . 46 GLU CB . 11402 1 504 . 1 1 46 46 GLU CG C 13 36.673 0.300 . 1 . . . . 46 GLU CG . 11402 1 505 . 1 1 46 46 GLU N N 15 119.144 0.300 . 1 . . . . 46 GLU N . 11402 1 506 . 1 1 47 47 SER H H 1 7.264 0.030 . 1 . . . . 47 SER H . 11402 1 507 . 1 1 47 47 SER HA H 1 4.872 0.030 . 1 . . . . 47 SER HA . 11402 1 508 . 1 1 47 47 SER HB2 H 1 3.433 0.030 . 2 . . . . 47 SER HB2 . 11402 1 509 . 1 1 47 47 SER HB3 H 1 3.369 0.030 . 2 . . . . 47 SER HB3 . 11402 1 510 . 1 1 47 47 SER C C 13 174.149 0.300 . 1 . . . . 47 SER C . 11402 1 511 . 1 1 47 47 SER CA C 13 60.582 0.300 . 1 . . . . 47 SER CA . 11402 1 512 . 1 1 47 47 SER CB C 13 63.583 0.300 . 1 . . . . 47 SER CB . 11402 1 513 . 1 1 47 47 SER N N 15 116.702 0.300 . 1 . . . . 47 SER N . 11402 1 514 . 1 1 48 48 THR H H 1 8.194 0.030 . 1 . . . . 48 THR H . 11402 1 515 . 1 1 48 48 THR HA H 1 4.765 0.030 . 1 . . . . 48 THR HA . 11402 1 516 . 1 1 48 48 THR HB H 1 4.380 0.030 . 1 . . . . 48 THR HB . 11402 1 517 . 1 1 48 48 THR HG21 H 1 1.312 0.030 . 1 . . . . 48 THR HG2 . 11402 1 518 . 1 1 48 48 THR HG22 H 1 1.312 0.030 . 1 . . . . 48 THR HG2 . 11402 1 519 . 1 1 48 48 THR HG23 H 1 1.312 0.030 . 1 . . . . 48 THR HG2 . 11402 1 520 . 1 1 48 48 THR C C 13 173.417 0.300 . 1 . . . . 48 THR C . 11402 1 521 . 1 1 48 48 THR CA C 13 59.438 0.300 . 1 . . . . 48 THR CA . 11402 1 522 . 1 1 48 48 THR CB C 13 71.403 0.300 . 1 . . . . 48 THR CB . 11402 1 523 . 1 1 48 48 THR CG2 C 13 23.221 0.300 . 1 . . . . 48 THR CG2 . 11402 1 524 . 1 1 48 48 THR N N 15 112.520 0.300 . 1 . . . . 48 THR N . 11402 1 525 . 1 1 49 49 TRP H H 1 8.693 0.030 . 1 . . . . 49 TRP H . 11402 1 526 . 1 1 49 49 TRP HA H 1 5.051 0.030 . 1 . . . . 49 TRP HA . 11402 1 527 . 1 1 49 49 TRP HB2 H 1 2.995 0.030 . 2 . . . . 49 TRP HB2 . 11402 1 528 . 1 1 49 49 TRP HB3 H 1 2.711 0.030 . 2 . . . . 49 TRP HB3 . 11402 1 529 . 1 1 49 49 TRP HD1 H 1 7.200 0.030 . 1 . . . . 49 TRP HD1 . 11402 1 530 . 1 1 49 49 TRP HE1 H 1 10.136 0.030 . 1 . . . . 49 TRP HE1 . 11402 1 531 . 1 1 49 49 TRP HE3 H 1 6.996 0.030 . 1 . . . . 49 TRP HE3 . 11402 1 532 . 1 1 49 49 TRP HH2 H 1 6.890 0.030 . 1 . . . . 49 TRP HH2 . 11402 1 533 . 1 1 49 49 TRP HZ2 H 1 7.379 0.030 . 1 . . . . 49 TRP HZ2 . 11402 1 534 . 1 1 49 49 TRP HZ3 H 1 6.621 0.030 . 1 . . . . 49 TRP HZ3 . 11402 1 535 . 1 1 49 49 TRP C C 13 176.748 0.300 . 1 . . . . 49 TRP C . 11402 1 536 . 1 1 49 49 TRP CA C 13 56.474 0.300 . 1 . . . . 49 TRP CA . 11402 1 537 . 1 1 49 49 TRP CB C 13 29.438 0.300 . 1 . . . . 49 TRP CB . 11402 1 538 . 1 1 49 49 TRP CD1 C 13 127.657 0.300 . 1 . . . . 49 TRP CD1 . 11402 1 539 . 1 1 49 49 TRP CE3 C 13 119.617 0.300 . 1 . . . . 49 TRP CE3 . 11402 1 540 . 1 1 49 49 TRP CH2 C 13 124.109 0.300 . 1 . . . . 49 TRP CH2 . 11402 1 541 . 1 1 49 49 TRP CZ2 C 13 115.410 0.300 . 1 . . . . 49 TRP CZ2 . 11402 1 542 . 1 1 49 49 TRP CZ3 C 13 122.550 0.300 . 1 . . . . 49 TRP CZ3 . 11402 1 543 . 1 1 49 49 TRP N N 15 122.530 0.300 . 1 . . . . 49 TRP N . 11402 1 544 . 1 1 49 49 TRP NE1 N 15 129.697 0.300 . 1 . . . . 49 TRP NE1 . 11402 1 545 . 1 1 50 50 GLU H H 1 9.715 0.030 . 1 . . . . 50 GLU H . 11402 1 546 . 1 1 50 50 GLU HA H 1 4.959 0.030 . 1 . . . . 50 GLU HA . 11402 1 547 . 1 1 50 50 GLU HB2 H 1 2.265 0.030 . 2 . . . . 50 GLU HB2 . 11402 1 548 . 1 1 50 50 GLU HB3 H 1 1.538 0.030 . 2 . . . . 50 GLU HB3 . 11402 1 549 . 1 1 50 50 GLU HG2 H 1 2.441 0.030 . 2 . . . . 50 GLU HG2 . 11402 1 550 . 1 1 50 50 GLU HG3 H 1 2.276 0.030 . 2 . . . . 50 GLU HG3 . 11402 1 551 . 1 1 50 50 GLU C C 13 176.282 0.300 . 1 . . . . 50 GLU C . 11402 1 552 . 1 1 50 50 GLU CA C 13 53.309 0.300 . 1 . . . . 50 GLU CA . 11402 1 553 . 1 1 50 50 GLU CB C 13 32.830 0.300 . 1 . . . . 50 GLU CB . 11402 1 554 . 1 1 50 50 GLU CG C 13 35.215 0.300 . 1 . . . . 50 GLU CG . 11402 1 555 . 1 1 50 50 GLU N N 15 123.504 0.300 . 1 . . . . 50 GLU N . 11402 1 556 . 1 1 51 51 LEU H H 1 9.554 0.030 . 1 . . . . 51 LEU H . 11402 1 557 . 1 1 51 51 LEU HA H 1 4.204 0.030 . 1 . . . . 51 LEU HA . 11402 1 558 . 1 1 51 51 LEU HB2 H 1 1.729 0.030 . 1 . . . . 51 LEU HB2 . 11402 1 559 . 1 1 51 51 LEU HB3 H 1 1.729 0.030 . 1 . . . . 51 LEU HB3 . 11402 1 560 . 1 1 51 51 LEU HD11 H 1 0.922 0.030 . 1 . . . . 51 LEU HD1 . 11402 1 561 . 1 1 51 51 LEU HD12 H 1 0.922 0.030 . 1 . . . . 51 LEU HD1 . 11402 1 562 . 1 1 51 51 LEU HD13 H 1 0.922 0.030 . 1 . . . . 51 LEU HD1 . 11402 1 563 . 1 1 51 51 LEU HD21 H 1 0.643 0.030 . 1 . . . . 51 LEU HD2 . 11402 1 564 . 1 1 51 51 LEU HD22 H 1 0.643 0.030 . 1 . . . . 51 LEU HD2 . 11402 1 565 . 1 1 51 51 LEU HD23 H 1 0.643 0.030 . 1 . . . . 51 LEU HD2 . 11402 1 566 . 1 1 51 51 LEU HG H 1 1.730 0.030 . 1 . . . . 51 LEU HG . 11402 1 567 . 1 1 51 51 LEU C C 13 178.613 0.300 . 1 . . . . 51 LEU C . 11402 1 568 . 1 1 51 51 LEU CA C 13 55.135 0.300 . 1 . . . . 51 LEU CA . 11402 1 569 . 1 1 51 51 LEU CB C 13 42.938 0.300 . 1 . . . . 51 LEU CB . 11402 1 570 . 1 1 51 51 LEU CD1 C 13 25.297 0.300 . 2 . . . . 51 LEU CD1 . 11402 1 571 . 1 1 51 51 LEU CD2 C 13 23.586 0.300 . 2 . . . . 51 LEU CD2 . 11402 1 572 . 1 1 51 51 LEU CG C 13 27.379 0.300 . 1 . . . . 51 LEU CG . 11402 1 573 . 1 1 51 51 LEU N N 15 124.182 0.300 . 1 . . . . 51 LEU N . 11402 1 574 . 1 1 52 52 GLU H H 1 8.139 0.030 . 1 . . . . 52 GLU H . 11402 1 575 . 1 1 52 52 GLU HA H 1 3.875 0.030 . 1 . . . . 52 GLU HA . 11402 1 576 . 1 1 52 52 GLU HB2 H 1 2.128 0.030 . 1 . . . . 52 GLU HB2 . 11402 1 577 . 1 1 52 52 GLU HB3 H 1 2.128 0.030 . 1 . . . . 52 GLU HB3 . 11402 1 578 . 1 1 52 52 GLU HG2 H 1 2.310 0.030 . 1 . . . . 52 GLU HG2 . 11402 1 579 . 1 1 52 52 GLU HG3 H 1 2.310 0.030 . 1 . . . . 52 GLU HG3 . 11402 1 580 . 1 1 52 52 GLU C C 13 177.966 0.300 . 1 . . . . 52 GLU C . 11402 1 581 . 1 1 52 52 GLU CA C 13 60.470 0.300 . 1 . . . . 52 GLU CA . 11402 1 582 . 1 1 52 52 GLU CB C 13 30.360 0.300 . 1 . . . . 52 GLU CB . 11402 1 583 . 1 1 52 52 GLU CG C 13 35.976 0.300 . 1 . . . . 52 GLU CG . 11402 1 584 . 1 1 52 52 GLU N N 15 121.022 0.300 . 1 . . . . 52 GLU N . 11402 1 585 . 1 1 53 53 GLU H H 1 8.961 0.030 . 1 . . . . 53 GLU H . 11402 1 586 . 1 1 53 53 GLU HA H 1 4.252 0.030 . 1 . . . . 53 GLU HA . 11402 1 587 . 1 1 53 53 GLU HB2 H 1 2.147 0.030 . 2 . . . . 53 GLU HB2 . 11402 1 588 . 1 1 53 53 GLU HB3 H 1 2.085 0.030 . 2 . . . . 53 GLU HB3 . 11402 1 589 . 1 1 53 53 GLU HG2 H 1 2.227 0.030 . 1 . . . . 53 GLU HG2 . 11402 1 590 . 1 1 53 53 GLU HG3 H 1 2.227 0.030 . 1 . . . . 53 GLU HG3 . 11402 1 591 . 1 1 53 53 GLU C C 13 176.381 0.300 . 1 . . . . 53 GLU C . 11402 1 592 . 1 1 53 53 GLU CA C 13 58.308 0.300 . 1 . . . . 53 GLU CA . 11402 1 593 . 1 1 53 53 GLU CB C 13 29.147 0.300 . 1 . . . . 53 GLU CB . 11402 1 594 . 1 1 53 53 GLU CG C 13 35.787 0.300 . 1 . . . . 53 GLU CG . 11402 1 595 . 1 1 53 53 GLU N N 15 114.959 0.300 . 1 . . . . 53 GLU N . 11402 1 596 . 1 1 54 54 ASP H H 1 7.967 0.030 . 1 . . . . 54 ASP H . 11402 1 597 . 1 1 54 54 ASP HA H 1 4.958 0.030 . 1 . . . . 54 ASP HA . 11402 1 598 . 1 1 54 54 ASP HB2 H 1 3.108 0.030 . 2 . . . . 54 ASP HB2 . 11402 1 599 . 1 1 54 54 ASP HB3 H 1 2.871 0.030 . 2 . . . . 54 ASP HB3 . 11402 1 600 . 1 1 54 54 ASP C C 13 175.577 0.300 . 1 . . . . 54 ASP C . 11402 1 601 . 1 1 54 54 ASP CA C 13 54.733 0.300 . 1 . . . . 54 ASP CA . 11402 1 602 . 1 1 54 54 ASP CB C 13 42.090 0.300 . 1 . . . . 54 ASP CB . 11402 1 603 . 1 1 54 54 ASP N N 15 118.653 0.300 . 1 . . . . 54 ASP N . 11402 1 604 . 1 1 55 55 VAL H H 1 7.466 0.030 . 1 . . . . 55 VAL H . 11402 1 605 . 1 1 55 55 VAL HA H 1 4.107 0.030 . 1 . . . . 55 VAL HA . 11402 1 606 . 1 1 55 55 VAL HB H 1 1.712 0.030 . 1 . . . . 55 VAL HB . 11402 1 607 . 1 1 55 55 VAL HG11 H 1 0.763 0.030 . 1 . . . . 55 VAL HG1 . 11402 1 608 . 1 1 55 55 VAL HG12 H 1 0.763 0.030 . 1 . . . . 55 VAL HG1 . 11402 1 609 . 1 1 55 55 VAL HG13 H 1 0.763 0.030 . 1 . . . . 55 VAL HG1 . 11402 1 610 . 1 1 55 55 VAL HG21 H 1 0.633 0.030 . 1 . . . . 55 VAL HG2 . 11402 1 611 . 1 1 55 55 VAL HG22 H 1 0.633 0.030 . 1 . . . . 55 VAL HG2 . 11402 1 612 . 1 1 55 55 VAL HG23 H 1 0.633 0.030 . 1 . . . . 55 VAL HG2 . 11402 1 613 . 1 1 55 55 VAL C C 13 174.459 0.300 . 1 . . . . 55 VAL C . 11402 1 614 . 1 1 55 55 VAL CA C 13 61.335 0.300 . 1 . . . . 55 VAL CA . 11402 1 615 . 1 1 55 55 VAL CB C 13 33.584 0.300 . 1 . . . . 55 VAL CB . 11402 1 616 . 1 1 55 55 VAL CG1 C 13 22.321 0.300 . 2 . . . . 55 VAL CG1 . 11402 1 617 . 1 1 55 55 VAL CG2 C 13 22.172 0.300 . 2 . . . . 55 VAL CG2 . 11402 1 618 . 1 1 55 55 VAL N N 15 119.785 0.300 . 1 . . . . 55 VAL N . 11402 1 619 . 1 1 56 56 ASP H H 1 8.160 0.030 . 1 . . . . 56 ASP H . 11402 1 620 . 1 1 56 56 ASP HA H 1 4.528 0.030 . 1 . . . . 56 ASP HA . 11402 1 621 . 1 1 56 56 ASP HB2 H 1 2.752 0.030 . 2 . . . . 56 ASP HB2 . 11402 1 622 . 1 1 56 56 ASP HB3 H 1 2.526 0.030 . 2 . . . . 56 ASP HB3 . 11402 1 623 . 1 1 56 56 ASP C C 13 175.897 0.300 . 1 . . . . 56 ASP C . 11402 1 624 . 1 1 56 56 ASP CA C 13 52.348 0.300 . 1 . . . . 56 ASP CA . 11402 1 625 . 1 1 56 56 ASP CB C 13 42.582 0.300 . 1 . . . . 56 ASP CB . 11402 1 626 . 1 1 56 56 ASP N N 15 127.697 0.300 . 1 . . . . 56 ASP N . 11402 1 627 . 1 1 57 57 PRO HA H 1 4.137 0.030 . 1 . . . . 57 PRO HA . 11402 1 628 . 1 1 57 57 PRO HB2 H 1 2.424 0.030 . 2 . . . . 57 PRO HB2 . 11402 1 629 . 1 1 57 57 PRO HB3 H 1 2.010 0.030 . 2 . . . . 57 PRO HB3 . 11402 1 630 . 1 1 57 57 PRO HD2 H 1 4.024 0.030 . 2 . . . . 57 PRO HD2 . 11402 1 631 . 1 1 57 57 PRO HD3 H 1 3.938 0.030 . 2 . . . . 57 PRO HD3 . 11402 1 632 . 1 1 57 57 PRO HG2 H 1 2.121 0.030 . 1 . . . . 57 PRO HG2 . 11402 1 633 . 1 1 57 57 PRO HG3 H 1 2.121 0.030 . 1 . . . . 57 PRO HG3 . 11402 1 634 . 1 1 57 57 PRO C C 13 179.024 0.300 . 1 . . . . 57 PRO C . 11402 1 635 . 1 1 57 57 PRO CA C 13 64.901 0.300 . 1 . . . . 57 PRO CA . 11402 1 636 . 1 1 57 57 PRO CB C 13 32.381 0.300 . 1 . . . . 57 PRO CB . 11402 1 637 . 1 1 57 57 PRO CD C 13 51.704 0.300 . 1 . . . . 57 PRO CD . 11402 1 638 . 1 1 57 57 PRO CG C 13 27.311 0.300 . 1 . . . . 57 PRO CG . 11402 1 639 . 1 1 58 58 ALA H H 1 8.628 0.030 . 1 . . . . 58 ALA H . 11402 1 640 . 1 1 58 58 ALA HA H 1 4.151 0.030 . 1 . . . . 58 ALA HA . 11402 1 641 . 1 1 58 58 ALA HB1 H 1 1.459 0.030 . 1 . . . . 58 ALA HB . 11402 1 642 . 1 1 58 58 ALA HB2 H 1 1.459 0.030 . 1 . . . . 58 ALA HB . 11402 1 643 . 1 1 58 58 ALA HB3 H 1 1.459 0.030 . 1 . . . . 58 ALA HB . 11402 1 644 . 1 1 58 58 ALA C C 13 181.643 0.300 . 1 . . . . 58 ALA C . 11402 1 645 . 1 1 58 58 ALA CA C 13 55.159 0.300 . 1 . . . . 58 ALA CA . 11402 1 646 . 1 1 58 58 ALA CB C 13 18.296 0.300 . 1 . . . . 58 ALA CB . 11402 1 647 . 1 1 58 58 ALA N N 15 120.943 0.300 . 1 . . . . 58 ALA N . 11402 1 648 . 1 1 59 59 LYS H H 1 7.587 0.030 . 1 . . . . 59 LYS H . 11402 1 649 . 1 1 59 59 LYS HA H 1 4.134 0.030 . 1 . . . . 59 LYS HA . 11402 1 650 . 1 1 59 59 LYS HB2 H 1 1.993 0.030 . 2 . . . . 59 LYS HB2 . 11402 1 651 . 1 1 59 59 LYS HB3 H 1 1.491 0.030 . 2 . . . . 59 LYS HB3 . 11402 1 652 . 1 1 59 59 LYS HD2 H 1 1.683 0.030 . 2 . . . . 59 LYS HD2 . 11402 1 653 . 1 1 59 59 LYS HD3 H 1 1.339 0.030 . 2 . . . . 59 LYS HD3 . 11402 1 654 . 1 1 59 59 LYS HE2 H 1 2.976 0.030 . 2 . . . . 59 LYS HE2 . 11402 1 655 . 1 1 59 59 LYS HE3 H 1 2.867 0.030 . 2 . . . . 59 LYS HE3 . 11402 1 656 . 1 1 59 59 LYS HG2 H 1 1.417 0.030 . 2 . . . . 59 LYS HG2 . 11402 1 657 . 1 1 59 59 LYS HG3 H 1 1.310 0.030 . 2 . . . . 59 LYS HG3 . 11402 1 658 . 1 1 59 59 LYS C C 13 179.825 0.300 . 1 . . . . 59 LYS C . 11402 1 659 . 1 1 59 59 LYS CA C 13 56.591 0.300 . 1 . . . . 59 LYS CA . 11402 1 660 . 1 1 59 59 LYS CB C 13 31.164 0.300 . 1 . . . . 59 LYS CB . 11402 1 661 . 1 1 59 59 LYS CD C 13 28.047 0.300 . 1 . . . . 59 LYS CD . 11402 1 662 . 1 1 59 59 LYS CE C 13 42.324 0.300 . 1 . . . . 59 LYS CE . 11402 1 663 . 1 1 59 59 LYS CG C 13 24.672 0.300 . 1 . . . . 59 LYS CG . 11402 1 664 . 1 1 59 59 LYS N N 15 116.926 0.300 . 1 . . . . 59 LYS N . 11402 1 665 . 1 1 60 60 VAL H H 1 7.288 0.030 . 1 . . . . 60 VAL H . 11402 1 666 . 1 1 60 60 VAL HA H 1 3.182 0.030 . 1 . . . . 60 VAL HA . 11402 1 667 . 1 1 60 60 VAL HB H 1 2.071 0.030 . 1 . . . . 60 VAL HB . 11402 1 668 . 1 1 60 60 VAL HG11 H 1 0.890 0.030 . 1 . . . . 60 VAL HG1 . 11402 1 669 . 1 1 60 60 VAL HG12 H 1 0.890 0.030 . 1 . . . . 60 VAL HG1 . 11402 1 670 . 1 1 60 60 VAL HG13 H 1 0.890 0.030 . 1 . . . . 60 VAL HG1 . 11402 1 671 . 1 1 60 60 VAL HG21 H 1 0.442 0.030 . 1 . . . . 60 VAL HG2 . 11402 1 672 . 1 1 60 60 VAL HG22 H 1 0.442 0.030 . 1 . . . . 60 VAL HG2 . 11402 1 673 . 1 1 60 60 VAL HG23 H 1 0.442 0.030 . 1 . . . . 60 VAL HG2 . 11402 1 674 . 1 1 60 60 VAL C C 13 177.341 0.300 . 1 . . . . 60 VAL C . 11402 1 675 . 1 1 60 60 VAL CA C 13 67.026 0.300 . 1 . . . . 60 VAL CA . 11402 1 676 . 1 1 60 60 VAL CB C 13 31.473 0.300 . 1 . . . . 60 VAL CB . 11402 1 677 . 1 1 60 60 VAL CG1 C 13 21.403 0.300 . 2 . . . . 60 VAL CG1 . 11402 1 678 . 1 1 60 60 VAL CG2 C 13 22.280 0.300 . 2 . . . . 60 VAL CG2 . 11402 1 679 . 1 1 60 60 VAL N N 15 123.134 0.300 . 1 . . . . 60 VAL N . 11402 1 680 . 1 1 61 61 LYS H H 1 7.941 0.030 . 1 . . . . 61 LYS H . 11402 1 681 . 1 1 61 61 LYS HA H 1 4.094 0.030 . 1 . . . . 61 LYS HA . 11402 1 682 . 1 1 61 61 LYS HB2 H 1 1.887 0.030 . 1 . . . . 61 LYS HB2 . 11402 1 683 . 1 1 61 61 LYS HB3 H 1 1.887 0.030 . 1 . . . . 61 LYS HB3 . 11402 1 684 . 1 1 61 61 LYS HD2 H 1 1.690 0.030 . 1 . . . . 61 LYS HD2 . 11402 1 685 . 1 1 61 61 LYS HD3 H 1 1.690 0.030 . 1 . . . . 61 LYS HD3 . 11402 1 686 . 1 1 61 61 LYS HE2 H 1 2.972 0.030 . 1 . . . . 61 LYS HE2 . 11402 1 687 . 1 1 61 61 LYS HE3 H 1 2.972 0.030 . 1 . . . . 61 LYS HE3 . 11402 1 688 . 1 1 61 61 LYS HG2 H 1 1.556 0.030 . 2 . . . . 61 LYS HG2 . 11402 1 689 . 1 1 61 61 LYS HG3 H 1 1.473 0.030 . 2 . . . . 61 LYS HG3 . 11402 1 690 . 1 1 61 61 LYS C C 13 179.608 0.300 . 1 . . . . 61 LYS C . 11402 1 691 . 1 1 61 61 LYS CA C 13 59.218 0.300 . 1 . . . . 61 LYS CA . 11402 1 692 . 1 1 61 61 LYS CB C 13 31.873 0.300 . 1 . . . . 61 LYS CB . 11402 1 693 . 1 1 61 61 LYS CD C 13 28.863 0.300 . 1 . . . . 61 LYS CD . 11402 1 694 . 1 1 61 61 LYS CE C 13 42.069 0.300 . 1 . . . . 61 LYS CE . 11402 1 695 . 1 1 61 61 LYS CG C 13 24.854 0.300 . 1 . . . . 61 LYS CG . 11402 1 696 . 1 1 61 61 LYS N N 15 119.137 0.300 . 1 . . . . 61 LYS N . 11402 1 697 . 1 1 62 62 GLU H H 1 7.572 0.030 . 1 . . . . 62 GLU H . 11402 1 698 . 1 1 62 62 GLU HA H 1 4.022 0.030 . 1 . . . . 62 GLU HA . 11402 1 699 . 1 1 62 62 GLU HB2 H 1 2.125 0.030 . 1 . . . . 62 GLU HB2 . 11402 1 700 . 1 1 62 62 GLU HB3 H 1 2.125 0.030 . 1 . . . . 62 GLU HB3 . 11402 1 701 . 1 1 62 62 GLU HG2 H 1 2.434 0.030 . 2 . . . . 62 GLU HG2 . 11402 1 702 . 1 1 62 62 GLU HG3 H 1 2.237 0.030 . 2 . . . . 62 GLU HG3 . 11402 1 703 . 1 1 62 62 GLU C C 13 178.444 0.300 . 1 . . . . 62 GLU C . 11402 1 704 . 1 1 62 62 GLU CA C 13 59.394 0.300 . 1 . . . . 62 GLU CA . 11402 1 705 . 1 1 62 62 GLU CB C 13 30.096 0.300 . 1 . . . . 62 GLU CB . 11402 1 706 . 1 1 62 62 GLU CG C 13 36.406 0.300 . 1 . . . . 62 GLU CG . 11402 1 707 . 1 1 62 62 GLU N N 15 118.927 0.300 . 1 . . . . 62 GLU N . 11402 1 708 . 1 1 63 63 PHE H H 1 7.644 0.030 . 1 . . . . 63 PHE H . 11402 1 709 . 1 1 63 63 PHE HA H 1 4.339 0.030 . 1 . . . . 63 PHE HA . 11402 1 710 . 1 1 63 63 PHE HB2 H 1 3.221 0.030 . 2 . . . . 63 PHE HB2 . 11402 1 711 . 1 1 63 63 PHE HB3 H 1 3.178 0.030 . 2 . . . . 63 PHE HB3 . 11402 1 712 . 1 1 63 63 PHE HD1 H 1 7.200 0.030 . 1 . . . . 63 PHE HD1 . 11402 1 713 . 1 1 63 63 PHE HD2 H 1 7.200 0.030 . 1 . . . . 63 PHE HD2 . 11402 1 714 . 1 1 63 63 PHE HE1 H 1 7.211 0.030 . 1 . . . . 63 PHE HE1 . 11402 1 715 . 1 1 63 63 PHE HE2 H 1 7.211 0.030 . 1 . . . . 63 PHE HE2 . 11402 1 716 . 1 1 63 63 PHE HZ H 1 7.253 0.030 . 1 . . . . 63 PHE HZ . 11402 1 717 . 1 1 63 63 PHE C C 13 178.040 0.300 . 1 . . . . 63 PHE C . 11402 1 718 . 1 1 63 63 PHE CA C 13 60.968 0.300 . 1 . . . . 63 PHE CA . 11402 1 719 . 1 1 63 63 PHE CB C 13 39.841 0.300 . 1 . . . . 63 PHE CB . 11402 1 720 . 1 1 63 63 PHE CD1 C 13 132.284 0.300 . 1 . . . . 63 PHE CD1 . 11402 1 721 . 1 1 63 63 PHE CD2 C 13 132.284 0.300 . 1 . . . . 63 PHE CD2 . 11402 1 722 . 1 1 63 63 PHE CE1 C 13 131.243 0.300 . 1 . . . . 63 PHE CE1 . 11402 1 723 . 1 1 63 63 PHE CE2 C 13 131.243 0.300 . 1 . . . . 63 PHE CE2 . 11402 1 724 . 1 1 63 63 PHE CZ C 13 129.433 0.300 . 1 . . . . 63 PHE CZ . 11402 1 725 . 1 1 63 63 PHE N N 15 120.716 0.300 . 1 . . . . 63 PHE N . 11402 1 726 . 1 1 64 64 GLU H H 1 8.707 0.030 . 1 . . . . 64 GLU H . 11402 1 727 . 1 1 64 64 GLU HA H 1 3.875 0.030 . 1 . . . . 64 GLU HA . 11402 1 728 . 1 1 64 64 GLU HB2 H 1 2.102 0.030 . 1 . . . . 64 GLU HB2 . 11402 1 729 . 1 1 64 64 GLU HB3 H 1 2.102 0.030 . 1 . . . . 64 GLU HB3 . 11402 1 730 . 1 1 64 64 GLU HG2 H 1 2.678 0.030 . 2 . . . . 64 GLU HG2 . 11402 1 731 . 1 1 64 64 GLU HG3 H 1 2.385 0.030 . 2 . . . . 64 GLU HG3 . 11402 1 732 . 1 1 64 64 GLU C C 13 179.024 0.300 . 1 . . . . 64 GLU C . 11402 1 733 . 1 1 64 64 GLU CA C 13 58.810 0.300 . 1 . . . . 64 GLU CA . 11402 1 734 . 1 1 64 64 GLU CB C 13 29.662 0.300 . 1 . . . . 64 GLU CB . 11402 1 735 . 1 1 64 64 GLU CG C 13 36.738 0.300 . 1 . . . . 64 GLU CG . 11402 1 736 . 1 1 64 64 GLU N N 15 119.046 0.300 . 1 . . . . 64 GLU N . 11402 1 737 . 1 1 65 65 SER H H 1 7.871 0.030 . 1 . . . . 65 SER H . 11402 1 738 . 1 1 65 65 SER HA H 1 4.334 0.030 . 1 . . . . 65 SER HA . 11402 1 739 . 1 1 65 65 SER HB2 H 1 3.995 0.030 . 1 . . . . 65 SER HB2 . 11402 1 740 . 1 1 65 65 SER HB3 H 1 3.995 0.030 . 1 . . . . 65 SER HB3 . 11402 1 741 . 1 1 65 65 SER C C 13 174.589 0.300 . 1 . . . . 65 SER C . 11402 1 742 . 1 1 65 65 SER CA C 13 60.270 0.300 . 1 . . . . 65 SER CA . 11402 1 743 . 1 1 65 65 SER CB C 13 63.534 0.300 . 1 . . . . 65 SER CB . 11402 1 744 . 1 1 65 65 SER N N 15 114.055 0.300 . 1 . . . . 65 SER N . 11402 1 745 . 1 1 66 66 LEU H H 1 7.363 0.030 . 1 . . . . 66 LEU H . 11402 1 746 . 1 1 66 66 LEU HA H 1 4.295 0.030 . 1 . . . . 66 LEU HA . 11402 1 747 . 1 1 66 66 LEU HB2 H 1 1.683 0.030 . 2 . . . . 66 LEU HB2 . 11402 1 748 . 1 1 66 66 LEU HB3 H 1 1.540 0.030 . 2 . . . . 66 LEU HB3 . 11402 1 749 . 1 1 66 66 LEU HD11 H 1 0.854 0.030 . 1 . . . . 66 LEU HD1 . 11402 1 750 . 1 1 66 66 LEU HD12 H 1 0.854 0.030 . 1 . . . . 66 LEU HD1 . 11402 1 751 . 1 1 66 66 LEU HD13 H 1 0.854 0.030 . 1 . . . . 66 LEU HD1 . 11402 1 752 . 1 1 66 66 LEU HD21 H 1 0.855 0.030 . 1 . . . . 66 LEU HD2 . 11402 1 753 . 1 1 66 66 LEU HD22 H 1 0.855 0.030 . 1 . . . . 66 LEU HD2 . 11402 1 754 . 1 1 66 66 LEU HD23 H 1 0.855 0.030 . 1 . . . . 66 LEU HD2 . 11402 1 755 . 1 1 66 66 LEU HG H 1 1.778 0.030 . 1 . . . . 66 LEU HG . 11402 1 756 . 1 1 66 66 LEU C C 13 177.450 0.300 . 1 . . . . 66 LEU C . 11402 1 757 . 1 1 66 66 LEU CA C 13 55.392 0.300 . 1 . . . . 66 LEU CA . 11402 1 758 . 1 1 66 66 LEU CB C 13 42.313 0.300 . 1 . . . . 66 LEU CB . 11402 1 759 . 1 1 66 66 LEU CD1 C 13 23.503 0.300 . 2 . . . . 66 LEU CD1 . 11402 1 760 . 1 1 66 66 LEU CD2 C 13 22.963 0.300 . 2 . . . . 66 LEU CD2 . 11402 1 761 . 1 1 66 66 LEU CG C 13 26.469 0.300 . 1 . . . . 66 LEU CG . 11402 1 762 . 1 1 66 66 LEU N N 15 121.403 0.300 . 1 . . . . 66 LEU N . 11402 1 763 . 1 1 67 67 GLN H H 1 7.688 0.030 . 1 . . . . 67 GLN H . 11402 1 764 . 1 1 67 67 GLN HA H 1 4.273 0.030 . 1 . . . . 67 GLN HA . 11402 1 765 . 1 1 67 67 GLN HB2 H 1 2.109 0.030 . 2 . . . . 67 GLN HB2 . 11402 1 766 . 1 1 67 67 GLN HB3 H 1 1.948 0.030 . 2 . . . . 67 GLN HB3 . 11402 1 767 . 1 1 67 67 GLN HE21 H 1 7.028 0.030 . 2 . . . . 67 GLN HE21 . 11402 1 768 . 1 1 67 67 GLN HE22 H 1 6.683 0.030 . 2 . . . . 67 GLN HE22 . 11402 1 769 . 1 1 67 67 GLN HG2 H 1 2.230 0.030 . 2 . . . . 67 GLN HG2 . 11402 1 770 . 1 1 67 67 GLN HG3 H 1 2.195 0.030 . 2 . . . . 67 GLN HG3 . 11402 1 771 . 1 1 67 67 GLN C C 13 175.084 0.300 . 1 . . . . 67 GLN C . 11402 1 772 . 1 1 67 67 GLN CA C 13 55.349 0.300 . 1 . . . . 67 GLN CA . 11402 1 773 . 1 1 67 67 GLN CB C 13 28.776 0.300 . 1 . . . . 67 GLN CB . 11402 1 774 . 1 1 67 67 GLN CG C 13 33.461 0.300 . 1 . . . . 67 GLN CG . 11402 1 775 . 1 1 67 67 GLN N N 15 119.910 0.300 . 1 . . . . 67 GLN N . 11402 1 776 . 1 1 67 67 GLN NE2 N 15 113.925 0.300 . 1 . . . . 67 GLN NE2 . 11402 1 777 . 1 1 68 68 VAL H H 1 7.569 0.030 . 1 . . . . 68 VAL H . 11402 1 778 . 1 1 68 68 VAL HA H 1 4.043 0.030 . 1 . . . . 68 VAL HA . 11402 1 779 . 1 1 68 68 VAL HB H 1 2.105 0.030 . 1 . . . . 68 VAL HB . 11402 1 780 . 1 1 68 68 VAL HG11 H 1 0.884 0.030 . 1 . . . . 68 VAL HG1 . 11402 1 781 . 1 1 68 68 VAL HG12 H 1 0.884 0.030 . 1 . . . . 68 VAL HG1 . 11402 1 782 . 1 1 68 68 VAL HG13 H 1 0.884 0.030 . 1 . . . . 68 VAL HG1 . 11402 1 783 . 1 1 68 68 VAL HG21 H 1 0.884 0.030 . 1 . . . . 68 VAL HG2 . 11402 1 784 . 1 1 68 68 VAL HG22 H 1 0.884 0.030 . 1 . . . . 68 VAL HG2 . 11402 1 785 . 1 1 68 68 VAL HG23 H 1 0.884 0.030 . 1 . . . . 68 VAL HG2 . 11402 1 786 . 1 1 68 68 VAL C C 13 181.043 0.300 . 1 . . . . 68 VAL C . 11402 1 787 . 1 1 68 68 VAL CA C 13 63.579 0.300 . 1 . . . . 68 VAL CA . 11402 1 788 . 1 1 68 68 VAL CB C 13 33.189 0.300 . 1 . . . . 68 VAL CB . 11402 1 789 . 1 1 68 68 VAL CG1 C 13 21.459 0.300 . 2 . . . . 68 VAL CG1 . 11402 1 790 . 1 1 68 68 VAL CG2 C 13 19.958 0.300 . 2 . . . . 68 VAL CG2 . 11402 1 791 . 1 1 68 68 VAL N N 15 124.498 0.300 . 1 . . . . 68 VAL N . 11402 1 stop_ save_