data_11259 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11259 _Entry.Title ; Solution Structure of CUE domain in the C-terminal of Human Toll-interacting Protein (Tollip) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-09 _Entry.Accession_date 2010-08-09 _Entry.Last_release_date 2011-08-17 _Entry.Original_release_date 2011-08-17 _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 C. Zhao . . . 11259 2 S. Koshiba . . . 11259 3 M. Inoue . . . 11259 4 T. Kigawa . . . 11259 5 S. Yokoyama . . . 11259 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)' . 11259 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11259 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 209 11259 '15N chemical shifts' 55 11259 '1H chemical shifts' 344 11259 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 . . 2011-08-17 2010-08-09 original author . 11259 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1WGL 'BMRB Entry Tracking System' 11259 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11259 _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 CUE domain in the C-terminal of Human Toll-interacting Protein (Tollip) ; _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 C. Zhao . . . 11259 1 2 S. Koshiba . . . 11259 1 3 M. Inoue . . . 11259 1 4 T. Kigawa . . . 11259 1 5 S. Yokoyama . . . 11259 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11259 _Assembly.ID 1 _Assembly.Name 'Toll-interacting protein' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'CUE domain' 1 $entity_1 A . yes native no no . . . 11259 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 1wgl . . . . . . 11259 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11259 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'CUE 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 ; GSSGSSGCSEEDLKAIQDMF PNMDQEVIRSVLEAQRGNKD AAINSLLQMGEEPSGPSSG ; _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 59 _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 1WGL . "Solution Structure Of Cue Domain In The C-Terminal Of Human Toll-Interacting Protein (Tollip)" . . . . . 100.00 59 100.00 100.00 1.65e-32 . . . . 11259 1 2 no DBJ BAB14283 . "unnamed protein product [Homo sapiens]" . . . . . 77.97 205 100.00 100.00 1.07e-21 . . . . 11259 1 3 no DBJ BAC04844 . "unnamed protein product [Homo sapiens]" . . . . . 77.97 213 100.00 100.00 5.23e-23 . . . . 11259 1 4 no DBJ BAE91749 . "unnamed protein product [Macaca fascicularis]" . . . . . 77.97 274 100.00 100.00 2.75e-21 . . . . 11259 1 5 no DBJ BAG37964 . "unnamed protein product [Homo sapiens]" . . . . . 77.97 274 100.00 100.00 2.86e-21 . . . . 11259 1 6 no DBJ BAG52240 . "unnamed protein product [Homo sapiens]" . . . . . 77.97 224 100.00 100.00 1.42e-21 . . . . 11259 1 7 no EMBL CAB58118 . "TOLLIP protein [Homo sapiens]" . . . . . 77.97 273 100.00 100.00 1.35e-21 . . . . 11259 1 8 no EMBL CAB66769 . "hypothetical protein [Homo sapiens]" . . . . . 77.97 274 100.00 100.00 2.86e-21 . . . . 11259 1 9 no EMBL CAG38508 . "TOLLIP [Homo sapiens]" . . . . . 77.97 274 100.00 100.00 2.86e-21 . . . . 11259 1 10 no EMBL CAL38251 . "hypothetical protein [synthetic construct]" . . . . . 77.97 274 100.00 100.00 2.86e-21 . . . . 11259 1 11 no GB AAH04420 . "Toll interacting protein [Homo sapiens]" . . . . . 77.97 274 100.00 100.00 2.86e-21 . . . . 11259 1 12 no GB AAH12057 . "Toll interacting protein [Homo sapiens]" . . . . . 77.97 274 100.00 100.00 2.86e-21 . . . . 11259 1 13 no GB AAH18272 . "Toll interacting protein [Homo sapiens]" . . . . . 77.97 274 100.00 100.00 2.86e-21 . . . . 11259 1 14 no GB AAX22229 . "toll interacting protein [Homo sapiens]" . . . . . 77.97 274 100.00 100.00 2.86e-21 . . . . 11259 1 15 no GB ABM82728 . "toll interacting protein [synthetic construct]" . . . . . 77.97 274 100.00 100.00 2.86e-21 . . . . 11259 1 16 no REF NP_001248200 . "toll-interacting protein [Macaca mulatta]" . . . . . 77.97 274 100.00 100.00 2.75e-21 . . . . 11259 1 17 no REF NP_061882 . "toll-interacting protein [Homo sapiens]" . . . . . 77.97 274 100.00 100.00 2.86e-21 . . . . 11259 1 18 no REF XP_002821400 . "PREDICTED: toll-interacting protein [Pongo abelii]" . . . . . 77.97 274 100.00 100.00 2.86e-21 . . . . 11259 1 19 no REF XP_003281379 . "PREDICTED: toll-interacting protein isoform X1 [Nomascus leucogenys]" . . . . . 77.97 274 100.00 100.00 2.86e-21 . . . . 11259 1 20 no REF XP_003909416 . "PREDICTED: toll-interacting protein isoform X1 [Papio anubis]" . . . . . 77.97 274 100.00 100.00 2.86e-21 . . . . 11259 1 21 no SP Q9H0E2 . "RecName: Full=Toll-interacting protein" . . . . . 77.97 274 100.00 100.00 2.86e-21 . . . . 11259 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CUE domain' . 11259 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 . 11259 1 2 . SER . 11259 1 3 . SER . 11259 1 4 . GLY . 11259 1 5 . SER . 11259 1 6 . SER . 11259 1 7 . GLY . 11259 1 8 . CYS . 11259 1 9 . SER . 11259 1 10 . GLU . 11259 1 11 . GLU . 11259 1 12 . ASP . 11259 1 13 . LEU . 11259 1 14 . LYS . 11259 1 15 . ALA . 11259 1 16 . ILE . 11259 1 17 . GLN . 11259 1 18 . ASP . 11259 1 19 . MET . 11259 1 20 . PHE . 11259 1 21 . PRO . 11259 1 22 . ASN . 11259 1 23 . MET . 11259 1 24 . ASP . 11259 1 25 . GLN . 11259 1 26 . GLU . 11259 1 27 . VAL . 11259 1 28 . ILE . 11259 1 29 . ARG . 11259 1 30 . SER . 11259 1 31 . VAL . 11259 1 32 . LEU . 11259 1 33 . GLU . 11259 1 34 . ALA . 11259 1 35 . GLN . 11259 1 36 . ARG . 11259 1 37 . GLY . 11259 1 38 . ASN . 11259 1 39 . LYS . 11259 1 40 . ASP . 11259 1 41 . ALA . 11259 1 42 . ALA . 11259 1 43 . ILE . 11259 1 44 . ASN . 11259 1 45 . SER . 11259 1 46 . LEU . 11259 1 47 . LEU . 11259 1 48 . GLN . 11259 1 49 . MET . 11259 1 50 . GLY . 11259 1 51 . GLU . 11259 1 52 . GLU . 11259 1 53 . PRO . 11259 1 54 . SER . 11259 1 55 . GLY . 11259 1 56 . PRO . 11259 1 57 . SER . 11259 1 58 . SER . 11259 1 59 . GLY . 11259 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 11259 1 . SER 2 2 11259 1 . SER 3 3 11259 1 . GLY 4 4 11259 1 . SER 5 5 11259 1 . SER 6 6 11259 1 . GLY 7 7 11259 1 . CYS 8 8 11259 1 . SER 9 9 11259 1 . GLU 10 10 11259 1 . GLU 11 11 11259 1 . ASP 12 12 11259 1 . LEU 13 13 11259 1 . LYS 14 14 11259 1 . ALA 15 15 11259 1 . ILE 16 16 11259 1 . GLN 17 17 11259 1 . ASP 18 18 11259 1 . MET 19 19 11259 1 . PHE 20 20 11259 1 . PRO 21 21 11259 1 . ASN 22 22 11259 1 . MET 23 23 11259 1 . ASP 24 24 11259 1 . GLN 25 25 11259 1 . GLU 26 26 11259 1 . VAL 27 27 11259 1 . ILE 28 28 11259 1 . ARG 29 29 11259 1 . SER 30 30 11259 1 . VAL 31 31 11259 1 . LEU 32 32 11259 1 . GLU 33 33 11259 1 . ALA 34 34 11259 1 . GLN 35 35 11259 1 . ARG 36 36 11259 1 . GLY 37 37 11259 1 . ASN 38 38 11259 1 . LYS 39 39 11259 1 . ASP 40 40 11259 1 . ALA 41 41 11259 1 . ALA 42 42 11259 1 . ILE 43 43 11259 1 . ASN 44 44 11259 1 . SER 45 45 11259 1 . LEU 46 46 11259 1 . LEU 47 47 11259 1 . GLN 48 48 11259 1 . MET 49 49 11259 1 . GLY 50 50 11259 1 . GLU 51 51 11259 1 . GLU 52 52 11259 1 . PRO 53 53 11259 1 . SER 54 54 11259 1 . GLY 55 55 11259 1 . PRO 56 56 11259 1 . SER 57 57 11259 1 . SER 58 58 11259 1 . GLY 59 59 11259 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 11259 _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 . . . . . . . . . . . . . . . . . . . . . 11259 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 11259 _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' . . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P040301-83 . . . . . . 11259 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11259 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20mM d-Tris-HCl {(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 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 'CUE domain' . . . 1 $entity_1 . protein . . . mM . . . . 11259 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11259 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11259 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11259 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11259 1 6 H2O . . . . . . solvent 90 . . % . . . . 11259 1 7 D2O . . . . . . solvent 10 . . % . . . . 11259 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 11259 _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' 100 0.1 mM 11259 1 pH 7.0 0.05 pH 11259 1 pressure 1 0.001 atm 11259 1 temperature 298.0 0.1 K 11259 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11259 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11259 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11259 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11259 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11259 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11259 2 stop_ save_ save_NMRview _Software.Sf_category software _Software.Sf_framecode NMRview _Software.Entry_ID 11259 _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.' . . 11259 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11259 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11259 _Software.ID 4 _Software.Name Kujira _Software.Version 0.8996 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11259 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11259 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11259 _Software.ID 5 _Software.Name CYANA _Software.Version 1.0.7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11259 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11259 5 'structure solution' 11259 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 11259 _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 11259 _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 . . . 11259 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 11259 _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 . . . . . . . . . . . . . . . . 11259 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11259 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 11259 _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 . . . . . . . . . 11259 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11259 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11259 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 11259 _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 11259 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11259 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 . . 11259 1 2 $NMRPipe . . 11259 1 3 $NMRview . . 11259 1 4 $Kujira . . 11259 1 5 $CYANA . . 11259 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 4.509 0.030 . 1 . . . . 6 SER HA . 11259 1 2 . 1 1 6 6 SER HB2 H 1 3.930 0.030 . 1 . . . . 6 SER HB2 . 11259 1 3 . 1 1 6 6 SER HB3 H 1 3.930 0.030 . 1 . . . . 6 SER HB3 . 11259 1 4 . 1 1 6 6 SER C C 13 174.963 0.300 . 1 . . . . 6 SER C . 11259 1 5 . 1 1 6 6 SER CA C 13 58.713 0.300 . 1 . . . . 6 SER CA . 11259 1 6 . 1 1 6 6 SER CB C 13 63.998 0.300 . 1 . . . . 6 SER CB . 11259 1 7 . 1 1 7 7 GLY H H 1 8.462 0.030 . 1 . . . . 7 GLY H . 11259 1 8 . 1 1 7 7 GLY HA2 H 1 4.004 0.030 . 1 . . . . 7 GLY HA2 . 11259 1 9 . 1 1 7 7 GLY HA3 H 1 4.004 0.030 . 1 . . . . 7 GLY HA3 . 11259 1 10 . 1 1 7 7 GLY C C 13 173.728 0.300 . 1 . . . . 7 GLY C . 11259 1 11 . 1 1 7 7 GLY CA C 13 45.471 0.300 . 1 . . . . 7 GLY CA . 11259 1 12 . 1 1 7 7 GLY N N 15 110.640 0.300 . 1 . . . . 7 GLY N . 11259 1 13 . 1 1 8 8 CYS H H 1 8.178 0.030 . 1 . . . . 8 CYS H . 11259 1 14 . 1 1 8 8 CYS HA H 1 4.594 0.030 . 1 . . . . 8 CYS HA . 11259 1 15 . 1 1 8 8 CYS HB2 H 1 2.793 0.030 . 2 . . . . 8 CYS HB2 . 11259 1 16 . 1 1 8 8 CYS HB3 H 1 2.926 0.030 . 2 . . . . 8 CYS HB3 . 11259 1 17 . 1 1 8 8 CYS C C 13 174.209 0.300 . 1 . . . . 8 CYS C . 11259 1 18 . 1 1 8 8 CYS CA C 13 57.826 0.300 . 1 . . . . 8 CYS CA . 11259 1 19 . 1 1 8 8 CYS CB C 13 28.861 0.300 . 1 . . . . 8 CYS CB . 11259 1 20 . 1 1 8 8 CYS N N 15 117.851 0.300 . 1 . . . . 8 CYS N . 11259 1 21 . 1 1 9 9 SER H H 1 9.076 0.030 . 1 . . . . 9 SER H . 11259 1 22 . 1 1 9 9 SER HA H 1 4.013 0.030 . 1 . . . . 9 SER HA . 11259 1 23 . 1 1 9 9 SER HB2 H 1 3.964 0.030 . 2 . . . . 9 SER HB2 . 11259 1 24 . 1 1 9 9 SER HB3 H 1 4.172 0.030 . 2 . . . . 9 SER HB3 . 11259 1 25 . 1 1 9 9 SER C C 13 175.646 0.300 . 1 . . . . 9 SER C . 11259 1 26 . 1 1 9 9 SER CA C 13 57.715 0.300 . 1 . . . . 9 SER CA . 11259 1 27 . 1 1 9 9 SER CB C 13 64.099 0.300 . 1 . . . . 9 SER CB . 11259 1 28 . 1 1 9 9 SER N N 15 120.060 0.300 . 1 . . . . 9 SER N . 11259 1 29 . 1 1 10 10 GLU H H 1 9.048 0.030 . 1 . . . . 10 GLU H . 11259 1 30 . 1 1 10 10 GLU HA H 1 4.025 0.030 . 1 . . . . 10 GLU HA . 11259 1 31 . 1 1 10 10 GLU HB2 H 1 2.058 0.030 . 1 . . . . 10 GLU HB2 . 11259 1 32 . 1 1 10 10 GLU HB3 H 1 2.058 0.030 . 1 . . . . 10 GLU HB3 . 11259 1 33 . 1 1 10 10 GLU HG2 H 1 2.323 0.030 . 2 . . . . 10 GLU HG2 . 11259 1 34 . 1 1 10 10 GLU HG3 H 1 2.395 0.030 . 2 . . . . 10 GLU HG3 . 11259 1 35 . 1 1 10 10 GLU C C 13 178.956 0.300 . 1 . . . . 10 GLU C . 11259 1 36 . 1 1 10 10 GLU CA C 13 59.300 0.300 . 1 . . . . 10 GLU CA . 11259 1 37 . 1 1 10 10 GLU CB C 13 29.436 0.300 . 1 . . . . 10 GLU CB . 11259 1 38 . 1 1 10 10 GLU CG C 13 36.614 0.300 . 1 . . . . 10 GLU CG . 11259 1 39 . 1 1 10 10 GLU N N 15 126.083 0.300 . 1 . . . . 10 GLU N . 11259 1 40 . 1 1 11 11 GLU H H 1 8.563 0.030 . 1 . . . . 11 GLU H . 11259 1 41 . 1 1 11 11 GLU HA H 1 4.035 0.030 . 1 . . . . 11 GLU HA . 11259 1 42 . 1 1 11 11 GLU HB2 H 1 2.014 0.030 . 1 . . . . 11 GLU HB2 . 11259 1 43 . 1 1 11 11 GLU HB3 H 1 2.014 0.030 . 1 . . . . 11 GLU HB3 . 11259 1 44 . 1 1 11 11 GLU HG2 H 1 2.331 0.030 . 1 . . . . 11 GLU HG2 . 11259 1 45 . 1 1 11 11 GLU HG3 H 1 2.331 0.030 . 1 . . . . 11 GLU HG3 . 11259 1 46 . 1 1 11 11 GLU C C 13 179.246 0.300 . 1 . . . . 11 GLU C . 11259 1 47 . 1 1 11 11 GLU CA C 13 59.540 0.300 . 1 . . . . 11 GLU CA . 11259 1 48 . 1 1 11 11 GLU CB C 13 29.231 0.300 . 1 . . . . 11 GLU CB . 11259 1 49 . 1 1 11 11 GLU CG C 13 36.778 0.300 . 1 . . . . 11 GLU CG . 11259 1 50 . 1 1 11 11 GLU N N 15 119.231 0.300 . 1 . . . . 11 GLU N . 11259 1 51 . 1 1 12 12 ASP H H 1 7.785 0.030 . 1 . . . . 12 ASP H . 11259 1 52 . 1 1 12 12 ASP HA H 1 4.477 0.030 . 1 . . . . 12 ASP HA . 11259 1 53 . 1 1 12 12 ASP HB2 H 1 2.856 0.030 . 2 . . . . 12 ASP HB2 . 11259 1 54 . 1 1 12 12 ASP HB3 H 1 2.333 0.030 . 2 . . . . 12 ASP HB3 . 11259 1 55 . 1 1 12 12 ASP C C 13 177.655 0.300 . 1 . . . . 12 ASP C . 11259 1 56 . 1 1 12 12 ASP CA C 13 57.318 0.300 . 1 . . . . 12 ASP CA . 11259 1 57 . 1 1 12 12 ASP CB C 13 40.414 0.300 . 1 . . . . 12 ASP CB . 11259 1 58 . 1 1 12 12 ASP N N 15 121.669 0.300 . 1 . . . . 12 ASP N . 11259 1 59 . 1 1 13 13 LEU H H 1 7.890 0.030 . 1 . . . . 13 LEU H . 11259 1 60 . 1 1 13 13 LEU HA H 1 3.813 0.030 . 1 . . . . 13 LEU HA . 11259 1 61 . 1 1 13 13 LEU HB2 H 1 1.726 0.030 . 2 . . . . 13 LEU HB2 . 11259 1 62 . 1 1 13 13 LEU HB3 H 1 1.609 0.030 . 2 . . . . 13 LEU HB3 . 11259 1 63 . 1 1 13 13 LEU HD11 H 1 0.845 0.030 . 1 . . . . 13 LEU HD1 . 11259 1 64 . 1 1 13 13 LEU HD12 H 1 0.845 0.030 . 1 . . . . 13 LEU HD1 . 11259 1 65 . 1 1 13 13 LEU HD13 H 1 0.845 0.030 . 1 . . . . 13 LEU HD1 . 11259 1 66 . 1 1 13 13 LEU HD21 H 1 0.838 0.030 . 1 . . . . 13 LEU HD2 . 11259 1 67 . 1 1 13 13 LEU HD22 H 1 0.838 0.030 . 1 . . . . 13 LEU HD2 . 11259 1 68 . 1 1 13 13 LEU HD23 H 1 0.838 0.030 . 1 . . . . 13 LEU HD2 . 11259 1 69 . 1 1 13 13 LEU HG H 1 1.578 0.030 . 1 . . . . 13 LEU HG . 11259 1 70 . 1 1 13 13 LEU C C 13 178.613 0.300 . 1 . . . . 13 LEU C . 11259 1 71 . 1 1 13 13 LEU CA C 13 58.551 0.300 . 1 . . . . 13 LEU CA . 11259 1 72 . 1 1 13 13 LEU CB C 13 41.607 0.300 . 1 . . . . 13 LEU CB . 11259 1 73 . 1 1 13 13 LEU CD1 C 13 25.163 0.300 . 2 . . . . 13 LEU CD1 . 11259 1 74 . 1 1 13 13 LEU CD2 C 13 24.720 0.300 . 2 . . . . 13 LEU CD2 . 11259 1 75 . 1 1 13 13 LEU CG C 13 26.835 0.300 . 1 . . . . 13 LEU CG . 11259 1 76 . 1 1 13 13 LEU N N 15 120.306 0.300 . 1 . . . . 13 LEU N . 11259 1 77 . 1 1 14 14 LYS H H 1 7.916 0.030 . 1 . . . . 14 LYS H . 11259 1 78 . 1 1 14 14 LYS HA H 1 4.004 0.030 . 1 . . . . 14 LYS HA . 11259 1 79 . 1 1 14 14 LYS HB2 H 1 1.891 0.030 . 1 . . . . 14 LYS HB2 . 11259 1 80 . 1 1 14 14 LYS HB3 H 1 1.891 0.030 . 1 . . . . 14 LYS HB3 . 11259 1 81 . 1 1 14 14 LYS HD2 H 1 1.631 0.030 . 2 . . . . 14 LYS HD2 . 11259 1 82 . 1 1 14 14 LYS HD3 H 1 1.737 0.030 . 2 . . . . 14 LYS HD3 . 11259 1 83 . 1 1 14 14 LYS HE2 H 1 2.993 0.030 . 1 . . . . 14 LYS HE2 . 11259 1 84 . 1 1 14 14 LYS HE3 H 1 2.993 0.030 . 1 . . . . 14 LYS HE3 . 11259 1 85 . 1 1 14 14 LYS HG2 H 1 1.442 0.030 . 2 . . . . 14 LYS HG2 . 11259 1 86 . 1 1 14 14 LYS HG3 H 1 1.525 0.030 . 2 . . . . 14 LYS HG3 . 11259 1 87 . 1 1 14 14 LYS C C 13 177.958 0.300 . 1 . . . . 14 LYS C . 11259 1 88 . 1 1 14 14 LYS CA C 13 58.959 0.300 . 1 . . . . 14 LYS CA . 11259 1 89 . 1 1 14 14 LYS CB C 13 32.150 0.300 . 1 . . . . 14 LYS CB . 11259 1 90 . 1 1 14 14 LYS CD C 13 28.815 0.300 . 1 . . . . 14 LYS CD . 11259 1 91 . 1 1 14 14 LYS CE C 13 42.452 0.300 . 1 . . . . 14 LYS CE . 11259 1 92 . 1 1 14 14 LYS CG C 13 25.124 0.300 . 1 . . . . 14 LYS CG . 11259 1 93 . 1 1 14 14 LYS N N 15 118.623 0.300 . 1 . . . . 14 LYS N . 11259 1 94 . 1 1 15 15 ALA H H 1 7.773 0.030 . 1 . . . . 15 ALA H . 11259 1 95 . 1 1 15 15 ALA HA H 1 4.165 0.030 . 1 . . . . 15 ALA HA . 11259 1 96 . 1 1 15 15 ALA HB1 H 1 1.561 0.030 . 1 . . . . 15 ALA HB . 11259 1 97 . 1 1 15 15 ALA HB2 H 1 1.561 0.030 . 1 . . . . 15 ALA HB . 11259 1 98 . 1 1 15 15 ALA HB3 H 1 1.561 0.030 . 1 . . . . 15 ALA HB . 11259 1 99 . 1 1 15 15 ALA C C 13 181.114 0.300 . 1 . . . . 15 ALA C . 11259 1 100 . 1 1 15 15 ALA CA C 13 54.986 0.300 . 1 . . . . 15 ALA CA . 11259 1 101 . 1 1 15 15 ALA CB C 13 18.293 0.300 . 1 . . . . 15 ALA CB . 11259 1 102 . 1 1 15 15 ALA N N 15 120.009 0.300 . 1 . . . . 15 ALA N . 11259 1 103 . 1 1 16 16 ILE H H 1 8.052 0.030 . 1 . . . . 16 ILE H . 11259 1 104 . 1 1 16 16 ILE HA H 1 3.827 0.030 . 1 . . . . 16 ILE HA . 11259 1 105 . 1 1 16 16 ILE HB H 1 1.843 0.030 . 1 . . . . 16 ILE HB . 11259 1 106 . 1 1 16 16 ILE HD11 H 1 0.827 0.030 . 1 . . . . 16 ILE HD1 . 11259 1 107 . 1 1 16 16 ILE HD12 H 1 0.827 0.030 . 1 . . . . 16 ILE HD1 . 11259 1 108 . 1 1 16 16 ILE HD13 H 1 0.827 0.030 . 1 . . . . 16 ILE HD1 . 11259 1 109 . 1 1 16 16 ILE HG12 H 1 0.921 0.030 . 2 . . . . 16 ILE HG12 . 11259 1 110 . 1 1 16 16 ILE HG13 H 1 2.064 0.030 . 2 . . . . 16 ILE HG13 . 11259 1 111 . 1 1 16 16 ILE HG21 H 1 0.989 0.030 . 1 . . . . 16 ILE HG2 . 11259 1 112 . 1 1 16 16 ILE HG22 H 1 0.989 0.030 . 1 . . . . 16 ILE HG2 . 11259 1 113 . 1 1 16 16 ILE HG23 H 1 0.989 0.030 . 1 . . . . 16 ILE HG2 . 11259 1 114 . 1 1 16 16 ILE C C 13 178.249 0.300 . 1 . . . . 16 ILE C . 11259 1 115 . 1 1 16 16 ILE CA C 13 65.474 0.300 . 1 . . . . 16 ILE CA . 11259 1 116 . 1 1 16 16 ILE CB C 13 37.742 0.300 . 1 . . . . 16 ILE CB . 11259 1 117 . 1 1 16 16 ILE CD1 C 13 14.574 0.300 . 1 . . . . 16 ILE CD1 . 11259 1 118 . 1 1 16 16 ILE CG1 C 13 28.545 0.300 . 1 . . . . 16 ILE CG1 . 11259 1 119 . 1 1 16 16 ILE CG2 C 13 20.331 0.300 . 1 . . . . 16 ILE CG2 . 11259 1 120 . 1 1 16 16 ILE N N 15 117.735 0.300 . 1 . . . . 16 ILE N . 11259 1 121 . 1 1 17 17 GLN H H 1 8.637 0.030 . 1 . . . . 17 GLN H . 11259 1 122 . 1 1 17 17 GLN HA H 1 3.972 0.030 . 1 . . . . 17 GLN HA . 11259 1 123 . 1 1 17 17 GLN HB2 H 1 2.203 0.030 . 1 . . . . 17 GLN HB2 . 11259 1 124 . 1 1 17 17 GLN HB3 H 1 2.203 0.030 . 1 . . . . 17 GLN HB3 . 11259 1 125 . 1 1 17 17 GLN HE21 H 1 7.067 0.030 . 2 . . . . 17 GLN HE21 . 11259 1 126 . 1 1 17 17 GLN HE22 H 1 7.195 0.030 . 2 . . . . 17 GLN HE22 . 11259 1 127 . 1 1 17 17 GLN HG2 H 1 2.320 0.030 . 2 . . . . 17 GLN HG2 . 11259 1 128 . 1 1 17 17 GLN HG3 H 1 2.500 0.030 . 2 . . . . 17 GLN HG3 . 11259 1 129 . 1 1 17 17 GLN C C 13 178.387 0.300 . 1 . . . . 17 GLN C . 11259 1 130 . 1 1 17 17 GLN CA C 13 59.288 0.300 . 1 . . . . 17 GLN CA . 11259 1 131 . 1 1 17 17 GLN CB C 13 29.025 0.300 . 1 . . . . 17 GLN CB . 11259 1 132 . 1 1 17 17 GLN CG C 13 34.822 0.300 . 1 . . . . 17 GLN CG . 11259 1 133 . 1 1 17 17 GLN N N 15 121.115 0.300 . 1 . . . . 17 GLN N . 11259 1 134 . 1 1 17 17 GLN NE2 N 15 111.985 0.300 . 1 . . . . 17 GLN NE2 . 11259 1 135 . 1 1 18 18 ASP H H 1 8.156 0.030 . 1 . . . . 18 ASP H . 11259 1 136 . 1 1 18 18 ASP HA H 1 4.357 0.030 . 1 . . . . 18 ASP HA . 11259 1 137 . 1 1 18 18 ASP HB2 H 1 2.724 0.030 . 2 . . . . 18 ASP HB2 . 11259 1 138 . 1 1 18 18 ASP HB3 H 1 2.579 0.030 . 2 . . . . 18 ASP HB3 . 11259 1 139 . 1 1 18 18 ASP C C 13 178.059 0.300 . 1 . . . . 18 ASP C . 11259 1 140 . 1 1 18 18 ASP CA C 13 56.544 0.300 . 1 . . . . 18 ASP CA . 11259 1 141 . 1 1 18 18 ASP CB C 13 40.455 0.300 . 1 . . . . 18 ASP CB . 11259 1 142 . 1 1 18 18 ASP N N 15 116.237 0.300 . 1 . . . . 18 ASP N . 11259 1 143 . 1 1 19 19 MET H H 1 7.349 0.030 . 1 . . . . 19 MET H . 11259 1 144 . 1 1 19 19 MET HA H 1 4.004 0.030 . 1 . . . . 19 MET HA . 11259 1 145 . 1 1 19 19 MET HB2 H 1 2.098 0.030 . 2 . . . . 19 MET HB2 . 11259 1 146 . 1 1 19 19 MET HB3 H 1 1.777 0.030 . 2 . . . . 19 MET HB3 . 11259 1 147 . 1 1 19 19 MET HE1 H 1 2.035 0.030 . 1 . . . . 19 MET HE . 11259 1 148 . 1 1 19 19 MET HE2 H 1 2.035 0.030 . 1 . . . . 19 MET HE . 11259 1 149 . 1 1 19 19 MET HE3 H 1 2.035 0.030 . 1 . . . . 19 MET HE . 11259 1 150 . 1 1 19 19 MET HG2 H 1 2.489 0.030 . 2 . . . . 19 MET HG2 . 11259 1 151 . 1 1 19 19 MET HG3 H 1 1.970 0.030 . 2 . . . . 19 MET HG3 . 11259 1 152 . 1 1 19 19 MET C C 13 175.308 0.300 . 1 . . . . 19 MET C . 11259 1 153 . 1 1 19 19 MET CA C 13 57.598 0.300 . 1 . . . . 19 MET CA . 11259 1 154 . 1 1 19 19 MET CB C 13 34.247 0.300 . 1 . . . . 19 MET CB . 11259 1 155 . 1 1 19 19 MET CE C 13 17.011 0.300 . 1 . . . . 19 MET CE . 11259 1 156 . 1 1 19 19 MET CG C 13 32.091 0.300 . 1 . . . . 19 MET CG . 11259 1 157 . 1 1 19 19 MET N N 15 118.227 0.300 . 1 . . . . 19 MET N . 11259 1 158 . 1 1 20 20 PHE H H 1 7.581 0.030 . 1 . . . . 20 PHE H . 11259 1 159 . 1 1 20 20 PHE HA H 1 5.067 0.030 . 1 . . . . 20 PHE HA . 11259 1 160 . 1 1 20 20 PHE HB2 H 1 2.842 0.030 . 2 . . . . 20 PHE HB2 . 11259 1 161 . 1 1 20 20 PHE HB3 H 1 3.038 0.030 . 2 . . . . 20 PHE HB3 . 11259 1 162 . 1 1 20 20 PHE HD1 H 1 7.399 0.030 . 1 . . . . 20 PHE HD1 . 11259 1 163 . 1 1 20 20 PHE HD2 H 1 7.399 0.030 . 1 . . . . 20 PHE HD2 . 11259 1 164 . 1 1 20 20 PHE HE1 H 1 7.136 0.030 . 1 . . . . 20 PHE HE1 . 11259 1 165 . 1 1 20 20 PHE HE2 H 1 7.136 0.030 . 1 . . . . 20 PHE HE2 . 11259 1 166 . 1 1 20 20 PHE HZ H 1 7.121 0.030 . 1 . . . . 20 PHE HZ . 11259 1 167 . 1 1 20 20 PHE C C 13 173.976 0.300 . 1 . . . . 20 PHE C . 11259 1 168 . 1 1 20 20 PHE CA C 13 55.147 0.300 . 1 . . . . 20 PHE CA . 11259 1 169 . 1 1 20 20 PHE CB C 13 39.628 0.300 . 1 . . . . 20 PHE CB . 11259 1 170 . 1 1 20 20 PHE CD1 C 13 133.183 0.300 . 1 . . . . 20 PHE CD1 . 11259 1 171 . 1 1 20 20 PHE CD2 C 13 133.183 0.300 . 1 . . . . 20 PHE CD2 . 11259 1 172 . 1 1 20 20 PHE CE1 C 13 130.390 0.300 . 1 . . . . 20 PHE CE1 . 11259 1 173 . 1 1 20 20 PHE CE2 C 13 130.390 0.300 . 1 . . . . 20 PHE CE2 . 11259 1 174 . 1 1 20 20 PHE CZ C 13 128.538 0.300 . 1 . . . . 20 PHE CZ . 11259 1 175 . 1 1 20 20 PHE N N 15 116.599 0.300 . 1 . . . . 20 PHE N . 11259 1 176 . 1 1 21 21 PRO HA H 1 4.605 0.030 . 1 . . . . 21 PRO HA . 11259 1 177 . 1 1 21 21 PRO HB2 H 1 2.343 0.030 . 2 . . . . 21 PRO HB2 . 11259 1 178 . 1 1 21 21 PRO HB3 H 1 1.974 0.030 . 2 . . . . 21 PRO HB3 . 11259 1 179 . 1 1 21 21 PRO HD2 H 1 3.320 0.030 . 2 . . . . 21 PRO HD2 . 11259 1 180 . 1 1 21 21 PRO HD3 H 1 3.583 0.030 . 2 . . . . 21 PRO HD3 . 11259 1 181 . 1 1 21 21 PRO HG2 H 1 1.849 0.030 . 2 . . . . 21 PRO HG2 . 11259 1 182 . 1 1 21 21 PRO HG3 H 1 1.989 0.030 . 2 . . . . 21 PRO HG3 . 11259 1 183 . 1 1 21 21 PRO C C 13 177.730 0.300 . 1 . . . . 21 PRO C . 11259 1 184 . 1 1 21 21 PRO CA C 13 64.847 0.300 . 1 . . . . 21 PRO CA . 11259 1 185 . 1 1 21 21 PRO CB C 13 32.197 0.300 . 1 . . . . 21 PRO CB . 11259 1 186 . 1 1 21 21 PRO CD C 13 50.354 0.300 . 1 . . . . 21 PRO CD . 11259 1 187 . 1 1 21 21 PRO CG C 13 27.269 0.300 . 1 . . . . 21 PRO CG . 11259 1 188 . 1 1 22 22 ASN H H 1 8.771 0.030 . 1 . . . . 22 ASN H . 11259 1 189 . 1 1 22 22 ASN HA H 1 4.846 0.030 . 1 . . . . 22 ASN HA . 11259 1 190 . 1 1 22 22 ASN HB2 H 1 2.814 0.030 . 2 . . . . 22 ASN HB2 . 11259 1 191 . 1 1 22 22 ASN HB3 H 1 2.962 0.030 . 2 . . . . 22 ASN HB3 . 11259 1 192 . 1 1 22 22 ASN HD21 H 1 7.051 0.030 . 2 . . . . 22 ASN HD21 . 11259 1 193 . 1 1 22 22 ASN HD22 H 1 7.690 0.030 . 2 . . . . 22 ASN HD22 . 11259 1 194 . 1 1 22 22 ASN C C 13 175.319 0.300 . 1 . . . . 22 ASN C . 11259 1 195 . 1 1 22 22 ASN CA C 13 53.104 0.300 . 1 . . . . 22 ASN CA . 11259 1 196 . 1 1 22 22 ASN CB C 13 38.646 0.300 . 1 . . . . 22 ASN CB . 11259 1 197 . 1 1 22 22 ASN N N 15 114.853 0.300 . 1 . . . . 22 ASN N . 11259 1 198 . 1 1 22 22 ASN ND2 N 15 114.211 0.300 . 1 . . . . 22 ASN ND2 . 11259 1 199 . 1 1 23 23 MET H H 1 7.668 0.030 . 1 . . . . 23 MET H . 11259 1 200 . 1 1 23 23 MET HA H 1 4.525 0.030 . 1 . . . . 23 MET HA . 11259 1 201 . 1 1 23 23 MET HB2 H 1 1.930 0.030 . 2 . . . . 23 MET HB2 . 11259 1 202 . 1 1 23 23 MET HB3 H 1 2.154 0.030 . 2 . . . . 23 MET HB3 . 11259 1 203 . 1 1 23 23 MET HE1 H 1 1.881 0.030 . 1 . . . . 23 MET HE . 11259 1 204 . 1 1 23 23 MET HE2 H 1 1.881 0.030 . 1 . . . . 23 MET HE . 11259 1 205 . 1 1 23 23 MET HE3 H 1 1.881 0.030 . 1 . . . . 23 MET HE . 11259 1 206 . 1 1 23 23 MET HG2 H 1 2.497 0.030 . 1 . . . . 23 MET HG2 . 11259 1 207 . 1 1 23 23 MET HG3 H 1 2.497 0.030 . 1 . . . . 23 MET HG3 . 11259 1 208 . 1 1 23 23 MET C C 13 175.383 0.300 . 1 . . . . 23 MET C . 11259 1 209 . 1 1 23 23 MET CA C 13 54.948 0.300 . 1 . . . . 23 MET CA . 11259 1 210 . 1 1 23 23 MET CB C 13 33.918 0.300 . 1 . . . . 23 MET CB . 11259 1 211 . 1 1 23 23 MET CE C 13 17.434 0.300 . 1 . . . . 23 MET CE . 11259 1 212 . 1 1 23 23 MET CG C 13 32.977 0.300 . 1 . . . . 23 MET CG . 11259 1 213 . 1 1 23 23 MET N N 15 120.551 0.300 . 1 . . . . 23 MET N . 11259 1 214 . 1 1 24 24 ASP H H 1 8.603 0.030 . 1 . . . . 24 ASP H . 11259 1 215 . 1 1 24 24 ASP HA H 1 4.494 0.030 . 1 . . . . 24 ASP HA . 11259 1 216 . 1 1 24 24 ASP HB2 H 1 2.724 0.030 . 1 . . . . 24 ASP HB2 . 11259 1 217 . 1 1 24 24 ASP HB3 H 1 2.724 0.030 . 1 . . . . 24 ASP HB3 . 11259 1 218 . 1 1 24 24 ASP C C 13 177.629 0.300 . 1 . . . . 24 ASP C . 11259 1 219 . 1 1 24 24 ASP CA C 13 54.733 0.300 . 1 . . . . 24 ASP CA . 11259 1 220 . 1 1 24 24 ASP CB C 13 42.637 0.300 . 1 . . . . 24 ASP CB . 11259 1 221 . 1 1 24 24 ASP N N 15 124.072 0.300 . 1 . . . . 24 ASP N . 11259 1 222 . 1 1 25 25 GLN H H 1 8.982 0.030 . 1 . . . . 25 GLN H . 11259 1 223 . 1 1 25 25 GLN HA H 1 3.866 0.030 . 1 . . . . 25 GLN HA . 11259 1 224 . 1 1 25 25 GLN HB2 H 1 2.204 0.030 . 2 . . . . 25 GLN HB2 . 11259 1 225 . 1 1 25 25 GLN HB3 H 1 2.149 0.030 . 2 . . . . 25 GLN HB3 . 11259 1 226 . 1 1 25 25 GLN HE21 H 1 6.830 0.030 . 2 . . . . 25 GLN HE21 . 11259 1 227 . 1 1 25 25 GLN HE22 H 1 7.751 0.030 . 2 . . . . 25 GLN HE22 . 11259 1 228 . 1 1 25 25 GLN HG2 H 1 2.372 0.030 . 2 . . . . 25 GLN HG2 . 11259 1 229 . 1 1 25 25 GLN HG3 H 1 2.440 0.030 . 2 . . . . 25 GLN HG3 . 11259 1 230 . 1 1 25 25 GLN C C 13 177.831 0.300 . 1 . . . . 25 GLN C . 11259 1 231 . 1 1 25 25 GLN CA C 13 59.730 0.300 . 1 . . . . 25 GLN CA . 11259 1 232 . 1 1 25 25 GLN CB C 13 28.943 0.300 . 1 . . . . 25 GLN CB . 11259 1 233 . 1 1 25 25 GLN CG C 13 34.475 0.300 . 1 . . . . 25 GLN CG . 11259 1 234 . 1 1 25 25 GLN N N 15 126.088 0.300 . 1 . . . . 25 GLN N . 11259 1 235 . 1 1 25 25 GLN NE2 N 15 111.691 0.300 . 1 . . . . 25 GLN NE2 . 11259 1 236 . 1 1 26 26 GLU H H 1 8.878 0.030 . 1 . . . . 26 GLU H . 11259 1 237 . 1 1 26 26 GLU HA H 1 4.161 0.030 . 1 . . . . 26 GLU HA . 11259 1 238 . 1 1 26 26 GLU HB2 H 1 2.077 0.030 . 1 . . . . 26 GLU HB2 . 11259 1 239 . 1 1 26 26 GLU HB3 H 1 2.077 0.030 . 1 . . . . 26 GLU HB3 . 11259 1 240 . 1 1 26 26 GLU HG2 H 1 2.351 0.030 . 1 . . . . 26 GLU HG2 . 11259 1 241 . 1 1 26 26 GLU HG3 H 1 2.351 0.030 . 1 . . . . 26 GLU HG3 . 11259 1 242 . 1 1 26 26 GLU C C 13 179.838 0.300 . 1 . . . . 26 GLU C . 11259 1 243 . 1 1 26 26 GLU CA C 13 58.742 0.300 . 1 . . . . 26 GLU CA . 11259 1 244 . 1 1 26 26 GLU CB C 13 28.984 0.300 . 1 . . . . 26 GLU CB . 11259 1 245 . 1 1 26 26 GLU CG C 13 36.449 0.300 . 1 . . . . 26 GLU CG . 11259 1 246 . 1 1 26 26 GLU N N 15 118.922 0.300 . 1 . . . . 26 GLU N . 11259 1 247 . 1 1 27 27 VAL H H 1 7.450 0.030 . 1 . . . . 27 VAL H . 11259 1 248 . 1 1 27 27 VAL HA H 1 3.713 0.030 . 1 . . . . 27 VAL HA . 11259 1 249 . 1 1 27 27 VAL HB H 1 2.236 0.030 . 1 . . . . 27 VAL HB . 11259 1 250 . 1 1 27 27 VAL HG11 H 1 0.859 0.030 . 1 . . . . 27 VAL HG1 . 11259 1 251 . 1 1 27 27 VAL HG12 H 1 0.859 0.030 . 1 . . . . 27 VAL HG1 . 11259 1 252 . 1 1 27 27 VAL HG13 H 1 0.859 0.030 . 1 . . . . 27 VAL HG1 . 11259 1 253 . 1 1 27 27 VAL HG21 H 1 1.064 0.030 . 1 . . . . 27 VAL HG2 . 11259 1 254 . 1 1 27 27 VAL HG22 H 1 1.064 0.030 . 1 . . . . 27 VAL HG2 . 11259 1 255 . 1 1 27 27 VAL HG23 H 1 1.064 0.030 . 1 . . . . 27 VAL HG2 . 11259 1 256 . 1 1 27 27 VAL C C 13 178.186 0.300 . 1 . . . . 27 VAL C . 11259 1 257 . 1 1 27 27 VAL CA C 13 65.990 0.300 . 1 . . . . 27 VAL CA . 11259 1 258 . 1 1 27 27 VAL CB C 13 31.580 0.300 . 1 . . . . 27 VAL CB . 11259 1 259 . 1 1 27 27 VAL CG1 C 13 20.973 0.300 . 2 . . . . 27 VAL CG1 . 11259 1 260 . 1 1 27 27 VAL CG2 C 13 22.634 0.300 . 2 . . . . 27 VAL CG2 . 11259 1 261 . 1 1 27 27 VAL N N 15 121.898 0.300 . 1 . . . . 27 VAL N . 11259 1 262 . 1 1 28 28 ILE H H 1 7.371 0.030 . 1 . . . . 28 ILE H . 11259 1 263 . 1 1 28 28 ILE HA H 1 3.351 0.030 . 1 . . . . 28 ILE HA . 11259 1 264 . 1 1 28 28 ILE HB H 1 1.866 0.030 . 1 . . . . 28 ILE HB . 11259 1 265 . 1 1 28 28 ILE HD11 H 1 0.872 0.030 . 1 . . . . 28 ILE HD1 . 11259 1 266 . 1 1 28 28 ILE HD12 H 1 0.872 0.030 . 1 . . . . 28 ILE HD1 . 11259 1 267 . 1 1 28 28 ILE HD13 H 1 0.872 0.030 . 1 . . . . 28 ILE HD1 . 11259 1 268 . 1 1 28 28 ILE HG12 H 1 0.928 0.030 . 2 . . . . 28 ILE HG12 . 11259 1 269 . 1 1 28 28 ILE HG13 H 1 1.624 0.030 . 2 . . . . 28 ILE HG13 . 11259 1 270 . 1 1 28 28 ILE HG21 H 1 0.830 0.030 . 1 . . . . 28 ILE HG2 . 11259 1 271 . 1 1 28 28 ILE HG22 H 1 0.830 0.030 . 1 . . . . 28 ILE HG2 . 11259 1 272 . 1 1 28 28 ILE HG23 H 1 0.830 0.030 . 1 . . . . 28 ILE HG2 . 11259 1 273 . 1 1 28 28 ILE C C 13 177.213 0.300 . 1 . . . . 28 ILE C . 11259 1 274 . 1 1 28 28 ILE CA C 13 66.138 0.300 . 1 . . . . 28 ILE CA . 11259 1 275 . 1 1 28 28 ILE CB C 13 37.577 0.300 . 1 . . . . 28 ILE CB . 11259 1 276 . 1 1 28 28 ILE CD1 C 13 14.107 0.300 . 1 . . . . 28 ILE CD1 . 11259 1 277 . 1 1 28 28 ILE CG1 C 13 29.062 0.300 . 1 . . . . 28 ILE CG1 . 11259 1 278 . 1 1 28 28 ILE CG2 C 13 17.899 0.300 . 1 . . . . 28 ILE CG2 . 11259 1 279 . 1 1 28 28 ILE N N 15 118.745 0.300 . 1 . . . . 28 ILE N . 11259 1 280 . 1 1 29 29 ARG H H 1 8.248 0.030 . 1 . . . . 29 ARG H . 11259 1 281 . 1 1 29 29 ARG HA H 1 3.784 0.030 . 1 . . . . 29 ARG HA . 11259 1 282 . 1 1 29 29 ARG HB2 H 1 1.868 0.030 . 1 . . . . 29 ARG HB2 . 11259 1 283 . 1 1 29 29 ARG HB3 H 1 1.868 0.030 . 1 . . . . 29 ARG HB3 . 11259 1 284 . 1 1 29 29 ARG HD2 H 1 3.217 0.030 . 1 . . . . 29 ARG HD2 . 11259 1 285 . 1 1 29 29 ARG HD3 H 1 3.217 0.030 . 1 . . . . 29 ARG HD3 . 11259 1 286 . 1 1 29 29 ARG HE H 1 7.797 0.030 . 1 . . . . 29 ARG HE . 11259 1 287 . 1 1 29 29 ARG HG2 H 1 1.688 0.030 . 2 . . . . 29 ARG HG2 . 11259 1 288 . 1 1 29 29 ARG HG3 H 1 1.557 0.030 . 2 . . . . 29 ARG HG3 . 11259 1 289 . 1 1 29 29 ARG C C 13 178.210 0.300 . 1 . . . . 29 ARG C . 11259 1 290 . 1 1 29 29 ARG CA C 13 60.221 0.300 . 1 . . . . 29 ARG CA . 11259 1 291 . 1 1 29 29 ARG CB C 13 30.053 0.300 . 1 . . . . 29 ARG CB . 11259 1 292 . 1 1 29 29 ARG CD C 13 43.028 0.300 . 1 . . . . 29 ARG CD . 11259 1 293 . 1 1 29 29 ARG CG C 13 27.485 0.300 . 1 . . . . 29 ARG CG . 11259 1 294 . 1 1 29 29 ARG N N 15 118.146 0.300 . 1 . . . . 29 ARG N . 11259 1 295 . 1 1 29 29 ARG NE N 15 83.366 0.300 . 1 . . . . 29 ARG NE . 11259 1 296 . 1 1 30 30 SER H H 1 7.962 0.030 . 1 . . . . 30 SER H . 11259 1 297 . 1 1 30 30 SER HA H 1 4.204 0.030 . 1 . . . . 30 SER HA . 11259 1 298 . 1 1 30 30 SER HB2 H 1 4.033 0.030 . 1 . . . . 30 SER HB2 . 11259 1 299 . 1 1 30 30 SER HB3 H 1 4.033 0.030 . 1 . . . . 30 SER HB3 . 11259 1 300 . 1 1 30 30 SER C C 13 177.667 0.300 . 1 . . . . 30 SER C . 11259 1 301 . 1 1 30 30 SER CA C 13 61.905 0.300 . 1 . . . . 30 SER CA . 11259 1 302 . 1 1 30 30 SER CB C 13 62.879 0.300 . 1 . . . . 30 SER CB . 11259 1 303 . 1 1 30 30 SER N N 15 114.119 0.300 . 1 . . . . 30 SER N . 11259 1 304 . 1 1 31 31 VAL H H 1 8.275 0.030 . 1 . . . . 31 VAL H . 11259 1 305 . 1 1 31 31 VAL HA H 1 3.814 0.030 . 1 . . . . 31 VAL HA . 11259 1 306 . 1 1 31 31 VAL HB H 1 2.046 0.030 . 1 . . . . 31 VAL HB . 11259 1 307 . 1 1 31 31 VAL HG11 H 1 0.955 0.030 . 1 . . . . 31 VAL HG1 . 11259 1 308 . 1 1 31 31 VAL HG12 H 1 0.955 0.030 . 1 . . . . 31 VAL HG1 . 11259 1 309 . 1 1 31 31 VAL HG13 H 1 0.955 0.030 . 1 . . . . 31 VAL HG1 . 11259 1 310 . 1 1 31 31 VAL HG21 H 1 0.981 0.030 . 1 . . . . 31 VAL HG2 . 11259 1 311 . 1 1 31 31 VAL HG22 H 1 0.981 0.030 . 1 . . . . 31 VAL HG2 . 11259 1 312 . 1 1 31 31 VAL HG23 H 1 0.981 0.030 . 1 . . . . 31 VAL HG2 . 11259 1 313 . 1 1 31 31 VAL C C 13 177.781 0.300 . 1 . . . . 31 VAL C . 11259 1 314 . 1 1 31 31 VAL CA C 13 66.342 0.300 . 1 . . . . 31 VAL CA . 11259 1 315 . 1 1 31 31 VAL CB C 13 31.697 0.300 . 1 . . . . 31 VAL CB . 11259 1 316 . 1 1 31 31 VAL CG1 C 13 21.931 0.300 . 2 . . . . 31 VAL CG1 . 11259 1 317 . 1 1 31 31 VAL CG2 C 13 22.839 0.300 . 2 . . . . 31 VAL CG2 . 11259 1 318 . 1 1 31 31 VAL N N 15 124.361 0.300 . 1 . . . . 31 VAL N . 11259 1 319 . 1 1 32 32 LEU H H 1 8.459 0.030 . 1 . . . . 32 LEU H . 11259 1 320 . 1 1 32 32 LEU HA H 1 3.842 0.030 . 1 . . . . 32 LEU HA . 11259 1 321 . 1 1 32 32 LEU HB2 H 1 1.898 0.030 . 2 . . . . 32 LEU HB2 . 11259 1 322 . 1 1 32 32 LEU HB3 H 1 1.393 0.030 . 2 . . . . 32 LEU HB3 . 11259 1 323 . 1 1 32 32 LEU HD11 H 1 0.827 0.030 . 1 . . . . 32 LEU HD1 . 11259 1 324 . 1 1 32 32 LEU HD12 H 1 0.827 0.030 . 1 . . . . 32 LEU HD1 . 11259 1 325 . 1 1 32 32 LEU HD13 H 1 0.827 0.030 . 1 . . . . 32 LEU HD1 . 11259 1 326 . 1 1 32 32 LEU HD21 H 1 0.697 0.030 . 1 . . . . 32 LEU HD2 . 11259 1 327 . 1 1 32 32 LEU HD22 H 1 0.697 0.030 . 1 . . . . 32 LEU HD2 . 11259 1 328 . 1 1 32 32 LEU HD23 H 1 0.697 0.030 . 1 . . . . 32 LEU HD2 . 11259 1 329 . 1 1 32 32 LEU HG H 1 1.573 0.030 . 1 . . . . 32 LEU HG . 11259 1 330 . 1 1 32 32 LEU C C 13 179.485 0.300 . 1 . . . . 32 LEU C . 11259 1 331 . 1 1 32 32 LEU CA C 13 58.718 0.300 . 1 . . . . 32 LEU CA . 11259 1 332 . 1 1 32 32 LEU CB C 13 41.854 0.300 . 1 . . . . 32 LEU CB . 11259 1 333 . 1 1 32 32 LEU CD1 C 13 25.580 0.300 . 2 . . . . 32 LEU CD1 . 11259 1 334 . 1 1 32 32 LEU CD2 C 13 23.560 0.300 . 2 . . . . 32 LEU CD2 . 11259 1 335 . 1 1 32 32 LEU CG C 13 27.568 0.300 . 1 . . . . 32 LEU CG . 11259 1 336 . 1 1 32 32 LEU N N 15 121.279 0.300 . 1 . . . . 32 LEU N . 11259 1 337 . 1 1 33 33 GLU H H 1 8.440 0.030 . 1 . . . . 33 GLU H . 11259 1 338 . 1 1 33 33 GLU HA H 1 3.974 0.030 . 1 . . . . 33 GLU HA . 11259 1 339 . 1 1 33 33 GLU HB2 H 1 2.054 0.030 . 2 . . . . 33 GLU HB2 . 11259 1 340 . 1 1 33 33 GLU HB3 H 1 2.110 0.030 . 2 . . . . 33 GLU HB3 . 11259 1 341 . 1 1 33 33 GLU HG2 H 1 2.193 0.030 . 2 . . . . 33 GLU HG2 . 11259 1 342 . 1 1 33 33 GLU HG3 H 1 2.420 0.030 . 2 . . . . 33 GLU HG3 . 11259 1 343 . 1 1 33 33 GLU C C 13 180.963 0.300 . 1 . . . . 33 GLU C . 11259 1 344 . 1 1 33 33 GLU CA C 13 59.587 0.300 . 1 . . . . 33 GLU CA . 11259 1 345 . 1 1 33 33 GLU CB C 13 29.518 0.300 . 1 . . . . 33 GLU CB . 11259 1 346 . 1 1 33 33 GLU CG C 13 36.778 0.300 . 1 . . . . 33 GLU CG . 11259 1 347 . 1 1 33 33 GLU N N 15 118.583 0.300 . 1 . . . . 33 GLU N . 11259 1 348 . 1 1 34 34 ALA H H 1 8.326 0.030 . 1 . . . . 34 ALA H . 11259 1 349 . 1 1 34 34 ALA HA H 1 4.193 0.030 . 1 . . . . 34 ALA HA . 11259 1 350 . 1 1 34 34 ALA HB1 H 1 1.603 0.030 . 1 . . . . 34 ALA HB . 11259 1 351 . 1 1 34 34 ALA HB2 H 1 1.603 0.030 . 1 . . . . 34 ALA HB . 11259 1 352 . 1 1 34 34 ALA HB3 H 1 1.603 0.030 . 1 . . . . 34 ALA HB . 11259 1 353 . 1 1 34 34 ALA C C 13 179.701 0.300 . 1 . . . . 34 ALA C . 11259 1 354 . 1 1 34 34 ALA CA C 13 55.090 0.300 . 1 . . . . 34 ALA CA . 11259 1 355 . 1 1 34 34 ALA CB C 13 18.084 0.300 . 1 . . . . 34 ALA CB . 11259 1 356 . 1 1 34 34 ALA N N 15 125.019 0.300 . 1 . . . . 34 ALA N . 11259 1 357 . 1 1 35 35 GLN H H 1 7.748 0.030 . 1 . . . . 35 GLN H . 11259 1 358 . 1 1 35 35 GLN HA H 1 4.585 0.030 . 1 . . . . 35 GLN HA . 11259 1 359 . 1 1 35 35 GLN HB2 H 1 2.656 0.030 . 2 . . . . 35 GLN HB2 . 11259 1 360 . 1 1 35 35 GLN HB3 H 1 1.712 0.030 . 2 . . . . 35 GLN HB3 . 11259 1 361 . 1 1 35 35 GLN HE21 H 1 6.733 0.030 . 2 . . . . 35 GLN HE21 . 11259 1 362 . 1 1 35 35 GLN HE22 H 1 7.177 0.030 . 2 . . . . 35 GLN HE22 . 11259 1 363 . 1 1 35 35 GLN HG2 H 1 2.698 0.030 . 2 . . . . 35 GLN HG2 . 11259 1 364 . 1 1 35 35 GLN HG3 H 1 1.833 0.030 . 2 . . . . 35 GLN HG3 . 11259 1 365 . 1 1 35 35 GLN C C 13 175.939 0.300 . 1 . . . . 35 GLN C . 11259 1 366 . 1 1 35 35 GLN CA C 13 53.647 0.300 . 1 . . . . 35 GLN CA . 11259 1 367 . 1 1 35 35 GLN CB C 13 26.726 0.300 . 1 . . . . 35 GLN CB . 11259 1 368 . 1 1 35 35 GLN CG C 13 31.515 0.300 . 1 . . . . 35 GLN CG . 11259 1 369 . 1 1 35 35 GLN N N 15 113.584 0.300 . 1 . . . . 35 GLN N . 11259 1 370 . 1 1 35 35 GLN NE2 N 15 112.087 0.300 . 1 . . . . 35 GLN NE2 . 11259 1 371 . 1 1 36 36 ARG H H 1 8.171 0.030 . 1 . . . . 36 ARG H . 11259 1 372 . 1 1 36 36 ARG HA H 1 3.993 0.030 . 1 . . . . 36 ARG HA . 11259 1 373 . 1 1 36 36 ARG HB2 H 1 1.982 0.030 . 2 . . . . 36 ARG HB2 . 11259 1 374 . 1 1 36 36 ARG HB3 H 1 2.045 0.030 . 2 . . . . 36 ARG HB3 . 11259 1 375 . 1 1 36 36 ARG HD2 H 1 3.240 0.030 . 1 . . . . 36 ARG HD2 . 11259 1 376 . 1 1 36 36 ARG HD3 H 1 3.240 0.030 . 1 . . . . 36 ARG HD3 . 11259 1 377 . 1 1 36 36 ARG HG2 H 1 1.619 0.030 . 1 . . . . 36 ARG HG2 . 11259 1 378 . 1 1 36 36 ARG HG3 H 1 1.619 0.030 . 1 . . . . 36 ARG HG3 . 11259 1 379 . 1 1 36 36 ARG C C 13 176.824 0.300 . 1 . . . . 36 ARG C . 11259 1 380 . 1 1 36 36 ARG CA C 13 56.711 0.300 . 1 . . . . 36 ARG CA . 11259 1 381 . 1 1 36 36 ARG CB C 13 26.887 0.300 . 1 . . . . 36 ARG CB . 11259 1 382 . 1 1 36 36 ARG CD C 13 43.382 0.300 . 1 . . . . 36 ARG CD . 11259 1 383 . 1 1 36 36 ARG CG C 13 27.239 0.300 . 1 . . . . 36 ARG CG . 11259 1 384 . 1 1 36 36 ARG N N 15 117.607 0.300 . 1 . . . . 36 ARG N . 11259 1 385 . 1 1 37 37 GLY H H 1 8.669 0.030 . 1 . . . . 37 GLY H . 11259 1 386 . 1 1 37 37 GLY HA2 H 1 4.138 0.030 . 2 . . . . 37 GLY HA2 . 11259 1 387 . 1 1 37 37 GLY HA3 H 1 3.353 0.030 . 2 . . . . 37 GLY HA3 . 11259 1 388 . 1 1 37 37 GLY C C 13 173.489 0.300 . 1 . . . . 37 GLY C . 11259 1 389 . 1 1 37 37 GLY CA C 13 45.794 0.300 . 1 . . . . 37 GLY CA . 11259 1 390 . 1 1 37 37 GLY N N 15 104.014 0.300 . 1 . . . . 37 GLY N . 11259 1 391 . 1 1 38 38 ASN H H 1 7.361 0.030 . 1 . . . . 38 ASN H . 11259 1 392 . 1 1 38 38 ASN HA H 1 4.655 0.030 . 1 . . . . 38 ASN HA . 11259 1 393 . 1 1 38 38 ASN HB2 H 1 3.184 0.030 . 2 . . . . 38 ASN HB2 . 11259 1 394 . 1 1 38 38 ASN HB3 H 1 2.811 0.030 . 2 . . . . 38 ASN HB3 . 11259 1 395 . 1 1 38 38 ASN HD21 H 1 7.163 0.030 . 2 . . . . 38 ASN HD21 . 11259 1 396 . 1 1 38 38 ASN HD22 H 1 7.725 0.030 . 2 . . . . 38 ASN HD22 . 11259 1 397 . 1 1 38 38 ASN C C 13 174.135 0.300 . 1 . . . . 38 ASN C . 11259 1 398 . 1 1 38 38 ASN CA C 13 53.166 0.300 . 1 . . . . 38 ASN CA . 11259 1 399 . 1 1 38 38 ASN CB C 13 38.729 0.300 . 1 . . . . 38 ASN CB . 11259 1 400 . 1 1 38 38 ASN N N 15 118.961 0.300 . 1 . . . . 38 ASN N . 11259 1 401 . 1 1 38 38 ASN ND2 N 15 113.200 0.300 . 1 . . . . 38 ASN ND2 . 11259 1 402 . 1 1 39 39 LYS H H 1 8.661 0.030 . 1 . . . . 39 LYS H . 11259 1 403 . 1 1 39 39 LYS HA H 1 3.680 0.030 . 1 . . . . 39 LYS HA . 11259 1 404 . 1 1 39 39 LYS HB2 H 1 1.789 0.030 . 1 . . . . 39 LYS HB2 . 11259 1 405 . 1 1 39 39 LYS HB3 H 1 1.789 0.030 . 1 . . . . 39 LYS HB3 . 11259 1 406 . 1 1 39 39 LYS HD2 H 1 1.673 0.030 . 1 . . . . 39 LYS HD2 . 11259 1 407 . 1 1 39 39 LYS HD3 H 1 1.673 0.030 . 1 . . . . 39 LYS HD3 . 11259 1 408 . 1 1 39 39 LYS HE2 H 1 2.807 0.030 . 2 . . . . 39 LYS HE2 . 11259 1 409 . 1 1 39 39 LYS HE3 H 1 2.955 0.030 . 2 . . . . 39 LYS HE3 . 11259 1 410 . 1 1 39 39 LYS HG2 H 1 1.347 0.030 . 2 . . . . 39 LYS HG2 . 11259 1 411 . 1 1 39 39 LYS HG3 H 1 1.404 0.030 . 2 . . . . 39 LYS HG3 . 11259 1 412 . 1 1 39 39 LYS C C 13 176.947 0.300 . 1 . . . . 39 LYS C . 11259 1 413 . 1 1 39 39 LYS CA C 13 60.345 0.300 . 1 . . . . 39 LYS CA . 11259 1 414 . 1 1 39 39 LYS CB C 13 32.643 0.300 . 1 . . . . 39 LYS CB . 11259 1 415 . 1 1 39 39 LYS CD C 13 29.623 0.300 . 1 . . . . 39 LYS CD . 11259 1 416 . 1 1 39 39 LYS CE C 13 41.630 0.300 . 1 . . . . 39 LYS CE . 11259 1 417 . 1 1 39 39 LYS CG C 13 24.689 0.300 . 1 . . . . 39 LYS CG . 11259 1 418 . 1 1 39 39 LYS N N 15 129.144 0.300 . 1 . . . . 39 LYS N . 11259 1 419 . 1 1 40 40 ASP H H 1 8.195 0.030 . 1 . . . . 40 ASP H . 11259 1 420 . 1 1 40 40 ASP HA H 1 4.362 0.030 . 1 . . . . 40 ASP HA . 11259 1 421 . 1 1 40 40 ASP HB2 H 1 2.630 0.030 . 2 . . . . 40 ASP HB2 . 11259 1 422 . 1 1 40 40 ASP HB3 H 1 2.686 0.030 . 2 . . . . 40 ASP HB3 . 11259 1 423 . 1 1 40 40 ASP C C 13 178.792 0.300 . 1 . . . . 40 ASP C . 11259 1 424 . 1 1 40 40 ASP CA C 13 57.803 0.300 . 1 . . . . 40 ASP CA . 11259 1 425 . 1 1 40 40 ASP CB C 13 40.298 0.300 . 1 . . . . 40 ASP CB . 11259 1 426 . 1 1 40 40 ASP N N 15 118.475 0.300 . 1 . . . . 40 ASP N . 11259 1 427 . 1 1 41 41 ALA H H 1 8.002 0.030 . 1 . . . . 41 ALA H . 11259 1 428 . 1 1 41 41 ALA HA H 1 4.159 0.030 . 1 . . . . 41 ALA HA . 11259 1 429 . 1 1 41 41 ALA HB1 H 1 1.460 0.030 . 1 . . . . 41 ALA HB . 11259 1 430 . 1 1 41 41 ALA HB2 H 1 1.460 0.030 . 1 . . . . 41 ALA HB . 11259 1 431 . 1 1 41 41 ALA HB3 H 1 1.460 0.030 . 1 . . . . 41 ALA HB . 11259 1 432 . 1 1 41 41 ALA C C 13 180.912 0.300 . 1 . . . . 41 ALA C . 11259 1 433 . 1 1 41 41 ALA CA C 13 54.428 0.300 . 1 . . . . 41 ALA CA . 11259 1 434 . 1 1 41 41 ALA CB C 13 18.340 0.300 . 1 . . . . 41 ALA CB . 11259 1 435 . 1 1 41 41 ALA N N 15 122.528 0.300 . 1 . . . . 41 ALA N . 11259 1 436 . 1 1 42 42 ALA H H 1 8.329 0.030 . 1 . . . . 42 ALA H . 11259 1 437 . 1 1 42 42 ALA HA H 1 3.821 0.030 . 1 . . . . 42 ALA HA . 11259 1 438 . 1 1 42 42 ALA HB1 H 1 1.356 0.030 . 1 . . . . 42 ALA HB . 11259 1 439 . 1 1 42 42 ALA HB2 H 1 1.356 0.030 . 1 . . . . 42 ALA HB . 11259 1 440 . 1 1 42 42 ALA HB3 H 1 1.356 0.030 . 1 . . . . 42 ALA HB . 11259 1 441 . 1 1 42 42 ALA C C 13 178.527 0.300 . 1 . . . . 42 ALA C . 11259 1 442 . 1 1 42 42 ALA CA C 13 55.361 0.300 . 1 . . . . 42 ALA CA . 11259 1 443 . 1 1 42 42 ALA CB C 13 18.542 0.300 . 1 . . . . 42 ALA CB . 11259 1 444 . 1 1 42 42 ALA N N 15 121.693 0.300 . 1 . . . . 42 ALA N . 11259 1 445 . 1 1 43 43 ILE H H 1 8.561 0.030 . 1 . . . . 43 ILE H . 11259 1 446 . 1 1 43 43 ILE HA H 1 3.550 0.030 . 1 . . . . 43 ILE HA . 11259 1 447 . 1 1 43 43 ILE HB H 1 2.003 0.030 . 1 . . . . 43 ILE HB . 11259 1 448 . 1 1 43 43 ILE HD11 H 1 0.943 0.030 . 1 . . . . 43 ILE HD1 . 11259 1 449 . 1 1 43 43 ILE HD12 H 1 0.943 0.030 . 1 . . . . 43 ILE HD1 . 11259 1 450 . 1 1 43 43 ILE HD13 H 1 0.943 0.030 . 1 . . . . 43 ILE HD1 . 11259 1 451 . 1 1 43 43 ILE HG12 H 1 1.187 0.030 . 2 . . . . 43 ILE HG12 . 11259 1 452 . 1 1 43 43 ILE HG13 H 1 1.972 0.030 . 2 . . . . 43 ILE HG13 . 11259 1 453 . 1 1 43 43 ILE HG21 H 1 1.090 0.030 . 1 . . . . 43 ILE HG2 . 11259 1 454 . 1 1 43 43 ILE HG22 H 1 1.090 0.030 . 1 . . . . 43 ILE HG2 . 11259 1 455 . 1 1 43 43 ILE HG23 H 1 1.090 0.030 . 1 . . . . 43 ILE HG2 . 11259 1 456 . 1 1 43 43 ILE C C 13 177.417 0.300 . 1 . . . . 43 ILE C . 11259 1 457 . 1 1 43 43 ILE CA C 13 66.742 0.300 . 1 . . . . 43 ILE CA . 11259 1 458 . 1 1 43 43 ILE CB C 13 38.359 0.300 . 1 . . . . 43 ILE CB . 11259 1 459 . 1 1 43 43 ILE CD1 C 13 14.821 0.300 . 1 . . . . 43 ILE CD1 . 11259 1 460 . 1 1 43 43 ILE CG1 C 13 31.104 0.300 . 1 . . . . 43 ILE CG1 . 11259 1 461 . 1 1 43 43 ILE CG2 C 13 17.211 0.300 . 1 . . . . 43 ILE CG2 . 11259 1 462 . 1 1 43 43 ILE N N 15 118.903 0.300 . 1 . . . . 43 ILE N . 11259 1 463 . 1 1 44 44 ASN H H 1 7.918 0.030 . 1 . . . . 44 ASN H . 11259 1 464 . 1 1 44 44 ASN HA H 1 4.448 0.030 . 1 . . . . 44 ASN HA . 11259 1 465 . 1 1 44 44 ASN HB2 H 1 2.814 0.030 . 1 . . . . 44 ASN HB2 . 11259 1 466 . 1 1 44 44 ASN HB3 H 1 2.814 0.030 . 1 . . . . 44 ASN HB3 . 11259 1 467 . 1 1 44 44 ASN HD21 H 1 6.880 0.030 . 2 . . . . 44 ASN HD21 . 11259 1 468 . 1 1 44 44 ASN HD22 H 1 7.610 0.030 . 2 . . . . 44 ASN HD22 . 11259 1 469 . 1 1 44 44 ASN C C 13 177.934 0.300 . 1 . . . . 44 ASN C . 11259 1 470 . 1 1 44 44 ASN CA C 13 56.966 0.300 . 1 . . . . 44 ASN CA . 11259 1 471 . 1 1 44 44 ASN CB C 13 38.382 0.300 . 1 . . . . 44 ASN CB . 11259 1 472 . 1 1 44 44 ASN N N 15 116.359 0.300 . 1 . . . . 44 ASN N . 11259 1 473 . 1 1 44 44 ASN ND2 N 15 113.067 0.300 . 1 . . . . 44 ASN ND2 . 11259 1 474 . 1 1 45 45 SER H H 1 8.013 0.030 . 1 . . . . 45 SER H . 11259 1 475 . 1 1 45 45 SER HA H 1 4.159 0.030 . 1 . . . . 45 SER HA . 11259 1 476 . 1 1 45 45 SER HB2 H 1 3.848 0.030 . 2 . . . . 45 SER HB2 . 11259 1 477 . 1 1 45 45 SER HB3 H 1 3.947 0.030 . 2 . . . . 45 SER HB3 . 11259 1 478 . 1 1 45 45 SER C C 13 176.986 0.300 . 1 . . . . 45 SER C . 11259 1 479 . 1 1 45 45 SER CA C 13 62.372 0.300 . 1 . . . . 45 SER CA . 11259 1 480 . 1 1 45 45 SER CB C 13 63.283 0.300 . 1 . . . . 45 SER CB . 11259 1 481 . 1 1 45 45 SER N N 15 115.554 0.300 . 1 . . . . 45 SER N . 11259 1 482 . 1 1 46 46 LEU H H 1 8.148 0.030 . 1 . . . . 46 LEU H . 11259 1 483 . 1 1 46 46 LEU HA H 1 3.911 0.030 . 1 . . . . 46 LEU HA . 11259 1 484 . 1 1 46 46 LEU HB2 H 1 1.512 0.030 . 2 . . . . 46 LEU HB2 . 11259 1 485 . 1 1 46 46 LEU HB3 H 1 0.288 0.030 . 2 . . . . 46 LEU HB3 . 11259 1 486 . 1 1 46 46 LEU HD11 H 1 0.382 0.030 . 1 . . . . 46 LEU HD1 . 11259 1 487 . 1 1 46 46 LEU HD12 H 1 0.382 0.030 . 1 . . . . 46 LEU HD1 . 11259 1 488 . 1 1 46 46 LEU HD13 H 1 0.382 0.030 . 1 . . . . 46 LEU HD1 . 11259 1 489 . 1 1 46 46 LEU HD21 H 1 0.599 0.030 . 1 . . . . 46 LEU HD2 . 11259 1 490 . 1 1 46 46 LEU HD22 H 1 0.599 0.030 . 1 . . . . 46 LEU HD2 . 11259 1 491 . 1 1 46 46 LEU HD23 H 1 0.599 0.030 . 1 . . . . 46 LEU HD2 . 11259 1 492 . 1 1 46 46 LEU HG H 1 1.623 0.030 . 1 . . . . 46 LEU HG . 11259 1 493 . 1 1 46 46 LEU C C 13 179.790 0.300 . 1 . . . . 46 LEU C . 11259 1 494 . 1 1 46 46 LEU CA C 13 58.001 0.300 . 1 . . . . 46 LEU CA . 11259 1 495 . 1 1 46 46 LEU CB C 13 40.990 0.300 . 1 . . . . 46 LEU CB . 11259 1 496 . 1 1 46 46 LEU CD1 C 13 27.052 0.300 . 2 . . . . 46 LEU CD1 . 11259 1 497 . 1 1 46 46 LEU CD2 C 13 23.671 0.300 . 2 . . . . 46 LEU CD2 . 11259 1 498 . 1 1 46 46 LEU CG C 13 27.052 0.300 . 1 . . . . 46 LEU CG . 11259 1 499 . 1 1 46 46 LEU N N 15 123.213 0.300 . 1 . . . . 46 LEU N . 11259 1 500 . 1 1 47 47 LEU H H 1 8.426 0.030 . 1 . . . . 47 LEU H . 11259 1 501 . 1 1 47 47 LEU HA H 1 4.265 0.030 . 1 . . . . 47 LEU HA . 11259 1 502 . 1 1 47 47 LEU HB2 H 1 2.066 0.030 . 2 . . . . 47 LEU HB2 . 11259 1 503 . 1 1 47 47 LEU HB3 H 1 1.586 0.030 . 2 . . . . 47 LEU HB3 . 11259 1 504 . 1 1 47 47 LEU HD11 H 1 1.010 0.030 . 1 . . . . 47 LEU HD1 . 11259 1 505 . 1 1 47 47 LEU HD12 H 1 1.010 0.030 . 1 . . . . 47 LEU HD1 . 11259 1 506 . 1 1 47 47 LEU HD13 H 1 1.010 0.030 . 1 . . . . 47 LEU HD1 . 11259 1 507 . 1 1 47 47 LEU HD21 H 1 1.072 0.030 . 1 . . . . 47 LEU HD2 . 11259 1 508 . 1 1 47 47 LEU HD22 H 1 1.072 0.030 . 1 . . . . 47 LEU HD2 . 11259 1 509 . 1 1 47 47 LEU HD23 H 1 1.072 0.030 . 1 . . . . 47 LEU HD2 . 11259 1 510 . 1 1 47 47 LEU HG H 1 2.088 0.030 . 1 . . . . 47 LEU HG . 11259 1 511 . 1 1 47 47 LEU C C 13 180.381 0.300 . 1 . . . . 47 LEU C . 11259 1 512 . 1 1 47 47 LEU CA C 13 57.615 0.300 . 1 . . . . 47 LEU CA . 11259 1 513 . 1 1 47 47 LEU CB C 13 42.141 0.300 . 1 . . . . 47 LEU CB . 11259 1 514 . 1 1 47 47 LEU CD1 C 13 25.914 0.300 . 2 . . . . 47 LEU CD1 . 11259 1 515 . 1 1 47 47 LEU CD2 C 13 23.119 0.300 . 2 . . . . 47 LEU CD2 . 11259 1 516 . 1 1 47 47 LEU CG C 13 27.052 0.300 . 1 . . . . 47 LEU CG . 11259 1 517 . 1 1 47 47 LEU N N 15 119.924 0.300 . 1 . . . . 47 LEU N . 11259 1 518 . 1 1 48 48 GLN H H 1 7.747 0.030 . 1 . . . . 48 GLN H . 11259 1 519 . 1 1 48 48 GLN HA H 1 4.200 0.030 . 1 . . . . 48 GLN HA . 11259 1 520 . 1 1 48 48 GLN HB2 H 1 2.139 0.030 . 2 . . . . 48 GLN HB2 . 11259 1 521 . 1 1 48 48 GLN HB3 H 1 2.253 0.030 . 2 . . . . 48 GLN HB3 . 11259 1 522 . 1 1 48 48 GLN HE21 H 1 6.816 0.030 . 2 . . . . 48 GLN HE21 . 11259 1 523 . 1 1 48 48 GLN HE22 H 1 7.409 0.030 . 2 . . . . 48 GLN HE22 . 11259 1 524 . 1 1 48 48 GLN HG2 H 1 2.440 0.030 . 2 . . . . 48 GLN HG2 . 11259 1 525 . 1 1 48 48 GLN HG3 H 1 2.552 0.030 . 2 . . . . 48 GLN HG3 . 11259 1 526 . 1 1 48 48 GLN C C 13 177.553 0.300 . 1 . . . . 48 GLN C . 11259 1 527 . 1 1 48 48 GLN CA C 13 57.298 0.300 . 1 . . . . 48 GLN CA . 11259 1 528 . 1 1 48 48 GLN CB C 13 28.614 0.300 . 1 . . . . 48 GLN CB . 11259 1 529 . 1 1 48 48 GLN CG C 13 34.064 0.300 . 1 . . . . 48 GLN CG . 11259 1 530 . 1 1 48 48 GLN N N 15 117.713 0.300 . 1 . . . . 48 GLN N . 11259 1 531 . 1 1 48 48 GLN NE2 N 15 112.046 0.300 . 1 . . . . 48 GLN NE2 . 11259 1 532 . 1 1 49 49 MET H H 1 7.641 0.030 . 1 . . . . 49 MET H . 11259 1 533 . 1 1 49 49 MET HA H 1 4.261 0.030 . 1 . . . . 49 MET HA . 11259 1 534 . 1 1 49 49 MET HB2 H 1 2.116 0.030 . 2 . . . . 49 MET HB2 . 11259 1 535 . 1 1 49 49 MET HB3 H 1 2.224 0.030 . 2 . . . . 49 MET HB3 . 11259 1 536 . 1 1 49 49 MET HE1 H 1 1.967 0.030 . 1 . . . . 49 MET HE . 11259 1 537 . 1 1 49 49 MET HE2 H 1 1.967 0.030 . 1 . . . . 49 MET HE . 11259 1 538 . 1 1 49 49 MET HE3 H 1 1.967 0.030 . 1 . . . . 49 MET HE . 11259 1 539 . 1 1 49 49 MET HG2 H 1 2.586 0.030 . 2 . . . . 49 MET HG2 . 11259 1 540 . 1 1 49 49 MET HG3 H 1 2.734 0.030 . 2 . . . . 49 MET HG3 . 11259 1 541 . 1 1 49 49 MET C C 13 176.772 0.300 . 1 . . . . 49 MET C . 11259 1 542 . 1 1 49 49 MET CA C 13 57.340 0.300 . 1 . . . . 49 MET CA . 11259 1 543 . 1 1 49 49 MET CB C 13 33.330 0.300 . 1 . . . . 49 MET CB . 11259 1 544 . 1 1 49 49 MET CE C 13 16.739 0.300 . 1 . . . . 49 MET CE . 11259 1 545 . 1 1 49 49 MET CG C 13 32.150 0.300 . 1 . . . . 49 MET CG . 11259 1 546 . 1 1 49 49 MET N N 15 118.384 0.300 . 1 . . . . 49 MET N . 11259 1 547 . 1 1 50 50 GLY H H 1 7.936 0.030 . 1 . . . . 50 GLY H . 11259 1 548 . 1 1 50 50 GLY HA2 H 1 3.961 0.030 . 2 . . . . 50 GLY HA2 . 11259 1 549 . 1 1 50 50 GLY HA3 H 1 4.047 0.030 . 2 . . . . 50 GLY HA3 . 11259 1 550 . 1 1 50 50 GLY C C 13 174.158 0.300 . 1 . . . . 50 GLY C . 11259 1 551 . 1 1 50 50 GLY CA C 13 45.319 0.300 . 1 . . . . 50 GLY CA . 11259 1 552 . 1 1 50 50 GLY N N 15 107.327 0.300 . 1 . . . . 50 GLY N . 11259 1 553 . 1 1 51 51 GLU H H 1 7.835 0.030 . 1 . . . . 51 GLU H . 11259 1 554 . 1 1 51 51 GLU HA H 1 4.355 0.030 . 1 . . . . 51 GLU HA . 11259 1 555 . 1 1 51 51 GLU HB2 H 1 2.035 0.030 . 2 . . . . 51 GLU HB2 . 11259 1 556 . 1 1 51 51 GLU HB3 H 1 1.793 0.030 . 2 . . . . 51 GLU HB3 . 11259 1 557 . 1 1 51 51 GLU HG2 H 1 2.191 0.030 . 2 . . . . 51 GLU HG2 . 11259 1 558 . 1 1 51 51 GLU HG3 H 1 2.286 0.030 . 2 . . . . 51 GLU HG3 . 11259 1 559 . 1 1 51 51 GLU C C 13 176.290 0.300 . 1 . . . . 51 GLU C . 11259 1 560 . 1 1 51 51 GLU CA C 13 56.007 0.300 . 1 . . . . 51 GLU CA . 11259 1 561 . 1 1 51 51 GLU CB C 13 30.460 0.300 . 1 . . . . 51 GLU CB . 11259 1 562 . 1 1 51 51 GLU CG C 13 35.956 0.300 . 1 . . . . 51 GLU CG . 11259 1 563 . 1 1 51 51 GLU N N 15 119.958 0.300 . 1 . . . . 51 GLU N . 11259 1 564 . 1 1 52 52 GLU H H 1 8.517 0.030 . 1 . . . . 52 GLU H . 11259 1 565 . 1 1 52 52 GLU HA H 1 4.678 0.030 . 1 . . . . 52 GLU HA . 11259 1 566 . 1 1 52 52 GLU HB2 H 1 2.043 0.030 . 2 . . . . 52 GLU HB2 . 11259 1 567 . 1 1 52 52 GLU HB3 H 1 1.936 0.030 . 2 . . . . 52 GLU HB3 . 11259 1 568 . 1 1 52 52 GLU HG2 H 1 2.300 0.030 . 1 . . . . 52 GLU HG2 . 11259 1 569 . 1 1 52 52 GLU HG3 H 1 2.300 0.030 . 1 . . . . 52 GLU HG3 . 11259 1 570 . 1 1 52 52 GLU C C 13 174.654 0.300 . 1 . . . . 52 GLU C . 11259 1 571 . 1 1 52 52 GLU CA C 13 54.086 0.300 . 1 . . . . 52 GLU CA . 11259 1 572 . 1 1 52 52 GLU CB C 13 30.317 0.300 . 1 . . . . 52 GLU CB . 11259 1 573 . 1 1 52 52 GLU CG C 13 35.956 0.300 . 1 . . . . 52 GLU CG . 11259 1 574 . 1 1 52 52 GLU N N 15 123.338 0.300 . 1 . . . . 52 GLU N . 11259 1 575 . 1 1 53 53 PRO HA H 1 4.415 0.030 . 1 . . . . 53 PRO HA . 11259 1 576 . 1 1 53 53 PRO HB2 H 1 1.914 0.030 . 2 . . . . 53 PRO HB2 . 11259 1 577 . 1 1 53 53 PRO HB3 H 1 2.079 0.030 . 2 . . . . 53 PRO HB3 . 11259 1 578 . 1 1 53 53 PRO HD2 H 1 3.741 0.030 . 2 . . . . 53 PRO HD2 . 11259 1 579 . 1 1 53 53 PRO HD3 H 1 3.835 0.030 . 2 . . . . 53 PRO HD3 . 11259 1 580 . 1 1 53 53 PRO HG2 H 1 1.983 0.030 . 2 . . . . 53 PRO HG2 . 11259 1 581 . 1 1 53 53 PRO HG3 H 1 2.031 0.030 . 2 . . . . 53 PRO HG3 . 11259 1 582 . 1 1 53 53 PRO C C 13 177.097 0.300 . 1 . . . . 53 PRO C . 11259 1 583 . 1 1 53 53 PRO CA C 13 63.017 0.300 . 1 . . . . 53 PRO CA . 11259 1 584 . 1 1 53 53 PRO CB C 13 32.194 0.300 . 1 . . . . 53 PRO CB . 11259 1 585 . 1 1 53 53 PRO CD C 13 50.676 0.300 . 1 . . . . 53 PRO CD . 11259 1 586 . 1 1 53 53 PRO CG C 13 27.321 0.300 . 1 . . . . 53 PRO CG . 11259 1 587 . 1 1 54 54 SER H H 1 8.561 0.030 . 1 . . . . 54 SER H . 11259 1 588 . 1 1 54 54 SER HA H 1 4.488 0.030 . 1 . . . . 54 SER HA . 11259 1 589 . 1 1 54 54 SER HB2 H 1 3.867 0.030 . 1 . . . . 54 SER HB2 . 11259 1 590 . 1 1 54 54 SER HB3 H 1 3.867 0.030 . 1 . . . . 54 SER HB3 . 11259 1 591 . 1 1 54 54 SER C C 13 174.750 0.300 . 1 . . . . 54 SER C . 11259 1 592 . 1 1 54 54 SER CA C 13 58.350 0.300 . 1 . . . . 54 SER CA . 11259 1 593 . 1 1 54 54 SER CB C 13 63.970 0.300 . 1 . . . . 54 SER CB . 11259 1 594 . 1 1 54 54 SER N N 15 116.315 0.300 . 1 . . . . 54 SER N . 11259 1 595 . 1 1 55 55 GLY H H 1 8.232 0.030 . 1 . . . . 55 GLY H . 11259 1 596 . 1 1 55 55 GLY HA2 H 1 4.078 0.030 . 2 . . . . 55 GLY HA2 . 11259 1 597 . 1 1 55 55 GLY HA3 H 1 4.193 0.030 . 2 . . . . 55 GLY HA3 . 11259 1 598 . 1 1 55 55 GLY C C 13 171.795 0.300 . 1 . . . . 55 GLY C . 11259 1 599 . 1 1 55 55 GLY CA C 13 44.645 0.300 . 1 . . . . 55 GLY CA . 11259 1 600 . 1 1 55 55 GLY N N 15 110.646 0.300 . 1 . . . . 55 GLY N . 11259 1 601 . 1 1 56 56 PRO HA H 1 4.484 0.030 . 1 . . . . 56 PRO HA . 11259 1 602 . 1 1 56 56 PRO HB2 H 1 2.306 0.030 . 2 . . . . 56 PRO HB2 . 11259 1 603 . 1 1 56 56 PRO HB3 H 1 1.969 0.030 . 2 . . . . 56 PRO HB3 . 11259 1 604 . 1 1 56 56 PRO HD2 H 1 3.627 0.030 . 1 . . . . 56 PRO HD2 . 11259 1 605 . 1 1 56 56 PRO HD3 H 1 3.627 0.030 . 1 . . . . 56 PRO HD3 . 11259 1 606 . 1 1 56 56 PRO CA C 13 63.152 0.300 . 1 . . . . 56 PRO CA . 11259 1 607 . 1 1 56 56 PRO CB C 13 32.264 0.300 . 1 . . . . 56 PRO CB . 11259 1 608 . 1 1 56 56 PRO CD C 13 49.818 0.300 . 1 . . . . 56 PRO CD . 11259 1 stop_ save_