data_11269 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11269 _Entry.Title ; Solution Structure of the N-terminal CUE Domain in the Human Mitogen-activated Protein Kinase Kinase Kinase 7 Interacting Protein 2 (MAP3K7IP2) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-09 _Entry.Accession_date 2010-08-09 _Entry.Last_release_date 2011-08-18 _Entry.Original_release_date 2011-08-18 _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 . . . 11269 2 T. Kigawa . . . 11269 3 M. Sato . . . 11269 4 S. Koshiba . . . 11269 5 M. Inoue . . . 11269 6 S. Yokoyama . . . 11269 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)' . 11269 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11269 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 284 11269 '15N chemical shifts' 74 11269 '1H chemical shifts' 445 11269 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 . . 2011-08-18 2010-08-09 original author . 11269 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DAE 'BMRB Entry Tracking System' 11269 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11269 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution Structure of the N-terminal CUE Domain in the Human Mitogen-activated Protein Kinase Kinase Kinase 7 Interacting Protein 2 (MAP3K7IP2) ; _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 . . . 11269 1 2 T. Kigawa . . . 11269 1 3 M. Sato . . . 11269 1 4 S. Koshiba . . . 11269 1 5 M. Inoue . . . 11269 1 6 S. Yokoyama . . . 11269 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11269 _Assembly.ID 1 _Assembly.Name 'KIAA0733 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 . . . 11269 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 2dae . . . . . . 11269 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11269 _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 ; GSSGSSGQIDFQVLHDLRQK FPEVPEVVVSRCMLQNNNNL DACCAVLSQESTRYLYGEGD LNFSDDSGISGPSSG ; _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 75 _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 2DAE . "Solution Structure Of The N-Terminal Cue Domain In The Human Mitogen-Activated Protein Kinase Kinase Kinase 7 Interacting Prote" . . . . . 100.00 75 100.00 100.00 7.85e-46 . . . . 11269 1 2 no DBJ BAA34453 . "KIAA0733 protein [Homo sapiens]" . . . . . 88.00 693 98.48 98.48 8.66e-37 . . . . 11269 1 3 no DBJ BAC41446 . "mKIAA0733 protein [Mus musculus]" . . . . . 82.67 685 98.39 100.00 1.39e-34 . . . . 11269 1 4 no DBJ BAE28166 . "unnamed protein product [Mus musculus]" . . . . . 88.00 595 96.97 98.48 3.87e-37 . . . . 11269 1 5 no DBJ BAG09824 . "mitogen-activated protein kinase kinase kinase 7-interacting protein 2 [synthetic construct]" . . . . . 88.00 693 98.48 98.48 8.66e-37 . . . . 11269 1 6 no DBJ BAG37521 . "unnamed protein product [Homo sapiens]" . . . . . 88.00 536 98.48 98.48 1.17e-37 . . . . 11269 1 7 no EMBL CAB55907 . "hypothetical protein [Homo sapiens]" . . . . . 88.00 536 98.48 98.48 1.17e-37 . . . . 11269 1 8 no EMBL CAG33668 . "MAP3K7IP2 [Homo sapiens]" . . . . . 88.00 536 98.48 98.48 1.18e-37 . . . . 11269 1 9 no GB AAF67176 . "TAK1-binding protein 2 [Homo sapiens]" . . . . . 88.00 693 98.48 98.48 8.66e-37 . . . . 11269 1 10 no GB AAH04813 . "Mitogen-activated protein kinase kinase kinase 7 interacting protein 2 [Mus musculus]" . . . . . 88.00 693 96.97 98.48 2.76e-36 . . . . 11269 1 11 no GB AAH35910 . "Mitogen-activated protein kinase kinase kinase 7 interacting protein 2 [Homo sapiens]" . . . . . 88.00 693 98.48 98.48 8.66e-37 . . . . 11269 1 12 no GB AAH85788 . "Mitogen-activated protein kinase kinase kinase 7 interacting protein 2 [Rattus norvegicus]" . . . . . 88.00 627 96.97 98.48 8.45e-37 . . . . 11269 1 13 no GB AAM10487 . "TAB2 [Mus musculus]" . . . . . 88.00 693 96.97 98.48 2.76e-36 . . . . 11269 1 14 no REF NP_001012062 . "TGF-beta-activated kinase 1 and MAP3K7-binding protein 2 [Rattus norvegicus]" . . . . . 88.00 627 96.97 98.48 8.45e-37 . . . . 11269 1 15 no REF NP_001179301 . "TGF-beta-activated kinase 1 and MAP3K7-binding protein 2 [Bos taurus]" . . . . . 88.00 693 98.48 98.48 7.36e-37 . . . . 11269 1 16 no REF NP_001244719 . "TGF-beta-activated kinase 1 and MAP3K7-binding protein 2 [Macaca mulatta]" . . . . . 88.00 693 98.48 98.48 8.66e-37 . . . . 11269 1 17 no REF NP_001278963 . "TGF-beta-activated kinase 1 and MAP3K7-binding protein 2 isoform a [Homo sapiens]" . . . . . 88.00 693 98.48 98.48 8.66e-37 . . . . 11269 1 18 no REF NP_001278964 . "TGF-beta-activated kinase 1 and MAP3K7-binding protein 2 isoform b [Homo sapiens]" . . . . . 50.67 661 97.37 100.00 6.84e-16 . . . . 11269 1 19 no SP Q5U303 . "RecName: Full=TGF-beta-activated kinase 1 and MAP3K7-binding protein 2; AltName: Full=Mitogen-activated protein kinase kinase k" . . . . . 88.00 693 96.97 98.48 2.30e-36 . . . . 11269 1 20 no SP Q99K90 . "RecName: Full=TGF-beta-activated kinase 1 and MAP3K7-binding protein 2; AltName: Full=Mitogen-activated protein kinase kinase k" . . . . . 88.00 693 96.97 98.48 2.76e-36 . . . . 11269 1 21 no SP Q9NYJ8 . "RecName: Full=TGF-beta-activated kinase 1 and MAP3K7-binding protein 2; AltName: Full=Mitogen-activated protein kinase kinase k" . . . . . 88.00 693 98.48 98.48 8.66e-37 . . . . 11269 1 22 no TPG DAA26041 . "TPA: mitogen-activated protein kinase kinase kinase 7 interacting protein 2 [Bos taurus]" . . . . . 88.00 693 98.48 98.48 7.36e-37 . . . . 11269 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CUE domain' . 11269 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 . 11269 1 2 . SER . 11269 1 3 . SER . 11269 1 4 . GLY . 11269 1 5 . SER . 11269 1 6 . SER . 11269 1 7 . GLY . 11269 1 8 . GLN . 11269 1 9 . ILE . 11269 1 10 . ASP . 11269 1 11 . PHE . 11269 1 12 . GLN . 11269 1 13 . VAL . 11269 1 14 . LEU . 11269 1 15 . HIS . 11269 1 16 . ASP . 11269 1 17 . LEU . 11269 1 18 . ARG . 11269 1 19 . GLN . 11269 1 20 . LYS . 11269 1 21 . PHE . 11269 1 22 . PRO . 11269 1 23 . GLU . 11269 1 24 . VAL . 11269 1 25 . PRO . 11269 1 26 . GLU . 11269 1 27 . VAL . 11269 1 28 . VAL . 11269 1 29 . VAL . 11269 1 30 . SER . 11269 1 31 . ARG . 11269 1 32 . CYS . 11269 1 33 . MET . 11269 1 34 . LEU . 11269 1 35 . GLN . 11269 1 36 . ASN . 11269 1 37 . ASN . 11269 1 38 . ASN . 11269 1 39 . ASN . 11269 1 40 . LEU . 11269 1 41 . ASP . 11269 1 42 . ALA . 11269 1 43 . CYS . 11269 1 44 . CYS . 11269 1 45 . ALA . 11269 1 46 . VAL . 11269 1 47 . LEU . 11269 1 48 . SER . 11269 1 49 . GLN . 11269 1 50 . GLU . 11269 1 51 . SER . 11269 1 52 . THR . 11269 1 53 . ARG . 11269 1 54 . TYR . 11269 1 55 . LEU . 11269 1 56 . TYR . 11269 1 57 . GLY . 11269 1 58 . GLU . 11269 1 59 . GLY . 11269 1 60 . ASP . 11269 1 61 . LEU . 11269 1 62 . ASN . 11269 1 63 . PHE . 11269 1 64 . SER . 11269 1 65 . ASP . 11269 1 66 . ASP . 11269 1 67 . SER . 11269 1 68 . GLY . 11269 1 69 . ILE . 11269 1 70 . SER . 11269 1 71 . GLY . 11269 1 72 . PRO . 11269 1 73 . SER . 11269 1 74 . SER . 11269 1 75 . GLY . 11269 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 11269 1 . SER 2 2 11269 1 . SER 3 3 11269 1 . GLY 4 4 11269 1 . SER 5 5 11269 1 . SER 6 6 11269 1 . GLY 7 7 11269 1 . GLN 8 8 11269 1 . ILE 9 9 11269 1 . ASP 10 10 11269 1 . PHE 11 11 11269 1 . GLN 12 12 11269 1 . VAL 13 13 11269 1 . LEU 14 14 11269 1 . HIS 15 15 11269 1 . ASP 16 16 11269 1 . LEU 17 17 11269 1 . ARG 18 18 11269 1 . GLN 19 19 11269 1 . LYS 20 20 11269 1 . PHE 21 21 11269 1 . PRO 22 22 11269 1 . GLU 23 23 11269 1 . VAL 24 24 11269 1 . PRO 25 25 11269 1 . GLU 26 26 11269 1 . VAL 27 27 11269 1 . VAL 28 28 11269 1 . VAL 29 29 11269 1 . SER 30 30 11269 1 . ARG 31 31 11269 1 . CYS 32 32 11269 1 . MET 33 33 11269 1 . LEU 34 34 11269 1 . GLN 35 35 11269 1 . ASN 36 36 11269 1 . ASN 37 37 11269 1 . ASN 38 38 11269 1 . ASN 39 39 11269 1 . LEU 40 40 11269 1 . ASP 41 41 11269 1 . ALA 42 42 11269 1 . CYS 43 43 11269 1 . CYS 44 44 11269 1 . ALA 45 45 11269 1 . VAL 46 46 11269 1 . LEU 47 47 11269 1 . SER 48 48 11269 1 . GLN 49 49 11269 1 . GLU 50 50 11269 1 . SER 51 51 11269 1 . THR 52 52 11269 1 . ARG 53 53 11269 1 . TYR 54 54 11269 1 . LEU 55 55 11269 1 . TYR 56 56 11269 1 . GLY 57 57 11269 1 . GLU 58 58 11269 1 . GLY 59 59 11269 1 . ASP 60 60 11269 1 . LEU 61 61 11269 1 . ASN 62 62 11269 1 . PHE 63 63 11269 1 . SER 64 64 11269 1 . ASP 65 65 11269 1 . ASP 66 66 11269 1 . SER 67 67 11269 1 . GLY 68 68 11269 1 . ILE 69 69 11269 1 . SER 70 70 11269 1 . GLY 71 71 11269 1 . PRO 72 72 11269 1 . SER 73 73 11269 1 . SER 74 74 11269 1 . GLY 75 75 11269 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 11269 _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 . . . . . . . . . . . . . . . . . . . . . 11269 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 11269 _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 . . P050725-14 . . . . . . 11269 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11269 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.30mM CUE domain U-15N, {13C;} 20mM d-Tris-HCl(pH {7.0);} 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 'CUE domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.30 . . mM . . . . 11269 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11269 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11269 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11269 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11269 1 6 H2O . . . . . . solvent 90 . . % . . . . 11269 1 7 D2O . . . . . . solvent 10 . . % . . . . 11269 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 11269 _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 11269 1 pH 7.0 0.05 pH 11269 1 pressure 1 0.001 atm 11269 1 temperature 296.0 0.1 K 11269 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11269 _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 . . 11269 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11269 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11269 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11269 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11269 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11269 _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.' . . 11269 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11269 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11269 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9321 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11269 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11269 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11269 _Software.ID 5 _Software.Name CYANA _Software.Version 1.0.8 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11269 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11269 5 'structure solution' 11269 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 11269 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 11269 _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 . 700 . . . 11269 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 11269 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11269 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11269 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 11269 _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 . . . . . . . . . 11269 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11269 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11269 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 11269 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11269 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11269 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 . . 11269 1 2 $NMRPipe . . 11269 1 3 $NMRView . . 11269 1 4 $Kujira . . 11269 1 5 $CYANA . . 11269 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 7 7 GLY HA2 H 1 3.941 0.030 . 1 . . . . 7 GLY HA2 . 11269 1 2 . 1 1 7 7 GLY HA3 H 1 3.941 0.030 . 1 . . . . 7 GLY HA3 . 11269 1 3 . 1 1 7 7 GLY C C 13 173.616 0.300 . 1 . . . . 7 GLY C . 11269 1 4 . 1 1 7 7 GLY CA C 13 45.416 0.300 . 1 . . . . 7 GLY CA . 11269 1 5 . 1 1 8 8 GLN H H 1 8.091 0.030 . 1 . . . . 8 GLN H . 11269 1 6 . 1 1 8 8 GLN HA H 1 4.396 0.030 . 1 . . . . 8 GLN HA . 11269 1 7 . 1 1 8 8 GLN HB2 H 1 1.935 0.030 . 2 . . . . 8 GLN HB2 . 11269 1 8 . 1 1 8 8 GLN HB3 H 1 2.064 0.030 . 2 . . . . 8 GLN HB3 . 11269 1 9 . 1 1 8 8 GLN HE21 H 1 7.558 0.030 . 2 . . . . 8 GLN HE21 . 11269 1 10 . 1 1 8 8 GLN HE22 H 1 6.878 0.030 . 2 . . . . 8 GLN HE22 . 11269 1 11 . 1 1 8 8 GLN HG2 H 1 2.313 0.030 . 1 . . . . 8 GLN HG2 . 11269 1 12 . 1 1 8 8 GLN HG3 H 1 2.313 0.030 . 1 . . . . 8 GLN HG3 . 11269 1 13 . 1 1 8 8 GLN C C 13 175.602 0.300 . 1 . . . . 8 GLN C . 11269 1 14 . 1 1 8 8 GLN CA C 13 55.338 0.300 . 1 . . . . 8 GLN CA . 11269 1 15 . 1 1 8 8 GLN CB C 13 29.956 0.300 . 1 . . . . 8 GLN CB . 11269 1 16 . 1 1 8 8 GLN CG C 13 33.821 0.300 . 1 . . . . 8 GLN CG . 11269 1 17 . 1 1 8 8 GLN N N 15 119.217 0.300 . 1 . . . . 8 GLN N . 11269 1 18 . 1 1 8 8 GLN NE2 N 15 112.680 0.300 . 1 . . . . 8 GLN NE2 . 11269 1 19 . 1 1 9 9 ILE H H 1 8.157 0.030 . 1 . . . . 9 ILE H . 11269 1 20 . 1 1 9 9 ILE HA H 1 4.089 0.030 . 1 . . . . 9 ILE HA . 11269 1 21 . 1 1 9 9 ILE HB H 1 1.619 0.030 . 1 . . . . 9 ILE HB . 11269 1 22 . 1 1 9 9 ILE HD11 H 1 0.804 0.030 . 1 . . . . 9 ILE HD1 . 11269 1 23 . 1 1 9 9 ILE HD12 H 1 0.804 0.030 . 1 . . . . 9 ILE HD1 . 11269 1 24 . 1 1 9 9 ILE HD13 H 1 0.804 0.030 . 1 . . . . 9 ILE HD1 . 11269 1 25 . 1 1 9 9 ILE HG12 H 1 1.114 0.030 . 2 . . . . 9 ILE HG12 . 11269 1 26 . 1 1 9 9 ILE HG13 H 1 1.363 0.030 . 2 . . . . 9 ILE HG13 . 11269 1 27 . 1 1 9 9 ILE HG21 H 1 0.503 0.030 . 1 . . . . 9 ILE HG2 . 11269 1 28 . 1 1 9 9 ILE HG22 H 1 0.503 0.030 . 1 . . . . 9 ILE HG2 . 11269 1 29 . 1 1 9 9 ILE HG23 H 1 0.503 0.030 . 1 . . . . 9 ILE HG2 . 11269 1 30 . 1 1 9 9 ILE C C 13 174.948 0.300 . 1 . . . . 9 ILE C . 11269 1 31 . 1 1 9 9 ILE CA C 13 60.264 0.300 . 1 . . . . 9 ILE CA . 11269 1 32 . 1 1 9 9 ILE CB C 13 39.248 0.300 . 1 . . . . 9 ILE CB . 11269 1 33 . 1 1 9 9 ILE CD1 C 13 12.930 0.300 . 1 . . . . 9 ILE CD1 . 11269 1 34 . 1 1 9 9 ILE CG1 C 13 27.371 0.300 . 1 . . . . 9 ILE CG1 . 11269 1 35 . 1 1 9 9 ILE CG2 C 13 17.473 0.300 . 1 . . . . 9 ILE CG2 . 11269 1 36 . 1 1 9 9 ILE N N 15 122.868 0.300 . 1 . . . . 9 ILE N . 11269 1 37 . 1 1 10 10 ASP H H 1 7.087 0.030 . 1 . . . . 10 ASP H . 11269 1 38 . 1 1 10 10 ASP HA H 1 4.618 0.030 . 1 . . . . 10 ASP HA . 11269 1 39 . 1 1 10 10 ASP HB2 H 1 2.423 0.030 . 2 . . . . 10 ASP HB2 . 11269 1 40 . 1 1 10 10 ASP HB3 H 1 2.659 0.030 . 2 . . . . 10 ASP HB3 . 11269 1 41 . 1 1 10 10 ASP C C 13 176.256 0.300 . 1 . . . . 10 ASP C . 11269 1 42 . 1 1 10 10 ASP CA C 13 53.121 0.300 . 1 . . . . 10 ASP CA . 11269 1 43 . 1 1 10 10 ASP CB C 13 41.448 0.300 . 1 . . . . 10 ASP CB . 11269 1 44 . 1 1 10 10 ASP N N 15 124.099 0.300 . 1 . . . . 10 ASP N . 11269 1 45 . 1 1 11 11 PHE H H 1 8.601 0.030 . 1 . . . . 11 PHE H . 11269 1 46 . 1 1 11 11 PHE HA H 1 4.113 0.030 . 1 . . . . 11 PHE HA . 11269 1 47 . 1 1 11 11 PHE HB2 H 1 3.057 0.030 . 2 . . . . 11 PHE HB2 . 11269 1 48 . 1 1 11 11 PHE HB3 H 1 3.147 0.030 . 2 . . . . 11 PHE HB3 . 11269 1 49 . 1 1 11 11 PHE HD1 H 1 7.293 0.030 . 1 . . . . 11 PHE HD1 . 11269 1 50 . 1 1 11 11 PHE HD2 H 1 7.293 0.030 . 1 . . . . 11 PHE HD2 . 11269 1 51 . 1 1 11 11 PHE HE1 H 1 7.370 0.030 . 1 . . . . 11 PHE HE1 . 11269 1 52 . 1 1 11 11 PHE HE2 H 1 7.370 0.030 . 1 . . . . 11 PHE HE2 . 11269 1 53 . 1 1 11 11 PHE C C 13 177.710 0.300 . 1 . . . . 11 PHE C . 11269 1 54 . 1 1 11 11 PHE CA C 13 61.706 0.300 . 1 . . . . 11 PHE CA . 11269 1 55 . 1 1 11 11 PHE CB C 13 38.767 0.300 . 1 . . . . 11 PHE CB . 11269 1 56 . 1 1 11 11 PHE CD1 C 13 131.552 0.300 . 1 . . . . 11 PHE CD1 . 11269 1 57 . 1 1 11 11 PHE CD2 C 13 131.552 0.300 . 1 . . . . 11 PHE CD2 . 11269 1 58 . 1 1 11 11 PHE CE1 C 13 131.568 0.300 . 1 . . . . 11 PHE CE1 . 11269 1 59 . 1 1 11 11 PHE CE2 C 13 131.568 0.300 . 1 . . . . 11 PHE CE2 . 11269 1 60 . 1 1 11 11 PHE N N 15 125.557 0.300 . 1 . . . . 11 PHE N . 11269 1 61 . 1 1 12 12 GLN H H 1 8.312 0.030 . 1 . . . . 12 GLN H . 11269 1 62 . 1 1 12 12 GLN HA H 1 4.100 0.030 . 1 . . . . 12 GLN HA . 11269 1 63 . 1 1 12 12 GLN HB2 H 1 2.227 0.030 . 1 . . . . 12 GLN HB2 . 11269 1 64 . 1 1 12 12 GLN HB3 H 1 2.227 0.030 . 1 . . . . 12 GLN HB3 . 11269 1 65 . 1 1 12 12 GLN HE21 H 1 6.824 0.030 . 2 . . . . 12 GLN HE21 . 11269 1 66 . 1 1 12 12 GLN HE22 H 1 7.791 0.030 . 2 . . . . 12 GLN HE22 . 11269 1 67 . 1 1 12 12 GLN HG2 H 1 2.399 0.030 . 1 . . . . 12 GLN HG2 . 11269 1 68 . 1 1 12 12 GLN HG3 H 1 2.399 0.030 . 1 . . . . 12 GLN HG3 . 11269 1 69 . 1 1 12 12 GLN C C 13 178.025 0.300 . 1 . . . . 12 GLN C . 11269 1 70 . 1 1 12 12 GLN CA C 13 58.892 0.300 . 1 . . . . 12 GLN CA . 11269 1 71 . 1 1 12 12 GLN CB C 13 28.229 0.300 . 1 . . . . 12 GLN CB . 11269 1 72 . 1 1 12 12 GLN CG C 13 34.150 0.300 . 1 . . . . 12 GLN CG . 11269 1 73 . 1 1 12 12 GLN N N 15 121.261 0.300 . 1 . . . . 12 GLN N . 11269 1 74 . 1 1 12 12 GLN NE2 N 15 114.428 0.300 . 1 . . . . 12 GLN NE2 . 11269 1 75 . 1 1 13 13 VAL H H 1 7.687 0.030 . 1 . . . . 13 VAL H . 11269 1 76 . 1 1 13 13 VAL HA H 1 3.725 0.030 . 1 . . . . 13 VAL HA . 11269 1 77 . 1 1 13 13 VAL HB H 1 2.004 0.030 . 1 . . . . 13 VAL HB . 11269 1 78 . 1 1 13 13 VAL HG11 H 1 0.924 0.030 . 1 . . . . 13 VAL HG1 . 11269 1 79 . 1 1 13 13 VAL HG12 H 1 0.924 0.030 . 1 . . . . 13 VAL HG1 . 11269 1 80 . 1 1 13 13 VAL HG13 H 1 0.924 0.030 . 1 . . . . 13 VAL HG1 . 11269 1 81 . 1 1 13 13 VAL HG21 H 1 1.139 0.030 . 1 . . . . 13 VAL HG2 . 11269 1 82 . 1 1 13 13 VAL HG22 H 1 1.139 0.030 . 1 . . . . 13 VAL HG2 . 11269 1 83 . 1 1 13 13 VAL HG23 H 1 1.139 0.030 . 1 . . . . 13 VAL HG2 . 11269 1 84 . 1 1 13 13 VAL C C 13 177.468 0.300 . 1 . . . . 13 VAL C . 11269 1 85 . 1 1 13 13 VAL CA C 13 66.668 0.300 . 1 . . . . 13 VAL CA . 11269 1 86 . 1 1 13 13 VAL CB C 13 32.094 0.300 . 1 . . . . 13 VAL CB . 11269 1 87 . 1 1 13 13 VAL CG1 C 13 20.909 0.300 . 2 . . . . 13 VAL CG1 . 11269 1 88 . 1 1 13 13 VAL CG2 C 13 22.903 0.300 . 2 . . . . 13 VAL CG2 . 11269 1 89 . 1 1 13 13 VAL N N 15 121.815 0.300 . 1 . . . . 13 VAL N . 11269 1 90 . 1 1 14 14 LEU H H 1 8.004 0.030 . 1 . . . . 14 LEU H . 11269 1 91 . 1 1 14 14 LEU HA H 1 4.135 0.030 . 1 . . . . 14 LEU HA . 11269 1 92 . 1 1 14 14 LEU HB2 H 1 1.260 0.030 . 2 . . . . 14 LEU HB2 . 11269 1 93 . 1 1 14 14 LEU HB3 H 1 1.869 0.030 . 2 . . . . 14 LEU HB3 . 11269 1 94 . 1 1 14 14 LEU HD11 H 1 0.898 0.030 . 1 . . . . 14 LEU HD1 . 11269 1 95 . 1 1 14 14 LEU HD12 H 1 0.898 0.030 . 1 . . . . 14 LEU HD1 . 11269 1 96 . 1 1 14 14 LEU HD13 H 1 0.898 0.030 . 1 . . . . 14 LEU HD1 . 11269 1 97 . 1 1 14 14 LEU HD21 H 1 0.900 0.030 . 1 . . . . 14 LEU HD2 . 11269 1 98 . 1 1 14 14 LEU HD22 H 1 0.900 0.030 . 1 . . . . 14 LEU HD2 . 11269 1 99 . 1 1 14 14 LEU HD23 H 1 0.900 0.030 . 1 . . . . 14 LEU HD2 . 11269 1 100 . 1 1 14 14 LEU HG H 1 1.494 0.030 . 1 . . . . 14 LEU HG . 11269 1 101 . 1 1 14 14 LEU C C 13 177.759 0.300 . 1 . . . . 14 LEU C . 11269 1 102 . 1 1 14 14 LEU CA C 13 58.821 0.300 . 1 . . . . 14 LEU CA . 11269 1 103 . 1 1 14 14 LEU CB C 13 41.797 0.300 . 1 . . . . 14 LEU CB . 11269 1 104 . 1 1 14 14 LEU CD1 C 13 23.573 0.300 . 2 . . . . 14 LEU CD1 . 11269 1 105 . 1 1 14 14 LEU CD2 C 13 26.255 0.300 . 2 . . . . 14 LEU CD2 . 11269 1 106 . 1 1 14 14 LEU CG C 13 27.078 0.300 . 1 . . . . 14 LEU CG . 11269 1 107 . 1 1 14 14 LEU N N 15 120.084 0.300 . 1 . . . . 14 LEU N . 11269 1 108 . 1 1 15 15 HIS H H 1 7.854 0.030 . 1 . . . . 15 HIS H . 11269 1 109 . 1 1 15 15 HIS HA H 1 4.125 0.030 . 1 . . . . 15 HIS HA . 11269 1 110 . 1 1 15 15 HIS HB2 H 1 3.208 0.030 . 2 . . . . 15 HIS HB2 . 11269 1 111 . 1 1 15 15 HIS HB3 H 1 3.333 0.030 . 2 . . . . 15 HIS HB3 . 11269 1 112 . 1 1 15 15 HIS HD2 H 1 7.141 0.030 . 1 . . . . 15 HIS HD2 . 11269 1 113 . 1 1 15 15 HIS HE1 H 1 7.983 0.030 . 1 . . . . 15 HIS HE1 . 11269 1 114 . 1 1 15 15 HIS C C 13 177.880 0.300 . 1 . . . . 15 HIS C . 11269 1 115 . 1 1 15 15 HIS CA C 13 59.806 0.300 . 1 . . . . 15 HIS CA . 11269 1 116 . 1 1 15 15 HIS CB C 13 29.462 0.300 . 1 . . . . 15 HIS CB . 11269 1 117 . 1 1 15 15 HIS CD2 C 13 120.761 0.300 . 1 . . . . 15 HIS CD2 . 11269 1 118 . 1 1 15 15 HIS CE1 C 13 137.801 0.300 . 1 . . . . 15 HIS CE1 . 11269 1 119 . 1 1 15 15 HIS N N 15 116.709 0.300 . 1 . . . . 15 HIS N . 11269 1 120 . 1 1 16 16 ASP H H 1 8.212 0.030 . 1 . . . . 16 ASP H . 11269 1 121 . 1 1 16 16 ASP HA H 1 4.324 0.030 . 1 . . . . 16 ASP HA . 11269 1 122 . 1 1 16 16 ASP HB2 H 1 2.625 0.030 . 2 . . . . 16 ASP HB2 . 11269 1 123 . 1 1 16 16 ASP HB3 H 1 2.830 0.030 . 2 . . . . 16 ASP HB3 . 11269 1 124 . 1 1 16 16 ASP C C 13 179.697 0.300 . 1 . . . . 16 ASP C . 11269 1 125 . 1 1 16 16 ASP CA C 13 57.555 0.300 . 1 . . . . 16 ASP CA . 11269 1 126 . 1 1 16 16 ASP CB C 13 40.564 0.300 . 1 . . . . 16 ASP CB . 11269 1 127 . 1 1 16 16 ASP N N 15 120.522 0.300 . 1 . . . . 16 ASP N . 11269 1 128 . 1 1 17 17 LEU H H 1 8.823 0.030 . 1 . . . . 17 LEU H . 11269 1 129 . 1 1 17 17 LEU HA H 1 4.128 0.030 . 1 . . . . 17 LEU HA . 11269 1 130 . 1 1 17 17 LEU HB2 H 1 1.254 0.030 . 2 . . . . 17 LEU HB2 . 11269 1 131 . 1 1 17 17 LEU HB3 H 1 2.063 0.030 . 2 . . . . 17 LEU HB3 . 11269 1 132 . 1 1 17 17 LEU HD11 H 1 0.853 0.030 . 1 . . . . 17 LEU HD1 . 11269 1 133 . 1 1 17 17 LEU HD12 H 1 0.853 0.030 . 1 . . . . 17 LEU HD1 . 11269 1 134 . 1 1 17 17 LEU HD13 H 1 0.853 0.030 . 1 . . . . 17 LEU HD1 . 11269 1 135 . 1 1 17 17 LEU HD21 H 1 0.995 0.030 . 1 . . . . 17 LEU HD2 . 11269 1 136 . 1 1 17 17 LEU HD22 H 1 0.995 0.030 . 1 . . . . 17 LEU HD2 . 11269 1 137 . 1 1 17 17 LEU HD23 H 1 0.995 0.030 . 1 . . . . 17 LEU HD2 . 11269 1 138 . 1 1 17 17 LEU HG H 1 1.900 0.030 . 1 . . . . 17 LEU HG . 11269 1 139 . 1 1 17 17 LEU C C 13 179.261 0.300 . 1 . . . . 17 LEU C . 11269 1 140 . 1 1 17 17 LEU CA C 13 58.012 0.300 . 1 . . . . 17 LEU CA . 11269 1 141 . 1 1 17 17 LEU CB C 13 43.113 0.300 . 1 . . . . 17 LEU CB . 11269 1 142 . 1 1 17 17 LEU CD1 C 13 27.371 0.300 . 2 . . . . 17 LEU CD1 . 11269 1 143 . 1 1 17 17 LEU CD2 C 13 25.137 0.300 . 2 . . . . 17 LEU CD2 . 11269 1 144 . 1 1 17 17 LEU CG C 13 26.701 0.300 . 1 . . . . 17 LEU CG . 11269 1 145 . 1 1 17 17 LEU N N 15 120.684 0.300 . 1 . . . . 17 LEU N . 11269 1 146 . 1 1 18 18 ARG H H 1 8.638 0.030 . 1 . . . . 18 ARG H . 11269 1 147 . 1 1 18 18 ARG HA H 1 3.964 0.030 . 1 . . . . 18 ARG HA . 11269 1 148 . 1 1 18 18 ARG HB2 H 1 1.783 0.030 . 2 . . . . 18 ARG HB2 . 11269 1 149 . 1 1 18 18 ARG HB3 H 1 1.925 0.030 . 2 . . . . 18 ARG HB3 . 11269 1 150 . 1 1 18 18 ARG HD2 H 1 3.086 0.030 . 2 . . . . 18 ARG HD2 . 11269 1 151 . 1 1 18 18 ARG HD3 H 1 3.226 0.030 . 2 . . . . 18 ARG HD3 . 11269 1 152 . 1 1 18 18 ARG HG2 H 1 1.588 0.030 . 2 . . . . 18 ARG HG2 . 11269 1 153 . 1 1 18 18 ARG HG3 H 1 2.030 0.030 . 2 . . . . 18 ARG HG3 . 11269 1 154 . 1 1 18 18 ARG C C 13 178.679 0.300 . 1 . . . . 18 ARG C . 11269 1 155 . 1 1 18 18 ARG CA C 13 59.138 0.300 . 1 . . . . 18 ARG CA . 11269 1 156 . 1 1 18 18 ARG CB C 13 28.935 0.300 . 1 . . . . 18 ARG CB . 11269 1 157 . 1 1 18 18 ARG CD C 13 43.135 0.300 . 1 . . . . 18 ARG CD . 11269 1 158 . 1 1 18 18 ARG CG C 13 27.818 0.300 . 1 . . . . 18 ARG CG . 11269 1 159 . 1 1 18 18 ARG N N 15 118.056 0.300 . 1 . . . . 18 ARG N . 11269 1 160 . 1 1 19 19 GLN H H 1 7.454 0.030 . 1 . . . . 19 GLN H . 11269 1 161 . 1 1 19 19 GLN HA H 1 3.953 0.030 . 1 . . . . 19 GLN HA . 11269 1 162 . 1 1 19 19 GLN HB2 H 1 2.029 0.030 . 1 . . . . 19 GLN HB2 . 11269 1 163 . 1 1 19 19 GLN HB3 H 1 2.029 0.030 . 1 . . . . 19 GLN HB3 . 11269 1 164 . 1 1 19 19 GLN HE21 H 1 7.200 0.030 . 2 . . . . 19 GLN HE21 . 11269 1 165 . 1 1 19 19 GLN HE22 H 1 6.824 0.030 . 2 . . . . 19 GLN HE22 . 11269 1 166 . 1 1 19 19 GLN HG2 H 1 2.292 0.030 . 2 . . . . 19 GLN HG2 . 11269 1 167 . 1 1 19 19 GLN HG3 H 1 2.209 0.030 . 2 . . . . 19 GLN HG3 . 11269 1 168 . 1 1 19 19 GLN C C 13 177.904 0.300 . 1 . . . . 19 GLN C . 11269 1 169 . 1 1 19 19 GLN CA C 13 57.625 0.300 . 1 . . . . 19 GLN CA . 11269 1 170 . 1 1 19 19 GLN CB C 13 28.804 0.300 . 1 . . . . 19 GLN CB . 11269 1 171 . 1 1 19 19 GLN CG C 13 33.821 0.300 . 1 . . . . 19 GLN CG . 11269 1 172 . 1 1 19 19 GLN N N 15 115.368 0.300 . 1 . . . . 19 GLN N . 11269 1 173 . 1 1 19 19 GLN NE2 N 15 112.515 0.300 . 1 . . . . 19 GLN NE2 . 11269 1 174 . 1 1 20 20 LYS H H 1 7.383 0.030 . 1 . . . . 20 LYS H . 11269 1 175 . 1 1 20 20 LYS HA H 1 3.816 0.030 . 1 . . . . 20 LYS HA . 11269 1 176 . 1 1 20 20 LYS HB2 H 1 1.214 0.030 . 2 . . . . 20 LYS HB2 . 11269 1 177 . 1 1 20 20 LYS HB3 H 1 1.584 0.030 . 2 . . . . 20 LYS HB3 . 11269 1 178 . 1 1 20 20 LYS HD2 H 1 1.442 0.030 . 2 . . . . 20 LYS HD2 . 11269 1 179 . 1 1 20 20 LYS HD3 H 1 1.552 0.030 . 2 . . . . 20 LYS HD3 . 11269 1 180 . 1 1 20 20 LYS HE2 H 1 2.904 0.030 . 2 . . . . 20 LYS HE2 . 11269 1 181 . 1 1 20 20 LYS HE3 H 1 2.874 0.030 . 2 . . . . 20 LYS HE3 . 11269 1 182 . 1 1 20 20 LYS HG2 H 1 0.897 0.030 . 2 . . . . 20 LYS HG2 . 11269 1 183 . 1 1 20 20 LYS HG3 H 1 1.303 0.030 . 2 . . . . 20 LYS HG3 . 11269 1 184 . 1 1 20 20 LYS C C 13 176.281 0.300 . 1 . . . . 20 LYS C . 11269 1 185 . 1 1 20 20 LYS CA C 13 58.293 0.300 . 1 . . . . 20 LYS CA . 11269 1 186 . 1 1 20 20 LYS CB C 13 34.410 0.300 . 1 . . . . 20 LYS CB . 11269 1 187 . 1 1 20 20 LYS CD C 13 29.539 0.300 . 1 . . . . 20 LYS CD . 11269 1 188 . 1 1 20 20 LYS CE C 13 41.962 0.300 . 1 . . . . 20 LYS CE . 11269 1 189 . 1 1 20 20 LYS CG C 13 25.407 0.300 . 1 . . . . 20 LYS CG . 11269 1 190 . 1 1 20 20 LYS N N 15 118.984 0.300 . 1 . . . . 20 LYS N . 11269 1 191 . 1 1 21 21 PHE H H 1 7.943 0.030 . 1 . . . . 21 PHE H . 11269 1 192 . 1 1 21 21 PHE HA H 1 5.039 0.030 . 1 . . . . 21 PHE HA . 11269 1 193 . 1 1 21 21 PHE HB2 H 1 2.814 0.030 . 2 . . . . 21 PHE HB2 . 11269 1 194 . 1 1 21 21 PHE HB3 H 1 3.019 0.030 . 2 . . . . 21 PHE HB3 . 11269 1 195 . 1 1 21 21 PHE HD1 H 1 7.333 0.030 . 1 . . . . 21 PHE HD1 . 11269 1 196 . 1 1 21 21 PHE HD2 H 1 7.333 0.030 . 1 . . . . 21 PHE HD2 . 11269 1 197 . 1 1 21 21 PHE HE1 H 1 7.262 0.030 . 1 . . . . 21 PHE HE1 . 11269 1 198 . 1 1 21 21 PHE HE2 H 1 7.262 0.030 . 1 . . . . 21 PHE HE2 . 11269 1 199 . 1 1 21 21 PHE C C 13 173.761 0.300 . 1 . . . . 21 PHE C . 11269 1 200 . 1 1 21 21 PHE CA C 13 55.183 0.300 . 1 . . . . 21 PHE CA . 11269 1 201 . 1 1 21 21 PHE CB C 13 38.261 0.300 . 1 . . . . 21 PHE CB . 11269 1 202 . 1 1 21 21 PHE CD1 C 13 133.185 0.300 . 1 . . . . 21 PHE CD1 . 11269 1 203 . 1 1 21 21 PHE CD2 C 13 133.185 0.300 . 1 . . . . 21 PHE CD2 . 11269 1 204 . 1 1 21 21 PHE CE1 C 13 130.714 0.300 . 1 . . . . 21 PHE CE1 . 11269 1 205 . 1 1 21 21 PHE CE2 C 13 130.714 0.300 . 1 . . . . 21 PHE CE2 . 11269 1 206 . 1 1 21 21 PHE N N 15 115.980 0.300 . 1 . . . . 21 PHE N . 11269 1 207 . 1 1 22 22 PRO HA H 1 4.527 0.030 . 1 . . . . 22 PRO HA . 11269 1 208 . 1 1 22 22 PRO HB2 H 1 1.977 0.030 . 2 . . . . 22 PRO HB2 . 11269 1 209 . 1 1 22 22 PRO HB3 H 1 2.300 0.030 . 2 . . . . 22 PRO HB3 . 11269 1 210 . 1 1 22 22 PRO HD2 H 1 3.234 0.030 . 2 . . . . 22 PRO HD2 . 11269 1 211 . 1 1 22 22 PRO HD3 H 1 3.570 0.030 . 2 . . . . 22 PRO HD3 . 11269 1 212 . 1 1 22 22 PRO HG2 H 1 1.979 0.030 . 2 . . . . 22 PRO HG2 . 11269 1 213 . 1 1 22 22 PRO HG3 H 1 1.925 0.030 . 2 . . . . 22 PRO HG3 . 11269 1 214 . 1 1 22 22 PRO C C 13 178.074 0.300 . 1 . . . . 22 PRO C . 11269 1 215 . 1 1 22 22 PRO CA C 13 65.119 0.300 . 1 . . . . 22 PRO CA . 11269 1 216 . 1 1 22 22 PRO CB C 13 32.094 0.300 . 1 . . . . 22 PRO CB . 11269 1 217 . 1 1 22 22 PRO CD C 13 50.267 0.300 . 1 . . . . 22 PRO CD . 11269 1 218 . 1 1 22 22 PRO CG C 13 27.371 0.300 . 1 . . . . 22 PRO CG . 11269 1 219 . 1 1 23 23 GLU H H 1 9.223 0.030 . 1 . . . . 23 GLU H . 11269 1 220 . 1 1 23 23 GLU HA H 1 4.332 0.030 . 1 . . . . 23 GLU HA . 11269 1 221 . 1 1 23 23 GLU HB2 H 1 1.975 0.030 . 2 . . . . 23 GLU HB2 . 11269 1 222 . 1 1 23 23 GLU HB3 H 1 2.202 0.030 . 2 . . . . 23 GLU HB3 . 11269 1 223 . 1 1 23 23 GLU HG2 H 1 2.239 0.030 . 2 . . . . 23 GLU HG2 . 11269 1 224 . 1 1 23 23 GLU HG3 H 1 2.335 0.030 . 2 . . . . 23 GLU HG3 . 11269 1 225 . 1 1 23 23 GLU C C 13 176.571 0.300 . 1 . . . . 23 GLU C . 11269 1 226 . 1 1 23 23 GLU CA C 13 56.534 0.300 . 1 . . . . 23 GLU CA . 11269 1 227 . 1 1 23 23 GLU CB C 13 29.159 0.300 . 1 . . . . 23 GLU CB . 11269 1 228 . 1 1 23 23 GLU CG C 13 36.288 0.300 . 1 . . . . 23 GLU CG . 11269 1 229 . 1 1 23 23 GLU N N 15 117.258 0.300 . 1 . . . . 23 GLU N . 11269 1 230 . 1 1 24 24 VAL H H 1 7.469 0.030 . 1 . . . . 24 VAL H . 11269 1 231 . 1 1 24 24 VAL HA H 1 4.086 0.030 . 1 . . . . 24 VAL HA . 11269 1 232 . 1 1 24 24 VAL HB H 1 1.975 0.030 . 1 . . . . 24 VAL HB . 11269 1 233 . 1 1 24 24 VAL HG11 H 1 0.909 0.030 . 1 . . . . 24 VAL HG1 . 11269 1 234 . 1 1 24 24 VAL HG12 H 1 0.909 0.030 . 1 . . . . 24 VAL HG1 . 11269 1 235 . 1 1 24 24 VAL HG13 H 1 0.909 0.030 . 1 . . . . 24 VAL HG1 . 11269 1 236 . 1 1 24 24 VAL HG21 H 1 0.950 0.030 . 1 . . . . 24 VAL HG2 . 11269 1 237 . 1 1 24 24 VAL HG22 H 1 0.950 0.030 . 1 . . . . 24 VAL HG2 . 11269 1 238 . 1 1 24 24 VAL HG23 H 1 0.950 0.030 . 1 . . . . 24 VAL HG2 . 11269 1 239 . 1 1 24 24 VAL C C 13 173.931 0.300 . 1 . . . . 24 VAL C . 11269 1 240 . 1 1 24 24 VAL CA C 13 60.123 0.300 . 1 . . . . 24 VAL CA . 11269 1 241 . 1 1 24 24 VAL CB C 13 32.258 0.300 . 1 . . . . 24 VAL CB . 11269 1 242 . 1 1 24 24 VAL CG1 C 13 21.785 0.300 . 2 . . . . 24 VAL CG1 . 11269 1 243 . 1 1 24 24 VAL CG2 C 13 22.913 0.300 . 2 . . . . 24 VAL CG2 . 11269 1 244 . 1 1 24 24 VAL N N 15 122.725 0.300 . 1 . . . . 24 VAL N . 11269 1 245 . 1 1 25 25 PRO HA H 1 4.336 0.030 . 1 . . . . 25 PRO HA . 11269 1 246 . 1 1 25 25 PRO HB2 H 1 1.731 0.030 . 2 . . . . 25 PRO HB2 . 11269 1 247 . 1 1 25 25 PRO HB3 H 1 2.535 0.030 . 2 . . . . 25 PRO HB3 . 11269 1 248 . 1 1 25 25 PRO HD2 H 1 3.199 0.030 . 2 . . . . 25 PRO HD2 . 11269 1 249 . 1 1 25 25 PRO HD3 H 1 3.852 0.030 . 2 . . . . 25 PRO HD3 . 11269 1 250 . 1 1 25 25 PRO HG2 H 1 2.031 0.030 . 1 . . . . 25 PRO HG2 . 11269 1 251 . 1 1 25 25 PRO HG3 H 1 2.031 0.030 . 1 . . . . 25 PRO HG3 . 11269 1 252 . 1 1 25 25 PRO C C 13 177.565 0.300 . 1 . . . . 25 PRO C . 11269 1 253 . 1 1 25 25 PRO CA C 13 63.325 0.300 . 1 . . . . 25 PRO CA . 11269 1 254 . 1 1 25 25 PRO CB C 13 32.957 0.300 . 1 . . . . 25 PRO CB . 11269 1 255 . 1 1 25 25 PRO CD C 13 51.254 0.300 . 1 . . . . 25 PRO CD . 11269 1 256 . 1 1 25 25 PRO CG C 13 27.818 0.300 . 1 . . . . 25 PRO CG . 11269 1 257 . 1 1 26 26 GLU H H 1 9.108 0.030 . 1 . . . . 26 GLU H . 11269 1 258 . 1 1 26 26 GLU HA H 1 3.645 0.030 . 1 . . . . 26 GLU HA . 11269 1 259 . 1 1 26 26 GLU HB2 H 1 2.096 0.030 . 2 . . . . 26 GLU HB2 . 11269 1 260 . 1 1 26 26 GLU HB3 H 1 2.052 0.030 . 2 . . . . 26 GLU HB3 . 11269 1 261 . 1 1 26 26 GLU HG2 H 1 2.177 0.030 . 1 . . . . 26 GLU HG2 . 11269 1 262 . 1 1 26 26 GLU HG3 H 1 2.177 0.030 . 1 . . . . 26 GLU HG3 . 11269 1 263 . 1 1 26 26 GLU C C 13 178.098 0.300 . 1 . . . . 26 GLU C . 11269 1 264 . 1 1 26 26 GLU CA C 13 61.143 0.300 . 1 . . . . 26 GLU CA . 11269 1 265 . 1 1 26 26 GLU CB C 13 29.606 0.300 . 1 . . . . 26 GLU CB . 11269 1 266 . 1 1 26 26 GLU CG C 13 36.781 0.300 . 1 . . . . 26 GLU CG . 11269 1 267 . 1 1 26 26 GLU N N 15 125.953 0.300 . 1 . . . . 26 GLU N . 11269 1 268 . 1 1 27 27 VAL H H 1 8.572 0.030 . 1 . . . . 27 VAL H . 11269 1 269 . 1 1 27 27 VAL HA H 1 4.016 0.030 . 1 . . . . 27 VAL HA . 11269 1 270 . 1 1 27 27 VAL HB H 1 2.111 0.030 . 1 . . . . 27 VAL HB . 11269 1 271 . 1 1 27 27 VAL HG11 H 1 1.005 0.030 . 1 . . . . 27 VAL HG1 . 11269 1 272 . 1 1 27 27 VAL HG12 H 1 1.005 0.030 . 1 . . . . 27 VAL HG1 . 11269 1 273 . 1 1 27 27 VAL HG13 H 1 1.005 0.030 . 1 . . . . 27 VAL HG1 . 11269 1 274 . 1 1 27 27 VAL HG21 H 1 0.970 0.030 . 1 . . . . 27 VAL HG2 . 11269 1 275 . 1 1 27 27 VAL HG22 H 1 0.970 0.030 . 1 . . . . 27 VAL HG2 . 11269 1 276 . 1 1 27 27 VAL HG23 H 1 0.970 0.030 . 1 . . . . 27 VAL HG2 . 11269 1 277 . 1 1 27 27 VAL C C 13 177.322 0.300 . 1 . . . . 27 VAL C . 11269 1 278 . 1 1 27 27 VAL CA C 13 65.014 0.300 . 1 . . . . 27 VAL CA . 11269 1 279 . 1 1 27 27 VAL CB C 13 31.393 0.300 . 1 . . . . 27 VAL CB . 11269 1 280 . 1 1 27 27 VAL CG1 C 13 21.338 0.300 . 2 . . . . 27 VAL CG1 . 11269 1 281 . 1 1 27 27 VAL CG2 C 13 20.892 0.300 . 2 . . . . 27 VAL CG2 . 11269 1 282 . 1 1 27 27 VAL N N 15 115.637 0.300 . 1 . . . . 27 VAL N . 11269 1 283 . 1 1 28 28 VAL H H 1 6.997 0.030 . 1 . . . . 28 VAL H . 11269 1 284 . 1 1 28 28 VAL HA H 1 3.581 0.030 . 1 . . . . 28 VAL HA . 11269 1 285 . 1 1 28 28 VAL HB H 1 2.099 0.030 . 1 . . . . 28 VAL HB . 11269 1 286 . 1 1 28 28 VAL HG11 H 1 0.741 0.030 . 1 . . . . 28 VAL HG1 . 11269 1 287 . 1 1 28 28 VAL HG12 H 1 0.741 0.030 . 1 . . . . 28 VAL HG1 . 11269 1 288 . 1 1 28 28 VAL HG13 H 1 0.741 0.030 . 1 . . . . 28 VAL HG1 . 11269 1 289 . 1 1 28 28 VAL HG21 H 1 0.945 0.030 . 1 . . . . 28 VAL HG2 . 11269 1 290 . 1 1 28 28 VAL HG22 H 1 0.945 0.030 . 1 . . . . 28 VAL HG2 . 11269 1 291 . 1 1 28 28 VAL HG23 H 1 0.945 0.030 . 1 . . . . 28 VAL HG2 . 11269 1 292 . 1 1 28 28 VAL C C 13 178.243 0.300 . 1 . . . . 28 VAL C . 11269 1 293 . 1 1 28 28 VAL CA C 13 65.727 0.300 . 1 . . . . 28 VAL CA . 11269 1 294 . 1 1 28 28 VAL CB C 13 31.436 0.300 . 1 . . . . 28 VAL CB . 11269 1 295 . 1 1 28 28 VAL CG1 C 13 20.992 0.300 . 2 . . . . 28 VAL CG1 . 11269 1 296 . 1 1 28 28 VAL CG2 C 13 22.679 0.300 . 2 . . . . 28 VAL CG2 . 11269 1 297 . 1 1 28 28 VAL N N 15 121.992 0.300 . 1 . . . . 28 VAL N . 11269 1 298 . 1 1 29 29 VAL H H 1 7.626 0.030 . 1 . . . . 29 VAL H . 11269 1 299 . 1 1 29 29 VAL HA H 1 3.280 0.030 . 1 . . . . 29 VAL HA . 11269 1 300 . 1 1 29 29 VAL HB H 1 2.065 0.030 . 1 . . . . 29 VAL HB . 11269 1 301 . 1 1 29 29 VAL HG11 H 1 0.877 0.030 . 1 . . . . 29 VAL HG1 . 11269 1 302 . 1 1 29 29 VAL HG12 H 1 0.877 0.030 . 1 . . . . 29 VAL HG1 . 11269 1 303 . 1 1 29 29 VAL HG13 H 1 0.877 0.030 . 1 . . . . 29 VAL HG1 . 11269 1 304 . 1 1 29 29 VAL HG21 H 1 0.900 0.030 . 1 . . . . 29 VAL HG2 . 11269 1 305 . 1 1 29 29 VAL HG22 H 1 0.900 0.030 . 1 . . . . 29 VAL HG2 . 11269 1 306 . 1 1 29 29 VAL HG23 H 1 0.900 0.030 . 1 . . . . 29 VAL HG2 . 11269 1 307 . 1 1 29 29 VAL C C 13 177.928 0.300 . 1 . . . . 29 VAL C . 11269 1 308 . 1 1 29 29 VAL CA C 13 67.582 0.300 . 1 . . . . 29 VAL CA . 11269 1 309 . 1 1 29 29 VAL CB C 13 31.617 0.300 . 1 . . . . 29 VAL CB . 11269 1 310 . 1 1 29 29 VAL CG1 C 13 24.031 0.300 . 2 . . . . 29 VAL CG1 . 11269 1 311 . 1 1 29 29 VAL CG2 C 13 22.683 0.300 . 2 . . . . 29 VAL CG2 . 11269 1 312 . 1 1 29 29 VAL N N 15 120.682 0.300 . 1 . . . . 29 VAL N . 11269 1 313 . 1 1 30 30 SER H H 1 8.722 0.030 . 1 . . . . 30 SER H . 11269 1 314 . 1 1 30 30 SER HA H 1 4.173 0.030 . 1 . . . . 30 SER HA . 11269 1 315 . 1 1 30 30 SER HB2 H 1 3.810 0.030 . 2 . . . . 30 SER HB2 . 11269 1 316 . 1 1 30 30 SER HB3 H 1 3.908 0.030 . 2 . . . . 30 SER HB3 . 11269 1 317 . 1 1 30 30 SER C C 13 176.256 0.300 . 1 . . . . 30 SER C . 11269 1 318 . 1 1 30 30 SER CA C 13 62.236 0.300 . 1 . . . . 30 SER CA . 11269 1 319 . 1 1 30 30 SER CB C 13 62.520 0.300 . 1 . . . . 30 SER CB . 11269 1 320 . 1 1 30 30 SER N N 15 114.640 0.300 . 1 . . . . 30 SER N . 11269 1 321 . 1 1 31 31 ARG H H 1 7.681 0.030 . 1 . . . . 31 ARG H . 11269 1 322 . 1 1 31 31 ARG HA H 1 3.998 0.030 . 1 . . . . 31 ARG HA . 11269 1 323 . 1 1 31 31 ARG HB2 H 1 1.882 0.030 . 2 . . . . 31 ARG HB2 . 11269 1 324 . 1 1 31 31 ARG HB3 H 1 1.923 0.030 . 2 . . . . 31 ARG HB3 . 11269 1 325 . 1 1 31 31 ARG HD2 H 1 3.136 0.030 . 1 . . . . 31 ARG HD2 . 11269 1 326 . 1 1 31 31 ARG HD3 H 1 3.136 0.030 . 1 . . . . 31 ARG HD3 . 11269 1 327 . 1 1 31 31 ARG HG2 H 1 1.587 0.030 . 2 . . . . 31 ARG HG2 . 11269 1 328 . 1 1 31 31 ARG HG3 H 1 1.800 0.030 . 2 . . . . 31 ARG HG3 . 11269 1 329 . 1 1 31 31 ARG C C 13 178.146 0.300 . 1 . . . . 31 ARG C . 11269 1 330 . 1 1 31 31 ARG CA C 13 59.736 0.300 . 1 . . . . 31 ARG CA . 11269 1 331 . 1 1 31 31 ARG CB C 13 29.956 0.300 . 1 . . . . 31 ARG CB . 11269 1 332 . 1 1 31 31 ARG CD C 13 43.682 0.300 . 1 . . . . 31 ARG CD . 11269 1 333 . 1 1 31 31 ARG CG C 13 27.371 0.300 . 1 . . . . 31 ARG CG . 11269 1 334 . 1 1 31 31 ARG N N 15 121.991 0.300 . 1 . . . . 31 ARG N . 11269 1 335 . 1 1 32 32 CYS H H 1 8.001 0.030 . 1 . . . . 32 CYS H . 11269 1 336 . 1 1 32 32 CYS HA H 1 4.010 0.030 . 1 . . . . 32 CYS HA . 11269 1 337 . 1 1 32 32 CYS HB2 H 1 2.975 0.030 . 2 . . . . 32 CYS HB2 . 11269 1 338 . 1 1 32 32 CYS HB3 H 1 3.039 0.030 . 2 . . . . 32 CYS HB3 . 11269 1 339 . 1 1 32 32 CYS C C 13 178.025 0.300 . 1 . . . . 32 CYS C . 11269 1 340 . 1 1 32 32 CYS CA C 13 62.551 0.300 . 1 . . . . 32 CYS CA . 11269 1 341 . 1 1 32 32 CYS CB C 13 26.584 0.300 . 1 . . . . 32 CYS CB . 11269 1 342 . 1 1 32 32 CYS N N 15 119.538 0.300 . 1 . . . . 32 CYS N . 11269 1 343 . 1 1 33 33 MET H H 1 8.509 0.030 . 1 . . . . 33 MET H . 11269 1 344 . 1 1 33 33 MET HA H 1 3.852 0.030 . 1 . . . . 33 MET HA . 11269 1 345 . 1 1 33 33 MET HB2 H 1 2.244 0.030 . 2 . . . . 33 MET HB2 . 11269 1 346 . 1 1 33 33 MET HB3 H 1 2.492 0.030 . 2 . . . . 33 MET HB3 . 11269 1 347 . 1 1 33 33 MET HE1 H 1 2.197 0.030 . 1 . . . . 33 MET HE . 11269 1 348 . 1 1 33 33 MET HE2 H 1 2.197 0.030 . 1 . . . . 33 MET HE . 11269 1 349 . 1 1 33 33 MET HE3 H 1 2.197 0.030 . 1 . . . . 33 MET HE . 11269 1 350 . 1 1 33 33 MET HG2 H 1 2.249 0.030 . 2 . . . . 33 MET HG2 . 11269 1 351 . 1 1 33 33 MET HG3 H 1 2.590 0.030 . 2 . . . . 33 MET HG3 . 11269 1 352 . 1 1 33 33 MET C C 13 178.800 0.300 . 1 . . . . 33 MET C . 11269 1 353 . 1 1 33 33 MET CA C 13 60.651 0.300 . 1 . . . . 33 MET CA . 11269 1 354 . 1 1 33 33 MET CB C 13 33.181 0.300 . 1 . . . . 33 MET CB . 11269 1 355 . 1 1 33 33 MET CE C 13 17.788 0.300 . 1 . . . . 33 MET CE . 11269 1 356 . 1 1 33 33 MET CG C 13 32.307 0.300 . 1 . . . . 33 MET CG . 11269 1 357 . 1 1 33 33 MET N N 15 120.277 0.300 . 1 . . . . 33 MET N . 11269 1 358 . 1 1 34 34 LEU H H 1 7.923 0.030 . 1 . . . . 34 LEU H . 11269 1 359 . 1 1 34 34 LEU HA H 1 4.124 0.030 . 1 . . . . 34 LEU HA . 11269 1 360 . 1 1 34 34 LEU HB2 H 1 1.612 0.030 . 2 . . . . 34 LEU HB2 . 11269 1 361 . 1 1 34 34 LEU HB3 H 1 1.840 0.030 . 2 . . . . 34 LEU HB3 . 11269 1 362 . 1 1 34 34 LEU HD11 H 1 0.851 0.030 . 1 . . . . 34 LEU HD1 . 11269 1 363 . 1 1 34 34 LEU HD12 H 1 0.851 0.030 . 1 . . . . 34 LEU HD1 . 11269 1 364 . 1 1 34 34 LEU HD13 H 1 0.851 0.030 . 1 . . . . 34 LEU HD1 . 11269 1 365 . 1 1 34 34 LEU HD21 H 1 0.764 0.030 . 1 . . . . 34 LEU HD2 . 11269 1 366 . 1 1 34 34 LEU HD22 H 1 0.764 0.030 . 1 . . . . 34 LEU HD2 . 11269 1 367 . 1 1 34 34 LEU HD23 H 1 0.764 0.030 . 1 . . . . 34 LEU HD2 . 11269 1 368 . 1 1 34 34 LEU HG H 1 1.733 0.030 . 1 . . . . 34 LEU HG . 11269 1 369 . 1 1 34 34 LEU C C 13 180.618 0.300 . 1 . . . . 34 LEU C . 11269 1 370 . 1 1 34 34 LEU CA C 13 57.801 0.300 . 1 . . . . 34 LEU CA . 11269 1 371 . 1 1 34 34 LEU CB C 13 41.633 0.300 . 1 . . . . 34 LEU CB . 11269 1 372 . 1 1 34 34 LEU CD1 C 13 25.137 0.300 . 2 . . . . 34 LEU CD1 . 11269 1 373 . 1 1 34 34 LEU CD2 C 13 23.377 0.300 . 2 . . . . 34 LEU CD2 . 11269 1 374 . 1 1 34 34 LEU CG C 13 26.831 0.300 . 1 . . . . 34 LEU CG . 11269 1 375 . 1 1 34 34 LEU N N 15 119.461 0.300 . 1 . . . . 34 LEU N . 11269 1 376 . 1 1 35 35 GLN H H 1 7.960 0.030 . 1 . . . . 35 GLN H . 11269 1 377 . 1 1 35 35 GLN HA H 1 4.151 0.030 . 1 . . . . 35 GLN HA . 11269 1 378 . 1 1 35 35 GLN HB2 H 1 2.131 0.030 . 1 . . . . 35 GLN HB2 . 11269 1 379 . 1 1 35 35 GLN HB3 H 1 2.131 0.030 . 1 . . . . 35 GLN HB3 . 11269 1 380 . 1 1 35 35 GLN HE21 H 1 7.455 0.030 . 2 . . . . 35 GLN HE21 . 11269 1 381 . 1 1 35 35 GLN HE22 H 1 6.817 0.030 . 2 . . . . 35 GLN HE22 . 11269 1 382 . 1 1 35 35 GLN HG2 H 1 2.407 0.030 . 2 . . . . 35 GLN HG2 . 11269 1 383 . 1 1 35 35 GLN HG3 H 1 2.554 0.030 . 2 . . . . 35 GLN HG3 . 11269 1 384 . 1 1 35 35 GLN C C 13 176.620 0.300 . 1 . . . . 35 GLN C . 11269 1 385 . 1 1 35 35 GLN CA C 13 57.625 0.300 . 1 . . . . 35 GLN CA . 11269 1 386 . 1 1 35 35 GLN CB C 13 29.133 0.300 . 1 . . . . 35 GLN CB . 11269 1 387 . 1 1 35 35 GLN CG C 13 33.985 0.300 . 1 . . . . 35 GLN CG . 11269 1 388 . 1 1 35 35 GLN N N 15 117.710 0.300 . 1 . . . . 35 GLN N . 11269 1 389 . 1 1 35 35 GLN NE2 N 15 111.309 0.300 . 1 . . . . 35 GLN NE2 . 11269 1 390 . 1 1 36 36 ASN H H 1 7.526 0.030 . 1 . . . . 36 ASN H . 11269 1 391 . 1 1 36 36 ASN HA H 1 4.951 0.030 . 1 . . . . 36 ASN HA . 11269 1 392 . 1 1 36 36 ASN HB2 H 1 2.661 0.030 . 2 . . . . 36 ASN HB2 . 11269 1 393 . 1 1 36 36 ASN HB3 H 1 2.881 0.030 . 2 . . . . 36 ASN HB3 . 11269 1 394 . 1 1 36 36 ASN HD21 H 1 7.097 0.030 . 2 . . . . 36 ASN HD21 . 11269 1 395 . 1 1 36 36 ASN HD22 H 1 7.747 0.030 . 2 . . . . 36 ASN HD22 . 11269 1 396 . 1 1 36 36 ASN C C 13 174.512 0.300 . 1 . . . . 36 ASN C . 11269 1 397 . 1 1 36 36 ASN CA C 13 53.297 0.300 . 1 . . . . 36 ASN CA . 11269 1 398 . 1 1 36 36 ASN CB C 13 40.107 0.300 . 1 . . . . 36 ASN CB . 11269 1 399 . 1 1 36 36 ASN N N 15 114.136 0.300 . 1 . . . . 36 ASN N . 11269 1 400 . 1 1 36 36 ASN ND2 N 15 117.329 0.300 . 1 . . . . 36 ASN ND2 . 11269 1 401 . 1 1 37 37 ASN H H 1 7.970 0.030 . 1 . . . . 37 ASN H . 11269 1 402 . 1 1 37 37 ASN HA H 1 4.490 0.030 . 1 . . . . 37 ASN HA . 11269 1 403 . 1 1 37 37 ASN HB2 H 1 2.662 0.030 . 2 . . . . 37 ASN HB2 . 11269 1 404 . 1 1 37 37 ASN HB3 H 1 3.080 0.030 . 2 . . . . 37 ASN HB3 . 11269 1 405 . 1 1 37 37 ASN HD21 H 1 7.618 0.030 . 2 . . . . 37 ASN HD21 . 11269 1 406 . 1 1 37 37 ASN HD22 H 1 6.881 0.030 . 2 . . . . 37 ASN HD22 . 11269 1 407 . 1 1 37 37 ASN C C 13 174.221 0.300 . 1 . . . . 37 ASN C . 11269 1 408 . 1 1 37 37 ASN CA C 13 54.775 0.300 . 1 . . . . 37 ASN CA . 11269 1 409 . 1 1 37 37 ASN CB C 13 37.521 0.300 . 1 . . . . 37 ASN CB . 11269 1 410 . 1 1 37 37 ASN N N 15 118.186 0.300 . 1 . . . . 37 ASN N . 11269 1 411 . 1 1 37 37 ASN ND2 N 15 112.552 0.300 . 1 . . . . 37 ASN ND2 . 11269 1 412 . 1 1 38 38 ASN H H 1 9.092 0.030 . 1 . . . . 38 ASN H . 11269 1 413 . 1 1 38 38 ASN HA H 1 3.787 0.030 . 1 . . . . 38 ASN HA . 11269 1 414 . 1 1 38 38 ASN HB2 H 1 2.867 0.030 . 2 . . . . 38 ASN HB2 . 11269 1 415 . 1 1 38 38 ASN HB3 H 1 3.144 0.030 . 2 . . . . 38 ASN HB3 . 11269 1 416 . 1 1 38 38 ASN HD21 H 1 7.442 0.030 . 2 . . . . 38 ASN HD21 . 11269 1 417 . 1 1 38 38 ASN HD22 H 1 6.898 0.030 . 2 . . . . 38 ASN HD22 . 11269 1 418 . 1 1 38 38 ASN C C 13 173.107 0.300 . 1 . . . . 38 ASN C . 11269 1 419 . 1 1 38 38 ASN CA C 13 55.303 0.300 . 1 . . . . 38 ASN CA . 11269 1 420 . 1 1 38 38 ASN CB C 13 38.096 0.300 . 1 . . . . 38 ASN CB . 11269 1 421 . 1 1 38 38 ASN N N 15 107.716 0.300 . 1 . . . . 38 ASN N . 11269 1 422 . 1 1 38 38 ASN ND2 N 15 113.138 0.300 . 1 . . . . 38 ASN ND2 . 11269 1 423 . 1 1 39 39 ASN H H 1 7.535 0.030 . 1 . . . . 39 ASN H . 11269 1 424 . 1 1 39 39 ASN HA H 1 4.679 0.030 . 1 . . . . 39 ASN HA . 11269 1 425 . 1 1 39 39 ASN HB2 H 1 2.858 0.030 . 2 . . . . 39 ASN HB2 . 11269 1 426 . 1 1 39 39 ASN HB3 H 1 3.065 0.030 . 2 . . . . 39 ASN HB3 . 11269 1 427 . 1 1 39 39 ASN HD21 H 1 7.764 0.030 . 2 . . . . 39 ASN HD21 . 11269 1 428 . 1 1 39 39 ASN HD22 H 1 7.262 0.030 . 2 . . . . 39 ASN HD22 . 11269 1 429 . 1 1 39 39 ASN C C 13 175.118 0.300 . 1 . . . . 39 ASN C . 11269 1 430 . 1 1 39 39 ASN CA C 13 54.032 0.300 . 1 . . . . 39 ASN CA . 11269 1 431 . 1 1 39 39 ASN CB C 13 39.660 0.300 . 1 . . . . 39 ASN CB . 11269 1 432 . 1 1 39 39 ASN N N 15 116.601 0.300 . 1 . . . . 39 ASN N . 11269 1 433 . 1 1 39 39 ASN ND2 N 15 113.597 0.300 . 1 . . . . 39 ASN ND2 . 11269 1 434 . 1 1 40 40 LEU H H 1 9.073 0.030 . 1 . . . . 40 LEU H . 11269 1 435 . 1 1 40 40 LEU HA H 1 3.810 0.030 . 1 . . . . 40 LEU HA . 11269 1 436 . 1 1 40 40 LEU HB2 H 1 1.866 0.030 . 2 . . . . 40 LEU HB2 . 11269 1 437 . 1 1 40 40 LEU HB3 H 1 1.755 0.030 . 2 . . . . 40 LEU HB3 . 11269 1 438 . 1 1 40 40 LEU HD11 H 1 0.983 0.030 . 1 . . . . 40 LEU HD1 . 11269 1 439 . 1 1 40 40 LEU HD12 H 1 0.983 0.030 . 1 . . . . 40 LEU HD1 . 11269 1 440 . 1 1 40 40 LEU HD13 H 1 0.983 0.030 . 1 . . . . 40 LEU HD1 . 11269 1 441 . 1 1 40 40 LEU HD21 H 1 0.969 0.030 . 1 . . . . 40 LEU HD2 . 11269 1 442 . 1 1 40 40 LEU HD22 H 1 0.969 0.030 . 1 . . . . 40 LEU HD2 . 11269 1 443 . 1 1 40 40 LEU HD23 H 1 0.969 0.030 . 1 . . . . 40 LEU HD2 . 11269 1 444 . 1 1 40 40 LEU HG H 1 1.662 0.030 . 1 . . . . 40 LEU HG . 11269 1 445 . 1 1 40 40 LEU C C 13 178.267 0.300 . 1 . . . . 40 LEU C . 11269 1 446 . 1 1 40 40 LEU CA C 13 59.842 0.300 . 1 . . . . 40 LEU CA . 11269 1 447 . 1 1 40 40 LEU CB C 13 42.291 0.300 . 1 . . . . 40 LEU CB . 11269 1 448 . 1 1 40 40 LEU CD1 C 13 24.914 0.300 . 2 . . . . 40 LEU CD1 . 11269 1 449 . 1 1 40 40 LEU CD2 C 13 25.807 0.300 . 2 . . . . 40 LEU CD2 . 11269 1 450 . 1 1 40 40 LEU CG C 13 27.595 0.300 . 1 . . . . 40 LEU CG . 11269 1 451 . 1 1 40 40 LEU N N 15 131.352 0.300 . 1 . . . . 40 LEU N . 11269 1 452 . 1 1 41 41 ASP H H 1 8.391 0.030 . 1 . . . . 41 ASP H . 11269 1 453 . 1 1 41 41 ASP HA H 1 4.324 0.030 . 1 . . . . 41 ASP HA . 11269 1 454 . 1 1 41 41 ASP HB2 H 1 2.662 0.030 . 2 . . . . 41 ASP HB2 . 11269 1 455 . 1 1 41 41 ASP HB3 H 1 2.746 0.030 . 2 . . . . 41 ASP HB3 . 11269 1 456 . 1 1 41 41 ASP C C 13 179.430 0.300 . 1 . . . . 41 ASP C . 11269 1 457 . 1 1 41 41 ASP CA C 13 58.188 0.300 . 1 . . . . 41 ASP CA . 11269 1 458 . 1 1 41 41 ASP CB C 13 40.107 0.300 . 1 . . . . 41 ASP CB . 11269 1 459 . 1 1 41 41 ASP N N 15 119.625 0.300 . 1 . . . . 41 ASP N . 11269 1 460 . 1 1 42 42 ALA H H 1 8.474 0.030 . 1 . . . . 42 ALA H . 11269 1 461 . 1 1 42 42 ALA HA H 1 4.159 0.030 . 1 . . . . 42 ALA HA . 11269 1 462 . 1 1 42 42 ALA HB1 H 1 1.502 0.030 . 1 . . . . 42 ALA HB . 11269 1 463 . 1 1 42 42 ALA HB2 H 1 1.502 0.030 . 1 . . . . 42 ALA HB . 11269 1 464 . 1 1 42 42 ALA HB3 H 1 1.502 0.030 . 1 . . . . 42 ALA HB . 11269 1 465 . 1 1 42 42 ALA C C 13 180.908 0.300 . 1 . . . . 42 ALA C . 11269 1 466 . 1 1 42 42 ALA CA C 13 54.951 0.300 . 1 . . . . 42 ALA CA . 11269 1 467 . 1 1 42 42 ALA CB C 13 18.525 0.300 . 1 . . . . 42 ALA CB . 11269 1 468 . 1 1 42 42 ALA N N 15 123.688 0.300 . 1 . . . . 42 ALA N . 11269 1 469 . 1 1 43 43 CYS H H 1 8.310 0.030 . 1 . . . . 43 CYS H . 11269 1 470 . 1 1 43 43 CYS HA H 1 3.927 0.030 . 1 . . . . 43 CYS HA . 11269 1 471 . 1 1 43 43 CYS HB2 H 1 2.540 0.030 . 2 . . . . 43 CYS HB2 . 11269 1 472 . 1 1 43 43 CYS HB3 H 1 3.196 0.030 . 2 . . . . 43 CYS HB3 . 11269 1 473 . 1 1 43 43 CYS C C 13 176.886 0.300 . 1 . . . . 43 CYS C . 11269 1 474 . 1 1 43 43 CYS CA C 13 63.677 0.300 . 1 . . . . 43 CYS CA . 11269 1 475 . 1 1 43 43 CYS CB C 13 28.476 0.300 . 1 . . . . 43 CYS CB . 11269 1 476 . 1 1 43 43 CYS N N 15 114.587 0.300 . 1 . . . . 43 CYS N . 11269 1 477 . 1 1 44 44 CYS H H 1 8.690 0.030 . 1 . . . . 44 CYS H . 11269 1 478 . 1 1 44 44 CYS HA H 1 4.162 0.030 . 1 . . . . 44 CYS HA . 11269 1 479 . 1 1 44 44 CYS HB2 H 1 3.137 0.030 . 2 . . . . 44 CYS HB2 . 11269 1 480 . 1 1 44 44 CYS HB3 H 1 3.255 0.030 . 2 . . . . 44 CYS HB3 . 11269 1 481 . 1 1 44 44 CYS C C 13 176.596 0.300 . 1 . . . . 44 CYS C . 11269 1 482 . 1 1 44 44 CYS CA C 13 64.187 0.300 . 1 . . . . 44 CYS CA . 11269 1 483 . 1 1 44 44 CYS CB C 13 26.693 0.300 . 1 . . . . 44 CYS CB . 11269 1 484 . 1 1 44 44 CYS N N 15 118.085 0.300 . 1 . . . . 44 CYS N . 11269 1 485 . 1 1 45 45 ALA H H 1 7.634 0.030 . 1 . . . . 45 ALA H . 11269 1 486 . 1 1 45 45 ALA HA H 1 4.135 0.030 . 1 . . . . 45 ALA HA . 11269 1 487 . 1 1 45 45 ALA HB1 H 1 1.500 0.030 . 1 . . . . 45 ALA HB . 11269 1 488 . 1 1 45 45 ALA HB2 H 1 1.500 0.030 . 1 . . . . 45 ALA HB . 11269 1 489 . 1 1 45 45 ALA HB3 H 1 1.500 0.030 . 1 . . . . 45 ALA HB . 11269 1 490 . 1 1 45 45 ALA C C 13 179.915 0.300 . 1 . . . . 45 ALA C . 11269 1 491 . 1 1 45 45 ALA CA C 13 55.267 0.300 . 1 . . . . 45 ALA CA . 11269 1 492 . 1 1 45 45 ALA CB C 13 18.032 0.300 . 1 . . . . 45 ALA CB . 11269 1 493 . 1 1 45 45 ALA N N 15 122.055 0.300 . 1 . . . . 45 ALA N . 11269 1 494 . 1 1 46 46 VAL H H 1 7.335 0.030 . 1 . . . . 46 VAL H . 11269 1 495 . 1 1 46 46 VAL HA H 1 3.779 0.030 . 1 . . . . 46 VAL HA . 11269 1 496 . 1 1 46 46 VAL HB H 1 1.951 0.030 . 1 . . . . 46 VAL HB . 11269 1 497 . 1 1 46 46 VAL HG11 H 1 0.905 0.030 . 1 . . . . 46 VAL HG1 . 11269 1 498 . 1 1 46 46 VAL HG12 H 1 0.905 0.030 . 1 . . . . 46 VAL HG1 . 11269 1 499 . 1 1 46 46 VAL HG13 H 1 0.905 0.030 . 1 . . . . 46 VAL HG1 . 11269 1 500 . 1 1 46 46 VAL HG21 H 1 1.031 0.030 . 1 . . . . 46 VAL HG2 . 11269 1 501 . 1 1 46 46 VAL HG22 H 1 1.031 0.030 . 1 . . . . 46 VAL HG2 . 11269 1 502 . 1 1 46 46 VAL HG23 H 1 1.031 0.030 . 1 . . . . 46 VAL HG2 . 11269 1 503 . 1 1 46 46 VAL C C 13 179.091 0.300 . 1 . . . . 46 VAL C . 11269 1 504 . 1 1 46 46 VAL CA C 13 65.612 0.300 . 1 . . . . 46 VAL CA . 11269 1 505 . 1 1 46 46 VAL CB C 13 32.587 0.300 . 1 . . . . 46 VAL CB . 11269 1 506 . 1 1 46 46 VAL CG1 C 13 21.979 0.300 . 2 . . . . 46 VAL CG1 . 11269 1 507 . 1 1 46 46 VAL CG2 C 13 21.979 0.300 . 2 . . . . 46 VAL CG2 . 11269 1 508 . 1 1 46 46 VAL N N 15 117.008 0.300 . 1 . . . . 46 VAL N . 11269 1 509 . 1 1 47 47 LEU H H 1 8.385 0.030 . 1 . . . . 47 LEU H . 11269 1 510 . 1 1 47 47 LEU HA H 1 3.740 0.030 . 1 . . . . 47 LEU HA . 11269 1 511 . 1 1 47 47 LEU HB2 H 1 0.138 0.030 . 2 . . . . 47 LEU HB2 . 11269 1 512 . 1 1 47 47 LEU HB3 H 1 0.787 0.030 . 2 . . . . 47 LEU HB3 . 11269 1 513 . 1 1 47 47 LEU HD11 H 1 0.582 0.030 . 1 . . . . 47 LEU HD1 . 11269 1 514 . 1 1 47 47 LEU HD12 H 1 0.582 0.030 . 1 . . . . 47 LEU HD1 . 11269 1 515 . 1 1 47 47 LEU HD13 H 1 0.582 0.030 . 1 . . . . 47 LEU HD1 . 11269 1 516 . 1 1 47 47 LEU HD21 H 1 0.586 0.030 . 1 . . . . 47 LEU HD2 . 11269 1 517 . 1 1 47 47 LEU HD22 H 1 0.586 0.030 . 1 . . . . 47 LEU HD2 . 11269 1 518 . 1 1 47 47 LEU HD23 H 1 0.586 0.030 . 1 . . . . 47 LEU HD2 . 11269 1 519 . 1 1 47 47 LEU HG H 1 1.840 0.030 . 1 . . . . 47 LEU HG . 11269 1 520 . 1 1 47 47 LEU C C 13 178.122 0.300 . 1 . . . . 47 LEU C . 11269 1 521 . 1 1 47 47 LEU CA C 13 57.308 0.300 . 1 . . . . 47 LEU CA . 11269 1 522 . 1 1 47 47 LEU CB C 13 39.437 0.300 . 1 . . . . 47 LEU CB . 11269 1 523 . 1 1 47 47 LEU CD1 C 13 27.585 0.300 . 2 . . . . 47 LEU CD1 . 11269 1 524 . 1 1 47 47 LEU CD2 C 13 23.350 0.300 . 2 . . . . 47 LEU CD2 . 11269 1 525 . 1 1 47 47 LEU CG C 13 26.731 0.300 . 1 . . . . 47 LEU CG . 11269 1 526 . 1 1 47 47 LEU N N 15 119.136 0.300 . 1 . . . . 47 LEU N . 11269 1 527 . 1 1 48 48 SER H H 1 7.847 0.030 . 1 . . . . 48 SER H . 11269 1 528 . 1 1 48 48 SER HA H 1 4.123 0.030 . 1 . . . . 48 SER HA . 11269 1 529 . 1 1 48 48 SER HB2 H 1 4.343 0.030 . 1 . . . . 48 SER HB2 . 11269 1 530 . 1 1 48 48 SER HB3 H 1 4.343 0.030 . 1 . . . . 48 SER HB3 . 11269 1 531 . 1 1 48 48 SER C C 13 175.384 0.300 . 1 . . . . 48 SER C . 11269 1 532 . 1 1 48 48 SER CA C 13 63.479 0.300 . 1 . . . . 48 SER CA . 11269 1 533 . 1 1 48 48 SER CB C 13 60.992 0.300 . 1 . . . . 48 SER CB . 11269 1 534 . 1 1 48 48 SER N N 15 113.098 0.300 . 1 . . . . 48 SER N . 11269 1 535 . 1 1 49 49 GLN H H 1 7.231 0.030 . 1 . . . . 49 GLN H . 11269 1 536 . 1 1 49 49 GLN HA H 1 4.368 0.030 . 1 . . . . 49 GLN HA . 11269 1 537 . 1 1 49 49 GLN HB2 H 1 2.237 0.030 . 2 . . . . 49 GLN HB2 . 11269 1 538 . 1 1 49 49 GLN HB3 H 1 2.189 0.030 . 2 . . . . 49 GLN HB3 . 11269 1 539 . 1 1 49 49 GLN HE21 H 1 7.482 0.030 . 2 . . . . 49 GLN HE21 . 11269 1 540 . 1 1 49 49 GLN HE22 H 1 6.881 0.030 . 2 . . . . 49 GLN HE22 . 11269 1 541 . 1 1 49 49 GLN HG2 H 1 2.409 0.030 . 2 . . . . 49 GLN HG2 . 11269 1 542 . 1 1 49 49 GLN HG3 H 1 2.541 0.030 . 2 . . . . 49 GLN HG3 . 11269 1 543 . 1 1 49 49 GLN C C 13 177.177 0.300 . 1 . . . . 49 GLN C . 11269 1 544 . 1 1 49 49 GLN CA C 13 56.569 0.300 . 1 . . . . 49 GLN CA . 11269 1 545 . 1 1 49 49 GLN CB C 13 29.216 0.300 . 1 . . . . 49 GLN CB . 11269 1 546 . 1 1 49 49 GLN CG C 13 34.074 0.300 . 1 . . . . 49 GLN CG . 11269 1 547 . 1 1 49 49 GLN N N 15 119.819 0.300 . 1 . . . . 49 GLN N . 11269 1 548 . 1 1 49 49 GLN NE2 N 15 112.251 0.300 . 1 . . . . 49 GLN NE2 . 11269 1 549 . 1 1 50 50 GLU H H 1 8.255 0.030 . 1 . . . . 50 GLU H . 11269 1 550 . 1 1 50 50 GLU HA H 1 4.171 0.030 . 1 . . . . 50 GLU HA . 11269 1 551 . 1 1 50 50 GLU HB2 H 1 1.998 0.030 . 2 . . . . 50 GLU HB2 . 11269 1 552 . 1 1 50 50 GLU HB3 H 1 2.137 0.030 . 2 . . . . 50 GLU HB3 . 11269 1 553 . 1 1 50 50 GLU HG2 H 1 2.290 0.030 . 1 . . . . 50 GLU HG2 . 11269 1 554 . 1 1 50 50 GLU HG3 H 1 2.290 0.030 . 1 . . . . 50 GLU HG3 . 11269 1 555 . 1 1 50 50 GLU C C 13 177.831 0.300 . 1 . . . . 50 GLU C . 11269 1 556 . 1 1 50 50 GLU CA C 13 58.188 0.300 . 1 . . . . 50 GLU CA . 11269 1 557 . 1 1 50 50 GLU CB C 13 30.120 0.300 . 1 . . . . 50 GLU CB . 11269 1 558 . 1 1 50 50 GLU CG C 13 36.123 0.300 . 1 . . . . 50 GLU CG . 11269 1 559 . 1 1 50 50 GLU N N 15 120.860 0.300 . 1 . . . . 50 GLU N . 11269 1 560 . 1 1 51 51 SER H H 1 8.323 0.030 . 1 . . . . 51 SER H . 11269 1 561 . 1 1 51 51 SER HA H 1 4.244 0.030 . 1 . . . . 51 SER HA . 11269 1 562 . 1 1 51 51 SER HB2 H 1 3.969 0.030 . 2 . . . . 51 SER HB2 . 11269 1 563 . 1 1 51 51 SER HB3 H 1 4.047 0.030 . 2 . . . . 51 SER HB3 . 11269 1 564 . 1 1 51 51 SER C C 13 175.845 0.300 . 1 . . . . 51 SER C . 11269 1 565 . 1 1 51 51 SER CA C 13 60.510 0.300 . 1 . . . . 51 SER CA . 11269 1 566 . 1 1 51 51 SER CB C 13 63.014 0.300 . 1 . . . . 51 SER CB . 11269 1 567 . 1 1 51 51 SER N N 15 113.524 0.300 . 1 . . . . 51 SER N . 11269 1 568 . 1 1 52 52 THR H H 1 7.717 0.030 . 1 . . . . 52 THR H . 11269 1 569 . 1 1 52 52 THR HA H 1 4.167 0.030 . 1 . . . . 52 THR HA . 11269 1 570 . 1 1 52 52 THR HB H 1 4.308 0.030 . 1 . . . . 52 THR HB . 11269 1 571 . 1 1 52 52 THR HG21 H 1 1.240 0.030 . 1 . . . . 52 THR HG2 . 11269 1 572 . 1 1 52 52 THR HG22 H 1 1.240 0.030 . 1 . . . . 52 THR HG2 . 11269 1 573 . 1 1 52 52 THR HG23 H 1 1.240 0.030 . 1 . . . . 52 THR HG2 . 11269 1 574 . 1 1 52 52 THR C C 13 175.312 0.300 . 1 . . . . 52 THR C . 11269 1 575 . 1 1 52 52 THR CA C 13 63.677 0.300 . 1 . . . . 52 THR CA . 11269 1 576 . 1 1 52 52 THR CB C 13 68.852 0.300 . 1 . . . . 52 THR CB . 11269 1 577 . 1 1 52 52 THR CG2 C 13 22.226 0.300 . 1 . . . . 52 THR CG2 . 11269 1 578 . 1 1 52 52 THR N N 15 113.917 0.300 . 1 . . . . 52 THR N . 11269 1 579 . 1 1 53 53 ARG H H 1 7.807 0.030 . 1 . . . . 53 ARG H . 11269 1 580 . 1 1 53 53 ARG HA H 1 4.074 0.030 . 1 . . . . 53 ARG HA . 11269 1 581 . 1 1 53 53 ARG HB2 H 1 1.652 0.030 . 2 . . . . 53 ARG HB2 . 11269 1 582 . 1 1 53 53 ARG HB3 H 1 1.713 0.030 . 2 . . . . 53 ARG HB3 . 11269 1 583 . 1 1 53 53 ARG HD2 H 1 3.072 0.030 . 1 . . . . 53 ARG HD2 . 11269 1 584 . 1 1 53 53 ARG HD3 H 1 3.072 0.030 . 1 . . . . 53 ARG HD3 . 11269 1 585 . 1 1 53 53 ARG HG2 H 1 1.414 0.030 . 1 . . . . 53 ARG HG2 . 11269 1 586 . 1 1 53 53 ARG HG3 H 1 1.414 0.030 . 1 . . . . 53 ARG HG3 . 11269 1 587 . 1 1 53 53 ARG C C 13 176.838 0.300 . 1 . . . . 53 ARG C . 11269 1 588 . 1 1 53 53 ARG CA C 13 57.766 0.300 . 1 . . . . 53 ARG CA . 11269 1 589 . 1 1 53 53 ARG CB C 13 30.285 0.300 . 1 . . . . 53 ARG CB . 11269 1 590 . 1 1 53 53 ARG CD C 13 43.607 0.300 . 1 . . . . 53 ARG CD . 11269 1 591 . 1 1 53 53 ARG CG C 13 26.913 0.300 . 1 . . . . 53 ARG CG . 11269 1 592 . 1 1 53 53 ARG N N 15 121.163 0.300 . 1 . . . . 53 ARG N . 11269 1 593 . 1 1 54 54 TYR H H 1 7.824 0.030 . 1 . . . . 54 TYR H . 11269 1 594 . 1 1 54 54 TYR HA H 1 4.488 0.030 . 1 . . . . 54 TYR HA . 11269 1 595 . 1 1 54 54 TYR HB2 H 1 2.821 0.030 . 2 . . . . 54 TYR HB2 . 11269 1 596 . 1 1 54 54 TYR HB3 H 1 3.133 0.030 . 2 . . . . 54 TYR HB3 . 11269 1 597 . 1 1 54 54 TYR HD1 H 1 7.119 0.030 . 1 . . . . 54 TYR HD1 . 11269 1 598 . 1 1 54 54 TYR HD2 H 1 7.119 0.030 . 1 . . . . 54 TYR HD2 . 11269 1 599 . 1 1 54 54 TYR HE1 H 1 6.793 0.030 . 1 . . . . 54 TYR HE1 . 11269 1 600 . 1 1 54 54 TYR HE2 H 1 6.793 0.030 . 1 . . . . 54 TYR HE2 . 11269 1 601 . 1 1 54 54 TYR C C 13 176.256 0.300 . 1 . . . . 54 TYR C . 11269 1 602 . 1 1 54 54 TYR CA C 13 58.575 0.300 . 1 . . . . 54 TYR CA . 11269 1 603 . 1 1 54 54 TYR CB C 13 38.320 0.300 . 1 . . . . 54 TYR CB . 11269 1 604 . 1 1 54 54 TYR CD1 C 13 133.214 0.300 . 1 . . . . 54 TYR CD1 . 11269 1 605 . 1 1 54 54 TYR CD2 C 13 133.214 0.300 . 1 . . . . 54 TYR CD2 . 11269 1 606 . 1 1 54 54 TYR CE1 C 13 118.196 0.300 . 1 . . . . 54 TYR CE1 . 11269 1 607 . 1 1 54 54 TYR CE2 C 13 118.196 0.300 . 1 . . . . 54 TYR CE2 . 11269 1 608 . 1 1 54 54 TYR N N 15 118.030 0.300 . 1 . . . . 54 TYR N . 11269 1 609 . 1 1 55 55 LEU H H 1 7.762 0.030 . 1 . . . . 55 LEU H . 11269 1 610 . 1 1 55 55 LEU HA H 1 4.159 0.030 . 1 . . . . 55 LEU HA . 11269 1 611 . 1 1 55 55 LEU HB2 H 1 1.233 0.030 . 2 . . . . 55 LEU HB2 . 11269 1 612 . 1 1 55 55 LEU HB3 H 1 1.460 0.030 . 2 . . . . 55 LEU HB3 . 11269 1 613 . 1 1 55 55 LEU HD11 H 1 0.765 0.030 . 1 . . . . 55 LEU HD1 . 11269 1 614 . 1 1 55 55 LEU HD12 H 1 0.765 0.030 . 1 . . . . 55 LEU HD1 . 11269 1 615 . 1 1 55 55 LEU HD13 H 1 0.765 0.030 . 1 . . . . 55 LEU HD1 . 11269 1 616 . 1 1 55 55 LEU HD21 H 1 0.825 0.030 . 1 . . . . 55 LEU HD2 . 11269 1 617 . 1 1 55 55 LEU HD22 H 1 0.825 0.030 . 1 . . . . 55 LEU HD2 . 11269 1 618 . 1 1 55 55 LEU HD23 H 1 0.825 0.030 . 1 . . . . 55 LEU HD2 . 11269 1 619 . 1 1 55 55 LEU HG H 1 1.388 0.030 . 1 . . . . 55 LEU HG . 11269 1 620 . 1 1 55 55 LEU C C 13 177.226 0.300 . 1 . . . . 55 LEU C . 11269 1 621 . 1 1 55 55 LEU CA C 13 55.866 0.300 . 1 . . . . 55 LEU CA . 11269 1 622 . 1 1 55 55 LEU CB C 13 42.373 0.300 . 1 . . . . 55 LEU CB . 11269 1 623 . 1 1 55 55 LEU CD1 C 13 23.459 0.300 . 2 . . . . 55 LEU CD1 . 11269 1 624 . 1 1 55 55 LEU CD2 C 13 25.022 0.300 . 2 . . . . 55 LEU CD2 . 11269 1 625 . 1 1 55 55 LEU CG C 13 26.913 0.300 . 1 . . . . 55 LEU CG . 11269 1 626 . 1 1 55 55 LEU N N 15 121.452 0.300 . 1 . . . . 55 LEU N . 11269 1 627 . 1 1 56 56 TYR H H 1 7.901 0.030 . 1 . . . . 56 TYR H . 11269 1 628 . 1 1 56 56 TYR HA H 1 4.606 0.030 . 1 . . . . 56 TYR HA . 11269 1 629 . 1 1 56 56 TYR HB2 H 1 2.900 0.030 . 2 . . . . 56 TYR HB2 . 11269 1 630 . 1 1 56 56 TYR HB3 H 1 3.172 0.030 . 2 . . . . 56 TYR HB3 . 11269 1 631 . 1 1 56 56 TYR HD1 H 1 7.119 0.030 . 1 . . . . 56 TYR HD1 . 11269 1 632 . 1 1 56 56 TYR HD2 H 1 7.119 0.030 . 1 . . . . 56 TYR HD2 . 11269 1 633 . 1 1 56 56 TYR HE1 H 1 6.793 0.030 . 1 . . . . 56 TYR HE1 . 11269 1 634 . 1 1 56 56 TYR HE2 H 1 6.793 0.030 . 1 . . . . 56 TYR HE2 . 11269 1 635 . 1 1 56 56 TYR C C 13 176.281 0.300 . 1 . . . . 56 TYR C . 11269 1 636 . 1 1 56 56 TYR CA C 13 57.695 0.300 . 1 . . . . 56 TYR CA . 11269 1 637 . 1 1 56 56 TYR CB C 13 38.672 0.300 . 1 . . . . 56 TYR CB . 11269 1 638 . 1 1 56 56 TYR CD1 C 13 133.214 0.300 . 1 . . . . 56 TYR CD1 . 11269 1 639 . 1 1 56 56 TYR CD2 C 13 133.214 0.300 . 1 . . . . 56 TYR CD2 . 11269 1 640 . 1 1 56 56 TYR CE1 C 13 118.196 0.300 . 1 . . . . 56 TYR CE1 . 11269 1 641 . 1 1 56 56 TYR CE2 C 13 118.196 0.300 . 1 . . . . 56 TYR CE2 . 11269 1 642 . 1 1 56 56 TYR N N 15 118.143 0.300 . 1 . . . . 56 TYR N . 11269 1 643 . 1 1 57 57 GLY H H 1 8.130 0.030 . 1 . . . . 57 GLY H . 11269 1 644 . 1 1 57 57 GLY HA2 H 1 3.956 0.030 . 1 . . . . 57 GLY HA2 . 11269 1 645 . 1 1 57 57 GLY HA3 H 1 3.956 0.030 . 1 . . . . 57 GLY HA3 . 11269 1 646 . 1 1 57 57 GLY C C 13 174.027 0.300 . 1 . . . . 57 GLY C . 11269 1 647 . 1 1 57 57 GLY CA C 13 45.345 0.300 . 1 . . . . 57 GLY CA . 11269 1 648 . 1 1 57 57 GLY N N 15 109.511 0.300 . 1 . . . . 57 GLY N . 11269 1 649 . 1 1 58 58 GLU H H 1 8.300 0.030 . 1 . . . . 58 GLU H . 11269 1 650 . 1 1 58 58 GLU HA H 1 4.272 0.030 . 1 . . . . 58 GLU HA . 11269 1 651 . 1 1 58 58 GLU HB2 H 1 1.923 0.030 . 2 . . . . 58 GLU HB2 . 11269 1 652 . 1 1 58 58 GLU HB3 H 1 2.079 0.030 . 2 . . . . 58 GLU HB3 . 11269 1 653 . 1 1 58 58 GLU HG2 H 1 2.243 0.030 . 1 . . . . 58 GLU HG2 . 11269 1 654 . 1 1 58 58 GLU HG3 H 1 2.243 0.030 . 1 . . . . 58 GLU HG3 . 11269 1 655 . 1 1 58 58 GLU C C 13 177.008 0.300 . 1 . . . . 58 GLU C . 11269 1 656 . 1 1 58 58 GLU CA C 13 56.745 0.300 . 1 . . . . 58 GLU CA . 11269 1 657 . 1 1 58 58 GLU CB C 13 30.499 0.300 . 1 . . . . 58 GLU CB . 11269 1 658 . 1 1 58 58 GLU CG C 13 36.205 0.300 . 1 . . . . 58 GLU CG . 11269 1 659 . 1 1 58 58 GLU N N 15 120.199 0.300 . 1 . . . . 58 GLU N . 11269 1 660 . 1 1 59 59 GLY H H 1 8.407 0.030 . 1 . . . . 59 GLY H . 11269 1 661 . 1 1 59 59 GLY HA2 H 1 3.890 0.030 . 1 . . . . 59 GLY HA2 . 11269 1 662 . 1 1 59 59 GLY HA3 H 1 3.890 0.030 . 1 . . . . 59 GLY HA3 . 11269 1 663 . 1 1 59 59 GLY C C 13 173.761 0.300 . 1 . . . . 59 GLY C . 11269 1 664 . 1 1 59 59 GLY CA C 13 45.310 0.300 . 1 . . . . 59 GLY CA . 11269 1 665 . 1 1 59 59 GLY N N 15 109.535 0.300 . 1 . . . . 59 GLY N . 11269 1 666 . 1 1 60 60 ASP H H 1 8.186 0.030 . 1 . . . . 60 ASP H . 11269 1 667 . 1 1 60 60 ASP HA H 1 4.591 0.030 . 1 . . . . 60 ASP HA . 11269 1 668 . 1 1 60 60 ASP HB2 H 1 2.601 0.030 . 2 . . . . 60 ASP HB2 . 11269 1 669 . 1 1 60 60 ASP HB3 H 1 2.709 0.030 . 2 . . . . 60 ASP HB3 . 11269 1 670 . 1 1 60 60 ASP C C 13 176.402 0.300 . 1 . . . . 60 ASP C . 11269 1 671 . 1 1 60 60 ASP CA C 13 54.493 0.300 . 1 . . . . 60 ASP CA . 11269 1 672 . 1 1 60 60 ASP CB C 13 41.304 0.300 . 1 . . . . 60 ASP CB . 11269 1 673 . 1 1 60 60 ASP N N 15 120.361 0.300 . 1 . . . . 60 ASP N . 11269 1 674 . 1 1 61 61 LEU H H 1 8.193 0.030 . 1 . . . . 61 LEU H . 11269 1 675 . 1 1 61 61 LEU HA H 1 4.246 0.030 . 1 . . . . 61 LEU HA . 11269 1 676 . 1 1 61 61 LEU HB2 H 1 1.468 0.030 . 2 . . . . 61 LEU HB2 . 11269 1 677 . 1 1 61 61 LEU HB3 H 1 1.585 0.030 . 2 . . . . 61 LEU HB3 . 11269 1 678 . 1 1 61 61 LEU HD11 H 1 0.816 0.030 . 1 . . . . 61 LEU HD1 . 11269 1 679 . 1 1 61 61 LEU HD12 H 1 0.816 0.030 . 1 . . . . 61 LEU HD1 . 11269 1 680 . 1 1 61 61 LEU HD13 H 1 0.816 0.030 . 1 . . . . 61 LEU HD1 . 11269 1 681 . 1 1 61 61 LEU HD21 H 1 0.816 0.030 . 1 . . . . 61 LEU HD2 . 11269 1 682 . 1 1 61 61 LEU HD22 H 1 0.816 0.030 . 1 . . . . 61 LEU HD2 . 11269 1 683 . 1 1 61 61 LEU HD23 H 1 0.816 0.030 . 1 . . . . 61 LEU HD2 . 11269 1 684 . 1 1 61 61 LEU HG H 1 1.582 0.030 . 1 . . . . 61 LEU HG . 11269 1 685 . 1 1 61 61 LEU C C 13 176.911 0.300 . 1 . . . . 61 LEU C . 11269 1 686 . 1 1 61 61 LEU CA C 13 55.338 0.300 . 1 . . . . 61 LEU CA . 11269 1 687 . 1 1 61 61 LEU CB C 13 42.118 0.300 . 1 . . . . 61 LEU CB . 11269 1 688 . 1 1 61 61 LEU CD1 C 13 23.350 0.300 . 2 . . . . 61 LEU CD1 . 11269 1 689 . 1 1 61 61 LEU CD2 C 13 23.541 0.300 . 2 . . . . 61 LEU CD2 . 11269 1 690 . 1 1 61 61 LEU CG C 13 26.925 0.300 . 1 . . . . 61 LEU CG . 11269 1 691 . 1 1 61 61 LEU N N 15 122.307 0.300 . 1 . . . . 61 LEU N . 11269 1 692 . 1 1 62 62 ASN H H 1 8.308 0.030 . 1 . . . . 62 ASN H . 11269 1 693 . 1 1 62 62 ASN HA H 1 4.629 0.030 . 1 . . . . 62 ASN HA . 11269 1 694 . 1 1 62 62 ASN HB2 H 1 2.637 0.030 . 2 . . . . 62 ASN HB2 . 11269 1 695 . 1 1 62 62 ASN HB3 H 1 2.730 0.030 . 2 . . . . 62 ASN HB3 . 11269 1 696 . 1 1 62 62 ASN HD21 H 1 7.598 0.030 . 2 . . . . 62 ASN HD21 . 11269 1 697 . 1 1 62 62 ASN HD22 H 1 6.884 0.030 . 2 . . . . 62 ASN HD22 . 11269 1 698 . 1 1 62 62 ASN C C 13 174.730 0.300 . 1 . . . . 62 ASN C . 11269 1 699 . 1 1 62 62 ASN CA C 13 53.121 0.300 . 1 . . . . 62 ASN CA . 11269 1 700 . 1 1 62 62 ASN CB C 13 38.919 0.300 . 1 . . . . 62 ASN CB . 11269 1 701 . 1 1 62 62 ASN N N 15 118.762 0.300 . 1 . . . . 62 ASN N . 11269 1 702 . 1 1 62 62 ASN ND2 N 15 113.355 0.300 . 1 . . . . 62 ASN ND2 . 11269 1 703 . 1 1 63 63 PHE H H 1 8.138 0.030 . 1 . . . . 63 PHE H . 11269 1 704 . 1 1 63 63 PHE HA H 1 4.604 0.030 . 1 . . . . 63 PHE HA . 11269 1 705 . 1 1 63 63 PHE HB2 H 1 2.996 0.030 . 2 . . . . 63 PHE HB2 . 11269 1 706 . 1 1 63 63 PHE HB3 H 1 3.146 0.030 . 2 . . . . 63 PHE HB3 . 11269 1 707 . 1 1 63 63 PHE HD1 H 1 7.221 0.030 . 1 . . . . 63 PHE HD1 . 11269 1 708 . 1 1 63 63 PHE HD2 H 1 7.221 0.030 . 1 . . . . 63 PHE HD2 . 11269 1 709 . 1 1 63 63 PHE HZ H 1 7.273 0.030 . 1 . . . . 63 PHE HZ . 11269 1 710 . 1 1 63 63 PHE C C 13 175.602 0.300 . 1 . . . . 63 PHE C . 11269 1 711 . 1 1 63 63 PHE CA C 13 57.836 0.300 . 1 . . . . 63 PHE CA . 11269 1 712 . 1 1 63 63 PHE CB C 13 39.660 0.300 . 1 . . . . 63 PHE CB . 11269 1 713 . 1 1 63 63 PHE CD1 C 13 131.756 0.300 . 1 . . . . 63 PHE CD1 . 11269 1 714 . 1 1 63 63 PHE CD2 C 13 131.756 0.300 . 1 . . . . 63 PHE CD2 . 11269 1 715 . 1 1 63 63 PHE CZ C 13 129.350 0.300 . 1 . . . . 63 PHE CZ . 11269 1 716 . 1 1 63 63 PHE N N 15 121.058 0.300 . 1 . . . . 63 PHE N . 11269 1 717 . 1 1 64 64 SER H H 1 8.177 0.030 . 1 . . . . 64 SER H . 11269 1 718 . 1 1 64 64 SER HA H 1 4.417 0.030 . 1 . . . . 64 SER HA . 11269 1 719 . 1 1 64 64 SER HB2 H 1 3.789 0.030 . 2 . . . . 64 SER HB2 . 11269 1 720 . 1 1 64 64 SER HB3 H 1 3.828 0.030 . 2 . . . . 64 SER HB3 . 11269 1 721 . 1 1 64 64 SER C C 13 173.979 0.300 . 1 . . . . 64 SER C . 11269 1 722 . 1 1 64 64 SER CA C 13 58.082 0.300 . 1 . . . . 64 SER CA . 11269 1 723 . 1 1 64 64 SER CB C 13 63.918 0.300 . 1 . . . . 64 SER CB . 11269 1 724 . 1 1 64 64 SER N N 15 117.414 0.300 . 1 . . . . 64 SER N . 11269 1 725 . 1 1 65 65 ASP H H 1 8.307 0.030 . 1 . . . . 65 ASP H . 11269 1 726 . 1 1 65 65 ASP HA H 1 4.593 0.030 . 1 . . . . 65 ASP HA . 11269 1 727 . 1 1 65 65 ASP HB2 H 1 2.674 0.030 . 2 . . . . 65 ASP HB2 . 11269 1 728 . 1 1 65 65 ASP HB3 H 1 2.715 0.030 . 2 . . . . 65 ASP HB3 . 11269 1 729 . 1 1 65 65 ASP C C 13 176.111 0.300 . 1 . . . . 65 ASP C . 11269 1 730 . 1 1 65 65 ASP CA C 13 54.423 0.300 . 1 . . . . 65 ASP CA . 11269 1 731 . 1 1 65 65 ASP CB C 13 41.222 0.300 . 1 . . . . 65 ASP CB . 11269 1 732 . 1 1 65 65 ASP N N 15 122.734 0.300 . 1 . . . . 65 ASP N . 11269 1 733 . 1 1 66 66 ASP H H 1 8.316 0.030 . 1 . . . . 66 ASP H . 11269 1 734 . 1 1 66 66 ASP HA H 1 4.630 0.030 . 1 . . . . 66 ASP HA . 11269 1 735 . 1 1 66 66 ASP HB2 H 1 2.680 0.030 . 2 . . . . 66 ASP HB2 . 11269 1 736 . 1 1 66 66 ASP HB3 H 1 2.710 0.030 . 2 . . . . 66 ASP HB3 . 11269 1 737 . 1 1 66 66 ASP C C 13 176.741 0.300 . 1 . . . . 66 ASP C . 11269 1 738 . 1 1 66 66 ASP CA C 13 54.317 0.300 . 1 . . . . 66 ASP CA . 11269 1 739 . 1 1 66 66 ASP CB C 13 40.893 0.300 . 1 . . . . 66 ASP CB . 11269 1 740 . 1 1 66 66 ASP N N 15 121.324 0.300 . 1 . . . . 66 ASP N . 11269 1 741 . 1 1 67 67 SER H H 1 8.367 0.030 . 1 . . . . 67 SER H . 11269 1 742 . 1 1 67 67 SER HA H 1 4.341 0.030 . 1 . . . . 67 SER HA . 11269 1 743 . 1 1 67 67 SER HB2 H 1 3.929 0.030 . 1 . . . . 67 SER HB2 . 11269 1 744 . 1 1 67 67 SER HB3 H 1 3.929 0.030 . 1 . . . . 67 SER HB3 . 11269 1 745 . 1 1 67 67 SER C C 13 175.457 0.300 . 1 . . . . 67 SER C . 11269 1 746 . 1 1 67 67 SER CA C 13 59.419 0.300 . 1 . . . . 67 SER CA . 11269 1 747 . 1 1 67 67 SER CB C 13 63.754 0.300 . 1 . . . . 67 SER CB . 11269 1 748 . 1 1 67 67 SER N N 15 116.612 0.300 . 1 . . . . 67 SER N . 11269 1 749 . 1 1 68 68 GLY H H 1 8.439 0.030 . 1 . . . . 68 GLY H . 11269 1 750 . 1 1 68 68 GLY HA2 H 1 3.950 0.030 . 1 . . . . 68 GLY HA2 . 11269 1 751 . 1 1 68 68 GLY HA3 H 1 3.950 0.030 . 1 . . . . 68 GLY HA3 . 11269 1 752 . 1 1 68 68 GLY C C 13 174.318 0.300 . 1 . . . . 68 GLY C . 11269 1 753 . 1 1 68 68 GLY CA C 13 45.521 0.300 . 1 . . . . 68 GLY CA . 11269 1 754 . 1 1 68 68 GLY N N 15 110.651 0.300 . 1 . . . . 68 GLY N . 11269 1 755 . 1 1 69 69 ILE H H 1 7.909 0.030 . 1 . . . . 69 ILE H . 11269 1 756 . 1 1 69 69 ILE HA H 1 4.221 0.030 . 1 . . . . 69 ILE HA . 11269 1 757 . 1 1 69 69 ILE HB H 1 1.891 0.030 . 1 . . . . 69 ILE HB . 11269 1 758 . 1 1 69 69 ILE HD11 H 1 0.848 0.030 . 1 . . . . 69 ILE HD1 . 11269 1 759 . 1 1 69 69 ILE HD12 H 1 0.848 0.030 . 1 . . . . 69 ILE HD1 . 11269 1 760 . 1 1 69 69 ILE HD13 H 1 0.848 0.030 . 1 . . . . 69 ILE HD1 . 11269 1 761 . 1 1 69 69 ILE HG12 H 1 1.156 0.030 . 2 . . . . 69 ILE HG12 . 11269 1 762 . 1 1 69 69 ILE HG13 H 1 1.398 0.030 . 2 . . . . 69 ILE HG13 . 11269 1 763 . 1 1 69 69 ILE HG21 H 1 0.899 0.030 . 1 . . . . 69 ILE HG2 . 11269 1 764 . 1 1 69 69 ILE HG22 H 1 0.899 0.030 . 1 . . . . 69 ILE HG2 . 11269 1 765 . 1 1 69 69 ILE HG23 H 1 0.899 0.030 . 1 . . . . 69 ILE HG2 . 11269 1 766 . 1 1 69 69 ILE C C 13 176.402 0.300 . 1 . . . . 69 ILE C . 11269 1 767 . 1 1 69 69 ILE CA C 13 61.319 0.300 . 1 . . . . 69 ILE CA . 11269 1 768 . 1 1 69 69 ILE CB C 13 38.767 0.300 . 1 . . . . 69 ILE CB . 11269 1 769 . 1 1 69 69 ILE CD1 C 13 13.052 0.300 . 1 . . . . 69 ILE CD1 . 11269 1 770 . 1 1 69 69 ILE CG1 C 13 27.324 0.300 . 1 . . . . 69 ILE CG1 . 11269 1 771 . 1 1 69 69 ILE CG2 C 13 17.492 0.300 . 1 . . . . 69 ILE CG2 . 11269 1 772 . 1 1 69 69 ILE N N 15 119.714 0.300 . 1 . . . . 69 ILE N . 11269 1 773 . 1 1 70 70 SER H H 1 8.391 0.030 . 1 . . . . 70 SER H . 11269 1 774 . 1 1 70 70 SER C C 13 174.512 0.300 . 1 . . . . 70 SER C . 11269 1 775 . 1 1 70 70 SER CA C 13 58.293 0.300 . 1 . . . . 70 SER CA . 11269 1 776 . 1 1 70 70 SER CB C 13 64.083 0.300 . 1 . . . . 70 SER CB . 11269 1 777 . 1 1 70 70 SER N N 15 119.625 0.300 . 1 . . . . 70 SER N . 11269 1 778 . 1 1 72 72 PRO HA H 1 4.476 0.030 . 1 . . . . 72 PRO HA . 11269 1 779 . 1 1 72 72 PRO HB2 H 1 1.981 0.030 . 2 . . . . 72 PRO HB2 . 11269 1 780 . 1 1 72 72 PRO HB3 H 1 2.298 0.030 . 2 . . . . 72 PRO HB3 . 11269 1 781 . 1 1 72 72 PRO C C 13 177.444 0.300 . 1 . . . . 72 PRO C . 11269 1 782 . 1 1 72 72 PRO CA C 13 63.219 0.300 . 1 . . . . 72 PRO CA . 11269 1 783 . 1 1 72 72 PRO CB C 13 32.258 0.300 . 1 . . . . 72 PRO CB . 11269 1 784 . 1 1 73 73 SER H H 1 8.536 0.030 . 1 . . . . 73 SER H . 11269 1 785 . 1 1 73 73 SER HA H 1 4.487 0.030 . 1 . . . . 73 SER HA . 11269 1 786 . 1 1 73 73 SER HB2 H 1 3.889 0.030 . 1 . . . . 73 SER HB2 . 11269 1 787 . 1 1 73 73 SER HB3 H 1 3.889 0.030 . 1 . . . . 73 SER HB3 . 11269 1 788 . 1 1 73 73 SER C C 13 174.730 0.300 . 1 . . . . 73 SER C . 11269 1 789 . 1 1 73 73 SER CA C 13 58.434 0.300 . 1 . . . . 73 SER CA . 11269 1 790 . 1 1 73 73 SER CB C 13 63.754 0.300 . 1 . . . . 73 SER CB . 11269 1 791 . 1 1 73 73 SER N N 15 116.477 0.300 . 1 . . . . 73 SER N . 11269 1 792 . 1 1 74 74 SER H H 1 8.345 0.030 . 1 . . . . 74 SER H . 11269 1 793 . 1 1 74 74 SER HA H 1 4.479 0.030 . 1 . . . . 74 SER HA . 11269 1 794 . 1 1 74 74 SER HB2 H 1 3.878 0.030 . 1 . . . . 74 SER HB2 . 11269 1 795 . 1 1 74 74 SER HB3 H 1 3.878 0.030 . 1 . . . . 74 SER HB3 . 11269 1 796 . 1 1 74 74 SER C C 13 173.979 0.300 . 1 . . . . 74 SER C . 11269 1 797 . 1 1 74 74 SER CA C 13 58.364 0.300 . 1 . . . . 74 SER CA . 11269 1 798 . 1 1 74 74 SER CB C 13 64.165 0.300 . 1 . . . . 74 SER CB . 11269 1 799 . 1 1 74 74 SER N N 15 117.948 0.300 . 1 . . . . 74 SER N . 11269 1 800 . 1 1 75 75 GLY H H 1 8.046 0.030 . 1 . . . . 75 GLY H . 11269 1 801 . 1 1 75 75 GLY C C 13 179.018 0.300 . 1 . . . . 75 GLY C . 11269 1 802 . 1 1 75 75 GLY CA C 13 46.190 0.300 . 1 . . . . 75 GLY CA . 11269 1 803 . 1 1 75 75 GLY N N 15 116.884 0.300 . 1 . . . . 75 GLY N . 11269 1 stop_ save_