data_11279 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11279 _Entry.Title ; 2DZI/Solution Structure of the N-terminal Ubiquitin-like Domain in Human Ubiquitin-like Protein 4A (GDX) ; _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 . . . 11279 2 M. Sato . . . 11279 3 S. Koshiba . . . 11279 4 S. Watanabe . . . 11279 5 T. Harada . . . 11279 6 T. Kigawa . . . 11279 7 S. Yokoyama . . . 11279 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)' . 11279 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11279 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 347 11279 '15N chemical shifts' 81 11279 '1H chemical shifts' 571 11279 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 . 11279 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DZI 'BMRB Entry Tracking System' 11279 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11279 _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 ; 2DZI/Solution Structure of the N-terminal Ubiquitin-like Domain in Human Ubiquitin-like Protein 4A (GDX) ; _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 . . . 11279 1 2 M. Sato . . . 11279 1 3 S. Koshiba . . . 11279 1 4 S. Watanabe . . . 11279 1 5 T. Harada . . . 11279 1 6 T. Kigawa . . . 11279 1 7 S. Yokoyama . . . 11279 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11279 _Assembly.ID 1 _Assembly.Name 'Ubiquitin-like protein 4A' _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 'ubiquitin-like domain' 1 $entity_1 A . yes native no no . . . 11279 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 2dzi . . . . . . 11279 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11279 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'ubiquitin-like 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 ; GSSGSSGMQLTVKALQGREC SLQVPEDELVSTLKQLVSEK LNVPVRQQRLLFKGKALADG KRLSDYSIGPNSKLNLVVKP L ; _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 81 _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 2DZI . "2dziSOLUTION STRUCTURE OF THE N-Terminal Ubiquitin-Like Domain In Human Ubiquitin-Like Protein 4a (Gdx)" . . . . . 100.00 81 100.00 100.00 6.16e-48 . . . . 11279 1 2 no DBJ BAG56766 . "unnamed protein product [Homo sapiens]" . . . . . 62.96 151 100.00 100.00 5.17e-25 . . . . 11279 1 3 no EMBL CAH93235 . "hypothetical protein [Pongo abelii]" . . . . . 91.36 157 100.00 100.00 9.60e-43 . . . . 11279 1 4 no GB AAA36790 . "ubiquitin-like protein [Homo sapiens]" . . . . . 91.36 157 100.00 100.00 8.99e-43 . . . . 11279 1 5 no GB AAA92650 . "ubiquitin-like protein [Homo sapiens]" . . . . . 91.36 157 100.00 100.00 8.99e-43 . . . . 11279 1 6 no GB AAH43346 . "Ubiquitin-like 4A [Homo sapiens]" . . . . . 91.36 157 100.00 100.00 8.99e-43 . . . . 11279 1 7 no GB AAH53589 . "Ubiquitin-like 4A [Homo sapiens]" . . . . . 91.36 157 100.00 100.00 8.99e-43 . . . . 11279 1 8 no GB ABZ10495 . "ubiquitin-like 4A (predicted) [Callithrix jacchus]" . . . . . 91.36 157 98.65 100.00 4.98e-42 . . . . 11279 1 9 no REF NP_001126901 . "ubiquitin-like protein 4A [Pongo abelii]" . . . . . 91.36 157 100.00 100.00 9.60e-43 . . . . 11279 1 10 no REF NP_001164852 . "ubiquitin-like protein 4A [Oryctolagus cuniculus]" . . . . . 91.36 157 97.30 98.65 3.57e-41 . . . . 11279 1 11 no REF NP_001229350 . "ubiquitin-like protein 4A [Pan troglodytes]" . . . . . 91.36 157 100.00 100.00 8.99e-43 . . . . 11279 1 12 no REF NP_001253630 . "ubiquitin-like protein 4A [Macaca mulatta]" . . . . . 91.36 157 100.00 100.00 8.71e-43 . . . . 11279 1 13 no REF NP_055050 . "ubiquitin-like protein 4A [Homo sapiens]" . . . . . 91.36 157 100.00 100.00 8.99e-43 . . . . 11279 1 14 no SP B0KWT6 . "RecName: Full=Ubiquitin-like protein 4A" . . . . . 91.36 157 98.65 100.00 4.98e-42 . . . . 11279 1 15 no SP B1MTV8 . "RecName: Full=Ubiquitin-like protein 4A" . . . . . 91.36 157 100.00 100.00 8.80e-43 . . . . 11279 1 16 no SP B7NZQ9 . "RecName: Full=Ubiquitin-like protein 4A" . . . . . 91.36 157 97.30 98.65 3.57e-41 . . . . 11279 1 17 no SP P11441 . "RecName: Full=Ubiquitin-like protein 4A; AltName: Full=Ubiquitin-like protein GDX" . . . . . 91.36 157 100.00 100.00 8.99e-43 . . . . 11279 1 18 no SP Q5R4T1 . "RecName: Full=Ubiquitin-like protein 4A" . . . . . 91.36 157 100.00 100.00 9.60e-43 . . . . 11279 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ubiquitin-like domain' . 11279 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 . 11279 1 2 . SER . 11279 1 3 . SER . 11279 1 4 . GLY . 11279 1 5 . SER . 11279 1 6 . SER . 11279 1 7 . GLY . 11279 1 8 . MET . 11279 1 9 . GLN . 11279 1 10 . LEU . 11279 1 11 . THR . 11279 1 12 . VAL . 11279 1 13 . LYS . 11279 1 14 . ALA . 11279 1 15 . LEU . 11279 1 16 . GLN . 11279 1 17 . GLY . 11279 1 18 . ARG . 11279 1 19 . GLU . 11279 1 20 . CYS . 11279 1 21 . SER . 11279 1 22 . LEU . 11279 1 23 . GLN . 11279 1 24 . VAL . 11279 1 25 . PRO . 11279 1 26 . GLU . 11279 1 27 . ASP . 11279 1 28 . GLU . 11279 1 29 . LEU . 11279 1 30 . VAL . 11279 1 31 . SER . 11279 1 32 . THR . 11279 1 33 . LEU . 11279 1 34 . LYS . 11279 1 35 . GLN . 11279 1 36 . LEU . 11279 1 37 . VAL . 11279 1 38 . SER . 11279 1 39 . GLU . 11279 1 40 . LYS . 11279 1 41 . LEU . 11279 1 42 . ASN . 11279 1 43 . VAL . 11279 1 44 . PRO . 11279 1 45 . VAL . 11279 1 46 . ARG . 11279 1 47 . GLN . 11279 1 48 . GLN . 11279 1 49 . ARG . 11279 1 50 . LEU . 11279 1 51 . LEU . 11279 1 52 . PHE . 11279 1 53 . LYS . 11279 1 54 . GLY . 11279 1 55 . LYS . 11279 1 56 . ALA . 11279 1 57 . LEU . 11279 1 58 . ALA . 11279 1 59 . ASP . 11279 1 60 . GLY . 11279 1 61 . LYS . 11279 1 62 . ARG . 11279 1 63 . LEU . 11279 1 64 . SER . 11279 1 65 . ASP . 11279 1 66 . TYR . 11279 1 67 . SER . 11279 1 68 . ILE . 11279 1 69 . GLY . 11279 1 70 . PRO . 11279 1 71 . ASN . 11279 1 72 . SER . 11279 1 73 . LYS . 11279 1 74 . LEU . 11279 1 75 . ASN . 11279 1 76 . LEU . 11279 1 77 . VAL . 11279 1 78 . VAL . 11279 1 79 . LYS . 11279 1 80 . PRO . 11279 1 81 . LEU . 11279 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 11279 1 . SER 2 2 11279 1 . SER 3 3 11279 1 . GLY 4 4 11279 1 . SER 5 5 11279 1 . SER 6 6 11279 1 . GLY 7 7 11279 1 . MET 8 8 11279 1 . GLN 9 9 11279 1 . LEU 10 10 11279 1 . THR 11 11 11279 1 . VAL 12 12 11279 1 . LYS 13 13 11279 1 . ALA 14 14 11279 1 . LEU 15 15 11279 1 . GLN 16 16 11279 1 . GLY 17 17 11279 1 . ARG 18 18 11279 1 . GLU 19 19 11279 1 . CYS 20 20 11279 1 . SER 21 21 11279 1 . LEU 22 22 11279 1 . GLN 23 23 11279 1 . VAL 24 24 11279 1 . PRO 25 25 11279 1 . GLU 26 26 11279 1 . ASP 27 27 11279 1 . GLU 28 28 11279 1 . LEU 29 29 11279 1 . VAL 30 30 11279 1 . SER 31 31 11279 1 . THR 32 32 11279 1 . LEU 33 33 11279 1 . LYS 34 34 11279 1 . GLN 35 35 11279 1 . LEU 36 36 11279 1 . VAL 37 37 11279 1 . SER 38 38 11279 1 . GLU 39 39 11279 1 . LYS 40 40 11279 1 . LEU 41 41 11279 1 . ASN 42 42 11279 1 . VAL 43 43 11279 1 . PRO 44 44 11279 1 . VAL 45 45 11279 1 . ARG 46 46 11279 1 . GLN 47 47 11279 1 . GLN 48 48 11279 1 . ARG 49 49 11279 1 . LEU 50 50 11279 1 . LEU 51 51 11279 1 . PHE 52 52 11279 1 . LYS 53 53 11279 1 . GLY 54 54 11279 1 . LYS 55 55 11279 1 . ALA 56 56 11279 1 . LEU 57 57 11279 1 . ALA 58 58 11279 1 . ASP 59 59 11279 1 . GLY 60 60 11279 1 . LYS 61 61 11279 1 . ARG 62 62 11279 1 . LEU 63 63 11279 1 . SER 64 64 11279 1 . ASP 65 65 11279 1 . TYR 66 66 11279 1 . SER 67 67 11279 1 . ILE 68 68 11279 1 . GLY 69 69 11279 1 . PRO 70 70 11279 1 . ASN 71 71 11279 1 . SER 72 72 11279 1 . LYS 73 73 11279 1 . LEU 74 74 11279 1 . ASN 75 75 11279 1 . LEU 76 76 11279 1 . VAL 77 77 11279 1 . VAL 78 78 11279 1 . LYS 79 79 11279 1 . PRO 80 80 11279 1 . LEU 81 81 11279 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 11279 _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 . . . . . . . . . . . . . . . . . . . . . 11279 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 11279 _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 . . P060227-19 . . . . . . 11279 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11279 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.18mM ubiquitin-like domain U-15N, {13C;} 20mM d-Tris-HCl (pH7.0), 100mM NaCl, 1mM d-DTT, 0.02% NaN3, 90% H2O, 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'ubiquitin-like domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.18 . . mM . . . . 11279 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11279 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11279 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11279 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11279 1 6 H2O . . . . . . solvent 90 . . % . . . . 11279 1 7 D2O . . . . . . solvent 10 . . % . . . . 11279 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 11279 _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 11279 1 pH 7.0 0.05 pH 11279 1 pressure 1 0.001 atm 11279 1 temperature 296.0 0.1 K 11279 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11279 _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 . . 11279 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11279 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11279 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11279 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11279 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11279 _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.' . . 11279 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11279 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11279 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9748 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11279 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11279 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11279 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11279 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11279 5 'structure solution' 11279 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 11279 _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 11279 _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 . . . 11279 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 11279 _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 . . . . . . . . . . . . . . . . 11279 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11279 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 11279 _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 . . . . . . . . . 11279 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11279 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11279 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 11279 _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 11279 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11279 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 . . 11279 1 2 $NMRPipe . . 11279 1 3 $NMRView . . 11279 1 4 $Kujira . . 11279 1 5 $CYANA . . 11279 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 4.481 0.030 . 1 . . . . 6 SER HA . 11279 1 2 . 1 1 6 6 SER HB2 H 1 3.856 0.030 . 1 . . . . 6 SER HB2 . 11279 1 3 . 1 1 6 6 SER HB3 H 1 3.856 0.030 . 1 . . . . 6 SER HB3 . 11279 1 4 . 1 1 6 6 SER C C 13 174.418 0.300 . 1 . . . . 6 SER C . 11279 1 5 . 1 1 6 6 SER CA C 13 58.508 0.300 . 1 . . . . 6 SER CA . 11279 1 6 . 1 1 6 6 SER CB C 13 64.003 0.300 . 1 . . . . 6 SER CB . 11279 1 7 . 1 1 7 7 GLY H H 1 8.291 0.030 . 1 . . . . 7 GLY H . 11279 1 8 . 1 1 7 7 GLY HA2 H 1 3.823 0.030 . 2 . . . . 7 GLY HA2 . 11279 1 9 . 1 1 7 7 GLY HA3 H 1 3.863 0.030 . 2 . . . . 7 GLY HA3 . 11279 1 10 . 1 1 7 7 GLY C C 13 172.553 0.300 . 1 . . . . 7 GLY C . 11279 1 11 . 1 1 7 7 GLY CA C 13 44.961 0.300 . 1 . . . . 7 GLY CA . 11279 1 12 . 1 1 7 7 GLY N N 15 110.058 0.300 . 1 . . . . 7 GLY N . 11279 1 13 . 1 1 8 8 MET H H 1 9.131 0.030 . 1 . . . . 8 MET H . 11279 1 14 . 1 1 8 8 MET HA H 1 4.753 0.030 . 1 . . . . 8 MET HA . 11279 1 15 . 1 1 8 8 MET HB2 H 1 1.885 0.030 . 2 . . . . 8 MET HB2 . 11279 1 16 . 1 1 8 8 MET HB3 H 1 1.958 0.030 . 2 . . . . 8 MET HB3 . 11279 1 17 . 1 1 8 8 MET HE1 H 1 1.850 0.030 . 1 . . . . 8 MET HE . 11279 1 18 . 1 1 8 8 MET HE2 H 1 1.850 0.030 . 1 . . . . 8 MET HE . 11279 1 19 . 1 1 8 8 MET HE3 H 1 1.850 0.030 . 1 . . . . 8 MET HE . 11279 1 20 . 1 1 8 8 MET HG2 H 1 2.114 0.030 . 2 . . . . 8 MET HG2 . 11279 1 21 . 1 1 8 8 MET HG3 H 1 2.616 0.030 . 2 . . . . 8 MET HG3 . 11279 1 22 . 1 1 8 8 MET C C 13 173.231 0.300 . 1 . . . . 8 MET C . 11279 1 23 . 1 1 8 8 MET CA C 13 53.933 0.300 . 1 . . . . 8 MET CA . 11279 1 24 . 1 1 8 8 MET CB C 13 35.633 0.300 . 1 . . . . 8 MET CB . 11279 1 25 . 1 1 8 8 MET CE C 13 18.994 0.300 . 1 . . . . 8 MET CE . 11279 1 26 . 1 1 8 8 MET CG C 13 31.274 0.300 . 1 . . . . 8 MET CG . 11279 1 27 . 1 1 8 8 MET N N 15 120.158 0.300 . 1 . . . . 8 MET N . 11279 1 28 . 1 1 9 9 GLN H H 1 8.688 0.030 . 1 . . . . 9 GLN H . 11279 1 29 . 1 1 9 9 GLN HA H 1 4.988 0.030 . 1 . . . . 9 GLN HA . 11279 1 30 . 1 1 9 9 GLN HB2 H 1 1.985 0.030 . 2 . . . . 9 GLN HB2 . 11279 1 31 . 1 1 9 9 GLN HB3 H 1 2.094 0.030 . 2 . . . . 9 GLN HB3 . 11279 1 32 . 1 1 9 9 GLN HE21 H 1 7.564 0.030 . 2 . . . . 9 GLN HE21 . 11279 1 33 . 1 1 9 9 GLN HE22 H 1 6.845 0.030 . 2 . . . . 9 GLN HE22 . 11279 1 34 . 1 1 9 9 GLN HG2 H 1 2.343 0.030 . 2 . . . . 9 GLN HG2 . 11279 1 35 . 1 1 9 9 GLN C C 13 175.557 0.300 . 1 . . . . 9 GLN C . 11279 1 36 . 1 1 9 9 GLN CA C 13 55.270 0.300 . 1 . . . . 9 GLN CA . 11279 1 37 . 1 1 9 9 GLN CB C 13 29.724 0.300 . 1 . . . . 9 GLN CB . 11279 1 38 . 1 1 9 9 GLN CG C 13 34.399 0.300 . 1 . . . . 9 GLN CG . 11279 1 39 . 1 1 9 9 GLN N N 15 122.122 0.300 . 1 . . . . 9 GLN N . 11279 1 40 . 1 1 9 9 GLN NE2 N 15 112.043 0.300 . 1 . . . . 9 GLN NE2 . 11279 1 41 . 1 1 10 10 LEU H H 1 8.918 0.030 . 1 . . . . 10 LEU H . 11279 1 42 . 1 1 10 10 LEU HA H 1 4.800 0.030 . 1 . . . . 10 LEU HA . 11279 1 43 . 1 1 10 10 LEU HB2 H 1 1.422 0.030 . 1 . . . . 10 LEU HB2 . 11279 1 44 . 1 1 10 10 LEU HB3 H 1 1.422 0.030 . 1 . . . . 10 LEU HB3 . 11279 1 45 . 1 1 10 10 LEU HD11 H 1 0.692 0.030 . 1 . . . . 10 LEU HD1 . 11279 1 46 . 1 1 10 10 LEU HD12 H 1 0.692 0.030 . 1 . . . . 10 LEU HD1 . 11279 1 47 . 1 1 10 10 LEU HD13 H 1 0.692 0.030 . 1 . . . . 10 LEU HD1 . 11279 1 48 . 1 1 10 10 LEU HD21 H 1 0.692 0.030 . 1 . . . . 10 LEU HD2 . 11279 1 49 . 1 1 10 10 LEU HD22 H 1 0.692 0.030 . 1 . . . . 10 LEU HD2 . 11279 1 50 . 1 1 10 10 LEU HD23 H 1 0.692 0.030 . 1 . . . . 10 LEU HD2 . 11279 1 51 . 1 1 10 10 LEU HG H 1 1.453 0.030 . 1 . . . . 10 LEU HG . 11279 1 52 . 1 1 10 10 LEU C C 13 175.460 0.300 . 1 . . . . 10 LEU C . 11279 1 53 . 1 1 10 10 LEU CA C 13 54.356 0.300 . 1 . . . . 10 LEU CA . 11279 1 54 . 1 1 10 10 LEU CB C 13 46.503 0.300 . 1 . . . . 10 LEU CB . 11279 1 55 . 1 1 10 10 LEU CD1 C 13 26.776 0.300 . 2 . . . . 10 LEU CD1 . 11279 1 56 . 1 1 10 10 LEU CD2 C 13 26.776 0.300 . 2 . . . . 10 LEU CD2 . 11279 1 57 . 1 1 10 10 LEU CG C 13 26.505 0.300 . 1 . . . . 10 LEU CG . 11279 1 58 . 1 1 10 10 LEU N N 15 124.441 0.300 . 1 . . . . 10 LEU N . 11279 1 59 . 1 1 11 11 THR H H 1 8.305 0.030 . 1 . . . . 11 THR H . 11279 1 60 . 1 1 11 11 THR HA H 1 5.270 0.030 . 1 . . . . 11 THR HA . 11279 1 61 . 1 1 11 11 THR HB H 1 3.891 0.030 . 1 . . . . 11 THR HB . 11279 1 62 . 1 1 11 11 THR HG21 H 1 1.149 0.030 . 1 . . . . 11 THR HG2 . 11279 1 63 . 1 1 11 11 THR HG22 H 1 1.149 0.030 . 1 . . . . 11 THR HG2 . 11279 1 64 . 1 1 11 11 THR HG23 H 1 1.149 0.030 . 1 . . . . 11 THR HG2 . 11279 1 65 . 1 1 11 11 THR C C 13 173.061 0.300 . 1 . . . . 11 THR C . 11279 1 66 . 1 1 11 11 THR CA C 13 61.469 0.300 . 1 . . . . 11 THR CA . 11279 1 67 . 1 1 11 11 THR CB C 13 71.569 0.300 . 1 . . . . 11 THR CB . 11279 1 68 . 1 1 11 11 THR CG2 C 13 21.735 0.300 . 1 . . . . 11 THR CG2 . 11279 1 69 . 1 1 11 11 THR N N 15 117.626 0.300 . 1 . . . . 11 THR N . 11279 1 70 . 1 1 12 12 VAL H H 1 8.903 0.030 . 1 . . . . 12 VAL H . 11279 1 71 . 1 1 12 12 VAL HA H 1 4.526 0.030 . 1 . . . . 12 VAL HA . 11279 1 72 . 1 1 12 12 VAL HB H 1 2.000 0.030 . 1 . . . . 12 VAL HB . 11279 1 73 . 1 1 12 12 VAL HG11 H 1 0.647 0.030 . 1 . . . . 12 VAL HG1 . 11279 1 74 . 1 1 12 12 VAL HG12 H 1 0.647 0.030 . 1 . . . . 12 VAL HG1 . 11279 1 75 . 1 1 12 12 VAL HG13 H 1 0.647 0.030 . 1 . . . . 12 VAL HG1 . 11279 1 76 . 1 1 12 12 VAL HG21 H 1 0.682 0.030 . 1 . . . . 12 VAL HG2 . 11279 1 77 . 1 1 12 12 VAL HG22 H 1 0.682 0.030 . 1 . . . . 12 VAL HG2 . 11279 1 78 . 1 1 12 12 VAL HG23 H 1 0.682 0.030 . 1 . . . . 12 VAL HG2 . 11279 1 79 . 1 1 12 12 VAL C C 13 173.716 0.300 . 1 . . . . 12 VAL C . 11279 1 80 . 1 1 12 12 VAL CA C 13 61.393 0.300 . 1 . . . . 12 VAL CA . 11279 1 81 . 1 1 12 12 VAL CB C 13 33.579 0.300 . 1 . . . . 12 VAL CB . 11279 1 82 . 1 1 12 12 VAL CG1 C 13 22.151 0.300 . 2 . . . . 12 VAL CG1 . 11279 1 83 . 1 1 12 12 VAL CG2 C 13 20.749 0.300 . 2 . . . . 12 VAL CG2 . 11279 1 84 . 1 1 12 12 VAL N N 15 125.447 0.300 . 1 . . . . 12 VAL N . 11279 1 85 . 1 1 13 13 LYS H H 1 8.754 0.030 . 1 . . . . 13 LYS H . 11279 1 86 . 1 1 13 13 LYS HA H 1 4.857 0.030 . 1 . . . . 13 LYS HA . 11279 1 87 . 1 1 13 13 LYS HB2 H 1 1.696 0.030 . 2 . . . . 13 LYS HB2 . 11279 1 88 . 1 1 13 13 LYS HB3 H 1 1.947 0.030 . 2 . . . . 13 LYS HB3 . 11279 1 89 . 1 1 13 13 LYS HD2 H 1 1.636 0.030 . 2 . . . . 13 LYS HD2 . 11279 1 90 . 1 1 13 13 LYS HE2 H 1 2.953 0.030 . 2 . . . . 13 LYS HE2 . 11279 1 91 . 1 1 13 13 LYS HG2 H 1 1.346 0.030 . 2 . . . . 13 LYS HG2 . 11279 1 92 . 1 1 13 13 LYS HG3 H 1 1.430 0.030 . 2 . . . . 13 LYS HG3 . 11279 1 93 . 1 1 13 13 LYS C C 13 175.242 0.300 . 1 . . . . 13 LYS C . 11279 1 94 . 1 1 13 13 LYS CA C 13 54.919 0.300 . 1 . . . . 13 LYS CA . 11279 1 95 . 1 1 13 13 LYS CB C 13 35.176 0.300 . 1 . . . . 13 LYS CB . 11279 1 96 . 1 1 13 13 LYS CD C 13 29.465 0.300 . 1 . . . . 13 LYS CD . 11279 1 97 . 1 1 13 13 LYS CE C 13 42.129 0.300 . 1 . . . . 13 LYS CE . 11279 1 98 . 1 1 13 13 LYS CG C 13 24.860 0.300 . 1 . . . . 13 LYS CG . 11279 1 99 . 1 1 13 13 LYS N N 15 126.919 0.300 . 1 . . . . 13 LYS N . 11279 1 100 . 1 1 14 14 ALA H H 1 9.003 0.030 . 1 . . . . 14 ALA H . 11279 1 101 . 1 1 14 14 ALA HA H 1 5.040 0.030 . 1 . . . . 14 ALA HA . 11279 1 102 . 1 1 14 14 ALA HB1 H 1 1.451 0.030 . 1 . . . . 14 ALA HB . 11279 1 103 . 1 1 14 14 ALA HB2 H 1 1.451 0.030 . 1 . . . . 14 ALA HB . 11279 1 104 . 1 1 14 14 ALA HB3 H 1 1.451 0.030 . 1 . . . . 14 ALA HB . 11279 1 105 . 1 1 14 14 ALA C C 13 177.107 0.300 . 1 . . . . 14 ALA C . 11279 1 106 . 1 1 14 14 ALA CA C 13 50.591 0.300 . 1 . . . . 14 ALA CA . 11279 1 107 . 1 1 14 14 ALA CB C 13 20.428 0.300 . 1 . . . . 14 ALA CB . 11279 1 108 . 1 1 14 14 ALA N N 15 130.432 0.300 . 1 . . . . 14 ALA N . 11279 1 109 . 1 1 15 15 LEU H H 1 8.260 0.030 . 1 . . . . 15 LEU H . 11279 1 110 . 1 1 15 15 LEU HA H 1 4.258 0.030 . 1 . . . . 15 LEU HA . 11279 1 111 . 1 1 15 15 LEU HB2 H 1 1.693 0.030 . 2 . . . . 15 LEU HB2 . 11279 1 112 . 1 1 15 15 LEU HB3 H 1 1.808 0.030 . 2 . . . . 15 LEU HB3 . 11279 1 113 . 1 1 15 15 LEU HD11 H 1 0.997 0.030 . 1 . . . . 15 LEU HD1 . 11279 1 114 . 1 1 15 15 LEU HD12 H 1 0.997 0.030 . 1 . . . . 15 LEU HD1 . 11279 1 115 . 1 1 15 15 LEU HD13 H 1 0.997 0.030 . 1 . . . . 15 LEU HD1 . 11279 1 116 . 1 1 15 15 LEU HD21 H 1 0.958 0.030 . 1 . . . . 15 LEU HD2 . 11279 1 117 . 1 1 15 15 LEU HD22 H 1 0.958 0.030 . 1 . . . . 15 LEU HD2 . 11279 1 118 . 1 1 15 15 LEU HD23 H 1 0.958 0.030 . 1 . . . . 15 LEU HD2 . 11279 1 119 . 1 1 15 15 LEU HG H 1 1.778 0.030 . 1 . . . . 15 LEU HG . 11279 1 120 . 1 1 15 15 LEU C C 13 178.077 0.300 . 1 . . . . 15 LEU C . 11279 1 121 . 1 1 15 15 LEU CA C 13 56.783 0.300 . 1 . . . . 15 LEU CA . 11279 1 122 . 1 1 15 15 LEU CB C 13 42.129 0.300 . 1 . . . . 15 LEU CB . 11279 1 123 . 1 1 15 15 LEU CD1 C 13 25.025 0.300 . 2 . . . . 15 LEU CD1 . 11279 1 124 . 1 1 15 15 LEU CD2 C 13 23.718 0.300 . 2 . . . . 15 LEU CD2 . 11279 1 125 . 1 1 15 15 LEU CG C 13 27.230 0.300 . 1 . . . . 15 LEU CG . 11279 1 126 . 1 1 15 15 LEU N N 15 121.778 0.300 . 1 . . . . 15 LEU N . 11279 1 127 . 1 1 16 16 GLN H H 1 8.731 0.030 . 1 . . . . 16 GLN H . 11279 1 128 . 1 1 16 16 GLN HA H 1 4.136 0.030 . 1 . . . . 16 GLN HA . 11279 1 129 . 1 1 16 16 GLN HB2 H 1 2.149 0.030 . 2 . . . . 16 GLN HB2 . 11279 1 130 . 1 1 16 16 GLN HB3 H 1 2.316 0.030 . 2 . . . . 16 GLN HB3 . 11279 1 131 . 1 1 16 16 GLN HE21 H 1 7.411 0.030 . 2 . . . . 16 GLN HE21 . 11279 1 132 . 1 1 16 16 GLN HE22 H 1 6.806 0.030 . 2 . . . . 16 GLN HE22 . 11279 1 133 . 1 1 16 16 GLN HG2 H 1 2.383 0.030 . 2 . . . . 16 GLN HG2 . 11279 1 134 . 1 1 16 16 GLN C C 13 176.381 0.300 . 1 . . . . 16 GLN C . 11279 1 135 . 1 1 16 16 GLN CA C 13 56.713 0.300 . 1 . . . . 16 GLN CA . 11279 1 136 . 1 1 16 16 GLN CB C 13 27.409 0.300 . 1 . . . . 16 GLN CB . 11279 1 137 . 1 1 16 16 GLN CG C 13 34.399 0.300 . 1 . . . . 16 GLN CG . 11279 1 138 . 1 1 16 16 GLN N N 15 115.616 0.300 . 1 . . . . 16 GLN N . 11279 1 139 . 1 1 16 16 GLN NE2 N 15 111.396 0.300 . 1 . . . . 16 GLN NE2 . 11279 1 140 . 1 1 17 17 GLY H H 1 8.187 0.030 . 1 . . . . 17 GLY H . 11279 1 141 . 1 1 17 17 GLY HA2 H 1 3.890 0.030 . 2 . . . . 17 GLY HA2 . 11279 1 142 . 1 1 17 17 GLY HA3 H 1 4.084 0.030 . 2 . . . . 17 GLY HA3 . 11279 1 143 . 1 1 17 17 GLY C C 13 174.321 0.300 . 1 . . . . 17 GLY C . 11279 1 144 . 1 1 17 17 GLY CA C 13 45.770 0.300 . 1 . . . . 17 GLY CA . 11279 1 145 . 1 1 17 17 GLY N N 15 106.750 0.300 . 1 . . . . 17 GLY N . 11279 1 146 . 1 1 18 18 ARG H H 1 7.688 0.030 . 1 . . . . 18 ARG H . 11279 1 147 . 1 1 18 18 ARG HA H 1 4.437 0.030 . 1 . . . . 18 ARG HA . 11279 1 148 . 1 1 18 18 ARG HB2 H 1 1.791 0.030 . 1 . . . . 18 ARG HB2 . 11279 1 149 . 1 1 18 18 ARG HB3 H 1 1.791 0.030 . 1 . . . . 18 ARG HB3 . 11279 1 150 . 1 1 18 18 ARG HD2 H 1 3.231 0.030 . 1 . . . . 18 ARG HD2 . 11279 1 151 . 1 1 18 18 ARG HD3 H 1 3.231 0.030 . 1 . . . . 18 ARG HD3 . 11279 1 152 . 1 1 18 18 ARG HG2 H 1 1.659 0.030 . 2 . . . . 18 ARG HG2 . 11279 1 153 . 1 1 18 18 ARG HG3 H 1 1.748 0.030 . 2 . . . . 18 ARG HG3 . 11279 1 154 . 1 1 18 18 ARG C C 13 174.467 0.300 . 1 . . . . 18 ARG C . 11279 1 155 . 1 1 18 18 ARG CA C 13 56.291 0.300 . 1 . . . . 18 ARG CA . 11279 1 156 . 1 1 18 18 ARG CB C 13 31.603 0.300 . 1 . . . . 18 ARG CB . 11279 1 157 . 1 1 18 18 ARG CD C 13 43.610 0.300 . 1 . . . . 18 ARG CD . 11279 1 158 . 1 1 18 18 ARG CG C 13 27.457 0.300 . 1 . . . . 18 ARG CG . 11279 1 159 . 1 1 18 18 ARG N N 15 121.122 0.300 . 1 . . . . 18 ARG N . 11279 1 160 . 1 1 19 19 GLU H H 1 8.417 0.030 . 1 . . . . 19 GLU H . 11279 1 161 . 1 1 19 19 GLU HA H 1 5.427 0.030 . 1 . . . . 19 GLU HA . 11279 1 162 . 1 1 19 19 GLU HB2 H 1 2.050 0.030 . 2 . . . . 19 GLU HB2 . 11279 1 163 . 1 1 19 19 GLU HB3 H 1 1.929 0.030 . 2 . . . . 19 GLU HB3 . 11279 1 164 . 1 1 19 19 GLU HG2 H 1 2.062 0.030 . 2 . . . . 19 GLU HG2 . 11279 1 165 . 1 1 19 19 GLU HG3 H 1 2.135 0.030 . 2 . . . . 19 GLU HG3 . 11279 1 166 . 1 1 19 19 GLU C C 13 175.097 0.300 . 1 . . . . 19 GLU C . 11279 1 167 . 1 1 19 19 GLU CA C 13 54.567 0.300 . 1 . . . . 19 GLU CA . 11279 1 168 . 1 1 19 19 GLU CB C 13 33.805 0.300 . 1 . . . . 19 GLU CB . 11279 1 169 . 1 1 19 19 GLU CG C 13 35.797 0.300 . 1 . . . . 19 GLU CG . 11279 1 170 . 1 1 19 19 GLU N N 15 119.144 0.300 . 1 . . . . 19 GLU N . 11279 1 171 . 1 1 20 20 CYS H H 1 8.962 0.030 . 1 . . . . 20 CYS H . 11279 1 172 . 1 1 20 20 CYS HA H 1 5.081 0.030 . 1 . . . . 20 CYS HA . 11279 1 173 . 1 1 20 20 CYS HB2 H 1 2.782 0.030 . 2 . . . . 20 CYS HB2 . 11279 1 174 . 1 1 20 20 CYS HB3 H 1 2.947 0.030 . 2 . . . . 20 CYS HB3 . 11279 1 175 . 1 1 20 20 CYS C C 13 171.680 0.300 . 1 . . . . 20 CYS C . 11279 1 176 . 1 1 20 20 CYS CA C 13 55.869 0.300 . 1 . . . . 20 CYS CA . 11279 1 177 . 1 1 20 20 CYS CB C 13 31.538 0.300 . 1 . . . . 20 CYS CB . 11279 1 178 . 1 1 20 20 CYS N N 15 116.008 0.300 . 1 . . . . 20 CYS N . 11279 1 179 . 1 1 21 21 SER H H 1 8.653 0.030 . 1 . . . . 21 SER H . 11279 1 180 . 1 1 21 21 SER HA H 1 5.349 0.030 . 1 . . . . 21 SER HA . 11279 1 181 . 1 1 21 21 SER HB2 H 1 3.720 0.030 . 2 . . . . 21 SER HB2 . 11279 1 182 . 1 1 21 21 SER HB3 H 1 3.805 0.030 . 2 . . . . 21 SER HB3 . 11279 1 183 . 1 1 21 21 SER C C 13 173.304 0.300 . 1 . . . . 21 SER C . 11279 1 184 . 1 1 21 21 SER CA C 13 56.959 0.300 . 1 . . . . 21 SER CA . 11279 1 185 . 1 1 21 21 SER CB C 13 64.466 0.300 . 1 . . . . 21 SER CB . 11279 1 186 . 1 1 21 21 SER N N 15 117.964 0.300 . 1 . . . . 21 SER N . 11279 1 187 . 1 1 22 22 LEU H H 1 9.066 0.030 . 1 . . . . 22 LEU H . 11279 1 188 . 1 1 22 22 LEU HA H 1 4.768 0.030 . 1 . . . . 22 LEU HA . 11279 1 189 . 1 1 22 22 LEU HB2 H 1 1.446 0.030 . 2 . . . . 22 LEU HB2 . 11279 1 190 . 1 1 22 22 LEU HB3 H 1 1.483 0.030 . 2 . . . . 22 LEU HB3 . 11279 1 191 . 1 1 22 22 LEU HD11 H 1 0.692 0.030 . 1 . . . . 22 LEU HD1 . 11279 1 192 . 1 1 22 22 LEU HD12 H 1 0.692 0.030 . 1 . . . . 22 LEU HD1 . 11279 1 193 . 1 1 22 22 LEU HD13 H 1 0.692 0.030 . 1 . . . . 22 LEU HD1 . 11279 1 194 . 1 1 22 22 LEU HD21 H 1 0.838 0.030 . 1 . . . . 22 LEU HD2 . 11279 1 195 . 1 1 22 22 LEU HD22 H 1 0.838 0.030 . 1 . . . . 22 LEU HD2 . 11279 1 196 . 1 1 22 22 LEU HD23 H 1 0.838 0.030 . 1 . . . . 22 LEU HD2 . 11279 1 197 . 1 1 22 22 LEU HG H 1 1.493 0.030 . 1 . . . . 22 LEU HG . 11279 1 198 . 1 1 22 22 LEU C C 13 174.418 0.300 . 1 . . . . 22 LEU C . 11279 1 199 . 1 1 22 22 LEU CA C 13 53.546 0.300 . 1 . . . . 22 LEU CA . 11279 1 200 . 1 1 22 22 LEU CB C 13 46.323 0.300 . 1 . . . . 22 LEU CB . 11279 1 201 . 1 1 22 22 LEU CD1 C 13 26.997 0.300 . 2 . . . . 22 LEU CD1 . 11279 1 202 . 1 1 22 22 LEU CD2 C 13 24.942 0.300 . 2 . . . . 22 LEU CD2 . 11279 1 203 . 1 1 22 22 LEU CG C 13 27.245 0.300 . 1 . . . . 22 LEU CG . 11279 1 204 . 1 1 22 22 LEU N N 15 124.883 0.300 . 1 . . . . 22 LEU N . 11279 1 205 . 1 1 23 23 GLN H H 1 8.221 0.030 . 1 . . . . 23 GLN H . 11279 1 206 . 1 1 23 23 GLN HA H 1 5.210 0.030 . 1 . . . . 23 GLN HA . 11279 1 207 . 1 1 23 23 GLN HB2 H 1 1.866 0.030 . 1 . . . . 23 GLN HB2 . 11279 1 208 . 1 1 23 23 GLN HB3 H 1 1.866 0.030 . 1 . . . . 23 GLN HB3 . 11279 1 209 . 1 1 23 23 GLN HE21 H 1 7.249 0.030 . 2 . . . . 23 GLN HE21 . 11279 1 210 . 1 1 23 23 GLN HE22 H 1 6.634 0.030 . 2 . . . . 23 GLN HE22 . 11279 1 211 . 1 1 23 23 GLN HG2 H 1 2.085 0.030 . 2 . . . . 23 GLN HG2 . 11279 1 212 . 1 1 23 23 GLN HG3 H 1 2.137 0.030 . 2 . . . . 23 GLN HG3 . 11279 1 213 . 1 1 23 23 GLN C C 13 175.678 0.300 . 1 . . . . 23 GLN C . 11279 1 214 . 1 1 23 23 GLN CA C 13 54.532 0.300 . 1 . . . . 23 GLN CA . 11279 1 215 . 1 1 23 23 GLN CB C 13 29.794 0.300 . 1 . . . . 23 GLN CB . 11279 1 216 . 1 1 23 23 GLN CG C 13 33.579 0.300 . 1 . . . . 23 GLN CG . 11279 1 217 . 1 1 23 23 GLN N N 15 121.223 0.300 . 1 . . . . 23 GLN N . 11279 1 218 . 1 1 23 23 GLN NE2 N 15 110.292 0.300 . 1 . . . . 23 GLN NE2 . 11279 1 219 . 1 1 24 24 VAL H H 1 8.807 0.030 . 1 . . . . 24 VAL H . 11279 1 220 . 1 1 24 24 VAL HA H 1 4.977 0.030 . 1 . . . . 24 VAL HA . 11279 1 221 . 1 1 24 24 VAL HB H 1 2.095 0.030 . 1 . . . . 24 VAL HB . 11279 1 222 . 1 1 24 24 VAL HG11 H 1 0.816 0.030 . 1 . . . . 24 VAL HG1 . 11279 1 223 . 1 1 24 24 VAL HG12 H 1 0.816 0.030 . 1 . . . . 24 VAL HG1 . 11279 1 224 . 1 1 24 24 VAL HG13 H 1 0.816 0.030 . 1 . . . . 24 VAL HG1 . 11279 1 225 . 1 1 24 24 VAL HG21 H 1 0.658 0.030 . 1 . . . . 24 VAL HG2 . 11279 1 226 . 1 1 24 24 VAL HG22 H 1 0.658 0.030 . 1 . . . . 24 VAL HG2 . 11279 1 227 . 1 1 24 24 VAL HG23 H 1 0.658 0.030 . 1 . . . . 24 VAL HG2 . 11279 1 228 . 1 1 24 24 VAL C C 13 172.649 0.300 . 1 . . . . 24 VAL C . 11279 1 229 . 1 1 24 24 VAL CA C 13 57.428 0.300 . 1 . . . . 24 VAL CA . 11279 1 230 . 1 1 24 24 VAL CB C 13 34.711 0.300 . 1 . . . . 24 VAL CB . 11279 1 231 . 1 1 24 24 VAL CG1 C 13 22.922 0.300 . 2 . . . . 24 VAL CG1 . 11279 1 232 . 1 1 24 24 VAL CG2 C 13 18.898 0.300 . 2 . . . . 24 VAL CG2 . 11279 1 233 . 1 1 24 24 VAL N N 15 118.278 0.300 . 1 . . . . 24 VAL N . 11279 1 234 . 1 1 25 25 PRO HA H 1 4.513 0.030 . 1 . . . . 25 PRO HA . 11279 1 235 . 1 1 25 25 PRO HB2 H 1 1.854 0.030 . 2 . . . . 25 PRO HB2 . 11279 1 236 . 1 1 25 25 PRO HB3 H 1 2.423 0.030 . 2 . . . . 25 PRO HB3 . 11279 1 237 . 1 1 25 25 PRO HD2 H 1 3.861 0.030 . 2 . . . . 25 PRO HD2 . 11279 1 238 . 1 1 25 25 PRO HD3 H 1 3.802 0.030 . 2 . . . . 25 PRO HD3 . 11279 1 239 . 1 1 25 25 PRO HG2 H 1 2.097 0.030 . 2 . . . . 25 PRO HG2 . 11279 1 240 . 1 1 25 25 PRO HG3 H 1 2.013 0.030 . 2 . . . . 25 PRO HG3 . 11279 1 241 . 1 1 25 25 PRO C C 13 177.156 0.300 . 1 . . . . 25 PRO C . 11279 1 242 . 1 1 25 25 PRO CA C 13 63.152 0.300 . 1 . . . . 25 PRO CA . 11279 1 243 . 1 1 25 25 PRO CB C 13 32.615 0.300 . 1 . . . . 25 PRO CB . 11279 1 244 . 1 1 25 25 PRO CD C 13 50.846 0.300 . 1 . . . . 25 PRO CD . 11279 1 245 . 1 1 25 25 PRO CG C 13 27.903 0.300 . 1 . . . . 25 PRO CG . 11279 1 246 . 1 1 26 26 GLU H H 1 8.947 0.030 . 1 . . . . 26 GLU H . 11279 1 247 . 1 1 26 26 GLU HA H 1 4.030 0.030 . 1 . . . . 26 GLU HA . 11279 1 248 . 1 1 26 26 GLU HB2 H 1 2.009 0.030 . 1 . . . . 26 GLU HB2 . 11279 1 249 . 1 1 26 26 GLU HB3 H 1 2.009 0.030 . 1 . . . . 26 GLU HB3 . 11279 1 250 . 1 1 26 26 GLU HG2 H 1 2.316 0.030 . 2 . . . . 26 GLU HG2 . 11279 1 251 . 1 1 26 26 GLU HG3 H 1 2.440 0.030 . 2 . . . . 26 GLU HG3 . 11279 1 252 . 1 1 26 26 GLU C C 13 175.411 0.300 . 1 . . . . 26 GLU C . 11279 1 253 . 1 1 26 26 GLU CA C 13 58.930 0.300 . 1 . . . . 26 GLU CA . 11279 1 254 . 1 1 26 26 GLU CB C 13 29.712 0.300 . 1 . . . . 26 GLU CB . 11279 1 255 . 1 1 26 26 GLU CG C 13 36.578 0.300 . 1 . . . . 26 GLU CG . 11279 1 256 . 1 1 26 26 GLU N N 15 119.682 0.300 . 1 . . . . 26 GLU N . 11279 1 257 . 1 1 27 27 ASP H H 1 8.001 0.030 . 1 . . . . 27 ASP H . 11279 1 258 . 1 1 27 27 ASP HA H 1 4.764 0.030 . 1 . . . . 27 ASP HA . 11279 1 259 . 1 1 27 27 ASP HB2 H 1 2.549 0.030 . 2 . . . . 27 ASP HB2 . 11279 1 260 . 1 1 27 27 ASP HB3 H 1 2.888 0.030 . 2 . . . . 27 ASP HB3 . 11279 1 261 . 1 1 27 27 ASP C C 13 175.630 0.300 . 1 . . . . 27 ASP C . 11279 1 262 . 1 1 27 27 ASP CA C 13 51.400 0.300 . 1 . . . . 27 ASP CA . 11279 1 263 . 1 1 27 27 ASP CB C 13 40.343 0.300 . 1 . . . . 27 ASP CB . 11279 1 264 . 1 1 27 27 ASP N N 15 113.666 0.300 . 1 . . . . 27 ASP N . 11279 1 265 . 1 1 28 28 GLU H H 1 7.240 0.030 . 1 . . . . 28 GLU H . 11279 1 266 . 1 1 28 28 GLU HA H 1 4.232 0.030 . 1 . . . . 28 GLU HA . 11279 1 267 . 1 1 28 28 GLU HB2 H 1 1.638 0.030 . 2 . . . . 28 GLU HB2 . 11279 1 268 . 1 1 28 28 GLU HB3 H 1 2.294 0.030 . 2 . . . . 28 GLU HB3 . 11279 1 269 . 1 1 28 28 GLU HG2 H 1 2.057 0.030 . 2 . . . . 28 GLU HG2 . 11279 1 270 . 1 1 28 28 GLU HG3 H 1 2.962 0.030 . 2 . . . . 28 GLU HG3 . 11279 1 271 . 1 1 28 28 GLU C C 13 175.508 0.300 . 1 . . . . 28 GLU C . 11279 1 272 . 1 1 28 28 GLU CA C 13 56.115 0.300 . 1 . . . . 28 GLU CA . 11279 1 273 . 1 1 28 28 GLU CB C 13 30.617 0.300 . 1 . . . . 28 GLU CB . 11279 1 274 . 1 1 28 28 GLU CG C 13 35.862 0.300 . 1 . . . . 28 GLU CG . 11279 1 275 . 1 1 28 28 GLU N N 15 118.232 0.300 . 1 . . . . 28 GLU N . 11279 1 276 . 1 1 29 29 LEU H H 1 9.720 0.030 . 1 . . . . 29 LEU H . 11279 1 277 . 1 1 29 29 LEU HA H 1 4.554 0.030 . 1 . . . . 29 LEU HA . 11279 1 278 . 1 1 29 29 LEU HB2 H 1 1.868 0.030 . 1 . . . . 29 LEU HB2 . 11279 1 279 . 1 1 29 29 LEU HB3 H 1 1.868 0.030 . 1 . . . . 29 LEU HB3 . 11279 1 280 . 1 1 29 29 LEU HD11 H 1 0.989 0.030 . 1 . . . . 29 LEU HD1 . 11279 1 281 . 1 1 29 29 LEU HD12 H 1 0.989 0.030 . 1 . . . . 29 LEU HD1 . 11279 1 282 . 1 1 29 29 LEU HD13 H 1 0.989 0.030 . 1 . . . . 29 LEU HD1 . 11279 1 283 . 1 1 29 29 LEU HD21 H 1 0.892 0.030 . 1 . . . . 29 LEU HD2 . 11279 1 284 . 1 1 29 29 LEU HD22 H 1 0.892 0.030 . 1 . . . . 29 LEU HD2 . 11279 1 285 . 1 1 29 29 LEU HD23 H 1 0.892 0.030 . 1 . . . . 29 LEU HD2 . 11279 1 286 . 1 1 29 29 LEU HG H 1 1.850 0.030 . 1 . . . . 29 LEU HG . 11279 1 287 . 1 1 29 29 LEU C C 13 179.167 0.300 . 1 . . . . 29 LEU C . 11279 1 288 . 1 1 29 29 LEU CA C 13 55.376 0.300 . 1 . . . . 29 LEU CA . 11279 1 289 . 1 1 29 29 LEU CB C 13 43.328 0.300 . 1 . . . . 29 LEU CB . 11279 1 290 . 1 1 29 29 LEU CD1 C 13 25.600 0.300 . 2 . . . . 29 LEU CD1 . 11279 1 291 . 1 1 29 29 LEU CD2 C 13 23.873 0.300 . 2 . . . . 29 LEU CD2 . 11279 1 292 . 1 1 29 29 LEU CG C 13 27.608 0.300 . 1 . . . . 29 LEU CG . 11279 1 293 . 1 1 29 29 LEU N N 15 126.202 0.300 . 1 . . . . 29 LEU N . 11279 1 294 . 1 1 30 30 VAL H H 1 9.097 0.030 . 1 . . . . 30 VAL H . 11279 1 295 . 1 1 30 30 VAL HA H 1 3.349 0.030 . 1 . . . . 30 VAL HA . 11279 1 296 . 1 1 30 30 VAL HB H 1 2.420 0.030 . 1 . . . . 30 VAL HB . 11279 1 297 . 1 1 30 30 VAL HG11 H 1 0.670 0.030 . 1 . . . . 30 VAL HG1 . 11279 1 298 . 1 1 30 30 VAL HG12 H 1 0.670 0.030 . 1 . . . . 30 VAL HG1 . 11279 1 299 . 1 1 30 30 VAL HG13 H 1 0.670 0.030 . 1 . . . . 30 VAL HG1 . 11279 1 300 . 1 1 30 30 VAL HG21 H 1 0.890 0.030 . 1 . . . . 30 VAL HG2 . 11279 1 301 . 1 1 30 30 VAL HG22 H 1 0.890 0.030 . 1 . . . . 30 VAL HG2 . 11279 1 302 . 1 1 30 30 VAL HG23 H 1 0.890 0.030 . 1 . . . . 30 VAL HG2 . 11279 1 303 . 1 1 30 30 VAL C C 13 178.125 0.300 . 1 . . . . 30 VAL C . 11279 1 304 . 1 1 30 30 VAL CA C 13 67.163 0.300 . 1 . . . . 30 VAL CA . 11279 1 305 . 1 1 30 30 VAL CB C 13 31.357 0.300 . 1 . . . . 30 VAL CB . 11279 1 306 . 1 1 30 30 VAL CG1 C 13 21.324 0.300 . 2 . . . . 30 VAL CG1 . 11279 1 307 . 1 1 30 30 VAL CG2 C 13 23.829 0.300 . 2 . . . . 30 VAL CG2 . 11279 1 308 . 1 1 30 30 VAL N N 15 125.259 0.300 . 1 . . . . 30 VAL N . 11279 1 309 . 1 1 31 31 SER H H 1 8.904 0.030 . 1 . . . . 31 SER H . 11279 1 310 . 1 1 31 31 SER HA H 1 3.933 0.030 . 1 . . . . 31 SER HA . 11279 1 311 . 1 1 31 31 SER HB2 H 1 3.914 0.030 . 1 . . . . 31 SER HB2 . 11279 1 312 . 1 1 31 31 SER HB3 H 1 3.914 0.030 . 1 . . . . 31 SER HB3 . 11279 1 313 . 1 1 31 31 SER C C 13 177.398 0.300 . 1 . . . . 31 SER C . 11279 1 314 . 1 1 31 31 SER CA C 13 61.619 0.300 . 1 . . . . 31 SER CA . 11279 1 315 . 1 1 31 31 SER CB C 13 67.211 0.300 . 1 . . . . 31 SER CB . 11279 1 316 . 1 1 31 31 SER N N 15 113.860 0.300 . 1 . . . . 31 SER N . 11279 1 317 . 1 1 32 32 THR H H 1 6.990 0.030 . 1 . . . . 32 THR H . 11279 1 318 . 1 1 32 32 THR HA H 1 4.047 0.030 . 1 . . . . 32 THR HA . 11279 1 319 . 1 1 32 32 THR HB H 1 4.375 0.030 . 1 . . . . 32 THR HB . 11279 1 320 . 1 1 32 32 THR HG21 H 1 1.205 0.030 . 1 . . . . 32 THR HG2 . 11279 1 321 . 1 1 32 32 THR HG22 H 1 1.205 0.030 . 1 . . . . 32 THR HG2 . 11279 1 322 . 1 1 32 32 THR HG23 H 1 1.205 0.030 . 1 . . . . 32 THR HG2 . 11279 1 323 . 1 1 32 32 THR C C 13 175.654 0.300 . 1 . . . . 32 THR C . 11279 1 324 . 1 1 32 32 THR CA C 13 65.826 0.300 . 1 . . . . 32 THR CA . 11279 1 325 . 1 1 32 32 THR CB C 13 68.115 0.300 . 1 . . . . 32 THR CB . 11279 1 326 . 1 1 32 32 THR CG2 C 13 22.475 0.300 . 1 . . . . 32 THR CG2 . 11279 1 327 . 1 1 32 32 THR N N 15 121.214 0.300 . 1 . . . . 32 THR N . 11279 1 328 . 1 1 33 33 LEU H H 1 7.985 0.030 . 1 . . . . 33 LEU H . 11279 1 329 . 1 1 33 33 LEU HA H 1 3.962 0.030 . 1 . . . . 33 LEU HA . 11279 1 330 . 1 1 33 33 LEU HB2 H 1 1.342 0.030 . 2 . . . . 33 LEU HB2 . 11279 1 331 . 1 1 33 33 LEU HB3 H 1 2.024 0.030 . 2 . . . . 33 LEU HB3 . 11279 1 332 . 1 1 33 33 LEU HD11 H 1 0.764 0.030 . 1 . . . . 33 LEU HD1 . 11279 1 333 . 1 1 33 33 LEU HD12 H 1 0.764 0.030 . 1 . . . . 33 LEU HD1 . 11279 1 334 . 1 1 33 33 LEU HD13 H 1 0.764 0.030 . 1 . . . . 33 LEU HD1 . 11279 1 335 . 1 1 33 33 LEU HD21 H 1 0.769 0.030 . 1 . . . . 33 LEU HD2 . 11279 1 336 . 1 1 33 33 LEU HD22 H 1 0.769 0.030 . 1 . . . . 33 LEU HD2 . 11279 1 337 . 1 1 33 33 LEU HD23 H 1 0.769 0.030 . 1 . . . . 33 LEU HD2 . 11279 1 338 . 1 1 33 33 LEU HG H 1 1.463 0.030 . 1 . . . . 33 LEU HG . 11279 1 339 . 1 1 33 33 LEU C C 13 178.173 0.300 . 1 . . . . 33 LEU C . 11279 1 340 . 1 1 33 33 LEU CA C 13 58.578 0.300 . 1 . . . . 33 LEU CA . 11279 1 341 . 1 1 33 33 LEU CB C 13 41.301 0.300 . 1 . . . . 33 LEU CB . 11279 1 342 . 1 1 33 33 LEU CD1 C 13 27.230 0.300 . 2 . . . . 33 LEU CD1 . 11279 1 343 . 1 1 33 33 LEU CD2 C 13 24.962 0.300 . 2 . . . . 33 LEU CD2 . 11279 1 344 . 1 1 33 33 LEU CG C 13 27.081 0.300 . 1 . . . . 33 LEU CG . 11279 1 345 . 1 1 33 33 LEU N N 15 123.327 0.300 . 1 . . . . 33 LEU N . 11279 1 346 . 1 1 34 34 LYS H H 1 8.415 0.030 . 1 . . . . 34 LYS H . 11279 1 347 . 1 1 34 34 LYS HA H 1 4.358 0.030 . 1 . . . . 34 LYS HA . 11279 1 348 . 1 1 34 34 LYS HB2 H 1 1.592 0.030 . 2 . . . . 34 LYS HB2 . 11279 1 349 . 1 1 34 34 LYS HB3 H 1 1.900 0.030 . 2 . . . . 34 LYS HB3 . 11279 1 350 . 1 1 34 34 LYS HD2 H 1 1.580 0.030 . 2 . . . . 34 LYS HD2 . 11279 1 351 . 1 1 34 34 LYS HD3 H 1 1.727 0.030 . 2 . . . . 34 LYS HD3 . 11279 1 352 . 1 1 34 34 LYS HE2 H 1 2.501 0.030 . 2 . . . . 34 LYS HE2 . 11279 1 353 . 1 1 34 34 LYS HE3 H 1 2.648 0.030 . 2 . . . . 34 LYS HE3 . 11279 1 354 . 1 1 34 34 LYS HG2 H 1 1.457 0.030 . 2 . . . . 34 LYS HG2 . 11279 1 355 . 1 1 34 34 LYS HG3 H 1 1.528 0.030 . 2 . . . . 34 LYS HG3 . 11279 1 356 . 1 1 34 34 LYS C C 13 179.700 0.300 . 1 . . . . 34 LYS C . 11279 1 357 . 1 1 34 34 LYS CA C 13 59.845 0.300 . 1 . . . . 34 LYS CA . 11279 1 358 . 1 1 34 34 LYS CB C 13 33.805 0.300 . 1 . . . . 34 LYS CB . 11279 1 359 . 1 1 34 34 LYS CD C 13 30.452 0.300 . 1 . . . . 34 LYS CD . 11279 1 360 . 1 1 34 34 LYS CE C 13 42.783 0.300 . 1 . . . . 34 LYS CE . 11279 1 361 . 1 1 34 34 LYS CG C 13 27.081 0.300 . 1 . . . . 34 LYS CG . 11279 1 362 . 1 1 34 34 LYS N N 15 115.971 0.300 . 1 . . . . 34 LYS N . 11279 1 363 . 1 1 35 35 GLN H H 1 7.619 0.030 . 1 . . . . 35 GLN H . 11279 1 364 . 1 1 35 35 GLN HA H 1 3.849 0.030 . 1 . . . . 35 GLN HA . 11279 1 365 . 1 1 35 35 GLN HB2 H 1 2.337 0.030 . 2 . . . . 35 GLN HB2 . 11279 1 366 . 1 1 35 35 GLN HB3 H 1 2.370 0.030 . 2 . . . . 35 GLN HB3 . 11279 1 367 . 1 1 35 35 GLN HE21 H 1 6.779 0.030 . 2 . . . . 35 GLN HE21 . 11279 1 368 . 1 1 35 35 GLN HE22 H 1 7.820 0.030 . 2 . . . . 35 GLN HE22 . 11279 1 369 . 1 1 35 35 GLN HG2 H 1 2.475 0.030 . 2 . . . . 35 GLN HG2 . 11279 1 370 . 1 1 35 35 GLN HG3 H 1 2.446 0.030 . 2 . . . . 35 GLN HG3 . 11279 1 371 . 1 1 35 35 GLN C C 13 179.070 0.300 . 1 . . . . 35 GLN C . 11279 1 372 . 1 1 35 35 GLN CA C 13 59.130 0.300 . 1 . . . . 35 GLN CA . 11279 1 373 . 1 1 35 35 GLN CB C 13 27.409 0.300 . 1 . . . . 35 GLN CB . 11279 1 374 . 1 1 35 35 GLN CG C 13 33.166 0.300 . 1 . . . . 35 GLN CG . 11279 1 375 . 1 1 35 35 GLN N N 15 121.231 0.300 . 1 . . . . 35 GLN N . 11279 1 376 . 1 1 35 35 GLN NE2 N 15 112.785 0.300 . 1 . . . . 35 GLN NE2 . 11279 1 377 . 1 1 36 36 LEU H H 1 8.133 0.030 . 1 . . . . 36 LEU H . 11279 1 378 . 1 1 36 36 LEU HA H 1 4.141 0.030 . 1 . . . . 36 LEU HA . 11279 1 379 . 1 1 36 36 LEU HB2 H 1 1.478 0.030 . 2 . . . . 36 LEU HB2 . 11279 1 380 . 1 1 36 36 LEU HB3 H 1 2.059 0.030 . 2 . . . . 36 LEU HB3 . 11279 1 381 . 1 1 36 36 LEU HD11 H 1 0.921 0.030 . 1 . . . . 36 LEU HD1 . 11279 1 382 . 1 1 36 36 LEU HD12 H 1 0.921 0.030 . 1 . . . . 36 LEU HD1 . 11279 1 383 . 1 1 36 36 LEU HD13 H 1 0.921 0.030 . 1 . . . . 36 LEU HD1 . 11279 1 384 . 1 1 36 36 LEU HD21 H 1 0.921 0.030 . 1 . . . . 36 LEU HD2 . 11279 1 385 . 1 1 36 36 LEU HD22 H 1 0.921 0.030 . 1 . . . . 36 LEU HD2 . 11279 1 386 . 1 1 36 36 LEU HD23 H 1 0.921 0.030 . 1 . . . . 36 LEU HD2 . 11279 1 387 . 1 1 36 36 LEU HG H 1 1.890 0.030 . 1 . . . . 36 LEU HG . 11279 1 388 . 1 1 36 36 LEU C C 13 180.257 0.300 . 1 . . . . 36 LEU C . 11279 1 389 . 1 1 36 36 LEU CA C 13 58.226 0.300 . 1 . . . . 36 LEU CA . 11279 1 390 . 1 1 36 36 LEU CB C 13 42.370 0.300 . 1 . . . . 36 LEU CB . 11279 1 391 . 1 1 36 36 LEU CD1 C 13 25.847 0.300 . 2 . . . . 36 LEU CD1 . 11279 1 392 . 1 1 36 36 LEU CD2 C 13 22.722 0.300 . 2 . . . . 36 LEU CD2 . 11279 1 393 . 1 1 36 36 LEU CG C 13 26.669 0.300 . 1 . . . . 36 LEU CG . 11279 1 394 . 1 1 36 36 LEU N N 15 121.590 0.300 . 1 . . . . 36 LEU N . 11279 1 395 . 1 1 37 37 VAL H H 1 8.669 0.030 . 1 . . . . 37 VAL H . 11279 1 396 . 1 1 37 37 VAL HA H 1 3.441 0.030 . 1 . . . . 37 VAL HA . 11279 1 397 . 1 1 37 37 VAL HB H 1 2.467 0.030 . 1 . . . . 37 VAL HB . 11279 1 398 . 1 1 37 37 VAL HG11 H 1 0.751 0.030 . 1 . . . . 37 VAL HG1 . 11279 1 399 . 1 1 37 37 VAL HG12 H 1 0.751 0.030 . 1 . . . . 37 VAL HG1 . 11279 1 400 . 1 1 37 37 VAL HG13 H 1 0.751 0.030 . 1 . . . . 37 VAL HG1 . 11279 1 401 . 1 1 37 37 VAL HG21 H 1 0.899 0.030 . 1 . . . . 37 VAL HG2 . 11279 1 402 . 1 1 37 37 VAL HG22 H 1 0.899 0.030 . 1 . . . . 37 VAL HG2 . 11279 1 403 . 1 1 37 37 VAL HG23 H 1 0.899 0.030 . 1 . . . . 37 VAL HG2 . 11279 1 404 . 1 1 37 37 VAL C C 13 178.101 0.300 . 1 . . . . 37 VAL C . 11279 1 405 . 1 1 37 37 VAL CA C 13 66.671 0.300 . 1 . . . . 37 VAL CA . 11279 1 406 . 1 1 37 37 VAL CB C 13 31.274 0.300 . 1 . . . . 37 VAL CB . 11279 1 407 . 1 1 37 37 VAL CG1 C 13 22.311 0.300 . 2 . . . . 37 VAL CG1 . 11279 1 408 . 1 1 37 37 VAL CG2 C 13 24.702 0.300 . 2 . . . . 37 VAL CG2 . 11279 1 409 . 1 1 37 37 VAL N N 15 119.675 0.300 . 1 . . . . 37 VAL N . 11279 1 410 . 1 1 38 38 SER H H 1 8.506 0.030 . 1 . . . . 38 SER H . 11279 1 411 . 1 1 38 38 SER HA H 1 4.193 0.030 . 1 . . . . 38 SER HA . 11279 1 412 . 1 1 38 38 SER HB2 H 1 4.057 0.030 . 2 . . . . 38 SER HB2 . 11279 1 413 . 1 1 38 38 SER HB3 H 1 3.911 0.030 . 2 . . . . 38 SER HB3 . 11279 1 414 . 1 1 38 38 SER C C 13 177.083 0.300 . 1 . . . . 38 SER C . 11279 1 415 . 1 1 38 38 SER CA C 13 61.604 0.300 . 1 . . . . 38 SER CA . 11279 1 416 . 1 1 38 38 SER CB C 13 63.230 0.300 . 1 . . . . 38 SER CB . 11279 1 417 . 1 1 38 38 SER N N 15 116.861 0.300 . 1 . . . . 38 SER N . 11279 1 418 . 1 1 39 39 GLU H H 1 7.429 0.030 . 1 . . . . 39 GLU H . 11279 1 419 . 1 1 39 39 GLU HA H 1 4.154 0.030 . 1 . . . . 39 GLU HA . 11279 1 420 . 1 1 39 39 GLU HB2 H 1 2.162 0.030 . 2 . . . . 39 GLU HB2 . 11279 1 421 . 1 1 39 39 GLU HB3 H 1 2.204 0.030 . 2 . . . . 39 GLU HB3 . 11279 1 422 . 1 1 39 39 GLU HG2 H 1 2.281 0.030 . 2 . . . . 39 GLU HG2 . 11279 1 423 . 1 1 39 39 GLU HG3 H 1 2.538 0.030 . 2 . . . . 39 GLU HG3 . 11279 1 424 . 1 1 39 39 GLU C C 13 178.173 0.300 . 1 . . . . 39 GLU C . 11279 1 425 . 1 1 39 39 GLU CA C 13 58.332 0.300 . 1 . . . . 39 GLU CA . 11279 1 426 . 1 1 39 39 GLU CB C 13 30.041 0.300 . 1 . . . . 39 GLU CB . 11279 1 427 . 1 1 39 39 GLU CG C 13 36.208 0.300 . 1 . . . . 39 GLU CG . 11279 1 428 . 1 1 39 39 GLU N N 15 119.498 0.300 . 1 . . . . 39 GLU N . 11279 1 429 . 1 1 40 40 LYS H H 1 7.677 0.030 . 1 . . . . 40 LYS H . 11279 1 430 . 1 1 40 40 LYS HA H 1 4.348 0.030 . 1 . . . . 40 LYS HA . 11279 1 431 . 1 1 40 40 LYS HB2 H 1 1.870 0.030 . 2 . . . . 40 LYS HB2 . 11279 1 432 . 1 1 40 40 LYS HB3 H 1 1.925 0.030 . 2 . . . . 40 LYS HB3 . 11279 1 433 . 1 1 40 40 LYS HD2 H 1 1.641 0.030 . 2 . . . . 40 LYS HD2 . 11279 1 434 . 1 1 40 40 LYS HD3 H 1 1.735 0.030 . 2 . . . . 40 LYS HD3 . 11279 1 435 . 1 1 40 40 LYS HE2 H 1 2.998 0.030 . 2 . . . . 40 LYS HE2 . 11279 1 436 . 1 1 40 40 LYS HE3 H 1 3.098 0.030 . 2 . . . . 40 LYS HE3 . 11279 1 437 . 1 1 40 40 LYS HG2 H 1 1.517 0.030 . 2 . . . . 40 LYS HG2 . 11279 1 438 . 1 1 40 40 LYS HG3 H 1 1.645 0.030 . 2 . . . . 40 LYS HG3 . 11279 1 439 . 1 1 40 40 LYS C C 13 178.125 0.300 . 1 . . . . 40 LYS C . 11279 1 440 . 1 1 40 40 LYS CA C 13 57.558 0.300 . 1 . . . . 40 LYS CA . 11279 1 441 . 1 1 40 40 LYS CB C 13 33.824 0.300 . 1 . . . . 40 LYS CB . 11279 1 442 . 1 1 40 40 LYS CD C 13 28.590 0.300 . 1 . . . . 40 LYS CD . 11279 1 443 . 1 1 40 40 LYS CE C 13 42.376 0.300 . 1 . . . . 40 LYS CE . 11279 1 444 . 1 1 40 40 LYS CG C 13 25.271 0.300 . 1 . . . . 40 LYS CG . 11279 1 445 . 1 1 40 40 LYS N N 15 115.966 0.300 . 1 . . . . 40 LYS N . 11279 1 446 . 1 1 41 41 LEU H H 1 8.650 0.030 . 1 . . . . 41 LEU H . 11279 1 447 . 1 1 41 41 LEU HA H 1 4.544 0.030 . 1 . . . . 41 LEU HA . 11279 1 448 . 1 1 41 41 LEU HB2 H 1 1.501 0.030 . 1 . . . . 41 LEU HB2 . 11279 1 449 . 1 1 41 41 LEU HB3 H 1 1.501 0.030 . 1 . . . . 41 LEU HB3 . 11279 1 450 . 1 1 41 41 LEU HD11 H 1 0.688 0.030 . 1 . . . . 41 LEU HD1 . 11279 1 451 . 1 1 41 41 LEU HD12 H 1 0.688 0.030 . 1 . . . . 41 LEU HD1 . 11279 1 452 . 1 1 41 41 LEU HD13 H 1 0.688 0.030 . 1 . . . . 41 LEU HD1 . 11279 1 453 . 1 1 41 41 LEU HD21 H 1 0.682 0.030 . 1 . . . . 41 LEU HD2 . 11279 1 454 . 1 1 41 41 LEU HD22 H 1 0.682 0.030 . 1 . . . . 41 LEU HD2 . 11279 1 455 . 1 1 41 41 LEU HD23 H 1 0.682 0.030 . 1 . . . . 41 LEU HD2 . 11279 1 456 . 1 1 41 41 LEU HG H 1 1.536 0.030 . 1 . . . . 41 LEU HG . 11279 1 457 . 1 1 41 41 LEU C C 13 176.599 0.300 . 1 . . . . 41 LEU C . 11279 1 458 . 1 1 41 41 LEU CA C 13 53.863 0.300 . 1 . . . . 41 LEU CA . 11279 1 459 . 1 1 41 41 LEU CB C 13 42.623 0.300 . 1 . . . . 41 LEU CB . 11279 1 460 . 1 1 41 41 LEU CD1 C 13 26.096 0.300 . 2 . . . . 41 LEU CD1 . 11279 1 461 . 1 1 41 41 LEU CD2 C 13 22.887 0.300 . 2 . . . . 41 LEU CD2 . 11279 1 462 . 1 1 41 41 LEU CG C 13 27.081 0.300 . 1 . . . . 41 LEU CG . 11279 1 463 . 1 1 41 41 LEU N N 15 114.782 0.300 . 1 . . . . 41 LEU N . 11279 1 464 . 1 1 42 42 ASN H H 1 7.671 0.030 . 1 . . . . 42 ASN H . 11279 1 465 . 1 1 42 42 ASN HA H 1 4.574 0.030 . 1 . . . . 42 ASN HA . 11279 1 466 . 1 1 42 42 ASN HB2 H 1 2.732 0.030 . 2 . . . . 42 ASN HB2 . 11279 1 467 . 1 1 42 42 ASN HB3 H 1 3.127 0.030 . 2 . . . . 42 ASN HB3 . 11279 1 468 . 1 1 42 42 ASN HD21 H 1 6.773 0.030 . 2 . . . . 42 ASN HD21 . 11279 1 469 . 1 1 42 42 ASN HD22 H 1 7.509 0.030 . 2 . . . . 42 ASN HD22 . 11279 1 470 . 1 1 42 42 ASN C C 13 174.006 0.300 . 1 . . . . 42 ASN C . 11279 1 471 . 1 1 42 42 ASN CA C 13 54.426 0.300 . 1 . . . . 42 ASN CA . 11279 1 472 . 1 1 42 42 ASN CB C 13 36.889 0.300 . 1 . . . . 42 ASN CB . 11279 1 473 . 1 1 42 42 ASN N N 15 115.320 0.300 . 1 . . . . 42 ASN N . 11279 1 474 . 1 1 42 42 ASN ND2 N 15 111.490 0.300 . 1 . . . . 42 ASN ND2 . 11279 1 475 . 1 1 43 43 VAL H H 1 6.399 0.030 . 1 . . . . 43 VAL H . 11279 1 476 . 1 1 43 43 VAL HA H 1 4.579 0.030 . 1 . . . . 43 VAL HA . 11279 1 477 . 1 1 43 43 VAL HB H 1 1.573 0.030 . 1 . . . . 43 VAL HB . 11279 1 478 . 1 1 43 43 VAL HG11 H 1 0.909 0.030 . 1 . . . . 43 VAL HG1 . 11279 1 479 . 1 1 43 43 VAL HG12 H 1 0.909 0.030 . 1 . . . . 43 VAL HG1 . 11279 1 480 . 1 1 43 43 VAL HG13 H 1 0.909 0.030 . 1 . . . . 43 VAL HG1 . 11279 1 481 . 1 1 43 43 VAL HG21 H 1 0.787 0.030 . 1 . . . . 43 VAL HG2 . 11279 1 482 . 1 1 43 43 VAL HG22 H 1 0.787 0.030 . 1 . . . . 43 VAL HG2 . 11279 1 483 . 1 1 43 43 VAL HG23 H 1 0.787 0.030 . 1 . . . . 43 VAL HG2 . 11279 1 484 . 1 1 43 43 VAL C C 13 173.594 0.300 . 1 . . . . 43 VAL C . 11279 1 485 . 1 1 43 43 VAL CA C 13 58.414 0.300 . 1 . . . . 43 VAL CA . 11279 1 486 . 1 1 43 43 VAL CB C 13 34.712 0.300 . 1 . . . . 43 VAL CB . 11279 1 487 . 1 1 43 43 VAL CG1 C 13 21.788 0.300 . 2 . . . . 43 VAL CG1 . 11279 1 488 . 1 1 43 43 VAL CG2 C 13 20.510 0.300 . 2 . . . . 43 VAL CG2 . 11279 1 489 . 1 1 43 43 VAL N N 15 116.418 0.300 . 1 . . . . 43 VAL N . 11279 1 490 . 1 1 44 44 PRO HA H 1 4.370 0.030 . 1 . . . . 44 PRO HA . 11279 1 491 . 1 1 44 44 PRO HB2 H 1 1.743 0.030 . 2 . . . . 44 PRO HB2 . 11279 1 492 . 1 1 44 44 PRO HB3 H 1 2.469 0.030 . 2 . . . . 44 PRO HB3 . 11279 1 493 . 1 1 44 44 PRO HD2 H 1 3.543 0.030 . 2 . . . . 44 PRO HD2 . 11279 1 494 . 1 1 44 44 PRO HD3 H 1 3.954 0.030 . 2 . . . . 44 PRO HD3 . 11279 1 495 . 1 1 44 44 PRO HG2 H 1 1.979 0.030 . 2 . . . . 44 PRO HG2 . 11279 1 496 . 1 1 44 44 PRO HG3 H 1 2.098 0.030 . 2 . . . . 44 PRO HG3 . 11279 1 497 . 1 1 44 44 PRO C C 13 178.052 0.300 . 1 . . . . 44 PRO C . 11279 1 498 . 1 1 44 44 PRO CA C 13 63.166 0.300 . 1 . . . . 44 PRO CA . 11279 1 499 . 1 1 44 44 PRO CB C 13 32.943 0.300 . 1 . . . . 44 PRO CB . 11279 1 500 . 1 1 44 44 PRO CD C 13 51.586 0.300 . 1 . . . . 44 PRO CD . 11279 1 501 . 1 1 44 44 PRO CG C 13 27.985 0.300 . 1 . . . . 44 PRO CG . 11279 1 502 . 1 1 45 45 VAL H H 1 8.773 0.030 . 1 . . . . 45 VAL H . 11279 1 503 . 1 1 45 45 VAL HA H 1 3.578 0.030 . 1 . . . . 45 VAL HA . 11279 1 504 . 1 1 45 45 VAL HB H 1 2.054 0.030 . 1 . . . . 45 VAL HB . 11279 1 505 . 1 1 45 45 VAL HG11 H 1 0.941 0.030 . 1 . . . . 45 VAL HG1 . 11279 1 506 . 1 1 45 45 VAL HG12 H 1 0.941 0.030 . 1 . . . . 45 VAL HG1 . 11279 1 507 . 1 1 45 45 VAL HG13 H 1 0.941 0.030 . 1 . . . . 45 VAL HG1 . 11279 1 508 . 1 1 45 45 VAL HG21 H 1 1.028 0.030 . 1 . . . . 45 VAL HG2 . 11279 1 509 . 1 1 45 45 VAL HG22 H 1 1.028 0.030 . 1 . . . . 45 VAL HG2 . 11279 1 510 . 1 1 45 45 VAL HG23 H 1 1.028 0.030 . 1 . . . . 45 VAL HG2 . 11279 1 511 . 1 1 45 45 VAL C C 13 179.506 0.300 . 1 . . . . 45 VAL C . 11279 1 512 . 1 1 45 45 VAL CA C 13 67.480 0.300 . 1 . . . . 45 VAL CA . 11279 1 513 . 1 1 45 45 VAL CB C 13 32.015 0.300 . 1 . . . . 45 VAL CB . 11279 1 514 . 1 1 45 45 VAL CG1 C 13 21.177 0.300 . 2 . . . . 45 VAL CG1 . 11279 1 515 . 1 1 45 45 VAL CG2 C 13 21.788 0.300 . 2 . . . . 45 VAL CG2 . 11279 1 516 . 1 1 45 45 VAL N N 15 123.100 0.300 . 1 . . . . 45 VAL N . 11279 1 517 . 1 1 46 46 ARG H H 1 8.709 0.030 . 1 . . . . 46 ARG H . 11279 1 518 . 1 1 46 46 ARG HA H 1 4.176 0.030 . 1 . . . . 46 ARG HA . 11279 1 519 . 1 1 46 46 ARG HB2 H 1 1.857 0.030 . 2 . . . . 46 ARG HB2 . 11279 1 520 . 1 1 46 46 ARG HB3 H 1 1.898 0.030 . 2 . . . . 46 ARG HB3 . 11279 1 521 . 1 1 46 46 ARG HD2 H 1 3.213 0.030 . 1 . . . . 46 ARG HD2 . 11279 1 522 . 1 1 46 46 ARG HD3 H 1 3.213 0.030 . 1 . . . . 46 ARG HD3 . 11279 1 523 . 1 1 46 46 ARG HG2 H 1 1.615 0.030 . 2 . . . . 46 ARG HG2 . 11279 1 524 . 1 1 46 46 ARG HG3 H 1 1.660 0.030 . 2 . . . . 46 ARG HG3 . 11279 1 525 . 1 1 46 46 ARG C C 13 176.526 0.300 . 1 . . . . 46 ARG C . 11279 1 526 . 1 1 46 46 ARG CA C 13 58.261 0.300 . 1 . . . . 46 ARG CA . 11279 1 527 . 1 1 46 46 ARG CB C 13 29.724 0.300 . 1 . . . . 46 ARG CB . 11279 1 528 . 1 1 46 46 ARG CD C 13 43.281 0.300 . 1 . . . . 46 ARG CD . 11279 1 529 . 1 1 46 46 ARG CG C 13 27.409 0.300 . 1 . . . . 46 ARG CG . 11279 1 530 . 1 1 46 46 ARG N N 15 116.317 0.300 . 1 . . . . 46 ARG N . 11279 1 531 . 1 1 47 47 GLN H H 1 7.694 0.030 . 1 . . . . 47 GLN H . 11279 1 532 . 1 1 47 47 GLN HA H 1 4.430 0.030 . 1 . . . . 47 GLN HA . 11279 1 533 . 1 1 47 47 GLN HB2 H 1 1.798 0.030 . 2 . . . . 47 GLN HB2 . 11279 1 534 . 1 1 47 47 GLN HB3 H 1 2.592 0.030 . 2 . . . . 47 GLN HB3 . 11279 1 535 . 1 1 47 47 GLN HE21 H 1 6.755 0.030 . 2 . . . . 47 GLN HE21 . 11279 1 536 . 1 1 47 47 GLN HE22 H 1 7.635 0.030 . 2 . . . . 47 GLN HE22 . 11279 1 537 . 1 1 47 47 GLN HG2 H 1 2.116 0.030 . 2 . . . . 47 GLN HG2 . 11279 1 538 . 1 1 47 47 GLN HG3 H 1 2.372 0.030 . 2 . . . . 47 GLN HG3 . 11279 1 539 . 1 1 47 47 GLN C C 13 175.024 0.300 . 1 . . . . 47 GLN C . 11279 1 540 . 1 1 47 47 GLN CA C 13 55.763 0.300 . 1 . . . . 47 GLN CA . 11279 1 541 . 1 1 47 47 GLN CB C 13 31.274 0.300 . 1 . . . . 47 GLN CB . 11279 1 542 . 1 1 47 47 GLN CG C 13 36.299 0.300 . 1 . . . . 47 GLN CG . 11279 1 543 . 1 1 47 47 GLN N N 15 114.958 0.300 . 1 . . . . 47 GLN N . 11279 1 544 . 1 1 47 47 GLN NE2 N 15 110.133 0.300 . 1 . . . . 47 GLN NE2 . 11279 1 545 . 1 1 48 48 GLN H H 1 7.390 0.030 . 1 . . . . 48 GLN H . 11279 1 546 . 1 1 48 48 GLN HA H 1 4.126 0.030 . 1 . . . . 48 GLN HA . 11279 1 547 . 1 1 48 48 GLN HB2 H 1 1.807 0.030 . 2 . . . . 48 GLN HB2 . 11279 1 548 . 1 1 48 48 GLN HB3 H 1 1.902 0.030 . 2 . . . . 48 GLN HB3 . 11279 1 549 . 1 1 48 48 GLN HE21 H 1 6.574 0.030 . 2 . . . . 48 GLN HE21 . 11279 1 550 . 1 1 48 48 GLN HE22 H 1 6.375 0.030 . 2 . . . . 48 GLN HE22 . 11279 1 551 . 1 1 48 48 GLN HG2 H 1 2.636 0.030 . 2 . . . . 48 GLN HG2 . 11279 1 552 . 1 1 48 48 GLN HG3 H 1 1.665 0.030 . 2 . . . . 48 GLN HG3 . 11279 1 553 . 1 1 48 48 GLN C C 13 176.381 0.300 . 1 . . . . 48 GLN C . 11279 1 554 . 1 1 48 48 GLN CA C 13 57.346 0.300 . 1 . . . . 48 GLN CA . 11279 1 555 . 1 1 48 48 GLN CB C 13 30.791 0.300 . 1 . . . . 48 GLN CB . 11279 1 556 . 1 1 48 48 GLN CG C 13 33.495 0.300 . 1 . . . . 48 GLN CG . 11279 1 557 . 1 1 48 48 GLN N N 15 117.770 0.300 . 1 . . . . 48 GLN N . 11279 1 558 . 1 1 48 48 GLN NE2 N 15 103.400 0.300 . 1 . . . . 48 GLN NE2 . 11279 1 559 . 1 1 49 49 ARG H H 1 8.649 0.030 . 1 . . . . 49 ARG H . 11279 1 560 . 1 1 49 49 ARG HA H 1 4.494 0.030 . 1 . . . . 49 ARG HA . 11279 1 561 . 1 1 49 49 ARG HB2 H 1 1.609 0.030 . 2 . . . . 49 ARG HB2 . 11279 1 562 . 1 1 49 49 ARG HB3 H 1 1.795 0.030 . 2 . . . . 49 ARG HB3 . 11279 1 563 . 1 1 49 49 ARG HD2 H 1 3.115 0.030 . 2 . . . . 49 ARG HD2 . 11279 1 564 . 1 1 49 49 ARG HG2 H 1 1.337 0.030 . 2 . . . . 49 ARG HG2 . 11279 1 565 . 1 1 49 49 ARG HG3 H 1 1.592 0.030 . 2 . . . . 49 ARG HG3 . 11279 1 566 . 1 1 49 49 ARG C C 13 174.103 0.300 . 1 . . . . 49 ARG C . 11279 1 567 . 1 1 49 49 ARG CA C 13 55.306 0.300 . 1 . . . . 49 ARG CA . 11279 1 568 . 1 1 49 49 ARG CB C 13 31.538 0.300 . 1 . . . . 49 ARG CB . 11279 1 569 . 1 1 49 49 ARG CD C 13 43.856 0.300 . 1 . . . . 49 ARG CD . 11279 1 570 . 1 1 49 49 ARG CG C 13 26.998 0.300 . 1 . . . . 49 ARG CG . 11279 1 571 . 1 1 49 49 ARG N N 15 124.399 0.300 . 1 . . . . 49 ARG N . 11279 1 572 . 1 1 50 50 LEU H H 1 8.638 0.030 . 1 . . . . 50 LEU H . 11279 1 573 . 1 1 50 50 LEU HA H 1 5.210 0.030 . 1 . . . . 50 LEU HA . 11279 1 574 . 1 1 50 50 LEU HB2 H 1 1.143 0.030 . 2 . . . . 50 LEU HB2 . 11279 1 575 . 1 1 50 50 LEU HB3 H 1 1.527 0.030 . 2 . . . . 50 LEU HB3 . 11279 1 576 . 1 1 50 50 LEU HD11 H 1 0.764 0.030 . 1 . . . . 50 LEU HD1 . 11279 1 577 . 1 1 50 50 LEU HD12 H 1 0.764 0.030 . 1 . . . . 50 LEU HD1 . 11279 1 578 . 1 1 50 50 LEU HD13 H 1 0.764 0.030 . 1 . . . . 50 LEU HD1 . 11279 1 579 . 1 1 50 50 LEU HD21 H 1 0.796 0.030 . 1 . . . . 50 LEU HD2 . 11279 1 580 . 1 1 50 50 LEU HD22 H 1 0.796 0.030 . 1 . . . . 50 LEU HD2 . 11279 1 581 . 1 1 50 50 LEU HD23 H 1 0.796 0.030 . 1 . . . . 50 LEU HD2 . 11279 1 582 . 1 1 50 50 LEU HG H 1 1.524 0.030 . 1 . . . . 50 LEU HG . 11279 1 583 . 1 1 50 50 LEU C C 13 175.097 0.300 . 1 . . . . 50 LEU C . 11279 1 584 . 1 1 50 50 LEU CA C 13 52.877 0.300 . 1 . . . . 50 LEU CA . 11279 1 585 . 1 1 50 50 LEU CB C 13 45.270 0.300 . 1 . . . . 50 LEU CB . 11279 1 586 . 1 1 50 50 LEU CD1 C 13 26.777 0.300 . 2 . . . . 50 LEU CD1 . 11279 1 587 . 1 1 50 50 LEU CD2 C 13 24.736 0.300 . 2 . . . . 50 LEU CD2 . 11279 1 588 . 1 1 50 50 LEU CG C 13 26.916 0.300 . 1 . . . . 50 LEU CG . 11279 1 589 . 1 1 50 50 LEU N N 15 125.605 0.300 . 1 . . . . 50 LEU N . 11279 1 590 . 1 1 51 51 LEU H H 1 9.192 0.030 . 1 . . . . 51 LEU H . 11279 1 591 . 1 1 51 51 LEU HA H 1 5.186 0.030 . 1 . . . . 51 LEU HA . 11279 1 592 . 1 1 51 51 LEU HB2 H 1 1.194 0.030 . 2 . . . . 51 LEU HB2 . 11279 1 593 . 1 1 51 51 LEU HB3 H 1 1.707 0.030 . 2 . . . . 51 LEU HB3 . 11279 1 594 . 1 1 51 51 LEU HD11 H 1 0.763 0.030 . 1 . . . . 51 LEU HD1 . 11279 1 595 . 1 1 51 51 LEU HD12 H 1 0.763 0.030 . 1 . . . . 51 LEU HD1 . 11279 1 596 . 1 1 51 51 LEU HD13 H 1 0.763 0.030 . 1 . . . . 51 LEU HD1 . 11279 1 597 . 1 1 51 51 LEU HD21 H 1 0.605 0.030 . 1 . . . . 51 LEU HD2 . 11279 1 598 . 1 1 51 51 LEU HD22 H 1 0.605 0.030 . 1 . . . . 51 LEU HD2 . 11279 1 599 . 1 1 51 51 LEU HD23 H 1 0.605 0.030 . 1 . . . . 51 LEU HD2 . 11279 1 600 . 1 1 51 51 LEU HG H 1 1.395 0.030 . 1 . . . . 51 LEU HG . 11279 1 601 . 1 1 51 51 LEU C C 13 176.235 0.300 . 1 . . . . 51 LEU C . 11279 1 602 . 1 1 51 51 LEU CA C 13 53.758 0.300 . 1 . . . . 51 LEU CA . 11279 1 603 . 1 1 51 51 LEU CB C 13 46.488 0.300 . 1 . . . . 51 LEU CB . 11279 1 604 . 1 1 51 51 LEU CD1 C 13 26.012 0.300 . 2 . . . . 51 LEU CD1 . 11279 1 605 . 1 1 51 51 LEU CD2 C 13 24.367 0.300 . 2 . . . . 51 LEU CD2 . 11279 1 606 . 1 1 51 51 LEU CG C 13 27.693 0.300 . 1 . . . . 51 LEU CG . 11279 1 607 . 1 1 51 51 LEU N N 15 121.698 0.300 . 1 . . . . 51 LEU N . 11279 1 608 . 1 1 52 52 PHE H H 1 8.831 0.030 . 1 . . . . 52 PHE H . 11279 1 609 . 1 1 52 52 PHE HA H 1 5.174 0.030 . 1 . . . . 52 PHE HA . 11279 1 610 . 1 1 52 52 PHE HB2 H 1 2.795 0.030 . 1 . . . . 52 PHE HB2 . 11279 1 611 . 1 1 52 52 PHE HB3 H 1 2.795 0.030 . 1 . . . . 52 PHE HB3 . 11279 1 612 . 1 1 52 52 PHE HD1 H 1 7.328 0.030 . 1 . . . . 52 PHE HD1 . 11279 1 613 . 1 1 52 52 PHE HD2 H 1 7.328 0.030 . 1 . . . . 52 PHE HD2 . 11279 1 614 . 1 1 52 52 PHE HE1 H 1 7.520 0.030 . 1 . . . . 52 PHE HE1 . 11279 1 615 . 1 1 52 52 PHE HE2 H 1 7.520 0.030 . 1 . . . . 52 PHE HE2 . 11279 1 616 . 1 1 52 52 PHE HZ H 1 7.470 0.030 . 1 . . . . 52 PHE HZ . 11279 1 617 . 1 1 52 52 PHE C C 13 174.903 0.300 . 1 . . . . 52 PHE C . 11279 1 618 . 1 1 52 52 PHE CA C 13 55.798 0.300 . 1 . . . . 52 PHE CA . 11279 1 619 . 1 1 52 52 PHE CB C 13 42.648 0.300 . 1 . . . . 52 PHE CB . 11279 1 620 . 1 1 52 52 PHE CD1 C 13 131.938 0.300 . 1 . . . . 52 PHE CD1 . 11279 1 621 . 1 1 52 52 PHE CD2 C 13 131.938 0.300 . 1 . . . . 52 PHE CD2 . 11279 1 622 . 1 1 52 52 PHE CE1 C 13 132.348 0.300 . 1 . . . . 52 PHE CE1 . 11279 1 623 . 1 1 52 52 PHE CE2 C 13 132.348 0.300 . 1 . . . . 52 PHE CE2 . 11279 1 624 . 1 1 52 52 PHE CZ C 13 130.252 0.300 . 1 . . . . 52 PHE CZ . 11279 1 625 . 1 1 52 52 PHE N N 15 119.932 0.300 . 1 . . . . 52 PHE N . 11279 1 626 . 1 1 53 53 LYS H H 1 9.242 0.030 . 1 . . . . 53 LYS H . 11279 1 627 . 1 1 53 53 LYS HA H 1 3.629 0.030 . 1 . . . . 53 LYS HA . 11279 1 628 . 1 1 53 53 LYS HB2 H 1 1.391 0.030 . 2 . . . . 53 LYS HB2 . 11279 1 629 . 1 1 53 53 LYS HB3 H 1 1.652 0.030 . 2 . . . . 53 LYS HB3 . 11279 1 630 . 1 1 53 53 LYS HD2 H 1 1.397 0.030 . 2 . . . . 53 LYS HD2 . 11279 1 631 . 1 1 53 53 LYS HD3 H 1 1.325 0.030 . 2 . . . . 53 LYS HD3 . 11279 1 632 . 1 1 53 53 LYS HE2 H 1 2.867 0.030 . 2 . . . . 53 LYS HE2 . 11279 1 633 . 1 1 53 53 LYS HE3 H 1 2.797 0.030 . 2 . . . . 53 LYS HE3 . 11279 1 634 . 1 1 53 53 LYS HG2 H 1 0.189 0.030 . 2 . . . . 53 LYS HG2 . 11279 1 635 . 1 1 53 53 LYS HG3 H 1 0.728 0.030 . 2 . . . . 53 LYS HG3 . 11279 1 636 . 1 1 53 53 LYS C C 13 176.720 0.300 . 1 . . . . 53 LYS C . 11279 1 637 . 1 1 53 53 LYS CA C 13 57.346 0.300 . 1 . . . . 53 LYS CA . 11279 1 638 . 1 1 53 53 LYS CB C 13 29.959 0.300 . 1 . . . . 53 LYS CB . 11279 1 639 . 1 1 53 53 LYS CD C 13 29.497 0.300 . 1 . . . . 53 LYS CD . 11279 1 640 . 1 1 53 53 LYS CE C 13 42.129 0.300 . 1 . . . . 53 LYS CE . 11279 1 641 . 1 1 53 53 LYS CG C 13 24.614 0.300 . 1 . . . . 53 LYS CG . 11279 1 642 . 1 1 53 53 LYS N N 15 127.791 0.300 . 1 . . . . 53 LYS N . 11279 1 643 . 1 1 54 54 GLY H H 1 8.556 0.030 . 1 . . . . 54 GLY H . 11279 1 644 . 1 1 54 54 GLY HA2 H 1 3.484 0.030 . 2 . . . . 54 GLY HA2 . 11279 1 645 . 1 1 54 54 GLY HA3 H 1 4.153 0.030 . 2 . . . . 54 GLY HA3 . 11279 1 646 . 1 1 54 54 GLY C C 13 173.473 0.300 . 1 . . . . 54 GLY C . 11279 1 647 . 1 1 54 54 GLY CA C 13 45.313 0.300 . 1 . . . . 54 GLY CA . 11279 1 648 . 1 1 54 54 GLY N N 15 103.247 0.300 . 1 . . . . 54 GLY N . 11279 1 649 . 1 1 55 55 LYS H H 1 7.830 0.030 . 1 . . . . 55 LYS H . 11279 1 650 . 1 1 55 55 LYS HA H 1 4.573 0.030 . 1 . . . . 55 LYS HA . 11279 1 651 . 1 1 55 55 LYS HB2 H 1 1.944 0.030 . 1 . . . . 55 LYS HB2 . 11279 1 652 . 1 1 55 55 LYS HB3 H 1 1.944 0.030 . 1 . . . . 55 LYS HB3 . 11279 1 653 . 1 1 55 55 LYS HD2 H 1 1.865 0.030 . 1 . . . . 55 LYS HD2 . 11279 1 654 . 1 1 55 55 LYS HD3 H 1 1.865 0.030 . 1 . . . . 55 LYS HD3 . 11279 1 655 . 1 1 55 55 LYS HE2 H 1 3.153 0.030 . 1 . . . . 55 LYS HE2 . 11279 1 656 . 1 1 55 55 LYS HE3 H 1 3.153 0.030 . 1 . . . . 55 LYS HE3 . 11279 1 657 . 1 1 55 55 LYS HG2 H 1 1.522 0.030 . 1 . . . . 55 LYS HG2 . 11279 1 658 . 1 1 55 55 LYS HG3 H 1 1.522 0.030 . 1 . . . . 55 LYS HG3 . 11279 1 659 . 1 1 55 55 LYS C C 13 175.097 0.300 . 1 . . . . 55 LYS C . 11279 1 660 . 1 1 55 55 LYS CA C 13 54.743 0.300 . 1 . . . . 55 LYS CA . 11279 1 661 . 1 1 55 55 LYS CB C 13 33.988 0.300 . 1 . . . . 55 LYS CB . 11279 1 662 . 1 1 55 55 LYS CD C 13 29.136 0.300 . 1 . . . . 55 LYS CD . 11279 1 663 . 1 1 55 55 LYS CE C 13 42.293 0.300 . 1 . . . . 55 LYS CE . 11279 1 664 . 1 1 55 55 LYS CG C 13 24.778 0.300 . 1 . . . . 55 LYS CG . 11279 1 665 . 1 1 55 55 LYS N N 15 122.076 0.300 . 1 . . . . 55 LYS N . 11279 1 666 . 1 1 56 56 ALA H H 1 8.569 0.030 . 1 . . . . 56 ALA H . 11279 1 667 . 1 1 56 56 ALA HA H 1 4.707 0.030 . 1 . . . . 56 ALA HA . 11279 1 668 . 1 1 56 56 ALA HB1 H 1 1.274 0.030 . 1 . . . . 56 ALA HB . 11279 1 669 . 1 1 56 56 ALA HB2 H 1 1.274 0.030 . 1 . . . . 56 ALA HB . 11279 1 670 . 1 1 56 56 ALA HB3 H 1 1.274 0.030 . 1 . . . . 56 ALA HB . 11279 1 671 . 1 1 56 56 ALA C C 13 177.568 0.300 . 1 . . . . 56 ALA C . 11279 1 672 . 1 1 56 56 ALA CA C 13 51.717 0.300 . 1 . . . . 56 ALA CA . 11279 1 673 . 1 1 56 56 ALA CB C 13 18.520 0.300 . 1 . . . . 56 ALA CB . 11279 1 674 . 1 1 56 56 ALA N N 15 126.538 0.300 . 1 . . . . 56 ALA N . 11279 1 675 . 1 1 57 57 LEU H H 1 8.471 0.030 . 1 . . . . 57 LEU H . 11279 1 676 . 1 1 57 57 LEU HA H 1 3.879 0.030 . 1 . . . . 57 LEU HA . 11279 1 677 . 1 1 57 57 LEU HB2 H 1 1.056 0.030 . 2 . . . . 57 LEU HB2 . 11279 1 678 . 1 1 57 57 LEU HB3 H 1 1.394 0.030 . 2 . . . . 57 LEU HB3 . 11279 1 679 . 1 1 57 57 LEU HD11 H 1 0.432 0.030 . 1 . . . . 57 LEU HD1 . 11279 1 680 . 1 1 57 57 LEU HD12 H 1 0.432 0.030 . 1 . . . . 57 LEU HD1 . 11279 1 681 . 1 1 57 57 LEU HD13 H 1 0.432 0.030 . 1 . . . . 57 LEU HD1 . 11279 1 682 . 1 1 57 57 LEU HD21 H 1 -0.096 0.030 . 1 . . . . 57 LEU HD2 . 11279 1 683 . 1 1 57 57 LEU HD22 H 1 -0.096 0.030 . 1 . . . . 57 LEU HD2 . 11279 1 684 . 1 1 57 57 LEU HD23 H 1 -0.096 0.030 . 1 . . . . 57 LEU HD2 . 11279 1 685 . 1 1 57 57 LEU HG H 1 1.314 0.030 . 1 . . . . 57 LEU HG . 11279 1 686 . 1 1 57 57 LEU C C 13 176.090 0.300 . 1 . . . . 57 LEU C . 11279 1 687 . 1 1 57 57 LEU CA C 13 54.286 0.300 . 1 . . . . 57 LEU CA . 11279 1 688 . 1 1 57 57 LEU CB C 13 42.047 0.300 . 1 . . . . 57 LEU CB . 11279 1 689 . 1 1 57 57 LEU CD1 C 13 25.644 0.300 . 2 . . . . 57 LEU CD1 . 11279 1 690 . 1 1 57 57 LEU CD2 C 13 20.926 0.300 . 2 . . . . 57 LEU CD2 . 11279 1 691 . 1 1 57 57 LEU CG C 13 26.574 0.300 . 1 . . . . 57 LEU CG . 11279 1 692 . 1 1 57 57 LEU N N 15 122.591 0.300 . 1 . . . . 57 LEU N . 11279 1 693 . 1 1 58 58 ALA H H 1 8.419 0.030 . 1 . . . . 58 ALA H . 11279 1 694 . 1 1 58 58 ALA HA H 1 4.519 0.030 . 1 . . . . 58 ALA HA . 11279 1 695 . 1 1 58 58 ALA HB1 H 1 1.481 0.030 . 1 . . . . 58 ALA HB . 11279 1 696 . 1 1 58 58 ALA HB2 H 1 1.481 0.030 . 1 . . . . 58 ALA HB . 11279 1 697 . 1 1 58 58 ALA HB3 H 1 1.481 0.030 . 1 . . . . 58 ALA HB . 11279 1 698 . 1 1 58 58 ALA C C 13 177.447 0.300 . 1 . . . . 58 ALA C . 11279 1 699 . 1 1 58 58 ALA CA C 13 51.576 0.300 . 1 . . . . 58 ALA CA . 11279 1 700 . 1 1 58 58 ALA CB C 13 20.147 0.300 . 1 . . . . 58 ALA CB . 11279 1 701 . 1 1 58 58 ALA N N 15 127.039 0.300 . 1 . . . . 58 ALA N . 11279 1 702 . 1 1 59 59 ASP H H 1 8.166 0.030 . 1 . . . . 59 ASP H . 11279 1 703 . 1 1 59 59 ASP HA H 1 4.129 0.030 . 1 . . . . 59 ASP HA . 11279 1 704 . 1 1 59 59 ASP HB2 H 1 2.524 0.030 . 2 . . . . 59 ASP HB2 . 11279 1 705 . 1 1 59 59 ASP HB3 H 1 2.561 0.030 . 2 . . . . 59 ASP HB3 . 11279 1 706 . 1 1 59 59 ASP C C 13 176.502 0.300 . 1 . . . . 59 ASP C . 11279 1 707 . 1 1 59 59 ASP CA C 13 57.382 0.300 . 1 . . . . 59 ASP CA . 11279 1 708 . 1 1 59 59 ASP CB C 13 41.225 0.300 . 1 . . . . 59 ASP CB . 11279 1 709 . 1 1 59 59 ASP N N 15 120.799 0.300 . 1 . . . . 59 ASP N . 11279 1 710 . 1 1 60 60 GLY H H 1 8.432 0.030 . 1 . . . . 60 GLY H . 11279 1 711 . 1 1 60 60 GLY HA2 H 1 3.991 0.030 . 2 . . . . 60 GLY HA2 . 11279 1 712 . 1 1 60 60 GLY HA3 H 1 4.119 0.030 . 2 . . . . 60 GLY HA3 . 11279 1 713 . 1 1 60 60 GLY C C 13 174.685 0.300 . 1 . . . . 60 GLY C . 11279 1 714 . 1 1 60 60 GLY CA C 13 44.915 0.300 . 1 . . . . 60 GLY CA . 11279 1 715 . 1 1 60 60 GLY N N 15 105.920 0.300 . 1 . . . . 60 GLY N . 11279 1 716 . 1 1 61 61 LYS H H 1 7.563 0.030 . 1 . . . . 61 LYS H . 11279 1 717 . 1 1 61 61 LYS HA H 1 4.673 0.030 . 1 . . . . 61 LYS HA . 11279 1 718 . 1 1 61 61 LYS HB2 H 1 2.252 0.030 . 2 . . . . 61 LYS HB2 . 11279 1 719 . 1 1 61 61 LYS HB3 H 1 2.395 0.030 . 2 . . . . 61 LYS HB3 . 11279 1 720 . 1 1 61 61 LYS HD2 H 1 1.667 0.030 . 1 . . . . 61 LYS HD2 . 11279 1 721 . 1 1 61 61 LYS HD3 H 1 1.667 0.030 . 1 . . . . 61 LYS HD3 . 11279 1 722 . 1 1 61 61 LYS HE2 H 1 2.874 0.030 . 1 . . . . 61 LYS HE2 . 11279 1 723 . 1 1 61 61 LYS HE3 H 1 2.874 0.030 . 1 . . . . 61 LYS HE3 . 11279 1 724 . 1 1 61 61 LYS HG2 H 1 1.393 0.030 . 2 . . . . 61 LYS HG2 . 11279 1 725 . 1 1 61 61 LYS HG3 H 1 1.672 0.030 . 2 . . . . 61 LYS HG3 . 11279 1 726 . 1 1 61 61 LYS C C 13 174.903 0.300 . 1 . . . . 61 LYS C . 11279 1 727 . 1 1 61 61 LYS CA C 13 54.426 0.300 . 1 . . . . 61 LYS CA . 11279 1 728 . 1 1 61 61 LYS CB C 13 34.482 0.300 . 1 . . . . 61 LYS CB . 11279 1 729 . 1 1 61 61 LYS CD C 13 28.137 0.300 . 1 . . . . 61 LYS CD . 11279 1 730 . 1 1 61 61 LYS CE C 13 42.376 0.300 . 1 . . . . 61 LYS CE . 11279 1 731 . 1 1 61 61 LYS CG C 13 25.683 0.300 . 1 . . . . 61 LYS CG . 11279 1 732 . 1 1 61 61 LYS N N 15 119.689 0.300 . 1 . . . . 61 LYS N . 11279 1 733 . 1 1 62 62 ARG H H 1 9.219 0.030 . 1 . . . . 62 ARG H . 11279 1 734 . 1 1 62 62 ARG HA H 1 5.286 0.030 . 1 . . . . 62 ARG HA . 11279 1 735 . 1 1 62 62 ARG HB2 H 1 1.493 0.030 . 2 . . . . 62 ARG HB2 . 11279 1 736 . 1 1 62 62 ARG HB3 H 1 1.647 0.030 . 2 . . . . 62 ARG HB3 . 11279 1 737 . 1 1 62 62 ARG HD2 H 1 3.125 0.030 . 2 . . . . 62 ARG HD2 . 11279 1 738 . 1 1 62 62 ARG HD3 H 1 3.359 0.030 . 2 . . . . 62 ARG HD3 . 11279 1 739 . 1 1 62 62 ARG HE H 1 7.229 0.030 . 1 . . . . 62 ARG HE . 11279 1 740 . 1 1 62 62 ARG HG2 H 1 1.593 0.030 . 2 . . . . 62 ARG HG2 . 11279 1 741 . 1 1 62 62 ARG HG3 H 1 1.708 0.030 . 2 . . . . 62 ARG HG3 . 11279 1 742 . 1 1 62 62 ARG C C 13 179.579 0.300 . 1 . . . . 62 ARG C . 11279 1 743 . 1 1 62 62 ARG CA C 13 54.621 0.300 . 1 . . . . 62 ARG CA . 11279 1 744 . 1 1 62 62 ARG CB C 13 33.805 0.300 . 1 . . . . 62 ARG CB . 11279 1 745 . 1 1 62 62 ARG CD C 13 43.198 0.300 . 1 . . . . 62 ARG CD . 11279 1 746 . 1 1 62 62 ARG CG C 13 29.383 0.300 . 1 . . . . 62 ARG CG . 11279 1 747 . 1 1 62 62 ARG N N 15 118.821 0.300 . 1 . . . . 62 ARG N . 11279 1 748 . 1 1 62 62 ARG NE N 15 85.306 0.300 . 1 . . . . 62 ARG NE . 11279 1 749 . 1 1 63 63 LEU H H 1 9.186 0.030 . 1 . . . . 63 LEU H . 11279 1 750 . 1 1 63 63 LEU HA H 1 3.970 0.030 . 1 . . . . 63 LEU HA . 11279 1 751 . 1 1 63 63 LEU HB2 H 1 1.298 0.030 . 2 . . . . 63 LEU HB2 . 11279 1 752 . 1 1 63 63 LEU HB3 H 1 2.061 0.030 . 2 . . . . 63 LEU HB3 . 11279 1 753 . 1 1 63 63 LEU HD11 H 1 0.662 0.030 . 1 . . . . 63 LEU HD1 . 11279 1 754 . 1 1 63 63 LEU HD12 H 1 0.662 0.030 . 1 . . . . 63 LEU HD1 . 11279 1 755 . 1 1 63 63 LEU HD13 H 1 0.662 0.030 . 1 . . . . 63 LEU HD1 . 11279 1 756 . 1 1 63 63 LEU HD21 H 1 0.598 0.030 . 1 . . . . 63 LEU HD2 . 11279 1 757 . 1 1 63 63 LEU HD22 H 1 0.598 0.030 . 1 . . . . 63 LEU HD2 . 11279 1 758 . 1 1 63 63 LEU HD23 H 1 0.598 0.030 . 1 . . . . 63 LEU HD2 . 11279 1 759 . 1 1 63 63 LEU HG H 1 1.951 0.030 . 1 . . . . 63 LEU HG . 11279 1 760 . 1 1 63 63 LEU C C 13 179.118 0.300 . 1 . . . . 63 LEU C . 11279 1 761 . 1 1 63 63 LEU CA C 13 58.895 0.300 . 1 . . . . 63 LEU CA . 11279 1 762 . 1 1 63 63 LEU CB C 13 39.958 0.300 . 1 . . . . 63 LEU CB . 11279 1 763 . 1 1 63 63 LEU CD1 C 13 27.230 0.300 . 2 . . . . 63 LEU CD1 . 11279 1 764 . 1 1 63 63 LEU CD2 C 13 22.513 0.300 . 2 . . . . 63 LEU CD2 . 11279 1 765 . 1 1 63 63 LEU CG C 13 26.323 0.300 . 1 . . . . 63 LEU CG . 11279 1 766 . 1 1 63 63 LEU N N 15 119.420 0.300 . 1 . . . . 63 LEU N . 11279 1 767 . 1 1 64 64 SER H H 1 7.430 0.030 . 1 . . . . 64 SER H . 11279 1 768 . 1 1 64 64 SER HA H 1 4.331 0.030 . 1 . . . . 64 SER HA . 11279 1 769 . 1 1 64 64 SER HB2 H 1 3.749 0.030 . 2 . . . . 64 SER HB2 . 11279 1 770 . 1 1 64 64 SER HB3 H 1 3.964 0.030 . 2 . . . . 64 SER HB3 . 11279 1 771 . 1 1 64 64 SER C C 13 178.416 0.300 . 1 . . . . 64 SER C . 11279 1 772 . 1 1 64 64 SER CA C 13 59.704 0.300 . 1 . . . . 64 SER CA . 11279 1 773 . 1 1 64 64 SER CB C 13 61.825 0.300 . 1 . . . . 64 SER CB . 11279 1 774 . 1 1 64 64 SER N N 15 108.772 0.300 . 1 . . . . 64 SER N . 11279 1 775 . 1 1 65 65 ASP H H 1 7.787 0.030 . 1 . . . . 65 ASP H . 11279 1 776 . 1 1 65 65 ASP HA H 1 4.472 0.030 . 1 . . . . 65 ASP HA . 11279 1 777 . 1 1 65 65 ASP HB2 H 1 2.387 0.030 . 2 . . . . 65 ASP HB2 . 11279 1 778 . 1 1 65 65 ASP HB3 H 1 2.825 0.030 . 2 . . . . 65 ASP HB3 . 11279 1 779 . 1 1 65 65 ASP C C 13 176.332 0.300 . 1 . . . . 65 ASP C . 11279 1 780 . 1 1 65 65 ASP CA C 13 57.276 0.300 . 1 . . . . 65 ASP CA . 11279 1 781 . 1 1 65 65 ASP CB C 13 40.567 0.300 . 1 . . . . 65 ASP CB . 11279 1 782 . 1 1 65 65 ASP N N 15 123.424 0.300 . 1 . . . . 65 ASP N . 11279 1 783 . 1 1 66 66 TYR H H 1 7.438 0.030 . 1 . . . . 66 TYR H . 11279 1 784 . 1 1 66 66 TYR HA H 1 4.652 0.030 . 1 . . . . 66 TYR HA . 11279 1 785 . 1 1 66 66 TYR HB2 H 1 2.564 0.030 . 2 . . . . 66 TYR HB2 . 11279 1 786 . 1 1 66 66 TYR HB3 H 1 3.395 0.030 . 2 . . . . 66 TYR HB3 . 11279 1 787 . 1 1 66 66 TYR HD1 H 1 7.211 0.030 . 1 . . . . 66 TYR HD1 . 11279 1 788 . 1 1 66 66 TYR HD2 H 1 7.211 0.030 . 1 . . . . 66 TYR HD2 . 11279 1 789 . 1 1 66 66 TYR HE1 H 1 6.823 0.030 . 1 . . . . 66 TYR HE1 . 11279 1 790 . 1 1 66 66 TYR HE2 H 1 6.823 0.030 . 1 . . . . 66 TYR HE2 . 11279 1 791 . 1 1 66 66 TYR C C 13 174.782 0.300 . 1 . . . . 66 TYR C . 11279 1 792 . 1 1 66 66 TYR CA C 13 57.487 0.300 . 1 . . . . 66 TYR CA . 11279 1 793 . 1 1 66 66 TYR CB C 13 40.124 0.300 . 1 . . . . 66 TYR CB . 11279 1 794 . 1 1 66 66 TYR CD1 C 13 133.883 0.300 . 1 . . . . 66 TYR CD1 . 11279 1 795 . 1 1 66 66 TYR CD2 C 13 133.883 0.300 . 1 . . . . 66 TYR CD2 . 11279 1 796 . 1 1 66 66 TYR CE1 C 13 118.464 0.300 . 1 . . . . 66 TYR CE1 . 11279 1 797 . 1 1 66 66 TYR CE2 C 13 118.464 0.300 . 1 . . . . 66 TYR CE2 . 11279 1 798 . 1 1 66 66 TYR N N 15 116.549 0.300 . 1 . . . . 66 TYR N . 11279 1 799 . 1 1 67 67 SER H H 1 7.637 0.030 . 1 . . . . 67 SER H . 11279 1 800 . 1 1 67 67 SER HA H 1 4.032 0.030 . 1 . . . . 67 SER HA . 11279 1 801 . 1 1 67 67 SER HB2 H 1 4.136 0.030 . 1 . . . . 67 SER HB2 . 11279 1 802 . 1 1 67 67 SER HB3 H 1 4.136 0.030 . 1 . . . . 67 SER HB3 . 11279 1 803 . 1 1 67 67 SER C C 13 173.716 0.300 . 1 . . . . 67 SER C . 11279 1 804 . 1 1 67 67 SER CA C 13 58.930 0.300 . 1 . . . . 67 SER CA . 11279 1 805 . 1 1 67 67 SER CB C 13 61.157 0.300 . 1 . . . . 67 SER CB . 11279 1 806 . 1 1 67 67 SER N N 15 110.746 0.300 . 1 . . . . 67 SER N . 11279 1 807 . 1 1 68 68 ILE H H 1 6.706 0.030 . 1 . . . . 68 ILE H . 11279 1 808 . 1 1 68 68 ILE HA H 1 3.331 0.030 . 1 . . . . 68 ILE HA . 11279 1 809 . 1 1 68 68 ILE HB H 1 1.320 0.030 . 1 . . . . 68 ILE HB . 11279 1 810 . 1 1 68 68 ILE HD11 H 1 0.449 0.030 . 1 . . . . 68 ILE HD1 . 11279 1 811 . 1 1 68 68 ILE HD12 H 1 0.449 0.030 . 1 . . . . 68 ILE HD1 . 11279 1 812 . 1 1 68 68 ILE HD13 H 1 0.449 0.030 . 1 . . . . 68 ILE HD1 . 11279 1 813 . 1 1 68 68 ILE HG12 H 1 1.072 0.030 . 2 . . . . 68 ILE HG12 . 11279 1 814 . 1 1 68 68 ILE HG13 H 1 -0.789 0.030 . 2 . . . . 68 ILE HG13 . 11279 1 815 . 1 1 68 68 ILE HG21 H 1 0.484 0.030 . 1 . . . . 68 ILE HG2 . 11279 1 816 . 1 1 68 68 ILE HG22 H 1 0.484 0.030 . 1 . . . . 68 ILE HG2 . 11279 1 817 . 1 1 68 68 ILE HG23 H 1 0.484 0.030 . 1 . . . . 68 ILE HG2 . 11279 1 818 . 1 1 68 68 ILE C C 13 174.685 0.300 . 1 . . . . 68 ILE C . 11279 1 819 . 1 1 68 68 ILE CA C 13 61.921 0.300 . 1 . . . . 68 ILE CA . 11279 1 820 . 1 1 68 68 ILE CB C 13 37.278 0.300 . 1 . . . . 68 ILE CB . 11279 1 821 . 1 1 68 68 ILE CD1 C 13 15.097 0.300 . 1 . . . . 68 ILE CD1 . 11279 1 822 . 1 1 68 68 ILE CG1 C 13 27.574 0.300 . 1 . . . . 68 ILE CG1 . 11279 1 823 . 1 1 68 68 ILE CG2 C 13 17.374 0.300 . 1 . . . . 68 ILE CG2 . 11279 1 824 . 1 1 68 68 ILE N N 15 119.961 0.300 . 1 . . . . 68 ILE N . 11279 1 825 . 1 1 69 69 GLY H H 1 7.730 0.030 . 1 . . . . 69 GLY H . 11279 1 826 . 1 1 69 69 GLY HA2 H 1 3.746 0.030 . 2 . . . . 69 GLY HA2 . 11279 1 827 . 1 1 69 69 GLY HA3 H 1 4.621 0.030 . 2 . . . . 69 GLY HA3 . 11279 1 828 . 1 1 69 69 GLY C C 13 172.141 0.300 . 1 . . . . 69 GLY C . 11279 1 829 . 1 1 69 69 GLY CA C 13 43.976 0.300 . 1 . . . . 69 GLY CA . 11279 1 830 . 1 1 69 69 GLY N N 15 114.862 0.300 . 1 . . . . 69 GLY N . 11279 1 831 . 1 1 70 70 PRO HA H 1 4.295 0.030 . 1 . . . . 70 PRO HA . 11279 1 832 . 1 1 70 70 PRO HB2 H 1 1.929 0.030 . 2 . . . . 70 PRO HB2 . 11279 1 833 . 1 1 70 70 PRO HB3 H 1 2.501 0.030 . 2 . . . . 70 PRO HB3 . 11279 1 834 . 1 1 70 70 PRO HD2 H 1 3.584 0.030 . 2 . . . . 70 PRO HD2 . 11279 1 835 . 1 1 70 70 PRO HD3 H 1 3.723 0.030 . 2 . . . . 70 PRO HD3 . 11279 1 836 . 1 1 70 70 PRO HG2 H 1 1.987 0.030 . 2 . . . . 70 PRO HG2 . 11279 1 837 . 1 1 70 70 PRO HG3 H 1 2.138 0.030 . 2 . . . . 70 PRO HG3 . 11279 1 838 . 1 1 70 70 PRO C C 13 176.865 0.300 . 1 . . . . 70 PRO C . 11279 1 839 . 1 1 70 70 PRO CA C 13 64.489 0.300 . 1 . . . . 70 PRO CA . 11279 1 840 . 1 1 70 70 PRO CB C 13 32.408 0.300 . 1 . . . . 70 PRO CB . 11279 1 841 . 1 1 70 70 PRO CD C 13 49.777 0.300 . 1 . . . . 70 PRO CD . 11279 1 842 . 1 1 70 70 PRO CG C 13 27.738 0.300 . 1 . . . . 70 PRO CG . 11279 1 843 . 1 1 71 71 ASN H H 1 9.109 0.030 . 1 . . . . 71 ASN H . 11279 1 844 . 1 1 71 71 ASN HA H 1 4.360 0.030 . 1 . . . . 71 ASN HA . 11279 1 845 . 1 1 71 71 ASN HB2 H 1 3.037 0.030 . 2 . . . . 71 ASN HB2 . 11279 1 846 . 1 1 71 71 ASN HB3 H 1 3.088 0.030 . 2 . . . . 71 ASN HB3 . 11279 1 847 . 1 1 71 71 ASN HD21 H 1 7.016 0.030 . 2 . . . . 71 ASN HD21 . 11279 1 848 . 1 1 71 71 ASN HD22 H 1 7.662 0.030 . 2 . . . . 71 ASN HD22 . 11279 1 849 . 1 1 71 71 ASN C C 13 175.315 0.300 . 1 . . . . 71 ASN C . 11279 1 850 . 1 1 71 71 ASN CA C 13 54.743 0.300 . 1 . . . . 71 ASN CA . 11279 1 851 . 1 1 71 71 ASN CB C 13 36.960 0.300 . 1 . . . . 71 ASN CB . 11279 1 852 . 1 1 71 71 ASN N N 15 116.029 0.300 . 1 . . . . 71 ASN N . 11279 1 853 . 1 1 71 71 ASN ND2 N 15 114.226 0.300 . 1 . . . . 71 ASN ND2 . 11279 1 854 . 1 1 72 72 SER H H 1 7.947 0.030 . 1 . . . . 72 SER H . 11279 1 855 . 1 1 72 72 SER HA H 1 4.589 0.030 . 1 . . . . 72 SER HA . 11279 1 856 . 1 1 72 72 SER HB2 H 1 3.710 0.030 . 2 . . . . 72 SER HB2 . 11279 1 857 . 1 1 72 72 SER HB3 H 1 3.788 0.030 . 2 . . . . 72 SER HB3 . 11279 1 858 . 1 1 72 72 SER C C 13 171.777 0.300 . 1 . . . . 72 SER C . 11279 1 859 . 1 1 72 72 SER CA C 13 60.971 0.300 . 1 . . . . 72 SER CA . 11279 1 860 . 1 1 72 72 SER CB C 13 64.482 0.300 . 1 . . . . 72 SER CB . 11279 1 861 . 1 1 72 72 SER N N 15 115.890 0.300 . 1 . . . . 72 SER N . 11279 1 862 . 1 1 73 73 LYS H H 1 8.679 0.030 . 1 . . . . 73 LYS H . 11279 1 863 . 1 1 73 73 LYS HA H 1 5.211 0.030 . 1 . . . . 73 LYS HA . 11279 1 864 . 1 1 73 73 LYS HB2 H 1 1.718 0.030 . 2 . . . . 73 LYS HB2 . 11279 1 865 . 1 1 73 73 LYS HB3 H 1 1.798 0.030 . 2 . . . . 73 LYS HB3 . 11279 1 866 . 1 1 73 73 LYS HD2 H 1 1.654 0.030 . 2 . . . . 73 LYS HD2 . 11279 1 867 . 1 1 73 73 LYS HD3 H 1 1.866 0.030 . 2 . . . . 73 LYS HD3 . 11279 1 868 . 1 1 73 73 LYS HE2 H 1 2.978 0.030 . 2 . . . . 73 LYS HE2 . 11279 1 869 . 1 1 73 73 LYS HG2 H 1 1.436 0.030 . 2 . . . . 73 LYS HG2 . 11279 1 870 . 1 1 73 73 LYS HG3 H 1 1.296 0.030 . 2 . . . . 73 LYS HG3 . 11279 1 871 . 1 1 73 73 LYS C C 13 175.315 0.300 . 1 . . . . 73 LYS C . 11279 1 872 . 1 1 73 73 LYS CA C 13 54.919 0.300 . 1 . . . . 73 LYS CA . 11279 1 873 . 1 1 73 73 LYS CB C 13 33.824 0.300 . 1 . . . . 73 LYS CB . 11279 1 874 . 1 1 73 73 LYS CD C 13 29.630 0.300 . 1 . . . . 73 LYS CD . 11279 1 875 . 1 1 73 73 LYS CE C 13 42.212 0.300 . 1 . . . . 73 LYS CE . 11279 1 876 . 1 1 73 73 LYS CG C 13 24.962 0.300 . 1 . . . . 73 LYS CG . 11279 1 877 . 1 1 73 73 LYS N N 15 122.313 0.300 . 1 . . . . 73 LYS N . 11279 1 878 . 1 1 74 74 LEU H H 1 9.106 0.030 . 1 . . . . 74 LEU H . 11279 1 879 . 1 1 74 74 LEU HA H 1 5.111 0.030 . 1 . . . . 74 LEU HA . 11279 1 880 . 1 1 74 74 LEU HB2 H 1 1.532 0.030 . 2 . . . . 74 LEU HB2 . 11279 1 881 . 1 1 74 74 LEU HB3 H 1 1.644 0.030 . 2 . . . . 74 LEU HB3 . 11279 1 882 . 1 1 74 74 LEU HD11 H 1 0.723 0.030 . 1 . . . . 74 LEU HD1 . 11279 1 883 . 1 1 74 74 LEU HD12 H 1 0.723 0.030 . 1 . . . . 74 LEU HD1 . 11279 1 884 . 1 1 74 74 LEU HD13 H 1 0.723 0.030 . 1 . . . . 74 LEU HD1 . 11279 1 885 . 1 1 74 74 LEU HD21 H 1 0.771 0.030 . 1 . . . . 74 LEU HD2 . 11279 1 886 . 1 1 74 74 LEU HD22 H 1 0.771 0.030 . 1 . . . . 74 LEU HD2 . 11279 1 887 . 1 1 74 74 LEU HD23 H 1 0.771 0.030 . 1 . . . . 74 LEU HD2 . 11279 1 888 . 1 1 74 74 LEU HG H 1 1.749 0.030 . 1 . . . . 74 LEU HG . 11279 1 889 . 1 1 74 74 LEU C C 13 175.848 0.300 . 1 . . . . 74 LEU C . 11279 1 890 . 1 1 74 74 LEU CA C 13 53.511 0.300 . 1 . . . . 74 LEU CA . 11279 1 891 . 1 1 74 74 LEU CB C 13 44.428 0.300 . 1 . . . . 74 LEU CB . 11279 1 892 . 1 1 74 74 LEU CD1 C 13 26.094 0.300 . 2 . . . . 74 LEU CD1 . 11279 1 893 . 1 1 74 74 LEU CD2 C 13 25.564 0.300 . 2 . . . . 74 LEU CD2 . 11279 1 894 . 1 1 74 74 LEU CG C 13 28.807 0.300 . 1 . . . . 74 LEU CG . 11279 1 895 . 1 1 74 74 LEU N N 15 124.043 0.300 . 1 . . . . 74 LEU N . 11279 1 896 . 1 1 75 75 ASN H H 1 8.949 0.030 . 1 . . . . 75 ASN H . 11279 1 897 . 1 1 75 75 ASN HA H 1 5.508 0.030 . 1 . . . . 75 ASN HA . 11279 1 898 . 1 1 75 75 ASN HB2 H 1 2.508 0.030 . 2 . . . . 75 ASN HB2 . 11279 1 899 . 1 1 75 75 ASN HB3 H 1 2.785 0.030 . 2 . . . . 75 ASN HB3 . 11279 1 900 . 1 1 75 75 ASN HD21 H 1 6.967 0.030 . 2 . . . . 75 ASN HD21 . 11279 1 901 . 1 1 75 75 ASN HD22 H 1 7.530 0.030 . 2 . . . . 75 ASN HD22 . 11279 1 902 . 1 1 75 75 ASN C C 13 173.110 0.300 . 1 . . . . 75 ASN C . 11279 1 903 . 1 1 75 75 ASN CA C 13 52.878 0.300 . 1 . . . . 75 ASN CA . 11279 1 904 . 1 1 75 75 ASN CB C 13 41.718 0.300 . 1 . . . . 75 ASN CB . 11279 1 905 . 1 1 75 75 ASN N N 15 119.168 0.300 . 1 . . . . 75 ASN N . 11279 1 906 . 1 1 75 75 ASN ND2 N 15 111.587 0.300 . 1 . . . . 75 ASN ND2 . 11279 1 907 . 1 1 76 76 LEU H H 1 8.531 0.030 . 1 . . . . 76 LEU H . 11279 1 908 . 1 1 76 76 LEU HA H 1 5.114 0.030 . 1 . . . . 76 LEU HA . 11279 1 909 . 1 1 76 76 LEU HB2 H 1 0.982 0.030 . 2 . . . . 76 LEU HB2 . 11279 1 910 . 1 1 76 76 LEU HB3 H 1 1.481 0.030 . 2 . . . . 76 LEU HB3 . 11279 1 911 . 1 1 76 76 LEU HD11 H 1 0.740 0.030 . 1 . . . . 76 LEU HD1 . 11279 1 912 . 1 1 76 76 LEU HD12 H 1 0.740 0.030 . 1 . . . . 76 LEU HD1 . 11279 1 913 . 1 1 76 76 LEU HD13 H 1 0.740 0.030 . 1 . . . . 76 LEU HD1 . 11279 1 914 . 1 1 76 76 LEU HD21 H 1 0.628 0.030 . 1 . . . . 76 LEU HD2 . 11279 1 915 . 1 1 76 76 LEU HD22 H 1 0.628 0.030 . 1 . . . . 76 LEU HD2 . 11279 1 916 . 1 1 76 76 LEU HD23 H 1 0.628 0.030 . 1 . . . . 76 LEU HD2 . 11279 1 917 . 1 1 76 76 LEU HG H 1 1.296 0.030 . 1 . . . . 76 LEU HG . 11279 1 918 . 1 1 76 76 LEU C C 13 174.903 0.300 . 1 . . . . 76 LEU C . 11279 1 919 . 1 1 76 76 LEU CA C 13 53.687 0.300 . 1 . . . . 76 LEU CA . 11279 1 920 . 1 1 76 76 LEU CB C 13 44.009 0.300 . 1 . . . . 76 LEU CB . 11279 1 921 . 1 1 76 76 LEU CD1 C 13 24.055 0.300 . 2 . . . . 76 LEU CD1 . 11279 1 922 . 1 1 76 76 LEU CD2 C 13 26.587 0.300 . 2 . . . . 76 LEU CD2 . 11279 1 923 . 1 1 76 76 LEU CG C 13 27.457 0.300 . 1 . . . . 76 LEU CG . 11279 1 924 . 1 1 76 76 LEU N N 15 123.931 0.300 . 1 . . . . 76 LEU N . 11279 1 925 . 1 1 77 77 VAL H H 1 9.299 0.030 . 1 . . . . 77 VAL H . 11279 1 926 . 1 1 77 77 VAL HA H 1 4.242 0.030 . 1 . . . . 77 VAL HA . 11279 1 927 . 1 1 77 77 VAL HB H 1 1.929 0.030 . 1 . . . . 77 VAL HB . 11279 1 928 . 1 1 77 77 VAL HG11 H 1 0.899 0.030 . 1 . . . . 77 VAL HG1 . 11279 1 929 . 1 1 77 77 VAL HG12 H 1 0.899 0.030 . 1 . . . . 77 VAL HG1 . 11279 1 930 . 1 1 77 77 VAL HG13 H 1 0.899 0.030 . 1 . . . . 77 VAL HG1 . 11279 1 931 . 1 1 77 77 VAL HG21 H 1 0.899 0.030 . 1 . . . . 77 VAL HG2 . 11279 1 932 . 1 1 77 77 VAL HG22 H 1 0.899 0.030 . 1 . . . . 77 VAL HG2 . 11279 1 933 . 1 1 77 77 VAL HG23 H 1 0.899 0.030 . 1 . . . . 77 VAL HG2 . 11279 1 934 . 1 1 77 77 VAL C C 13 173.885 0.300 . 1 . . . . 77 VAL C . 11279 1 935 . 1 1 77 77 VAL CA C 13 61.393 0.300 . 1 . . . . 77 VAL CA . 11279 1 936 . 1 1 77 77 VAL CB C 13 34.482 0.300 . 1 . . . . 77 VAL CB . 11279 1 937 . 1 1 77 77 VAL CG1 C 13 21.335 0.300 . 2 . . . . 77 VAL CG1 . 11279 1 938 . 1 1 77 77 VAL CG2 C 13 21.489 0.300 . 2 . . . . 77 VAL CG2 . 11279 1 939 . 1 1 77 77 VAL N N 15 130.099 0.300 . 1 . . . . 77 VAL N . 11279 1 940 . 1 1 78 78 VAL H H 1 8.410 0.030 . 1 . . . . 78 VAL H . 11279 1 941 . 1 1 78 78 VAL HA H 1 4.448 0.030 . 1 . . . . 78 VAL HA . 11279 1 942 . 1 1 78 78 VAL HB H 1 1.979 0.030 . 1 . . . . 78 VAL HB . 11279 1 943 . 1 1 78 78 VAL HG11 H 1 0.890 0.030 . 1 . . . . 78 VAL HG1 . 11279 1 944 . 1 1 78 78 VAL HG12 H 1 0.890 0.030 . 1 . . . . 78 VAL HG1 . 11279 1 945 . 1 1 78 78 VAL HG13 H 1 0.890 0.030 . 1 . . . . 78 VAL HG1 . 11279 1 946 . 1 1 78 78 VAL HG21 H 1 0.893 0.030 . 1 . . . . 78 VAL HG2 . 11279 1 947 . 1 1 78 78 VAL HG22 H 1 0.893 0.030 . 1 . . . . 78 VAL HG2 . 11279 1 948 . 1 1 78 78 VAL HG23 H 1 0.893 0.030 . 1 . . . . 78 VAL HG2 . 11279 1 949 . 1 1 78 78 VAL C C 13 176.478 0.300 . 1 . . . . 78 VAL C . 11279 1 950 . 1 1 78 78 VAL CA C 13 61.850 0.300 . 1 . . . . 78 VAL CA . 11279 1 951 . 1 1 78 78 VAL CB C 13 32.097 0.300 . 1 . . . . 78 VAL CB . 11279 1 952 . 1 1 78 78 VAL CG1 C 13 21.816 0.300 . 2 . . . . 78 VAL CG1 . 11279 1 953 . 1 1 78 78 VAL CG2 C 13 21.490 0.300 . 2 . . . . 78 VAL CG2 . 11279 1 954 . 1 1 78 78 VAL N N 15 125.800 0.300 . 1 . . . . 78 VAL N . 11279 1 955 . 1 1 79 79 LYS H H 1 9.171 0.030 . 1 . . . . 79 LYS H . 11279 1 956 . 1 1 79 79 LYS HA H 1 4.567 0.030 . 1 . . . . 79 LYS HA . 11279 1 957 . 1 1 79 79 LYS HB2 H 1 1.806 0.030 . 2 . . . . 79 LYS HB2 . 11279 1 958 . 1 1 79 79 LYS HB3 H 1 1.600 0.030 . 2 . . . . 79 LYS HB3 . 11279 1 959 . 1 1 79 79 LYS HD2 H 1 1.602 0.030 . 2 . . . . 79 LYS HD2 . 11279 1 960 . 1 1 79 79 LYS HD3 H 1 1.705 0.030 . 2 . . . . 79 LYS HD3 . 11279 1 961 . 1 1 79 79 LYS HE2 H 1 3.109 0.030 . 2 . . . . 79 LYS HE2 . 11279 1 962 . 1 1 79 79 LYS HG2 H 1 1.388 0.030 . 2 . . . . 79 LYS HG2 . 11279 1 963 . 1 1 79 79 LYS C C 13 173.861 0.300 . 1 . . . . 79 LYS C . 11279 1 964 . 1 1 79 79 LYS CA C 13 53.969 0.300 . 1 . . . . 79 LYS CA . 11279 1 965 . 1 1 79 79 LYS CB C 13 32.837 0.300 . 1 . . . . 79 LYS CB . 11279 1 966 . 1 1 79 79 LYS CD C 13 29.271 0.300 . 1 . . . . 79 LYS CD . 11279 1 967 . 1 1 79 79 LYS CE C 13 42.630 0.300 . 1 . . . . 79 LYS CE . 11279 1 968 . 1 1 79 79 LYS CG C 13 24.799 0.300 . 1 . . . . 79 LYS CG . 11279 1 969 . 1 1 79 79 LYS N N 15 130.826 0.300 . 1 . . . . 79 LYS N . 11279 1 970 . 1 1 80 80 PRO HA H 1 4.415 0.030 . 1 . . . . 80 PRO HA . 11279 1 971 . 1 1 80 80 PRO HB2 H 1 1.982 0.030 . 2 . . . . 80 PRO HB2 . 11279 1 972 . 1 1 80 80 PRO HB3 H 1 2.269 0.030 . 2 . . . . 80 PRO HB3 . 11279 1 973 . 1 1 80 80 PRO HD2 H 1 3.670 0.030 . 2 . . . . 80 PRO HD2 . 11279 1 974 . 1 1 80 80 PRO HD3 H 1 3.855 0.030 . 2 . . . . 80 PRO HD3 . 11279 1 975 . 1 1 80 80 PRO HG2 H 1 1.999 0.030 . 2 . . . . 80 PRO HG2 . 11279 1 976 . 1 1 80 80 PRO HG3 H 1 2.036 0.030 . 2 . . . . 80 PRO HG3 . 11279 1 977 . 1 1 80 80 PRO C C 13 176.017 0.300 . 1 . . . . 80 PRO C . 11279 1 978 . 1 1 80 80 PRO CA C 13 62.906 0.300 . 1 . . . . 80 PRO CA . 11279 1 979 . 1 1 80 80 PRO CB C 13 32.015 0.300 . 1 . . . . 80 PRO CB . 11279 1 980 . 1 1 80 80 PRO CD C 13 50.629 0.300 . 1 . . . . 80 PRO CD . 11279 1 981 . 1 1 80 80 PRO CG C 13 27.327 0.300 . 1 . . . . 80 PRO CG . 11279 1 982 . 1 1 81 81 LEU H H 1 7.858 0.030 . 1 . . . . 81 LEU H . 11279 1 983 . 1 1 81 81 LEU HA H 1 4.064 0.030 . 1 . . . . 81 LEU HA . 11279 1 984 . 1 1 81 81 LEU HB2 H 1 1.534 0.030 . 1 . . . . 81 LEU HB2 . 11279 1 985 . 1 1 81 81 LEU HB3 H 1 1.534 0.030 . 1 . . . . 81 LEU HB3 . 11279 1 986 . 1 1 81 81 LEU HD11 H 1 0.833 0.030 . 1 . . . . 81 LEU HD1 . 11279 1 987 . 1 1 81 81 LEU HD12 H 1 0.833 0.030 . 1 . . . . 81 LEU HD1 . 11279 1 988 . 1 1 81 81 LEU HD13 H 1 0.833 0.030 . 1 . . . . 81 LEU HD1 . 11279 1 989 . 1 1 81 81 LEU HD21 H 1 0.877 0.030 . 1 . . . . 81 LEU HD2 . 11279 1 990 . 1 1 81 81 LEU HD22 H 1 0.877 0.030 . 1 . . . . 81 LEU HD2 . 11279 1 991 . 1 1 81 81 LEU HD23 H 1 0.877 0.030 . 1 . . . . 81 LEU HD2 . 11279 1 992 . 1 1 81 81 LEU HG H 1 1.593 0.030 . 1 . . . . 81 LEU HG . 11279 1 993 . 1 1 81 81 LEU C C 13 182.486 0.300 . 1 . . . . 81 LEU C . 11279 1 994 . 1 1 81 81 LEU CA C 13 57.017 0.300 . 1 . . . . 81 LEU CA . 11279 1 995 . 1 1 81 81 LEU CB C 13 43.406 0.300 . 1 . . . . 81 LEU CB . 11279 1 996 . 1 1 81 81 LEU CD1 C 13 23.873 0.300 . 2 . . . . 81 LEU CD1 . 11279 1 997 . 1 1 81 81 LEU CD2 C 13 25.228 0.300 . 2 . . . . 81 LEU CD2 . 11279 1 998 . 1 1 81 81 LEU CG C 13 27.266 0.300 . 1 . . . . 81 LEU CG . 11279 1 999 . 1 1 81 81 LEU N N 15 127.211 0.300 . 1 . . . . 81 LEU N . 11279 1 stop_ save_