data_15478 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15478 _Entry.Title ; 1H and 15N resonance assignment of M7, a computationally-designed artificial protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-09-19 _Entry.Accession_date 2007-09-19 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _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 Claudius Stordeur . . . 15478 2 Roman Dalluege . . . 15478 3 Olaf Birkenmeier . . . 15478 4 Hans Wienk . . . 15478 5 Rainer Rudolph . . . 15478 6 Christian Lange . . . 15478 7 Christian Luecke . . . 15478 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 . 'not applicable' 'not applicable' . 15478 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'artificial fold' . 15478 'de novo protein' . 15478 'tetrapeptide fragment-based protein design' . 15478 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15478 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 111 15478 '1H chemical shifts' 728 15478 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 2 . . 2008-07-28 2007-09-19 update BMRB 'complete entry citation' 15478 1 . . 2008-06-25 2007-09-19 original author 'original release' 15478 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JVF 'BMRB Entry Tracking System' 15478 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15478 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18498106 _Citation.Full_citation . _Citation.Title 'The NMR solution structure of the artificial protein M7 matches the computationally designed model' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full . _Citation.Journal_volume 72 _Citation.Journal_issue 3 _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 1104 _Citation.Page_last 1107 _Citation.Year 2008 _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 Claudius Stordeur . . . 15478 1 2 Roman Dalluege . . . 15478 1 3 Olaf Birkenmeier . . . 15478 1 4 Hans Wienk . . . 15478 1 5 Rainer Rudolph . . . 15478 1 6 Christian Lange . . . 15478 1 7 Christian Luecke . . . 15478 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'artificial fold' 15478 1 'de novo protein' 15478 1 'tetrapeptide fragment-based protein design' 15478 1 stop_ save_ save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 15478 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'A tetrapeptide fragment-based design method results in highly stable artificial proteins' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full . _Citation.Journal_volume 68 _Citation.Journal_issue 4 _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 839 _Citation.Page_last 849 _Citation.Year 2007 _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 Roman Dalluege . . . 15478 2 2 Jan Oschmann . . . 15478 2 3 Olaf Birkenmeier . . . 15478 2 4 Christian Luecke . . . 15478 2 5 Hauke Lilie . . . 15478 2 6 Rainer Rudolph . . . 15478 2 7 Christian Lange . . . 15478 2 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'artificial fold' 15478 2 'de novo protein' 15478 2 'tetrapeptide fragment-based protein design' 15478 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15478 _Assembly.ID 1 _Assembly.Name M7 _Assembly.BMRB_code . _Assembly.Number_of_components . _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 M7 1 $M7 A . yes native no no . . . 15478 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_M7 _Entity.Sf_category entity _Entity.Sf_framecode M7 _Entity.Entry_ID 15478 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name M7 _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 ; GSHMKVDITIKIQRDGQEIE IDIRVSTGKELERALQELEK ALARAGARNVQITISAENDE QAKELLELIARLLQKLGYKD INVRVNGTEVKIEVRV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'The first four residues GSHM represent a cloning artifact; the protein sequence starts at Lys1.' _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 96 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10820.4 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _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 no PDB 2JVF . "Solution Structure Of M7, A Computationally-Designed Artificial Protein" . . . . . 100.00 96 100.00 100.00 6.48e-58 . . . . 15478 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 -3 GLY . 15478 1 2 -2 SER . 15478 1 3 -1 HIS . 15478 1 4 0 MET . 15478 1 5 1 LYS . 15478 1 6 2 VAL . 15478 1 7 3 ASP . 15478 1 8 4 ILE . 15478 1 9 5 THR . 15478 1 10 6 ILE . 15478 1 11 7 LYS . 15478 1 12 8 ILE . 15478 1 13 9 GLN . 15478 1 14 10 ARG . 15478 1 15 11 ASP . 15478 1 16 12 GLY . 15478 1 17 13 GLN . 15478 1 18 14 GLU . 15478 1 19 15 ILE . 15478 1 20 16 GLU . 15478 1 21 17 ILE . 15478 1 22 18 ASP . 15478 1 23 19 ILE . 15478 1 24 20 ARG . 15478 1 25 21 VAL . 15478 1 26 22 SER . 15478 1 27 23 THR . 15478 1 28 24 GLY . 15478 1 29 25 LYS . 15478 1 30 26 GLU . 15478 1 31 27 LEU . 15478 1 32 28 GLU . 15478 1 33 29 ARG . 15478 1 34 30 ALA . 15478 1 35 31 LEU . 15478 1 36 32 GLN . 15478 1 37 33 GLU . 15478 1 38 34 LEU . 15478 1 39 35 GLU . 15478 1 40 36 LYS . 15478 1 41 37 ALA . 15478 1 42 38 LEU . 15478 1 43 39 ALA . 15478 1 44 40 ARG . 15478 1 45 41 ALA . 15478 1 46 42 GLY . 15478 1 47 43 ALA . 15478 1 48 44 ARG . 15478 1 49 45 ASN . 15478 1 50 46 VAL . 15478 1 51 47 GLN . 15478 1 52 48 ILE . 15478 1 53 49 THR . 15478 1 54 50 ILE . 15478 1 55 51 SER . 15478 1 56 52 ALA . 15478 1 57 53 GLU . 15478 1 58 54 ASN . 15478 1 59 55 ASP . 15478 1 60 56 GLU . 15478 1 61 57 GLN . 15478 1 62 58 ALA . 15478 1 63 59 LYS . 15478 1 64 60 GLU . 15478 1 65 61 LEU . 15478 1 66 62 LEU . 15478 1 67 63 GLU . 15478 1 68 64 LEU . 15478 1 69 65 ILE . 15478 1 70 66 ALA . 15478 1 71 67 ARG . 15478 1 72 68 LEU . 15478 1 73 69 LEU . 15478 1 74 70 GLN . 15478 1 75 71 LYS . 15478 1 76 72 LEU . 15478 1 77 73 GLY . 15478 1 78 74 TYR . 15478 1 79 75 LYS . 15478 1 80 76 ASP . 15478 1 81 77 ILE . 15478 1 82 78 ASN . 15478 1 83 79 VAL . 15478 1 84 80 ARG . 15478 1 85 81 VAL . 15478 1 86 82 ASN . 15478 1 87 83 GLY . 15478 1 88 84 THR . 15478 1 89 85 GLU . 15478 1 90 86 VAL . 15478 1 91 87 LYS . 15478 1 92 88 ILE . 15478 1 93 89 GLU . 15478 1 94 90 VAL . 15478 1 95 91 ARG . 15478 1 96 92 VAL . 15478 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 15478 1 . SER 2 2 15478 1 . HIS 3 3 15478 1 . MET 4 4 15478 1 . LYS 5 5 15478 1 . VAL 6 6 15478 1 . ASP 7 7 15478 1 . ILE 8 8 15478 1 . THR 9 9 15478 1 . ILE 10 10 15478 1 . LYS 11 11 15478 1 . ILE 12 12 15478 1 . GLN 13 13 15478 1 . ARG 14 14 15478 1 . ASP 15 15 15478 1 . GLY 16 16 15478 1 . GLN 17 17 15478 1 . GLU 18 18 15478 1 . ILE 19 19 15478 1 . GLU 20 20 15478 1 . ILE 21 21 15478 1 . ASP 22 22 15478 1 . ILE 23 23 15478 1 . ARG 24 24 15478 1 . VAL 25 25 15478 1 . SER 26 26 15478 1 . THR 27 27 15478 1 . GLY 28 28 15478 1 . LYS 29 29 15478 1 . GLU 30 30 15478 1 . LEU 31 31 15478 1 . GLU 32 32 15478 1 . ARG 33 33 15478 1 . ALA 34 34 15478 1 . LEU 35 35 15478 1 . GLN 36 36 15478 1 . GLU 37 37 15478 1 . LEU 38 38 15478 1 . GLU 39 39 15478 1 . LYS 40 40 15478 1 . ALA 41 41 15478 1 . LEU 42 42 15478 1 . ALA 43 43 15478 1 . ARG 44 44 15478 1 . ALA 45 45 15478 1 . GLY 46 46 15478 1 . ALA 47 47 15478 1 . ARG 48 48 15478 1 . ASN 49 49 15478 1 . VAL 50 50 15478 1 . GLN 51 51 15478 1 . ILE 52 52 15478 1 . THR 53 53 15478 1 . ILE 54 54 15478 1 . SER 55 55 15478 1 . ALA 56 56 15478 1 . GLU 57 57 15478 1 . ASN 58 58 15478 1 . ASP 59 59 15478 1 . GLU 60 60 15478 1 . GLN 61 61 15478 1 . ALA 62 62 15478 1 . LYS 63 63 15478 1 . GLU 64 64 15478 1 . LEU 65 65 15478 1 . LEU 66 66 15478 1 . GLU 67 67 15478 1 . LEU 68 68 15478 1 . ILE 69 69 15478 1 . ALA 70 70 15478 1 . ARG 71 71 15478 1 . LEU 72 72 15478 1 . LEU 73 73 15478 1 . GLN 74 74 15478 1 . LYS 75 75 15478 1 . LEU 76 76 15478 1 . GLY 77 77 15478 1 . TYR 78 78 15478 1 . LYS 79 79 15478 1 . ASP 80 80 15478 1 . ILE 81 81 15478 1 . ASN 82 82 15478 1 . VAL 83 83 15478 1 . ARG 84 84 15478 1 . VAL 85 85 15478 1 . ASN 86 86 15478 1 . GLY 87 87 15478 1 . THR 88 88 15478 1 . GLU 89 89 15478 1 . VAL 90 90 15478 1 . LYS 91 91 15478 1 . ILE 92 92 15478 1 . GLU 93 93 15478 1 . VAL 94 94 15478 1 . ARG 95 95 15478 1 . VAL 96 96 15478 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 15478 _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 $M7 . . 'no natural source' . 'not applicable' . . . . . not applicable . . . . . . . . . . . . . . . . . . . . . 15478 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 15478 _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 $M7 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET-28a . . . . . . 15478 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15478 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 M7 'natural abundance' . . 1 $M7 . . 1.0 . . mM . . . . 15478 1 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 15478 1 3 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 15478 1 4 H2O . . . . . . . 95 . . % . . . . 15478 1 5 D2O . . . . . . . 5 . . % . . . . 15478 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15478 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 M7 '[U-98% 15N]' . . 1 $M7 . . 1.3 . . mM . . . . 15478 2 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 15478 2 3 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 15478 2 4 H2O . . . . . . . 95 . . % . . . . 15478 2 5 D2O . . . . . . . 5 . . % . . . . 15478 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15478 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 M7 'natural abundance' . . 1 $M7 . . 1.0 . . mM . . . . 15478 3 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 15478 3 3 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 15478 3 4 D2O . . . . . . . 100 . . % . . . . 15478 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15478 _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' 25 . mM 15478 1 pH 6.5 . pH 15478 1 pressure 1 . atm 15478 1 temperature 298 . K 15478 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 15478 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15478 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15478 1 processing 15478 1 stop_ save_ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 15478 _Software.ID 2 _Software.Name FELIX _Software.Version 2000 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 15478 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15478 2 stop_ save_ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 15478 _Software.ID 3 _Software.Name DYANA _Software.Version 1.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Braun and Wuthrich' . . 15478 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15478 3 stop_ save_ save_DISCOVER _Software.Sf_category software _Software.Sf_framecode DISCOVER _Software.Entry_ID 15478 _Software.ID 4 _Software.Name DISCOVER _Software.Version 2000 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 15478 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15478 4 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 15478 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 15478 _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 DRX . 500 . . . 15478 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 15478 _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 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15478 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15478 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15478 1 4 '3D 1H-15N TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15478 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15478 1 6 '2D 1H-15N HTQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15478 1 7 '2D 1H-1H TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15478 1 8 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15478 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15478 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . 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 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15478 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15478 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15478 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_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 '2D 1H-1H TOCSY' . . . 15478 1 4 '3D 1H-15N TOCSY' . . . 15478 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 2 $Felix . . 15478 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 3 3 HIS HA H 1 5.19 0.01 . 9 . . . . -1 HIS HA . 15478 1 2 . 1 1 3 3 HIS HB2 H 1 3.20 0.01 . 9 . . . . -1 HIS HB2 . 15478 1 3 . 1 1 3 3 HIS HB3 H 1 3.20 0.01 . 9 . . . . -1 HIS HB3 . 15478 1 4 . 1 1 3 3 HIS HD2 H 1 7.15 0.01 . 9 . . . . -1 HIS HD2 . 15478 1 5 . 1 1 3 3 HIS HE1 H 1 8.09 0.01 . 9 . . . . -1 HIS HE1 . 15478 1 6 . 1 1 4 4 MET H H 1 8.14 0.01 . 1 . . . . 0 MET H . 15478 1 7 . 1 1 4 4 MET HA H 1 4.50 0.01 . 1 . . . . 0 MET HA . 15478 1 8 . 1 1 4 4 MET HB2 H 1 1.88 0.01 . 2 . . . . 0 MET HB2 . 15478 1 9 . 1 1 4 4 MET HB3 H 1 1.72 0.01 . 2 . . . . 0 MET HB3 . 15478 1 10 . 1 1 4 4 MET HE1 H 1 1.89 0.01 . 1 . . . . 0 MET HE . 15478 1 11 . 1 1 4 4 MET HE2 H 1 1.89 0.01 . 1 . . . . 0 MET HE . 15478 1 12 . 1 1 4 4 MET HE3 H 1 1.89 0.01 . 1 . . . . 0 MET HE . 15478 1 13 . 1 1 4 4 MET HG2 H 1 2.19 0.01 . 1 . . . . 0 MET HG2 . 15478 1 14 . 1 1 4 4 MET HG3 H 1 2.19 0.01 . 1 . . . . 0 MET HG3 . 15478 1 15 . 1 1 4 4 MET N N 15 122.0 0.1 . 1 . . . . 0 MET N . 15478 1 16 . 1 1 5 5 LYS H H 1 8.28 0.01 . 1 . . . . 1 LYS H . 15478 1 17 . 1 1 5 5 LYS HA H 1 4.64 0.01 . 1 . . . . 1 LYS HA . 15478 1 18 . 1 1 5 5 LYS HB2 H 1 1.77 0.01 . 2 . . . . 1 LYS HB2 . 15478 1 19 . 1 1 5 5 LYS HB3 H 1 1.61 0.01 . 2 . . . . 1 LYS HB3 . 15478 1 20 . 1 1 5 5 LYS HD2 H 1 1.66 0.01 . 1 . . . . 1 LYS HD2 . 15478 1 21 . 1 1 5 5 LYS HD3 H 1 1.66 0.01 . 1 . . . . 1 LYS HD3 . 15478 1 22 . 1 1 5 5 LYS HE2 H 1 2.95 0.01 . 1 . . . . 1 LYS HE2 . 15478 1 23 . 1 1 5 5 LYS HE3 H 1 2.95 0.01 . 1 . . . . 1 LYS HE3 . 15478 1 24 . 1 1 5 5 LYS HG2 H 1 1.36 0.01 . 2 . . . . 1 LYS HG2 . 15478 1 25 . 1 1 5 5 LYS HG3 H 1 1.23 0.01 . 2 . . . . 1 LYS HG3 . 15478 1 26 . 1 1 5 5 LYS N N 15 123.3 0.1 . 1 . . . . 1 LYS N . 15478 1 27 . 1 1 6 6 VAL H H 1 8.22 0.01 . 1 . . . . 2 VAL H . 15478 1 28 . 1 1 6 6 VAL HA H 1 4.75 0.01 . 1 . . . . 2 VAL HA . 15478 1 29 . 1 1 6 6 VAL HB H 1 1.85 0.01 . 1 . . . . 2 VAL HB . 15478 1 30 . 1 1 6 6 VAL HG11 H 1 0.78 0.01 . 1 . . . . 2 VAL HG1 . 15478 1 31 . 1 1 6 6 VAL HG12 H 1 0.78 0.01 . 1 . . . . 2 VAL HG1 . 15478 1 32 . 1 1 6 6 VAL HG13 H 1 0.78 0.01 . 1 . . . . 2 VAL HG1 . 15478 1 33 . 1 1 6 6 VAL HG21 H 1 0.87 0.01 . 1 . . . . 2 VAL HG2 . 15478 1 34 . 1 1 6 6 VAL HG22 H 1 0.87 0.01 . 1 . . . . 2 VAL HG2 . 15478 1 35 . 1 1 6 6 VAL HG23 H 1 0.87 0.01 . 1 . . . . 2 VAL HG2 . 15478 1 36 . 1 1 6 6 VAL N N 15 123.4 0.1 . 1 . . . . 2 VAL N . 15478 1 37 . 1 1 7 7 ASP H H 1 8.45 0.01 . 1 . . . . 3 ASP H . 15478 1 38 . 1 1 7 7 ASP HA H 1 5.53 0.01 . 1 . . . . 3 ASP HA . 15478 1 39 . 1 1 7 7 ASP HB2 H 1 2.70 0.01 . 1 . . . . 3 ASP HB2 . 15478 1 40 . 1 1 7 7 ASP HB3 H 1 2.51 0.01 . 1 . . . . 3 ASP HB3 . 15478 1 41 . 1 1 7 7 ASP N N 15 126.2 0.1 . 1 . . . . 3 ASP N . 15478 1 42 . 1 1 8 8 ILE H H 1 9.27 0.01 . 1 . . . . 4 ILE H . 15478 1 43 . 1 1 8 8 ILE HA H 1 5.03 0.01 . 1 . . . . 4 ILE HA . 15478 1 44 . 1 1 8 8 ILE HB H 1 1.71 0.01 . 1 . . . . 4 ILE HB . 15478 1 45 . 1 1 8 8 ILE HD11 H 1 0.65 0.01 . 1 . . . . 4 ILE HD1 . 15478 1 46 . 1 1 8 8 ILE HD12 H 1 0.65 0.01 . 1 . . . . 4 ILE HD1 . 15478 1 47 . 1 1 8 8 ILE HD13 H 1 0.65 0.01 . 1 . . . . 4 ILE HD1 . 15478 1 48 . 1 1 8 8 ILE HG12 H 1 1.56 0.01 . 1 . . . . 4 ILE HG12 . 15478 1 49 . 1 1 8 8 ILE HG13 H 1 1.56 0.01 . 1 . . . . 4 ILE HG13 . 15478 1 50 . 1 1 8 8 ILE HG21 H 1 0.70 0.01 . 1 . . . . 4 ILE HG2 . 15478 1 51 . 1 1 8 8 ILE HG22 H 1 0.70 0.01 . 1 . . . . 4 ILE HG2 . 15478 1 52 . 1 1 8 8 ILE HG23 H 1 0.70 0.01 . 1 . . . . 4 ILE HG2 . 15478 1 53 . 1 1 8 8 ILE N N 15 124.8 0.1 . 1 . . . . 4 ILE N . 15478 1 54 . 1 1 9 9 THR H H 1 9.07 0.01 . 1 . . . . 5 THR H . 15478 1 55 . 1 1 9 9 THR HA H 1 5.30 0.01 . 1 . . . . 5 THR HA . 15478 1 56 . 1 1 9 9 THR HB H 1 3.94 0.01 . 1 . . . . 5 THR HB . 15478 1 57 . 1 1 9 9 THR HG21 H 1 1.16 0.01 . 1 . . . . 5 THR HG2 . 15478 1 58 . 1 1 9 9 THR HG22 H 1 1.16 0.01 . 1 . . . . 5 THR HG2 . 15478 1 59 . 1 1 9 9 THR HG23 H 1 1.16 0.01 . 1 . . . . 5 THR HG2 . 15478 1 60 . 1 1 9 9 THR N N 15 123.1 0.1 . 1 . . . . 5 THR N . 15478 1 61 . 1 1 10 10 ILE H H 1 9.47 0.01 . 1 . . . . 6 ILE H . 15478 1 62 . 1 1 10 10 ILE HA H 1 4.87 0.01 . 1 . . . . 6 ILE HA . 15478 1 63 . 1 1 10 10 ILE HB H 1 1.78 0.01 . 1 . . . . 6 ILE HB . 15478 1 64 . 1 1 10 10 ILE HD11 H 1 0.87 0.01 . 1 . . . . 6 ILE HD1 . 15478 1 65 . 1 1 10 10 ILE HD12 H 1 0.87 0.01 . 1 . . . . 6 ILE HD1 . 15478 1 66 . 1 1 10 10 ILE HD13 H 1 0.87 0.01 . 1 . . . . 6 ILE HD1 . 15478 1 67 . 1 1 10 10 ILE HG12 H 1 1.51 0.01 . 1 . . . . 6 ILE HG12 . 15478 1 68 . 1 1 10 10 ILE HG13 H 1 1.51 0.01 . 1 . . . . 6 ILE HG13 . 15478 1 69 . 1 1 10 10 ILE HG21 H 1 0.73 0.01 . 1 . . . . 6 ILE HG2 . 15478 1 70 . 1 1 10 10 ILE HG22 H 1 0.73 0.01 . 1 . . . . 6 ILE HG2 . 15478 1 71 . 1 1 10 10 ILE HG23 H 1 0.73 0.01 . 1 . . . . 6 ILE HG2 . 15478 1 72 . 1 1 10 10 ILE N N 15 127.1 0.1 . 1 . . . . 6 ILE N . 15478 1 73 . 1 1 11 11 LYS H H 1 9.24 0.01 . 1 . . . . 7 LYS H . 15478 1 74 . 1 1 11 11 LYS HA H 1 5.42 0.01 . 1 . . . . 7 LYS HA . 15478 1 75 . 1 1 11 11 LYS HB2 H 1 1.65 0.01 . 1 . . . . 7 LYS HB2 . 15478 1 76 . 1 1 11 11 LYS HB3 H 1 1.65 0.01 . 1 . . . . 7 LYS HB3 . 15478 1 77 . 1 1 11 11 LYS HD2 H 1 1.60 0.01 . 1 . . . . 7 LYS HD2 . 15478 1 78 . 1 1 11 11 LYS HD3 H 1 1.60 0.01 . 1 . . . . 7 LYS HD3 . 15478 1 79 . 1 1 11 11 LYS HE2 H 1 2.82 0.01 . 1 . . . . 7 LYS HE2 . 15478 1 80 . 1 1 11 11 LYS HE3 H 1 2.82 0.01 . 1 . . . . 7 LYS HE3 . 15478 1 81 . 1 1 11 11 LYS HG2 H 1 1.35 0.01 . 2 . . . . 7 LYS HG2 . 15478 1 82 . 1 1 11 11 LYS HG3 H 1 1.21 0.01 . 2 . . . . 7 LYS HG3 . 15478 1 83 . 1 1 11 11 LYS N N 15 127.2 0.1 . 1 . . . . 7 LYS N . 15478 1 84 . 1 1 12 12 ILE H H 1 9.27 0.01 . 1 . . . . 8 ILE H . 15478 1 85 . 1 1 12 12 ILE HA H 1 4.67 0.01 . 1 . . . . 8 ILE HA . 15478 1 86 . 1 1 12 12 ILE HB H 1 1.73 0.01 . 1 . . . . 8 ILE HB . 15478 1 87 . 1 1 12 12 ILE HD11 H 1 0.74 0.01 . 1 . . . . 8 ILE HD1 . 15478 1 88 . 1 1 12 12 ILE HD12 H 1 0.74 0.01 . 1 . . . . 8 ILE HD1 . 15478 1 89 . 1 1 12 12 ILE HD13 H 1 0.74 0.01 . 1 . . . . 8 ILE HD1 . 15478 1 90 . 1 1 12 12 ILE HG12 H 1 1.38 0.01 . 1 . . . . 8 ILE HG12 . 15478 1 91 . 1 1 12 12 ILE HG13 H 1 1.38 0.01 . 1 . . . . 8 ILE HG13 . 15478 1 92 . 1 1 12 12 ILE HG21 H 1 0.86 0.01 . 1 . . . . 8 ILE HG2 . 15478 1 93 . 1 1 12 12 ILE HG22 H 1 0.86 0.01 . 1 . . . . 8 ILE HG2 . 15478 1 94 . 1 1 12 12 ILE HG23 H 1 0.86 0.01 . 1 . . . . 8 ILE HG2 . 15478 1 95 . 1 1 12 12 ILE N N 15 125.3 0.1 . 1 . . . . 8 ILE N . 15478 1 96 . 1 1 13 13 GLN H H 1 8.68 0.01 . 1 . . . . 9 GLN H . 15478 1 97 . 1 1 13 13 GLN HA H 1 5.04 0.01 . 1 . . . . 9 GLN HA . 15478 1 98 . 1 1 13 13 GLN HB2 H 1 2.12 0.01 . 2 . . . . 9 GLN HB2 . 15478 1 99 . 1 1 13 13 GLN HB3 H 1 2.06 0.01 . 2 . . . . 9 GLN HB3 . 15478 1 100 . 1 1 13 13 GLN HE21 H 1 7.65 0.01 . 2 . . . . 9 GLN HE21 . 15478 1 101 . 1 1 13 13 GLN HE22 H 1 6.89 0.01 . 2 . . . . 9 GLN HE22 . 15478 1 102 . 1 1 13 13 GLN HG2 H 1 2.38 0.01 . 2 . . . . 9 GLN HG2 . 15478 1 103 . 1 1 13 13 GLN HG3 H 1 2.29 0.01 . 2 . . . . 9 GLN HG3 . 15478 1 104 . 1 1 13 13 GLN N N 15 126.2 0.1 . 1 . . . . 9 GLN N . 15478 1 105 . 1 1 13 13 GLN NE2 N 15 111.8 0.1 . 1 . . . . 9 GLN NE2 . 15478 1 106 . 1 1 14 14 ARG H H 1 8.76 0.01 . 1 . . . . 10 ARG H . 15478 1 107 . 1 1 14 14 ARG HA H 1 4.73 0.01 . 1 . . . . 10 ARG HA . 15478 1 108 . 1 1 14 14 ARG HB2 H 1 1.84 0.01 . 2 . . . . 10 ARG HB2 . 15478 1 109 . 1 1 14 14 ARG HB3 H 1 1.65 0.01 . 2 . . . . 10 ARG HB3 . 15478 1 110 . 1 1 14 14 ARG HD2 H 1 3.15 0.01 . 1 . . . . 10 ARG HD2 . 15478 1 111 . 1 1 14 14 ARG HD3 H 1 3.15 0.01 . 1 . . . . 10 ARG HD3 . 15478 1 112 . 1 1 14 14 ARG HE H 1 7.31 0.01 . 1 . . . . 10 ARG HE . 15478 1 113 . 1 1 14 14 ARG HG2 H 1 1.46 0.01 . 1 . . . . 10 ARG HG2 . 15478 1 114 . 1 1 14 14 ARG HG3 H 1 1.46 0.01 . 1 . . . . 10 ARG HG3 . 15478 1 115 . 1 1 14 14 ARG N N 15 124.9 0.1 . 1 . . . . 10 ARG N . 15478 1 116 . 1 1 14 14 ARG NE N 15 84.2 0.1 . 1 . . . . 10 ARG NE . 15478 1 117 . 1 1 15 15 ASP H H 1 9.09 0.01 . 1 . . . . 11 ASP H . 15478 1 118 . 1 1 15 15 ASP HA H 1 4.41 0.01 . 1 . . . . 11 ASP HA . 15478 1 119 . 1 1 15 15 ASP HB2 H 1 2.85 0.01 . 2 . . . . 11 ASP HB2 . 15478 1 120 . 1 1 15 15 ASP HB3 H 1 2.64 0.01 . 2 . . . . 11 ASP HB3 . 15478 1 121 . 1 1 15 15 ASP N N 15 124.0 0.1 . 1 . . . . 11 ASP N . 15478 1 122 . 1 1 16 16 GLY H H 1 8.69 0.01 . 1 . . . . 12 GLY H . 15478 1 123 . 1 1 16 16 GLY HA2 H 1 4.11 0.01 . 2 . . . . 12 GLY HA2 . 15478 1 124 . 1 1 16 16 GLY HA3 H 1 3.78 0.01 . 2 . . . . 12 GLY HA3 . 15478 1 125 . 1 1 16 16 GLY N N 15 109.1 0.1 . 1 . . . . 12 GLY N . 15478 1 126 . 1 1 17 17 GLN H H 1 7.89 0.01 . 1 . . . . 13 GLN H . 15478 1 127 . 1 1 17 17 GLN HA H 1 4.63 0.01 . 1 . . . . 13 GLN HA . 15478 1 128 . 1 1 17 17 GLN HB2 H 1 1.99 0.01 . 1 . . . . 13 GLN HB2 . 15478 1 129 . 1 1 17 17 GLN HB3 H 1 2.02 0.01 . 1 . . . . 13 GLN HB3 . 15478 1 130 . 1 1 17 17 GLN HE21 H 1 7.55 0.01 . 9 . . . . 13 GLN HE21 . 15478 1 131 . 1 1 17 17 GLN HE22 H 1 6.86 0.01 . 9 . . . . 13 GLN HE22 . 15478 1 132 . 1 1 17 17 GLN HG2 H 1 2.30 0.01 . 2 . . . . 13 GLN HG2 . 15478 1 133 . 1 1 17 17 GLN HG3 H 1 2.27 0.01 . 2 . . . . 13 GLN HG3 . 15478 1 134 . 1 1 17 17 GLN N N 15 119.3 0.1 . 1 . . . . 13 GLN N . 15478 1 135 . 1 1 17 17 GLN NE2 N 15 112.0 0.1 . 9 . . . . 13 GLN NE2 . 15478 1 136 . 1 1 18 18 GLU H H 1 8.66 0.01 . 1 . . . . 14 GLU H . 15478 1 137 . 1 1 18 18 GLU HA H 1 5.04 0.01 . 1 . . . . 14 GLU HA . 15478 1 138 . 1 1 18 18 GLU HB2 H 1 2.00 0.01 . 1 . . . . 14 GLU HB2 . 15478 1 139 . 1 1 18 18 GLU HB3 H 1 2.00 0.01 . 1 . . . . 14 GLU HB3 . 15478 1 140 . 1 1 18 18 GLU HG2 H 1 2.13 0.01 . 2 . . . . 14 GLU HG2 . 15478 1 141 . 1 1 18 18 GLU HG3 H 1 2.05 0.01 . 2 . . . . 14 GLU HG3 . 15478 1 142 . 1 1 18 18 GLU N N 15 123.8 0.1 . 1 . . . . 14 GLU N . 15478 1 143 . 1 1 19 19 ILE H H 1 8.96 0.01 . 1 . . . . 15 ILE H . 15478 1 144 . 1 1 19 19 ILE HA H 1 4.43 0.01 . 1 . . . . 15 ILE HA . 15478 1 145 . 1 1 19 19 ILE HB H 1 1.78 0.01 . 1 . . . . 15 ILE HB . 15478 1 146 . 1 1 19 19 ILE HD11 H 1 0.81 0.01 . 1 . . . . 15 ILE HD1 . 15478 1 147 . 1 1 19 19 ILE HD12 H 1 0.81 0.01 . 1 . . . . 15 ILE HD1 . 15478 1 148 . 1 1 19 19 ILE HD13 H 1 0.81 0.01 . 1 . . . . 15 ILE HD1 . 15478 1 149 . 1 1 19 19 ILE HG12 H 1 1.14 0.01 . 1 . . . . 15 ILE HG12 . 15478 1 150 . 1 1 19 19 ILE HG13 H 1 1.44 0.01 . 1 . . . . 15 ILE HG13 . 15478 1 151 . 1 1 19 19 ILE HG21 H 1 0.86 0.01 . 1 . . . . 15 ILE HG2 . 15478 1 152 . 1 1 19 19 ILE HG22 H 1 0.86 0.01 . 1 . . . . 15 ILE HG2 . 15478 1 153 . 1 1 19 19 ILE HG23 H 1 0.86 0.01 . 1 . . . . 15 ILE HG2 . 15478 1 154 . 1 1 19 19 ILE N N 15 126.0 0.1 . 1 . . . . 15 ILE N . 15478 1 155 . 1 1 20 20 GLU H H 1 8.66 0.01 . 1 . . . . 16 GLU H . 15478 1 156 . 1 1 20 20 GLU HA H 1 5.47 0.01 . 1 . . . . 16 GLU HA . 15478 1 157 . 1 1 20 20 GLU HB2 H 1 1.91 0.01 . 1 . . . . 16 GLU HB2 . 15478 1 158 . 1 1 20 20 GLU HB3 H 1 1.91 0.01 . 1 . . . . 16 GLU HB3 . 15478 1 159 . 1 1 20 20 GLU HG2 H 1 2.06 0.01 . 1 . . . . 16 GLU HG2 . 15478 1 160 . 1 1 20 20 GLU HG3 H 1 2.06 0.01 . 1 . . . . 16 GLU HG3 . 15478 1 161 . 1 1 20 20 GLU N N 15 127.0 0.1 . 1 . . . . 16 GLU N . 15478 1 162 . 1 1 21 21 ILE H H 1 9.26 0.01 . 1 . . . . 17 ILE H . 15478 1 163 . 1 1 21 21 ILE HA H 1 4.28 0.01 . 1 . . . . 17 ILE HA . 15478 1 164 . 1 1 21 21 ILE HB H 1 1.64 0.01 . 1 . . . . 17 ILE HB . 15478 1 165 . 1 1 21 21 ILE HD11 H 1 0.72 0.01 . 1 . . . . 17 ILE HD1 . 15478 1 166 . 1 1 21 21 ILE HD12 H 1 0.72 0.01 . 1 . . . . 17 ILE HD1 . 15478 1 167 . 1 1 21 21 ILE HD13 H 1 0.72 0.01 . 1 . . . . 17 ILE HD1 . 15478 1 168 . 1 1 21 21 ILE HG12 H 1 0.98 0.01 . 1 . . . . 17 ILE HG12 . 15478 1 169 . 1 1 21 21 ILE HG13 H 1 0.98 0.01 . 1 . . . . 17 ILE HG13 . 15478 1 170 . 1 1 21 21 ILE HG21 H 1 0.82 0.01 . 1 . . . . 17 ILE HG2 . 15478 1 171 . 1 1 21 21 ILE HG22 H 1 0.82 0.01 . 1 . . . . 17 ILE HG2 . 15478 1 172 . 1 1 21 21 ILE HG23 H 1 0.82 0.01 . 1 . . . . 17 ILE HG2 . 15478 1 173 . 1 1 21 21 ILE N N 15 127.5 0.1 . 1 . . . . 17 ILE N . 15478 1 174 . 1 1 22 22 ASP H H 1 8.72 0.01 . 1 . . . . 18 ASP H . 15478 1 175 . 1 1 22 22 ASP HA H 1 5.47 0.01 . 1 . . . . 18 ASP HA . 15478 1 176 . 1 1 22 22 ASP HB2 H 1 2.66 0.01 . 2 . . . . 18 ASP HB2 . 15478 1 177 . 1 1 22 22 ASP HB3 H 1 2.57 0.01 . 2 . . . . 18 ASP HB3 . 15478 1 178 . 1 1 22 22 ASP N N 15 127.0 0.1 . 1 . . . . 18 ASP N . 15478 1 179 . 1 1 23 23 ILE H H 1 9.31 0.01 . 1 . . . . 19 ILE H . 15478 1 180 . 1 1 23 23 ILE HA H 1 4.30 0.01 . 1 . . . . 19 ILE HA . 15478 1 181 . 1 1 23 23 ILE HB H 1 1.71 0.01 . 1 . . . . 19 ILE HB . 15478 1 182 . 1 1 23 23 ILE HD11 H 1 0.72 0.01 . 1 . . . . 19 ILE HD1 . 15478 1 183 . 1 1 23 23 ILE HD12 H 1 0.72 0.01 . 1 . . . . 19 ILE HD1 . 15478 1 184 . 1 1 23 23 ILE HD13 H 1 0.72 0.01 . 1 . . . . 19 ILE HD1 . 15478 1 185 . 1 1 23 23 ILE HG12 H 1 0.98 0.01 . 1 . . . . 19 ILE HG12 . 15478 1 186 . 1 1 23 23 ILE HG13 H 1 0.98 0.01 . 1 . . . . 19 ILE HG13 . 15478 1 187 . 1 1 23 23 ILE HG21 H 1 0.82 0.01 . 1 . . . . 19 ILE HG2 . 15478 1 188 . 1 1 23 23 ILE HG22 H 1 0.82 0.01 . 1 . . . . 19 ILE HG2 . 15478 1 189 . 1 1 23 23 ILE HG23 H 1 0.82 0.01 . 1 . . . . 19 ILE HG2 . 15478 1 190 . 1 1 23 23 ILE N N 15 125.0 0.1 . 1 . . . . 19 ILE N . 15478 1 191 . 1 1 24 24 ARG H H 1 8.65 0.01 . 1 . . . . 20 ARG H . 15478 1 192 . 1 1 24 24 ARG HA H 1 5.17 0.01 . 1 . . . . 20 ARG HA . 15478 1 193 . 1 1 24 24 ARG HB2 H 1 1.79 0.01 . 1 . . . . 20 ARG HB2 . 15478 1 194 . 1 1 24 24 ARG HB3 H 1 1.79 0.01 . 1 . . . . 20 ARG HB3 . 15478 1 195 . 1 1 24 24 ARG HD2 H 1 3.13 0.01 . 1 . . . . 20 ARG HD2 . 15478 1 196 . 1 1 24 24 ARG HD3 H 1 3.13 0.01 . 1 . . . . 20 ARG HD3 . 15478 1 197 . 1 1 24 24 ARG HE H 1 8.03 0.01 . 1 . . . . 20 ARG HE . 15478 1 198 . 1 1 24 24 ARG HG2 H 1 1.55 0.01 . 1 . . . . 20 ARG HG2 . 15478 1 199 . 1 1 24 24 ARG HG3 H 1 1.55 0.01 . 1 . . . . 20 ARG HG3 . 15478 1 200 . 1 1 24 24 ARG N N 15 129.0 0.1 . 1 . . . . 20 ARG N . 15478 1 201 . 1 1 24 24 ARG NE N 15 86.0 0.1 . 1 . . . . 20 ARG NE . 15478 1 202 . 1 1 25 25 VAL H H 1 9.01 0.01 . 1 . . . . 21 VAL H . 15478 1 203 . 1 1 25 25 VAL HA H 1 4.37 0.01 . 1 . . . . 21 VAL HA . 15478 1 204 . 1 1 25 25 VAL HB H 1 2.12 0.01 . 1 . . . . 21 VAL HB . 15478 1 205 . 1 1 25 25 VAL HG11 H 1 0.88 0.01 . 1 . . . . 21 VAL HG1 . 15478 1 206 . 1 1 25 25 VAL HG12 H 1 0.88 0.01 . 1 . . . . 21 VAL HG1 . 15478 1 207 . 1 1 25 25 VAL HG13 H 1 0.88 0.01 . 1 . . . . 21 VAL HG1 . 15478 1 208 . 1 1 25 25 VAL HG21 H 1 0.74 0.01 . 1 . . . . 21 VAL HG2 . 15478 1 209 . 1 1 25 25 VAL HG22 H 1 0.74 0.01 . 1 . . . . 21 VAL HG2 . 15478 1 210 . 1 1 25 25 VAL HG23 H 1 0.74 0.01 . 1 . . . . 21 VAL HG2 . 15478 1 211 . 1 1 25 25 VAL N N 15 124.4 0.1 . 1 . . . . 21 VAL N . 15478 1 212 . 1 1 26 26 SER H H 1 9.35 0.01 . 1 . . . . 22 SER H . 15478 1 213 . 1 1 26 26 SER HA H 1 5.20 0.01 . 1 . . . . 22 SER HA . 15478 1 214 . 1 1 26 26 SER HB2 H 1 3.89 0.01 . 1 . . . . 22 SER HB2 . 15478 1 215 . 1 1 26 26 SER HB3 H 1 4.05 0.01 . 1 . . . . 22 SER HB3 . 15478 1 216 . 1 1 26 26 SER N N 15 119.3 0.1 . 1 . . . . 22 SER N . 15478 1 217 . 1 1 27 27 THR H H 1 7.49 0.01 . 1 . . . . 23 THR H . 15478 1 218 . 1 1 27 27 THR HA H 1 4.87 0.01 . 1 . . . . 23 THR HA . 15478 1 219 . 1 1 27 27 THR HB H 1 4.58 0.01 . 9 . . . . 23 THR HB . 15478 1 220 . 1 1 27 27 THR HG21 H 1 1.20 0.01 . 9 . . . . 23 THR HG2 . 15478 1 221 . 1 1 27 27 THR HG22 H 1 1.20 0.01 . 9 . . . . 23 THR HG2 . 15478 1 222 . 1 1 27 27 THR HG23 H 1 1.20 0.01 . 9 . . . . 23 THR HG2 . 15478 1 223 . 1 1 27 27 THR N N 15 111.0 0.1 . 1 . . . . 23 THR N . 15478 1 224 . 1 1 28 28 GLY H H 1 8.94 0.01 . 1 . . . . 24 GLY H . 15478 1 225 . 1 1 28 28 GLY HA2 H 1 4.02 0.01 . 9 . . . . 24 GLY HA2 . 15478 1 226 . 1 1 28 28 GLY HA3 H 1 3.91 0.01 . 9 . . . . 24 GLY HA3 . 15478 1 227 . 1 1 28 28 GLY N N 15 110.1 0.1 . 1 . . . . 24 GLY N . 15478 1 228 . 1 1 29 29 LYS H H 1 8.43 0.01 . 1 . . . . 25 LYS H . 15478 1 229 . 1 1 29 29 LYS HA H 1 4.22 0.01 . 1 . . . . 25 LYS HA . 15478 1 230 . 1 1 29 29 LYS HB2 H 1 1.85 0.01 . 1 . . . . 25 LYS HB2 . 15478 1 231 . 1 1 29 29 LYS HB3 H 1 1.85 0.01 . 1 . . . . 25 LYS HB3 . 15478 1 232 . 1 1 29 29 LYS HD2 H 1 1.69 0.01 . 1 . . . . 25 LYS HD2 . 15478 1 233 . 1 1 29 29 LYS HD3 H 1 1.69 0.01 . 1 . . . . 25 LYS HD3 . 15478 1 234 . 1 1 29 29 LYS HE2 H 1 2.99 0.01 . 1 . . . . 25 LYS HE2 . 15478 1 235 . 1 1 29 29 LYS HE3 H 1 2.99 0.01 . 1 . . . . 25 LYS HE3 . 15478 1 236 . 1 1 29 29 LYS HG2 H 1 1.52 0.01 . 1 . . . . 25 LYS HG2 . 15478 1 237 . 1 1 29 29 LYS HG3 H 1 1.52 0.01 . 1 . . . . 25 LYS HG3 . 15478 1 238 . 1 1 29 29 LYS N N 15 122.9 0.1 . 1 . . . . 25 LYS N . 15478 1 239 . 1 1 30 30 GLU H H 1 7.90 0.01 . 1 . . . . 26 GLU H . 15478 1 240 . 1 1 30 30 GLU HA H 1 4.10 0.01 . 1 . . . . 26 GLU HA . 15478 1 241 . 1 1 30 30 GLU HB2 H 1 2.21 0.01 . 1 . . . . 26 GLU HB2 . 15478 1 242 . 1 1 30 30 GLU HB3 H 1 2.21 0.01 . 1 . . . . 26 GLU HB3 . 15478 1 243 . 1 1 30 30 GLU HG2 H 1 2.38 0.01 . 1 . . . . 26 GLU HG2 . 15478 1 244 . 1 1 30 30 GLU HG3 H 1 2.38 0.01 . 1 . . . . 26 GLU HG3 . 15478 1 245 . 1 1 30 30 GLU N N 15 119.1 0.1 . 1 . . . . 26 GLU N . 15478 1 246 . 1 1 31 31 LEU H H 1 8.09 0.01 . 1 . . . . 27 LEU H . 15478 1 247 . 1 1 31 31 LEU HA H 1 4.03 0.01 . 1 . . . . 27 LEU HA . 15478 1 248 . 1 1 31 31 LEU HB2 H 1 1.48 0.01 . 1 . . . . 27 LEU HB2 . 15478 1 249 . 1 1 31 31 LEU HB3 H 1 1.48 0.01 . 1 . . . . 27 LEU HB3 . 15478 1 250 . 1 1 31 31 LEU HD11 H 1 0.87 0.01 . 1 . . . . 27 LEU HD1 . 15478 1 251 . 1 1 31 31 LEU HD12 H 1 0.87 0.01 . 1 . . . . 27 LEU HD1 . 15478 1 252 . 1 1 31 31 LEU HD13 H 1 0.87 0.01 . 1 . . . . 27 LEU HD1 . 15478 1 253 . 1 1 31 31 LEU HD21 H 1 0.87 0.01 . 1 . . . . 27 LEU HD2 . 15478 1 254 . 1 1 31 31 LEU HD22 H 1 0.87 0.01 . 1 . . . . 27 LEU HD2 . 15478 1 255 . 1 1 31 31 LEU HD23 H 1 0.87 0.01 . 1 . . . . 27 LEU HD2 . 15478 1 256 . 1 1 31 31 LEU HG H 1 1.60 0.01 . 1 . . . . 27 LEU HG . 15478 1 257 . 1 1 31 31 LEU N N 15 123.3 0.1 . 1 . . . . 27 LEU N . 15478 1 258 . 1 1 32 32 GLU H H 1 7.98 0.01 . 1 . . . . 28 GLU H . 15478 1 259 . 1 1 32 32 GLU HA H 1 3.92 0.01 . 1 . . . . 28 GLU HA . 15478 1 260 . 1 1 32 32 GLU HB2 H 1 2.17 0.01 . 1 . . . . 28 GLU HB2 . 15478 1 261 . 1 1 32 32 GLU HB3 H 1 2.17 0.01 . 1 . . . . 28 GLU HB3 . 15478 1 262 . 1 1 32 32 GLU HG2 H 1 2.39 0.01 . 1 . . . . 28 GLU HG2 . 15478 1 263 . 1 1 32 32 GLU HG3 H 1 2.39 0.01 . 1 . . . . 28 GLU HG3 . 15478 1 264 . 1 1 32 32 GLU N N 15 118.9 0.1 . 1 . . . . 28 GLU N . 15478 1 265 . 1 1 33 33 ARG H H 1 7.72 0.01 . 1 . . . . 29 ARG H . 15478 1 266 . 1 1 33 33 ARG HA H 1 4.12 0.01 . 1 . . . . 29 ARG HA . 15478 1 267 . 1 1 33 33 ARG HB2 H 1 1.94 0.01 . 1 . . . . 29 ARG HB2 . 15478 1 268 . 1 1 33 33 ARG HB3 H 1 1.83 0.01 . 1 . . . . 29 ARG HB3 . 15478 1 269 . 1 1 33 33 ARG HD2 H 1 3.21 0.01 . 1 . . . . 29 ARG HD2 . 15478 1 270 . 1 1 33 33 ARG HD3 H 1 3.21 0.01 . 1 . . . . 29 ARG HD3 . 15478 1 271 . 1 1 33 33 ARG HE H 1 7.39 0.01 . 1 . . . . 29 ARG HE . 15478 1 272 . 1 1 33 33 ARG HG2 H 1 1.70 0.01 . 1 . . . . 29 ARG HG2 . 15478 1 273 . 1 1 33 33 ARG HG3 H 1 1.70 0.01 . 1 . . . . 29 ARG HG3 . 15478 1 274 . 1 1 33 33 ARG N N 15 118.8 0.1 . 1 . . . . 29 ARG N . 15478 1 275 . 1 1 33 33 ARG NE N 15 84.7 0.1 . 1 . . . . 29 ARG NE . 15478 1 276 . 1 1 34 34 ALA H H 1 8.30 0.01 . 1 . . . . 30 ALA H . 15478 1 277 . 1 1 34 34 ALA HA H 1 4.07 0.01 . 1 . . . . 30 ALA HA . 15478 1 278 . 1 1 34 34 ALA HB1 H 1 1.45 0.01 . 1 . . . . 30 ALA HB . 15478 1 279 . 1 1 34 34 ALA HB2 H 1 1.45 0.01 . 1 . . . . 30 ALA HB . 15478 1 280 . 1 1 34 34 ALA HB3 H 1 1.45 0.01 . 1 . . . . 30 ALA HB . 15478 1 281 . 1 1 34 34 ALA N N 15 122.8 0.1 . 1 . . . . 30 ALA N . 15478 1 282 . 1 1 35 35 LEU H H 1 8.29 0.01 . 1 . . . . 31 LEU H . 15478 1 283 . 1 1 35 35 LEU HA H 1 3.96 0.01 . 1 . . . . 31 LEU HA . 15478 1 284 . 1 1 35 35 LEU HB2 H 1 1.99 0.01 . 1 . . . . 31 LEU HB2 . 15478 1 285 . 1 1 35 35 LEU HB3 H 1 1.99 0.01 . 1 . . . . 31 LEU HB3 . 15478 1 286 . 1 1 35 35 LEU HD11 H 1 0.87 0.01 . 1 . . . . 31 LEU HD1 . 15478 1 287 . 1 1 35 35 LEU HD12 H 1 0.87 0.01 . 1 . . . . 31 LEU HD1 . 15478 1 288 . 1 1 35 35 LEU HD13 H 1 0.87 0.01 . 1 . . . . 31 LEU HD1 . 15478 1 289 . 1 1 35 35 LEU HD21 H 1 0.68 0.01 . 1 . . . . 31 LEU HD2 . 15478 1 290 . 1 1 35 35 LEU HD22 H 1 0.68 0.01 . 1 . . . . 31 LEU HD2 . 15478 1 291 . 1 1 35 35 LEU HD23 H 1 0.68 0.01 . 1 . . . . 31 LEU HD2 . 15478 1 292 . 1 1 35 35 LEU HG H 1 1.88 0.01 . 1 . . . . 31 LEU HG . 15478 1 293 . 1 1 35 35 LEU N N 15 117.0 0.1 . 1 . . . . 31 LEU N . 15478 1 294 . 1 1 36 36 GLN H H 1 7.77 0.01 . 1 . . . . 32 GLN H . 15478 1 295 . 1 1 36 36 GLN HA H 1 4.18 0.01 . 1 . . . . 32 GLN HA . 15478 1 296 . 1 1 36 36 GLN HB2 H 1 2.40 0.01 . 1 . . . . 32 GLN HB2 . 15478 1 297 . 1 1 36 36 GLN HB3 H 1 2.15 0.01 . 1 . . . . 32 GLN HB3 . 15478 1 298 . 1 1 36 36 GLN HE21 H 1 7.52 0.01 . 1 . . . . 32 GLN HE21 . 15478 1 299 . 1 1 36 36 GLN HE22 H 1 6.81 0.01 . 1 . . . . 32 GLN HE22 . 15478 1 300 . 1 1 36 36 GLN HG2 H 1 2.60 0.01 . 2 . . . . 32 GLN HG2 . 15478 1 301 . 1 1 36 36 GLN HG3 H 1 2.42 0.01 . 2 . . . . 32 GLN HG3 . 15478 1 302 . 1 1 36 36 GLN N N 15 120.5 0.1 . 1 . . . . 32 GLN N . 15478 1 303 . 1 1 36 36 GLN NE2 N 15 111.4 0.1 . 1 . . . . 32 GLN NE2 . 15478 1 304 . 1 1 37 37 GLU H H 1 8.34 0.01 . 1 . . . . 33 GLU H . 15478 1 305 . 1 1 37 37 GLU HA H 1 4.03 0.01 . 1 . . . . 33 GLU HA . 15478 1 306 . 1 1 37 37 GLU HB2 H 1 2.15 0.01 . 1 . . . . 33 GLU HB2 . 15478 1 307 . 1 1 37 37 GLU HB3 H 1 2.15 0.01 . 1 . . . . 33 GLU HB3 . 15478 1 308 . 1 1 37 37 GLU HG2 H 1 2.34 0.01 . 1 . . . . 33 GLU HG2 . 15478 1 309 . 1 1 37 37 GLU HG3 H 1 2.34 0.01 . 1 . . . . 33 GLU HG3 . 15478 1 310 . 1 1 37 37 GLU N N 15 120.7 0.1 . 1 . . . . 33 GLU N . 15478 1 311 . 1 1 38 38 LEU H H 1 8.52 0.01 . 1 . . . . 34 LEU H . 15478 1 312 . 1 1 38 38 LEU HA H 1 3.93 0.01 . 1 . . . . 34 LEU HA . 15478 1 313 . 1 1 38 38 LEU HB2 H 1 1.79 0.01 . 1 . . . . 34 LEU HB2 . 15478 1 314 . 1 1 38 38 LEU HB3 H 1 1.60 0.01 . 1 . . . . 34 LEU HB3 . 15478 1 315 . 1 1 38 38 LEU HD11 H 1 0.80 0.01 . 1 . . . . 34 LEU HD1 . 15478 1 316 . 1 1 38 38 LEU HD12 H 1 0.80 0.01 . 1 . . . . 34 LEU HD1 . 15478 1 317 . 1 1 38 38 LEU HD13 H 1 0.80 0.01 . 1 . . . . 34 LEU HD1 . 15478 1 318 . 1 1 38 38 LEU HD21 H 1 0.75 0.01 . 1 . . . . 34 LEU HD2 . 15478 1 319 . 1 1 38 38 LEU HD22 H 1 0.75 0.01 . 1 . . . . 34 LEU HD2 . 15478 1 320 . 1 1 38 38 LEU HD23 H 1 0.75 0.01 . 1 . . . . 34 LEU HD2 . 15478 1 321 . 1 1 38 38 LEU HG H 1 1.58 0.01 . 1 . . . . 34 LEU HG . 15478 1 322 . 1 1 38 38 LEU N N 15 121.9 0.1 . 1 . . . . 34 LEU N . 15478 1 323 . 1 1 39 39 GLU H H 1 8.03 0.01 . 1 . . . . 35 GLU H . 15478 1 324 . 1 1 39 39 GLU HA H 1 3.73 0.01 . 1 . . . . 35 GLU HA . 15478 1 325 . 1 1 39 39 GLU HB2 H 1 2.18 0.01 . 1 . . . . 35 GLU HB2 . 15478 1 326 . 1 1 39 39 GLU HB3 H 1 2.18 0.01 . 1 . . . . 35 GLU HB3 . 15478 1 327 . 1 1 39 39 GLU HG2 H 1 2.33 0.01 . 1 . . . . 35 GLU HG2 . 15478 1 328 . 1 1 39 39 GLU HG3 H 1 2.33 0.01 . 1 . . . . 35 GLU HG3 . 15478 1 329 . 1 1 39 39 GLU N N 15 119.1 0.1 . 1 . . . . 35 GLU N . 15478 1 330 . 1 1 40 40 LYS H H 1 7.77 0.01 . 1 . . . . 36 LYS H . 15478 1 331 . 1 1 40 40 LYS HA H 1 4.01 0.01 . 1 . . . . 36 LYS HA . 15478 1 332 . 1 1 40 40 LYS HB2 H 1 1.87 0.01 . 1 . . . . 36 LYS HB2 . 15478 1 333 . 1 1 40 40 LYS HB3 H 1 1.87 0.01 . 1 . . . . 36 LYS HB3 . 15478 1 334 . 1 1 40 40 LYS HD2 H 1 1.67 0.01 . 1 . . . . 36 LYS HD2 . 15478 1 335 . 1 1 40 40 LYS HD3 H 1 1.67 0.01 . 1 . . . . 36 LYS HD3 . 15478 1 336 . 1 1 40 40 LYS HE2 H 1 2.91 0.01 . 1 . . . . 36 LYS HE2 . 15478 1 337 . 1 1 40 40 LYS HE3 H 1 2.91 0.01 . 1 . . . . 36 LYS HE3 . 15478 1 338 . 1 1 40 40 LYS HG2 H 1 1.41 0.01 . 1 . . . . 36 LYS HG2 . 15478 1 339 . 1 1 40 40 LYS HG3 H 1 1.41 0.01 . 1 . . . . 36 LYS HG3 . 15478 1 340 . 1 1 40 40 LYS N N 15 116.9 0.1 . 1 . . . . 36 LYS N . 15478 1 341 . 1 1 41 41 ALA H H 1 7.96 0.01 . 1 . . . . 37 ALA H . 15478 1 342 . 1 1 41 41 ALA HA H 1 4.08 0.01 . 1 . . . . 37 ALA HA . 15478 1 343 . 1 1 41 41 ALA HB1 H 1 1.39 0.01 . 1 . . . . 37 ALA HB . 15478 1 344 . 1 1 41 41 ALA HB2 H 1 1.39 0.01 . 1 . . . . 37 ALA HB . 15478 1 345 . 1 1 41 41 ALA HB3 H 1 1.39 0.01 . 1 . . . . 37 ALA HB . 15478 1 346 . 1 1 41 41 ALA N N 15 120.7 0.1 . 1 . . . . 37 ALA N . 15478 1 347 . 1 1 42 42 LEU H H 1 8.04 0.01 . 1 . . . . 38 LEU H . 15478 1 348 . 1 1 42 42 LEU HA H 1 4.11 0.01 . 1 . . . . 38 LEU HA . 15478 1 349 . 1 1 42 42 LEU HB2 H 1 1.78 0.01 . 1 . . . . 38 LEU HB2 . 15478 1 350 . 1 1 42 42 LEU HB3 H 1 1.56 0.01 . 9 . . . . 38 LEU HB3 . 15478 1 351 . 1 1 42 42 LEU HD11 H 1 0.58 0.01 . 1 . . . . 38 LEU HD1 . 15478 1 352 . 1 1 42 42 LEU HD12 H 1 0.58 0.01 . 1 . . . . 38 LEU HD1 . 15478 1 353 . 1 1 42 42 LEU HD13 H 1 0.58 0.01 . 1 . . . . 38 LEU HD1 . 15478 1 354 . 1 1 42 42 LEU HD21 H 1 0.58 0.01 . 1 . . . . 38 LEU HD2 . 15478 1 355 . 1 1 42 42 LEU HD22 H 1 0.58 0.01 . 1 . . . . 38 LEU HD2 . 15478 1 356 . 1 1 42 42 LEU HD23 H 1 0.58 0.01 . 1 . . . . 38 LEU HD2 . 15478 1 357 . 1 1 42 42 LEU HG H 1 1.71 0.01 . 1 . . . . 38 LEU HG . 15478 1 358 . 1 1 42 42 LEU N N 15 115.7 0.1 . 1 . . . . 38 LEU N . 15478 1 359 . 1 1 43 43 ALA H H 1 7.95 0.01 . 1 . . . . 39 ALA H . 15478 1 360 . 1 1 43 43 ALA HA H 1 4.26 0.01 . 1 . . . . 39 ALA HA . 15478 1 361 . 1 1 43 43 ALA HB1 H 1 1.51 0.01 . 1 . . . . 39 ALA HB . 15478 1 362 . 1 1 43 43 ALA HB2 H 1 1.51 0.01 . 1 . . . . 39 ALA HB . 15478 1 363 . 1 1 43 43 ALA HB3 H 1 1.51 0.01 . 1 . . . . 39 ALA HB . 15478 1 364 . 1 1 43 43 ALA N N 15 121.7 0.1 . 1 . . . . 39 ALA N . 15478 1 365 . 1 1 44 44 ARG H H 1 7.40 0.01 . 1 . . . . 40 ARG H . 15478 1 366 . 1 1 44 44 ARG HA H 1 4.24 0.01 . 1 . . . . 40 ARG HA . 15478 1 367 . 1 1 44 44 ARG HB2 H 1 1.78 0.01 . 1 . . . . 40 ARG HB2 . 15478 1 368 . 1 1 44 44 ARG HB3 H 1 1.78 0.01 . 1 . . . . 40 ARG HB3 . 15478 1 369 . 1 1 44 44 ARG HD2 H 1 3.22 0.01 . 1 . . . . 40 ARG HD2 . 15478 1 370 . 1 1 44 44 ARG HD3 H 1 3.22 0.01 . 1 . . . . 40 ARG HD3 . 15478 1 371 . 1 1 44 44 ARG HE H 1 7.59 0.01 . 1 . . . . 40 ARG HE . 15478 1 372 . 1 1 44 44 ARG HG2 H 1 1.61 0.01 . 1 . . . . 40 ARG HG2 . 15478 1 373 . 1 1 44 44 ARG HG3 H 1 1.61 0.01 . 1 . . . . 40 ARG HG3 . 15478 1 374 . 1 1 44 44 ARG N N 15 117.7 0.1 . 1 . . . . 40 ARG N . 15478 1 375 . 1 1 44 44 ARG NE N 15 85.0 0.1 . 1 . . . . 40 ARG NE . 15478 1 376 . 1 1 45 45 ALA H H 1 8.31 0.01 . 1 . . . . 41 ALA H . 15478 1 377 . 1 1 45 45 ALA HA H 1 4.77 0.01 . 1 . . . . 41 ALA HA . 15478 1 378 . 1 1 45 45 ALA HB1 H 1 1.44 0.01 . 1 . . . . 41 ALA HB . 15478 1 379 . 1 1 45 45 ALA HB2 H 1 1.44 0.01 . 1 . . . . 41 ALA HB . 15478 1 380 . 1 1 45 45 ALA HB3 H 1 1.44 0.01 . 1 . . . . 41 ALA HB . 15478 1 381 . 1 1 45 45 ALA N N 15 126.0 0.1 . 1 . . . . 41 ALA N . 15478 1 382 . 1 1 46 46 GLY H H 1 8.53 0.01 . 1 . . . . 42 GLY H . 15478 1 383 . 1 1 46 46 GLY HA2 H 1 4.15 0.01 . 1 . . . . 42 GLY HA2 . 15478 1 384 . 1 1 46 46 GLY HA3 H 1 3.78 0.01 . 1 . . . . 42 GLY HA3 . 15478 1 385 . 1 1 46 46 GLY N N 15 108.2 0.1 . 1 . . . . 42 GLY N . 15478 1 386 . 1 1 47 47 ALA H H 1 8.29 0.01 . 1 . . . . 43 ALA H . 15478 1 387 . 1 1 47 47 ALA HA H 1 4.28 0.01 . 1 . . . . 43 ALA HA . 15478 1 388 . 1 1 47 47 ALA HB1 H 1 1.35 0.01 . 1 . . . . 43 ALA HB . 15478 1 389 . 1 1 47 47 ALA HB2 H 1 1.35 0.01 . 1 . . . . 43 ALA HB . 15478 1 390 . 1 1 47 47 ALA HB3 H 1 1.35 0.01 . 1 . . . . 43 ALA HB . 15478 1 391 . 1 1 47 47 ALA N N 15 122.7 0.1 . 1 . . . . 43 ALA N . 15478 1 392 . 1 1 48 48 ARG H H 1 8.79 0.01 . 1 . . . . 44 ARG H . 15478 1 393 . 1 1 48 48 ARG HA H 1 4.65 0.01 . 1 . . . . 44 ARG HA . 15478 1 394 . 1 1 48 48 ARG HB2 H 1 1.97 0.01 . 2 . . . . 44 ARG HB2 . 15478 1 395 . 1 1 48 48 ARG HB3 H 1 1.72 0.01 . 2 . . . . 44 ARG HB3 . 15478 1 396 . 1 1 48 48 ARG HD2 H 1 3.27 0.01 . 2 . . . . 44 ARG HD2 . 15478 1 397 . 1 1 48 48 ARG HD3 H 1 3.24 0.01 . 2 . . . . 44 ARG HD3 . 15478 1 398 . 1 1 48 48 ARG HE H 1 7.46 0.01 . 9 . . . . 44 ARG HE . 15478 1 399 . 1 1 48 48 ARG HG2 H 1 1.80 0.01 . 2 . . . . 44 ARG HG2 . 15478 1 400 . 1 1 48 48 ARG HG3 H 1 1.69 0.01 . 2 . . . . 44 ARG HG3 . 15478 1 401 . 1 1 48 48 ARG N N 15 119.1 0.1 . 1 . . . . 44 ARG N . 15478 1 402 . 1 1 48 48 ARG NE N 15 84.9 0.1 . 9 . . . . 44 ARG NE . 15478 1 403 . 1 1 49 49 ASN H H 1 7.74 0.01 . 1 . . . . 45 ASN H . 15478 1 404 . 1 1 49 49 ASN HA H 1 5.22 0.01 . 1 . . . . 45 ASN HA . 15478 1 405 . 1 1 49 49 ASN HB2 H 1 2.72 0.01 . 1 . . . . 45 ASN HB2 . 15478 1 406 . 1 1 49 49 ASN HB3 H 1 2.72 0.01 . 1 . . . . 45 ASN HB3 . 15478 1 407 . 1 1 49 49 ASN HD21 H 1 7.59 0.01 . 2 . . . . 45 ASN HD21 . 15478 1 408 . 1 1 49 49 ASN HD22 H 1 7.17 0.01 . 2 . . . . 45 ASN HD22 . 15478 1 409 . 1 1 49 49 ASN N N 15 116.5 0.1 . 1 . . . . 45 ASN N . 15478 1 410 . 1 1 49 49 ASN ND2 N 15 112.8 0.1 . 1 . . . . 45 ASN ND2 . 15478 1 411 . 1 1 50 50 VAL H H 1 8.72 0.01 . 1 . . . . 46 VAL H . 15478 1 412 . 1 1 50 50 VAL HA H 1 4.81 0.01 . 1 . . . . 46 VAL HA . 15478 1 413 . 1 1 50 50 VAL HB H 1 1.71 0.01 . 1 . . . . 46 VAL HB . 15478 1 414 . 1 1 50 50 VAL HG11 H 1 0.67 0.01 . 1 . . . . 46 VAL HG1 . 15478 1 415 . 1 1 50 50 VAL HG12 H 1 0.67 0.01 . 1 . . . . 46 VAL HG1 . 15478 1 416 . 1 1 50 50 VAL HG13 H 1 0.67 0.01 . 1 . . . . 46 VAL HG1 . 15478 1 417 . 1 1 50 50 VAL HG21 H 1 0.70 0.01 . 1 . . . . 46 VAL HG2 . 15478 1 418 . 1 1 50 50 VAL HG22 H 1 0.70 0.01 . 1 . . . . 46 VAL HG2 . 15478 1 419 . 1 1 50 50 VAL HG23 H 1 0.70 0.01 . 1 . . . . 46 VAL HG2 . 15478 1 420 . 1 1 50 50 VAL N N 15 123.3 0.1 . 1 . . . . 46 VAL N . 15478 1 421 . 1 1 51 51 GLN H H 1 9.04 0.01 . 1 . . . . 47 GLN H . 15478 1 422 . 1 1 51 51 GLN HA H 1 5.35 0.01 . 1 . . . . 47 GLN HA . 15478 1 423 . 1 1 51 51 GLN HB2 H 1 2.09 0.01 . 2 . . . . 47 GLN HB2 . 15478 1 424 . 1 1 51 51 GLN HB3 H 1 1.99 0.01 . 2 . . . . 47 GLN HB3 . 15478 1 425 . 1 1 51 51 GLN HE21 H 1 7.67 0.01 . 1 . . . . 47 GLN HE21 . 15478 1 426 . 1 1 51 51 GLN HE22 H 1 6.87 0.01 . 1 . . . . 47 GLN HE22 . 15478 1 427 . 1 1 51 51 GLN HG2 H 1 2.16 0.01 . 1 . . . . 47 GLN HG2 . 15478 1 428 . 1 1 51 51 GLN HG3 H 1 2.39 0.01 . 1 . . . . 47 GLN HG3 . 15478 1 429 . 1 1 51 51 GLN N N 15 126.0 0.1 . 1 . . . . 47 GLN N . 15478 1 430 . 1 1 51 51 GLN NE2 N 15 112.1 0.1 . 1 . . . . 47 GLN NE2 . 15478 1 431 . 1 1 52 52 ILE H H 1 9.55 0.01 . 1 . . . . 48 ILE H . 15478 1 432 . 1 1 52 52 ILE HA H 1 5.12 0.01 . 1 . . . . 48 ILE HA . 15478 1 433 . 1 1 52 52 ILE HB H 1 1.64 0.01 . 1 . . . . 48 ILE HB . 15478 1 434 . 1 1 52 52 ILE HD11 H 1 0.68 0.01 . 1 . . . . 48 ILE HD1 . 15478 1 435 . 1 1 52 52 ILE HD12 H 1 0.68 0.01 . 1 . . . . 48 ILE HD1 . 15478 1 436 . 1 1 52 52 ILE HD13 H 1 0.68 0.01 . 1 . . . . 48 ILE HD1 . 15478 1 437 . 1 1 52 52 ILE HG12 H 1 1.49 0.01 . 1 . . . . 48 ILE HG12 . 15478 1 438 . 1 1 52 52 ILE HG13 H 1 1.49 0.01 . 1 . . . . 48 ILE HG13 . 15478 1 439 . 1 1 52 52 ILE HG21 H 1 0.75 0.01 . 1 . . . . 48 ILE HG2 . 15478 1 440 . 1 1 52 52 ILE HG22 H 1 0.75 0.01 . 1 . . . . 48 ILE HG2 . 15478 1 441 . 1 1 52 52 ILE HG23 H 1 0.75 0.01 . 1 . . . . 48 ILE HG2 . 15478 1 442 . 1 1 52 52 ILE N N 15 126.8 0.1 . 1 . . . . 48 ILE N . 15478 1 443 . 1 1 53 53 THR H H 1 9.40 0.01 . 1 . . . . 49 THR H . 15478 1 444 . 1 1 53 53 THR HA H 1 5.30 0.01 . 1 . . . . 49 THR HA . 15478 1 445 . 1 1 53 53 THR HB H 1 4.08 0.01 . 1 . . . . 49 THR HB . 15478 1 446 . 1 1 53 53 THR HG21 H 1 1.12 0.01 . 1 . . . . 49 THR HG2 . 15478 1 447 . 1 1 53 53 THR HG22 H 1 1.12 0.01 . 1 . . . . 49 THR HG2 . 15478 1 448 . 1 1 53 53 THR HG23 H 1 1.12 0.01 . 1 . . . . 49 THR HG2 . 15478 1 449 . 1 1 53 53 THR N N 15 123.5 0.1 . 1 . . . . 49 THR N . 15478 1 450 . 1 1 54 54 ILE H H 1 9.51 0.01 . 1 . . . . 50 ILE H . 15478 1 451 . 1 1 54 54 ILE HA H 1 4.63 0.01 . 1 . . . . 50 ILE HA . 15478 1 452 . 1 1 54 54 ILE HB H 1 1.80 0.01 . 1 . . . . 50 ILE HB . 15478 1 453 . 1 1 54 54 ILE HD11 H 1 0.73 0.01 . 1 . . . . 50 ILE HD1 . 15478 1 454 . 1 1 54 54 ILE HD12 H 1 0.73 0.01 . 1 . . . . 50 ILE HD1 . 15478 1 455 . 1 1 54 54 ILE HD13 H 1 0.73 0.01 . 1 . . . . 50 ILE HD1 . 15478 1 456 . 1 1 54 54 ILE HG12 H 1 1.50 0.01 . 1 . . . . 50 ILE HG12 . 15478 1 457 . 1 1 54 54 ILE HG13 H 1 1.50 0.01 . 1 . . . . 50 ILE HG13 . 15478 1 458 . 1 1 54 54 ILE HG21 H 1 0.81 0.01 . 1 . . . . 50 ILE HG2 . 15478 1 459 . 1 1 54 54 ILE HG22 H 1 0.81 0.01 . 1 . . . . 50 ILE HG2 . 15478 1 460 . 1 1 54 54 ILE HG23 H 1 0.81 0.01 . 1 . . . . 50 ILE HG2 . 15478 1 461 . 1 1 54 54 ILE N N 15 126.8 0.1 . 1 . . . . 50 ILE N . 15478 1 462 . 1 1 55 55 SER H H 1 8.90 0.01 . 1 . . . . 51 SER H . 15478 1 463 . 1 1 55 55 SER HA H 1 5.20 0.01 . 1 . . . . 51 SER HA . 15478 1 464 . 1 1 55 55 SER HB2 H 1 3.97 0.01 . 1 . . . . 51 SER HB2 . 15478 1 465 . 1 1 55 55 SER HB3 H 1 3.78 0.01 . 1 . . . . 51 SER HB3 . 15478 1 466 . 1 1 55 55 SER N N 15 122.1 0.1 . 1 . . . . 51 SER N . 15478 1 467 . 1 1 56 56 ALA H H 1 8.71 0.01 . 1 . . . . 52 ALA H . 15478 1 468 . 1 1 56 56 ALA HA H 1 5.13 0.01 . 1 . . . . 52 ALA HA . 15478 1 469 . 1 1 56 56 ALA HB1 H 1 1.58 0.01 . 1 . . . . 52 ALA HB . 15478 1 470 . 1 1 56 56 ALA HB2 H 1 1.58 0.01 . 1 . . . . 52 ALA HB . 15478 1 471 . 1 1 56 56 ALA HB3 H 1 1.58 0.01 . 1 . . . . 52 ALA HB . 15478 1 472 . 1 1 56 56 ALA N N 15 129.1 0.1 . 1 . . . . 52 ALA N . 15478 1 473 . 1 1 57 57 GLU H H 1 8.51 0.01 . 1 . . . . 53 GLU H . 15478 1 474 . 1 1 57 57 GLU HA H 1 4.23 0.01 . 1 . . . . 53 GLU HA . 15478 1 475 . 1 1 57 57 GLU HB2 H 1 2.11 0.01 . 1 . . . . 53 GLU HB2 . 15478 1 476 . 1 1 57 57 GLU HB3 H 1 2.11 0.01 . 1 . . . . 53 GLU HB3 . 15478 1 477 . 1 1 57 57 GLU HG2 H 1 2.58 0.01 . 1 . . . . 53 GLU HG2 . 15478 1 478 . 1 1 57 57 GLU HG3 H 1 2.32 0.01 . 1 . . . . 53 GLU HG3 . 15478 1 479 . 1 1 57 57 GLU N N 15 116.7 0.1 . 1 . . . . 53 GLU N . 15478 1 480 . 1 1 58 58 ASN H H 1 7.34 0.01 . 1 . . . . 54 ASN H . 15478 1 481 . 1 1 58 58 ASN HA H 1 4.68 0.01 . 1 . . . . 54 ASN HA . 15478 1 482 . 1 1 58 58 ASN HB2 H 1 2.99 0.01 . 1 . . . . 54 ASN HB2 . 15478 1 483 . 1 1 58 58 ASN HB3 H 1 3.09 0.01 . 1 . . . . 54 ASN HB3 . 15478 1 484 . 1 1 58 58 ASN HD21 H 1 7.67 0.01 . 1 . . . . 54 ASN HD21 . 15478 1 485 . 1 1 58 58 ASN HD22 H 1 6.97 0.01 . 1 . . . . 54 ASN HD22 . 15478 1 486 . 1 1 58 58 ASN N N 15 108.7 0.1 . 1 . . . . 54 ASN N . 15478 1 487 . 1 1 58 58 ASN ND2 N 15 114.6 0.1 . 1 . . . . 54 ASN ND2 . 15478 1 488 . 1 1 59 59 ASP H H 1 8.69 0.01 . 1 . . . . 55 ASP H . 15478 1 489 . 1 1 59 59 ASP HA H 1 4.10 0.01 . 1 . . . . 55 ASP HA . 15478 1 490 . 1 1 59 59 ASP HB2 H 1 2.62 0.01 . 1 . . . . 55 ASP HB2 . 15478 1 491 . 1 1 59 59 ASP HB3 H 1 2.62 0.01 . 1 . . . . 55 ASP HB3 . 15478 1 492 . 1 1 59 59 ASP N N 15 120.0 0.1 . 1 . . . . 55 ASP N . 15478 1 493 . 1 1 60 60 GLU H H 1 8.41 0.01 . 1 . . . . 56 GLU H . 15478 1 494 . 1 1 60 60 GLU HA H 1 3.99 0.01 . 1 . . . . 56 GLU HA . 15478 1 495 . 1 1 60 60 GLU HB2 H 1 2.06 0.01 . 1 . . . . 56 GLU HB2 . 15478 1 496 . 1 1 60 60 GLU HB3 H 1 2.06 0.01 . 1 . . . . 56 GLU HB3 . 15478 1 497 . 1 1 60 60 GLU HG2 H 1 2.30 0.01 . 1 . . . . 56 GLU HG2 . 15478 1 498 . 1 1 60 60 GLU HG3 H 1 2.30 0.01 . 1 . . . . 56 GLU HG3 . 15478 1 499 . 1 1 60 60 GLU N N 15 121.9 0.1 . 1 . . . . 56 GLU N . 15478 1 500 . 1 1 61 61 GLN H H 1 8.62 0.01 . 1 . . . . 57 GLN H . 15478 1 501 . 1 1 61 61 GLN HA H 1 4.11 0.01 . 1 . . . . 57 GLN HA . 15478 1 502 . 1 1 61 61 GLN HB2 H 1 2.07 0.01 . 1 . . . . 57 GLN HB2 . 15478 1 503 . 1 1 61 61 GLN HB3 H 1 1.99 0.01 . 1 . . . . 57 GLN HB3 . 15478 1 504 . 1 1 61 61 GLN HE21 H 1 7.47 0.01 . 1 . . . . 57 GLN HE21 . 15478 1 505 . 1 1 61 61 GLN HE22 H 1 7.23 0.01 . 1 . . . . 57 GLN HE22 . 15478 1 506 . 1 1 61 61 GLN HG2 H 1 2.65 0.01 . 2 . . . . 57 GLN HG2 . 15478 1 507 . 1 1 61 61 GLN HG3 H 1 2.24 0.01 . 2 . . . . 57 GLN HG3 . 15478 1 508 . 1 1 61 61 GLN N N 15 121.1 0.1 . 1 . . . . 57 GLN N . 15478 1 509 . 1 1 61 61 GLN NE2 N 15 111.0 0.1 . 1 . . . . 57 GLN NE2 . 15478 1 510 . 1 1 62 62 ALA H H 1 7.62 0.01 . 1 . . . . 58 ALA H . 15478 1 511 . 1 1 62 62 ALA HA H 1 3.71 0.01 . 1 . . . . 58 ALA HA . 15478 1 512 . 1 1 62 62 ALA HB1 H 1 1.39 0.01 . 1 . . . . 58 ALA HB . 15478 1 513 . 1 1 62 62 ALA HB2 H 1 1.39 0.01 . 1 . . . . 58 ALA HB . 15478 1 514 . 1 1 62 62 ALA HB3 H 1 1.39 0.01 . 1 . . . . 58 ALA HB . 15478 1 515 . 1 1 62 62 ALA N N 15 120.3 0.1 . 1 . . . . 58 ALA N . 15478 1 516 . 1 1 63 63 LYS H H 1 7.66 0.01 . 1 . . . . 59 LYS H . 15478 1 517 . 1 1 63 63 LYS HA H 1 3.90 0.01 . 1 . . . . 59 LYS HA . 15478 1 518 . 1 1 63 63 LYS HB2 H 1 1.91 0.01 . 1 . . . . 59 LYS HB2 . 15478 1 519 . 1 1 63 63 LYS HB3 H 1 1.91 0.01 . 1 . . . . 59 LYS HB3 . 15478 1 520 . 1 1 63 63 LYS HD2 H 1 1.66 0.01 . 1 . . . . 59 LYS HD2 . 15478 1 521 . 1 1 63 63 LYS HD3 H 1 1.66 0.01 . 1 . . . . 59 LYS HD3 . 15478 1 522 . 1 1 63 63 LYS HE2 H 1 2.96 0.01 . 1 . . . . 59 LYS HE2 . 15478 1 523 . 1 1 63 63 LYS HE3 H 1 2.96 0.01 . 1 . . . . 59 LYS HE3 . 15478 1 524 . 1 1 63 63 LYS HG2 H 1 1.39 0.01 . 1 . . . . 59 LYS HG2 . 15478 1 525 . 1 1 63 63 LYS HG3 H 1 1.39 0.01 . 1 . . . . 59 LYS HG3 . 15478 1 526 . 1 1 63 63 LYS N N 15 116.5 0.1 . 1 . . . . 59 LYS N . 15478 1 527 . 1 1 64 64 GLU H H 1 8.04 0.01 . 1 . . . . 60 GLU H . 15478 1 528 . 1 1 64 64 GLU HA H 1 4.06 0.01 . 1 . . . . 60 GLU HA . 15478 1 529 . 1 1 64 64 GLU HB2 H 1 2.14 0.01 . 1 . . . . 60 GLU HB2 . 15478 1 530 . 1 1 64 64 GLU HB3 H 1 2.14 0.01 . 1 . . . . 60 GLU HB3 . 15478 1 531 . 1 1 64 64 GLU HG2 H 1 2.38 0.01 . 2 . . . . 60 GLU HG2 . 15478 1 532 . 1 1 64 64 GLU HG3 H 1 2.06 0.01 . 2 . . . . 60 GLU HG3 . 15478 1 533 . 1 1 64 64 GLU N N 15 121.0 0.1 . 1 . . . . 60 GLU N . 15478 1 534 . 1 1 65 65 LEU H H 1 8.24 0.01 . 1 . . . . 61 LEU H . 15478 1 535 . 1 1 65 65 LEU HA H 1 4.06 0.01 . 1 . . . . 61 LEU HA . 15478 1 536 . 1 1 65 65 LEU HB2 H 1 1.94 0.01 . 1 . . . . 61 LEU HB2 . 15478 1 537 . 1 1 65 65 LEU HB3 H 1 1.53 0.01 . 9 . . . . 61 LEU HB3 . 15478 1 538 . 1 1 65 65 LEU HD11 H 1 0.88 0.01 . 1 . . . . 61 LEU HD1 . 15478 1 539 . 1 1 65 65 LEU HD12 H 1 0.88 0.01 . 1 . . . . 61 LEU HD1 . 15478 1 540 . 1 1 65 65 LEU HD13 H 1 0.88 0.01 . 1 . . . . 61 LEU HD1 . 15478 1 541 . 1 1 65 65 LEU HD21 H 1 0.72 0.01 . 1 . . . . 61 LEU HD2 . 15478 1 542 . 1 1 65 65 LEU HD22 H 1 0.72 0.01 . 1 . . . . 61 LEU HD2 . 15478 1 543 . 1 1 65 65 LEU HD23 H 1 0.72 0.01 . 1 . . . . 61 LEU HD2 . 15478 1 544 . 1 1 65 65 LEU HG H 1 1.83 0.01 . 1 . . . . 61 LEU HG . 15478 1 545 . 1 1 65 65 LEU N N 15 120.2 0.1 . 1 . . . . 61 LEU N . 15478 1 546 . 1 1 66 66 LEU H H 1 8.29 0.01 . 1 . . . . 62 LEU H . 15478 1 547 . 1 1 66 66 LEU HA H 1 3.81 0.01 . 1 . . . . 62 LEU HA . 15478 1 548 . 1 1 66 66 LEU HB2 H 1 1.52 0.01 . 1 . . . . 62 LEU HB2 . 15478 1 549 . 1 1 66 66 LEU HB3 H 1 2.14 0.01 . 1 . . . . 62 LEU HB3 . 15478 1 550 . 1 1 66 66 LEU HD11 H 1 0.87 0.01 . 1 . . . . 62 LEU HD1 . 15478 1 551 . 1 1 66 66 LEU HD12 H 1 0.87 0.01 . 1 . . . . 62 LEU HD1 . 15478 1 552 . 1 1 66 66 LEU HD13 H 1 0.87 0.01 . 1 . . . . 62 LEU HD1 . 15478 1 553 . 1 1 66 66 LEU HD21 H 1 0.87 0.01 . 1 . . . . 62 LEU HD2 . 15478 1 554 . 1 1 66 66 LEU HD22 H 1 0.87 0.01 . 1 . . . . 62 LEU HD2 . 15478 1 555 . 1 1 66 66 LEU HD23 H 1 0.87 0.01 . 1 . . . . 62 LEU HD2 . 15478 1 556 . 1 1 66 66 LEU HG H 1 1.60 0.01 . 1 . . . . 62 LEU HG . 15478 1 557 . 1 1 66 66 LEU N N 15 120.5 0.1 . 1 . . . . 62 LEU N . 15478 1 558 . 1 1 67 67 GLU H H 1 7.77 0.01 . 1 . . . . 63 GLU H . 15478 1 559 . 1 1 67 67 GLU HA H 1 3.99 0.01 . 1 . . . . 63 GLU HA . 15478 1 560 . 1 1 67 67 GLU HB2 H 1 2.08 0.01 . 1 . . . . 63 GLU HB2 . 15478 1 561 . 1 1 67 67 GLU HB3 H 1 2.08 0.01 . 1 . . . . 63 GLU HB3 . 15478 1 562 . 1 1 67 67 GLU HG2 H 1 2.28 0.01 . 1 . . . . 63 GLU HG2 . 15478 1 563 . 1 1 67 67 GLU HG3 H 1 2.28 0.01 . 1 . . . . 63 GLU HG3 . 15478 1 564 . 1 1 67 67 GLU N N 15 117.8 0.1 . 1 . . . . 63 GLU N . 15478 1 565 . 1 1 68 68 LEU H H 1 7.70 0.01 . 1 . . . . 64 LEU H . 15478 1 566 . 1 1 68 68 LEU HA H 1 4.02 0.01 . 1 . . . . 64 LEU HA . 15478 1 567 . 1 1 68 68 LEU HB2 H 1 1.83 0.01 . 1 . . . . 64 LEU HB2 . 15478 1 568 . 1 1 68 68 LEU HB3 H 1 1.53 0.01 . 1 . . . . 64 LEU HB3 . 15478 1 569 . 1 1 68 68 LEU HD11 H 1 0.92 0.01 . 1 . . . . 64 LEU HD1 . 15478 1 570 . 1 1 68 68 LEU HD12 H 1 0.92 0.01 . 1 . . . . 64 LEU HD1 . 15478 1 571 . 1 1 68 68 LEU HD13 H 1 0.92 0.01 . 1 . . . . 64 LEU HD1 . 15478 1 572 . 1 1 68 68 LEU HD21 H 1 0.92 0.01 . 1 . . . . 64 LEU HD2 . 15478 1 573 . 1 1 68 68 LEU HD22 H 1 0.92 0.01 . 1 . . . . 64 LEU HD2 . 15478 1 574 . 1 1 68 68 LEU HD23 H 1 0.92 0.01 . 1 . . . . 64 LEU HD2 . 15478 1 575 . 1 1 68 68 LEU HG H 1 1.96 0.01 . 1 . . . . 64 LEU HG . 15478 1 576 . 1 1 68 68 LEU N N 15 118.4 0.1 . 1 . . . . 64 LEU N . 15478 1 577 . 1 1 69 69 ILE H H 1 8.54 0.01 . 1 . . . . 65 ILE H . 15478 1 578 . 1 1 69 69 ILE HA H 1 3.62 0.01 . 1 . . . . 65 ILE HA . 15478 1 579 . 1 1 69 69 ILE HB H 1 1.82 0.01 . 1 . . . . 65 ILE HB . 15478 1 580 . 1 1 69 69 ILE HD11 H 1 0.65 0.01 . 1 . . . . 65 ILE HD1 . 15478 1 581 . 1 1 69 69 ILE HD12 H 1 0.65 0.01 . 1 . . . . 65 ILE HD1 . 15478 1 582 . 1 1 69 69 ILE HD13 H 1 0.65 0.01 . 1 . . . . 65 ILE HD1 . 15478 1 583 . 1 1 69 69 ILE HG12 H 1 0.96 0.01 . 1 . . . . 65 ILE HG12 . 15478 1 584 . 1 1 69 69 ILE HG13 H 1 1.68 0.01 . 1 . . . . 65 ILE HG13 . 15478 1 585 . 1 1 69 69 ILE HG21 H 1 0.72 0.01 . 1 . . . . 65 ILE HG2 . 15478 1 586 . 1 1 69 69 ILE HG22 H 1 0.72 0.01 . 1 . . . . 65 ILE HG2 . 15478 1 587 . 1 1 69 69 ILE HG23 H 1 0.72 0.01 . 1 . . . . 65 ILE HG2 . 15478 1 588 . 1 1 69 69 ILE N N 15 120.1 0.1 . 1 . . . . 65 ILE N . 15478 1 589 . 1 1 70 70 ALA H H 1 9.40 0.01 . 1 . . . . 66 ALA H . 15478 1 590 . 1 1 70 70 ALA HA H 1 3.88 0.01 . 1 . . . . 66 ALA HA . 15478 1 591 . 1 1 70 70 ALA HB1 H 1 1.42 0.01 . 1 . . . . 66 ALA HB . 15478 1 592 . 1 1 70 70 ALA HB2 H 1 1.42 0.01 . 1 . . . . 66 ALA HB . 15478 1 593 . 1 1 70 70 ALA HB3 H 1 1.42 0.01 . 1 . . . . 66 ALA HB . 15478 1 594 . 1 1 70 70 ALA N N 15 124.1 0.1 . 1 . . . . 66 ALA N . 15478 1 595 . 1 1 71 71 ARG H H 1 7.88 0.01 . 1 . . . . 67 ARG H . 15478 1 596 . 1 1 71 71 ARG HA H 1 4.06 0.01 . 1 . . . . 67 ARG HA . 15478 1 597 . 1 1 71 71 ARG HB2 H 1 1.90 0.01 . 1 . . . . 67 ARG HB2 . 15478 1 598 . 1 1 71 71 ARG HB3 H 1 1.90 0.01 . 1 . . . . 67 ARG HB3 . 15478 1 599 . 1 1 71 71 ARG HD2 H 1 3.25 0.01 . 1 . . . . 67 ARG HD2 . 15478 1 600 . 1 1 71 71 ARG HD3 H 1 3.25 0.01 . 1 . . . . 67 ARG HD3 . 15478 1 601 . 1 1 71 71 ARG HE H 1 7.46 0.01 . 9 . . . . 67 ARG HE . 15478 1 602 . 1 1 71 71 ARG HG2 H 1 1.68 0.01 . 1 . . . . 67 ARG HG2 . 15478 1 603 . 1 1 71 71 ARG HG3 H 1 1.88 0.01 . 1 . . . . 67 ARG HG3 . 15478 1 604 . 1 1 71 71 ARG N N 15 117.0 0.1 . 1 . . . . 67 ARG N . 15478 1 605 . 1 1 71 71 ARG NE N 15 84.9 0.1 . 9 . . . . 67 ARG NE . 15478 1 606 . 1 1 72 72 LEU H H 1 7.53 0.01 . 1 . . . . 68 LEU H . 15478 1 607 . 1 1 72 72 LEU HA H 1 4.21 0.01 . 1 . . . . 68 LEU HA . 15478 1 608 . 1 1 72 72 LEU HB2 H 1 1.67 0.01 . 1 . . . . 68 LEU HB2 . 15478 1 609 . 1 1 72 72 LEU HB3 H 1 2.02 0.01 . 1 . . . . 68 LEU HB3 . 15478 1 610 . 1 1 72 72 LEU HD11 H 1 0.95 0.01 . 1 . . . . 68 LEU HD1 . 15478 1 611 . 1 1 72 72 LEU HD12 H 1 0.95 0.01 . 1 . . . . 68 LEU HD1 . 15478 1 612 . 1 1 72 72 LEU HD13 H 1 0.95 0.01 . 1 . . . . 68 LEU HD1 . 15478 1 613 . 1 1 72 72 LEU HD21 H 1 0.84 0.01 . 1 . . . . 68 LEU HD2 . 15478 1 614 . 1 1 72 72 LEU HD22 H 1 0.84 0.01 . 1 . . . . 68 LEU HD2 . 15478 1 615 . 1 1 72 72 LEU HD23 H 1 0.84 0.01 . 1 . . . . 68 LEU HD2 . 15478 1 616 . 1 1 72 72 LEU HG H 1 1.59 0.01 . 1 . . . . 68 LEU HG . 15478 1 617 . 1 1 72 72 LEU N N 15 123.2 0.1 . 1 . . . . 68 LEU N . 15478 1 618 . 1 1 73 73 LEU H H 1 8.59 0.01 . 1 . . . . 69 LEU H . 15478 1 619 . 1 1 73 73 LEU HA H 1 4.00 0.01 . 1 . . . . 69 LEU HA . 15478 1 620 . 1 1 73 73 LEU HB2 H 1 1.88 0.01 . 1 . . . . 69 LEU HB2 . 15478 1 621 . 1 1 73 73 LEU HB3 H 1 1.88 0.01 . 1 . . . . 69 LEU HB3 . 15478 1 622 . 1 1 73 73 LEU HD11 H 1 0.60 0.01 . 1 . . . . 69 LEU HD1 . 15478 1 623 . 1 1 73 73 LEU HD12 H 1 0.60 0.01 . 1 . . . . 69 LEU HD1 . 15478 1 624 . 1 1 73 73 LEU HD13 H 1 0.60 0.01 . 1 . . . . 69 LEU HD1 . 15478 1 625 . 1 1 73 73 LEU HD21 H 1 0.53 0.01 . 1 . . . . 69 LEU HD2 . 15478 1 626 . 1 1 73 73 LEU HD22 H 1 0.53 0.01 . 1 . . . . 69 LEU HD2 . 15478 1 627 . 1 1 73 73 LEU HD23 H 1 0.53 0.01 . 1 . . . . 69 LEU HD2 . 15478 1 628 . 1 1 73 73 LEU HG H 1 1.62 0.01 . 1 . . . . 69 LEU HG . 15478 1 629 . 1 1 73 73 LEU N N 15 118.1 0.1 . 1 . . . . 69 LEU N . 15478 1 630 . 1 1 74 74 GLN H H 1 8.10 0.01 . 1 . . . . 70 GLN H . 15478 1 631 . 1 1 74 74 GLN HA H 1 4.12 0.01 . 1 . . . . 70 GLN HA . 15478 1 632 . 1 1 74 74 GLN HB2 H 1 2.18 0.01 . 1 . . . . 70 GLN HB2 . 15478 1 633 . 1 1 74 74 GLN HB3 H 1 2.18 0.01 . 1 . . . . 70 GLN HB3 . 15478 1 634 . 1 1 74 74 GLN HE21 H 1 7.31 0.01 . 2 . . . . 70 GLN HE21 . 15478 1 635 . 1 1 74 74 GLN HE22 H 1 6.83 0.01 . 2 . . . . 70 GLN HE22 . 15478 1 636 . 1 1 74 74 GLN HG2 H 1 2.38 0.01 . 1 . . . . 70 GLN HG2 . 15478 1 637 . 1 1 74 74 GLN HG3 H 1 2.57 0.01 . 1 . . . . 70 GLN HG3 . 15478 1 638 . 1 1 74 74 GLN N N 15 118.0 0.1 . 1 . . . . 70 GLN N . 15478 1 639 . 1 1 74 74 GLN NE2 N 15 110.8 0.1 . 1 . . . . 70 GLN NE2 . 15478 1 640 . 1 1 75 75 LYS H H 1 8.24 0.01 . 1 . . . . 71 LYS H . 15478 1 641 . 1 1 75 75 LYS HA H 1 4.02 0.01 . 1 . . . . 71 LYS HA . 15478 1 642 . 1 1 75 75 LYS HB2 H 1 2.16 0.01 . 2 . . . . 71 LYS HB2 . 15478 1 643 . 1 1 75 75 LYS HB3 H 1 2.03 0.01 . 2 . . . . 71 LYS HB3 . 15478 1 644 . 1 1 75 75 LYS HD2 H 1 1.60 0.01 . 1 . . . . 71 LYS HD2 . 15478 1 645 . 1 1 75 75 LYS HD3 H 1 1.72 0.01 . 1 . . . . 71 LYS HD3 . 15478 1 646 . 1 1 75 75 LYS HE2 H 1 2.90 0.01 . 1 . . . . 71 LYS HE2 . 15478 1 647 . 1 1 75 75 LYS HE3 H 1 2.90 0.01 . 1 . . . . 71 LYS HE3 . 15478 1 648 . 1 1 75 75 LYS HG2 H 1 1.40 0.01 . 1 . . . . 71 LYS HG2 . 15478 1 649 . 1 1 75 75 LYS HG3 H 1 1.40 0.01 . 1 . . . . 71 LYS HG3 . 15478 1 650 . 1 1 75 75 LYS N N 15 123.9 0.1 . 1 . . . . 71 LYS N . 15478 1 651 . 1 1 76 76 LEU H H 1 7.79 0.01 . 1 . . . . 72 LEU H . 15478 1 652 . 1 1 76 76 LEU HA H 1 4.24 0.01 . 1 . . . . 72 LEU HA . 15478 1 653 . 1 1 76 76 LEU HB2 H 1 1.95 0.01 . 1 . . . . 72 LEU HB2 . 15478 1 654 . 1 1 76 76 LEU HB3 H 1 1.77 0.01 . 9 . . . . 72 LEU HB3 . 15478 1 655 . 1 1 76 76 LEU HD11 H 1 0.93 0.01 . 1 . . . . 72 LEU HD1 . 15478 1 656 . 1 1 76 76 LEU HD12 H 1 0.93 0.01 . 1 . . . . 72 LEU HD1 . 15478 1 657 . 1 1 76 76 LEU HD13 H 1 0.93 0.01 . 1 . . . . 72 LEU HD1 . 15478 1 658 . 1 1 76 76 LEU HD21 H 1 0.93 0.01 . 1 . . . . 72 LEU HD2 . 15478 1 659 . 1 1 76 76 LEU HD22 H 1 0.93 0.01 . 1 . . . . 72 LEU HD2 . 15478 1 660 . 1 1 76 76 LEU HD23 H 1 0.93 0.01 . 1 . . . . 72 LEU HD2 . 15478 1 661 . 1 1 76 76 LEU HG H 1 1.84 0.01 . 1 . . . . 72 LEU HG . 15478 1 662 . 1 1 76 76 LEU N N 15 117.0 0.1 . 1 . . . . 72 LEU N . 15478 1 663 . 1 1 77 77 GLY H H 1 7.71 0.01 . 1 . . . . 73 GLY H . 15478 1 664 . 1 1 77 77 GLY HA2 H 1 3.62 0.01 . 1 . . . . 73 GLY HA2 . 15478 1 665 . 1 1 77 77 GLY HA3 H 1 4.11 0.01 . 1 . . . . 73 GLY HA3 . 15478 1 666 . 1 1 77 77 GLY N N 15 106.1 0.1 . 1 . . . . 73 GLY N . 15478 1 667 . 1 1 78 78 TYR H H 1 7.94 0.01 . 1 . . . . 74 TYR H . 15478 1 668 . 1 1 78 78 TYR HA H 1 4.42 0.01 . 1 . . . . 74 TYR HA . 15478 1 669 . 1 1 78 78 TYR HB2 H 1 2.63 0.01 . 1 . . . . 74 TYR HB2 . 15478 1 670 . 1 1 78 78 TYR HB3 H 1 2.77 0.01 . 1 . . . . 74 TYR HB3 . 15478 1 671 . 1 1 78 78 TYR HD1 H 1 7.14 0.01 . 1 . . . . 74 TYR HD1 . 15478 1 672 . 1 1 78 78 TYR HD2 H 1 7.14 0.01 . 1 . . . . 74 TYR HD2 . 15478 1 673 . 1 1 78 78 TYR HE1 H 1 6.66 0.01 . 1 . . . . 74 TYR HE1 . 15478 1 674 . 1 1 78 78 TYR HE2 H 1 6.66 0.01 . 1 . . . . 74 TYR HE2 . 15478 1 675 . 1 1 78 78 TYR N N 15 120.7 0.1 . 1 . . . . 74 TYR N . 15478 1 676 . 1 1 79 79 LYS H H 1 8.39 0.01 . 1 . . . . 75 LYS H . 15478 1 677 . 1 1 79 79 LYS HA H 1 4.48 0.01 . 1 . . . . 75 LYS HA . 15478 1 678 . 1 1 79 79 LYS HB2 H 1 1.75 0.01 . 1 . . . . 75 LYS HB2 . 15478 1 679 . 1 1 79 79 LYS HB3 H 1 1.88 0.01 . 1 . . . . 75 LYS HB3 . 15478 1 680 . 1 1 79 79 LYS HD2 H 1 1.68 0.01 . 1 . . . . 75 LYS HD2 . 15478 1 681 . 1 1 79 79 LYS HD3 H 1 1.68 0.01 . 1 . . . . 75 LYS HD3 . 15478 1 682 . 1 1 79 79 LYS HE2 H 1 3.00 0.01 . 1 . . . . 75 LYS HE2 . 15478 1 683 . 1 1 79 79 LYS HE3 H 1 3.00 0.01 . 1 . . . . 75 LYS HE3 . 15478 1 684 . 1 1 79 79 LYS HG2 H 1 1.40 0.01 . 1 . . . . 75 LYS HG2 . 15478 1 685 . 1 1 79 79 LYS HG3 H 1 1.40 0.01 . 1 . . . . 75 LYS HG3 . 15478 1 686 . 1 1 79 79 LYS N N 15 120.1 0.1 . 1 . . . . 75 LYS N . 15478 1 687 . 1 1 80 80 ASP H H 1 8.58 0.01 . 1 . . . . 76 ASP H . 15478 1 688 . 1 1 80 80 ASP HA H 1 4.77 0.01 . 1 . . . . 76 ASP HA . 15478 1 689 . 1 1 80 80 ASP HB2 H 1 2.60 0.01 . 1 . . . . 76 ASP HB2 . 15478 1 690 . 1 1 80 80 ASP HB3 H 1 3.09 0.01 . 1 . . . . 76 ASP HB3 . 15478 1 691 . 1 1 80 80 ASP N N 15 122.0 0.1 . 1 . . . . 76 ASP N . 15478 1 692 . 1 1 81 81 ILE H H 1 7.86 0.01 . 1 . . . . 77 ILE H . 15478 1 693 . 1 1 81 81 ILE HA H 1 4.51 0.01 . 1 . . . . 77 ILE HA . 15478 1 694 . 1 1 81 81 ILE HB H 1 1.63 0.01 . 1 . . . . 77 ILE HB . 15478 1 695 . 1 1 81 81 ILE HD11 H 1 0.75 0.01 . 1 . . . . 77 ILE HD1 . 15478 1 696 . 1 1 81 81 ILE HD12 H 1 0.75 0.01 . 1 . . . . 77 ILE HD1 . 15478 1 697 . 1 1 81 81 ILE HD13 H 1 0.75 0.01 . 1 . . . . 77 ILE HD1 . 15478 1 698 . 1 1 81 81 ILE HG12 H 1 1.33 0.01 . 1 . . . . 77 ILE HG12 . 15478 1 699 . 1 1 81 81 ILE HG13 H 1 1.33 0.01 . 1 . . . . 77 ILE HG13 . 15478 1 700 . 1 1 81 81 ILE HG21 H 1 0.67 0.01 . 1 . . . . 77 ILE HG2 . 15478 1 701 . 1 1 81 81 ILE HG22 H 1 0.67 0.01 . 1 . . . . 77 ILE HG2 . 15478 1 702 . 1 1 81 81 ILE HG23 H 1 0.67 0.01 . 1 . . . . 77 ILE HG2 . 15478 1 703 . 1 1 81 81 ILE N N 15 120.8 0.1 . 1 . . . . 77 ILE N . 15478 1 704 . 1 1 82 82 ASN H H 1 8.88 0.01 . 1 . . . . 78 ASN H . 15478 1 705 . 1 1 82 82 ASN HA H 1 5.10 0.01 . 1 . . . . 78 ASN HA . 15478 1 706 . 1 1 82 82 ASN HB2 H 1 2.77 0.01 . 1 . . . . 78 ASN HB2 . 15478 1 707 . 1 1 82 82 ASN HB3 H 1 2.77 0.01 . 1 . . . . 78 ASN HB3 . 15478 1 708 . 1 1 82 82 ASN HD21 H 1 7.57 0.01 . 2 . . . . 78 ASN HD21 . 15478 1 709 . 1 1 82 82 ASN HD22 H 1 6.88 0.01 . 2 . . . . 78 ASN HD22 . 15478 1 710 . 1 1 82 82 ASN N N 15 125.8 0.1 . 1 . . . . 78 ASN N . 15478 1 711 . 1 1 82 82 ASN ND2 N 15 113.1 0.1 . 1 . . . . 78 ASN ND2 . 15478 1 712 . 1 1 83 83 VAL H H 1 8.78 0.01 . 1 . . . . 79 VAL H . 15478 1 713 . 1 1 83 83 VAL HA H 1 4.77 0.01 . 1 . . . . 79 VAL HA . 15478 1 714 . 1 1 83 83 VAL HB H 1 1.91 0.01 . 1 . . . . 79 VAL HB . 15478 1 715 . 1 1 83 83 VAL HG11 H 1 0.81 0.01 . 1 . . . . 79 VAL HG1 . 15478 1 716 . 1 1 83 83 VAL HG12 H 1 0.81 0.01 . 1 . . . . 79 VAL HG1 . 15478 1 717 . 1 1 83 83 VAL HG13 H 1 0.81 0.01 . 1 . . . . 79 VAL HG1 . 15478 1 718 . 1 1 83 83 VAL HG21 H 1 0.84 0.01 . 1 . . . . 79 VAL HG2 . 15478 1 719 . 1 1 83 83 VAL HG22 H 1 0.84 0.01 . 1 . . . . 79 VAL HG2 . 15478 1 720 . 1 1 83 83 VAL HG23 H 1 0.84 0.01 . 1 . . . . 79 VAL HG2 . 15478 1 721 . 1 1 83 83 VAL N N 15 125.2 0.1 . 1 . . . . 79 VAL N . 15478 1 722 . 1 1 84 84 ARG H H 1 9.11 0.01 . 1 . . . . 80 ARG H . 15478 1 723 . 1 1 84 84 ARG HA H 1 4.70 0.01 . 1 . . . . 80 ARG HA . 15478 1 724 . 1 1 84 84 ARG HB2 H 1 1.78 0.01 . 2 . . . . 80 ARG HB2 . 15478 1 725 . 1 1 84 84 ARG HB3 H 1 1.73 0.01 . 2 . . . . 80 ARG HB3 . 15478 1 726 . 1 1 84 84 ARG HD2 H 1 3.18 0.01 . 1 . . . . 80 ARG HD2 . 15478 1 727 . 1 1 84 84 ARG HD3 H 1 3.18 0.01 . 1 . . . . 80 ARG HD3 . 15478 1 728 . 1 1 84 84 ARG HE H 1 7.32 0.01 . 9 . . . . 80 ARG HE . 15478 1 729 . 1 1 84 84 ARG HG2 H 1 1.58 0.01 . 1 . . . . 80 ARG HG2 . 15478 1 730 . 1 1 84 84 ARG HG3 H 1 1.58 0.01 . 1 . . . . 80 ARG HG3 . 15478 1 731 . 1 1 84 84 ARG N N 15 127.8 0.1 . 1 . . . . 80 ARG N . 15478 1 732 . 1 1 84 84 ARG NE N 15 84.8 0.1 . 9 . . . . 80 ARG NE . 15478 1 733 . 1 1 85 85 VAL H H 1 8.91 0.01 . 1 . . . . 81 VAL H . 15478 1 734 . 1 1 85 85 VAL HA H 1 4.42 0.01 . 1 . . . . 81 VAL HA . 15478 1 735 . 1 1 85 85 VAL HB H 1 2.01 0.01 . 1 . . . . 81 VAL HB . 15478 1 736 . 1 1 85 85 VAL HG11 H 1 0.91 0.01 . 1 . . . . 81 VAL HG1 . 15478 1 737 . 1 1 85 85 VAL HG12 H 1 0.91 0.01 . 1 . . . . 81 VAL HG1 . 15478 1 738 . 1 1 85 85 VAL HG13 H 1 0.91 0.01 . 1 . . . . 81 VAL HG1 . 15478 1 739 . 1 1 85 85 VAL HG21 H 1 0.89 0.01 . 1 . . . . 81 VAL HG2 . 15478 1 740 . 1 1 85 85 VAL HG22 H 1 0.89 0.01 . 1 . . . . 81 VAL HG2 . 15478 1 741 . 1 1 85 85 VAL HG23 H 1 0.89 0.01 . 1 . . . . 81 VAL HG2 . 15478 1 742 . 1 1 85 85 VAL N N 15 126.3 0.1 . 1 . . . . 81 VAL N . 15478 1 743 . 1 1 86 86 ASN H H 1 8.99 0.01 . 1 . . . . 82 ASN H . 15478 1 744 . 1 1 86 86 ASN HA H 1 4.99 0.01 . 1 . . . . 82 ASN HA . 15478 1 745 . 1 1 86 86 ASN HB2 H 1 2.58 0.01 . 1 . . . . 82 ASN HB2 . 15478 1 746 . 1 1 86 86 ASN HB3 H 1 2.86 0.01 . 1 . . . . 82 ASN HB3 . 15478 1 747 . 1 1 86 86 ASN HD21 H 1 7.73 0.01 . 2 . . . . 82 ASN HD21 . 15478 1 748 . 1 1 86 86 ASN HD22 H 1 6.77 0.01 . 2 . . . . 82 ASN HD22 . 15478 1 749 . 1 1 86 86 ASN N N 15 127.6 0.1 . 1 . . . . 82 ASN N . 15478 1 750 . 1 1 86 86 ASN ND2 N 15 112.4 0.1 . 1 . . . . 82 ASN ND2 . 15478 1 751 . 1 1 87 87 GLY H H 1 8.85 0.01 . 1 . . . . 83 GLY H . 15478 1 752 . 1 1 87 87 GLY HA2 H 1 3.58 0.01 . 1 . . . . 83 GLY HA2 . 15478 1 753 . 1 1 87 87 GLY HA3 H 1 4.07 0.01 . 1 . . . . 83 GLY HA3 . 15478 1 754 . 1 1 87 87 GLY N N 15 115.5 0.1 . 1 . . . . 83 GLY N . 15478 1 755 . 1 1 88 88 THR H H 1 8.11 0.01 . 1 . . . . 84 THR H . 15478 1 756 . 1 1 88 88 THR HA H 1 3.83 0.01 . 1 . . . . 84 THR HA . 15478 1 757 . 1 1 88 88 THR HB H 1 4.61 0.01 . 1 . . . . 84 THR HB . 15478 1 758 . 1 1 88 88 THR HG21 H 1 0.95 0.01 . 1 . . . . 84 THR HG2 . 15478 1 759 . 1 1 88 88 THR HG22 H 1 0.95 0.01 . 1 . . . . 84 THR HG2 . 15478 1 760 . 1 1 88 88 THR HG23 H 1 0.95 0.01 . 1 . . . . 84 THR HG2 . 15478 1 761 . 1 1 88 88 THR N N 15 117.4 0.1 . 1 . . . . 84 THR N . 15478 1 762 . 1 1 89 89 GLU H H 1 7.68 0.01 . 1 . . . . 85 GLU H . 15478 1 763 . 1 1 89 89 GLU HA H 1 5.44 0.01 . 1 . . . . 85 GLU HA . 15478 1 764 . 1 1 89 89 GLU HB2 H 1 2.01 0.01 . 1 . . . . 85 GLU HB2 . 15478 1 765 . 1 1 89 89 GLU HB3 H 1 2.19 0.01 . 1 . . . . 85 GLU HB3 . 15478 1 766 . 1 1 89 89 GLU HG2 H 1 2.21 0.01 . 1 . . . . 85 GLU HG2 . 15478 1 767 . 1 1 89 89 GLU HG3 H 1 2.21 0.01 . 1 . . . . 85 GLU HG3 . 15478 1 768 . 1 1 89 89 GLU N N 15 121.1 0.1 . 1 . . . . 85 GLU N . 15478 1 769 . 1 1 90 90 VAL H H 1 9.13 0.01 . 1 . . . . 86 VAL H . 15478 1 770 . 1 1 90 90 VAL HA H 1 4.76 0.01 . 1 . . . . 86 VAL HA . 15478 1 771 . 1 1 90 90 VAL HB H 1 1.95 0.01 . 1 . . . . 86 VAL HB . 15478 1 772 . 1 1 90 90 VAL HG11 H 1 0.90 0.01 . 1 . . . . 86 VAL HG1 . 15478 1 773 . 1 1 90 90 VAL HG12 H 1 0.90 0.01 . 1 . . . . 86 VAL HG1 . 15478 1 774 . 1 1 90 90 VAL HG13 H 1 0.90 0.01 . 1 . . . . 86 VAL HG1 . 15478 1 775 . 1 1 90 90 VAL HG21 H 1 0.90 0.01 . 1 . . . . 86 VAL HG2 . 15478 1 776 . 1 1 90 90 VAL HG22 H 1 0.90 0.01 . 1 . . . . 86 VAL HG2 . 15478 1 777 . 1 1 90 90 VAL HG23 H 1 0.90 0.01 . 1 . . . . 86 VAL HG2 . 15478 1 778 . 1 1 90 90 VAL N N 15 125.7 0.1 . 1 . . . . 86 VAL N . 15478 1 779 . 1 1 91 91 LYS H H 1 9.06 0.01 . 1 . . . . 87 LYS H . 15478 1 780 . 1 1 91 91 LYS HA H 1 5.30 0.01 . 1 . . . . 87 LYS HA . 15478 1 781 . 1 1 91 91 LYS HB2 H 1 1.80 0.01 . 1 . . . . 87 LYS HB2 . 15478 1 782 . 1 1 91 91 LYS HB3 H 1 1.70 0.01 . 1 . . . . 87 LYS HB3 . 15478 1 783 . 1 1 91 91 LYS HD2 H 1 1.61 0.01 . 1 . . . . 87 LYS HD2 . 15478 1 784 . 1 1 91 91 LYS HD3 H 1 1.61 0.01 . 1 . . . . 87 LYS HD3 . 15478 1 785 . 1 1 91 91 LYS HE2 H 1 2.87 0.01 . 2 . . . . 87 LYS HE2 . 15478 1 786 . 1 1 91 91 LYS HE3 H 1 2.85 0.01 . 2 . . . . 87 LYS HE3 . 15478 1 787 . 1 1 91 91 LYS HG2 H 1 1.32 0.01 . 1 . . . . 87 LYS HG2 . 15478 1 788 . 1 1 91 91 LYS HG3 H 1 1.39 0.01 . 1 . . . . 87 LYS HG3 . 15478 1 789 . 1 1 91 91 LYS N N 15 127.0 0.1 . 1 . . . . 87 LYS N . 15478 1 790 . 1 1 92 92 ILE H H 1 9.48 0.01 . 1 . . . . 88 ILE H . 15478 1 791 . 1 1 92 92 ILE HA H 1 4.93 0.01 . 1 . . . . 88 ILE HA . 15478 1 792 . 1 1 92 92 ILE HB H 1 1.64 0.01 . 1 . . . . 88 ILE HB . 15478 1 793 . 1 1 92 92 ILE HD11 H 1 0.83 0.01 . 1 . . . . 88 ILE HD1 . 15478 1 794 . 1 1 92 92 ILE HD12 H 1 0.83 0.01 . 1 . . . . 88 ILE HD1 . 15478 1 795 . 1 1 92 92 ILE HD13 H 1 0.83 0.01 . 1 . . . . 88 ILE HD1 . 15478 1 796 . 1 1 92 92 ILE HG12 H 1 1.61 0.01 . 2 . . . . 88 ILE HG12 . 15478 1 797 . 1 1 92 92 ILE HG13 H 1 1.50 0.01 . 9 . . . . 88 ILE HG13 . 15478 1 798 . 1 1 92 92 ILE HG21 H 1 0.61 0.01 . 1 . . . . 88 ILE HG2 . 15478 1 799 . 1 1 92 92 ILE HG22 H 1 0.61 0.01 . 1 . . . . 88 ILE HG2 . 15478 1 800 . 1 1 92 92 ILE HG23 H 1 0.61 0.01 . 1 . . . . 88 ILE HG2 . 15478 1 801 . 1 1 92 92 ILE N N 15 125.6 0.1 . 1 . . . . 88 ILE N . 15478 1 802 . 1 1 93 93 GLU H H 1 9.18 0.01 . 1 . . . . 89 GLU H . 15478 1 803 . 1 1 93 93 GLU HA H 1 5.23 0.01 . 1 . . . . 89 GLU HA . 15478 1 804 . 1 1 93 93 GLU HB2 H 1 1.98 0.01 . 1 . . . . 89 GLU HB2 . 15478 1 805 . 1 1 93 93 GLU HB3 H 1 2.06 0.01 . 1 . . . . 89 GLU HB3 . 15478 1 806 . 1 1 93 93 GLU HG2 H 1 2.27 0.01 . 1 . . . . 89 GLU HG2 . 15478 1 807 . 1 1 93 93 GLU HG3 H 1 2.11 0.01 . 1 . . . . 89 GLU HG3 . 15478 1 808 . 1 1 93 93 GLU N N 15 127.8 0.1 . 1 . . . . 89 GLU N . 15478 1 809 . 1 1 94 94 VAL H H 1 9.01 0.01 . 1 . . . . 90 VAL H . 15478 1 810 . 1 1 94 94 VAL HA H 1 4.64 0.01 . 1 . . . . 90 VAL HA . 15478 1 811 . 1 1 94 94 VAL HB H 1 1.86 0.01 . 1 . . . . 90 VAL HB . 15478 1 812 . 1 1 94 94 VAL HG11 H 1 0.67 0.01 . 1 . . . . 90 VAL HG1 . 15478 1 813 . 1 1 94 94 VAL HG12 H 1 0.67 0.01 . 1 . . . . 90 VAL HG1 . 15478 1 814 . 1 1 94 94 VAL HG13 H 1 0.67 0.01 . 1 . . . . 90 VAL HG1 . 15478 1 815 . 1 1 94 94 VAL HG21 H 1 0.63 0.01 . 1 . . . . 90 VAL HG2 . 15478 1 816 . 1 1 94 94 VAL HG22 H 1 0.63 0.01 . 1 . . . . 90 VAL HG2 . 15478 1 817 . 1 1 94 94 VAL HG23 H 1 0.63 0.01 . 1 . . . . 90 VAL HG2 . 15478 1 818 . 1 1 94 94 VAL N N 15 125.0 0.1 . 1 . . . . 90 VAL N . 15478 1 819 . 1 1 95 95 ARG H H 1 8.41 0.01 . 1 . . . . 91 ARG H . 15478 1 820 . 1 1 95 95 ARG HA H 1 4.89 0.01 . 1 . . . . 91 ARG HA . 15478 1 821 . 1 1 95 95 ARG HB2 H 1 1.81 0.01 . 1 . . . . 91 ARG HB2 . 15478 1 822 . 1 1 95 95 ARG HB3 H 1 1.81 0.01 . 1 . . . . 91 ARG HB3 . 15478 1 823 . 1 1 95 95 ARG HD2 H 1 3.20 0.01 . 1 . . . . 91 ARG HD2 . 15478 1 824 . 1 1 95 95 ARG HD3 H 1 3.20 0.01 . 1 . . . . 91 ARG HD3 . 15478 1 825 . 1 1 95 95 ARG HE H 1 7.27 0.01 . 1 . . . . 91 ARG HE . 15478 1 826 . 1 1 95 95 ARG HG2 H 1 1.91 0.01 . 2 . . . . 91 ARG HG2 . 15478 1 827 . 1 1 95 95 ARG HG3 H 1 1.63 0.01 . 2 . . . . 91 ARG HG3 . 15478 1 828 . 1 1 95 95 ARG N N 15 127.1 0.1 . 1 . . . . 91 ARG N . 15478 1 829 . 1 1 95 95 ARG NE N 15 85.2 0.1 . 1 . . . . 91 ARG NE . 15478 1 830 . 1 1 96 96 VAL H H 1 7.81 0.01 . 1 . . . . 92 VAL H . 15478 1 831 . 1 1 96 96 VAL HA H 1 4.03 0.01 . 1 . . . . 92 VAL HA . 15478 1 832 . 1 1 96 96 VAL HB H 1 2.09 0.01 . 1 . . . . 92 VAL HB . 15478 1 833 . 1 1 96 96 VAL HG11 H 1 0.98 0.01 . 1 . . . . 92 VAL HG1 . 15478 1 834 . 1 1 96 96 VAL HG12 H 1 0.98 0.01 . 1 . . . . 92 VAL HG1 . 15478 1 835 . 1 1 96 96 VAL HG13 H 1 0.98 0.01 . 1 . . . . 92 VAL HG1 . 15478 1 836 . 1 1 96 96 VAL HG21 H 1 0.83 0.01 . 1 . . . . 92 VAL HG2 . 15478 1 837 . 1 1 96 96 VAL HG22 H 1 0.83 0.01 . 1 . . . . 92 VAL HG2 . 15478 1 838 . 1 1 96 96 VAL HG23 H 1 0.83 0.01 . 1 . . . . 92 VAL HG2 . 15478 1 839 . 1 1 96 96 VAL N N 15 127.4 0.1 . 1 . . . . 92 VAL N . 15478 1 stop_ save_