data_16996 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16996 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for human Rad51D from 1 to 83 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-06-11 _Entry.Accession_date 2010-06-11 _Entry.Last_release_date 2011-06-01 _Entry.Original_release_date 2011-06-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _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 Byong-Seok Choi N. . . 16996 2 'Young Mee' Kim . . . 16996 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' . 16996 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Protein . 16996 Rad51D . 16996 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16996 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 333 16996 '15N chemical shifts' 80 16996 '1H chemical shifts' 587 16996 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-06-01 2010-06-11 original author . 16996 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KZ3 'BMRB Entry Tracking System' 16996 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 16996 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21111057 _Citation.Full_citation . _Citation.Title 'Structural and functional characterization of the N-terminal domain of human Rad51D.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Int. J. Biochem. Cell Biol.' _Citation.Journal_name_full 'The international journal of biochemistry & cell biology' _Citation.Journal_volume 43 _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 416 _Citation.Page_last 422 _Citation.Year 2011 _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 'Young Mee' Kim . . . 16996 1 2 Byong-Seok Choi . . . 16996 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16996 _Assembly.ID 1 _Assembly.Name 'human Rad51D N' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'human Rad51D N' 1 $Rad51D A . yes native no no . . . 16996 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Rad51D _Entity.Sf_category entity _Entity.Sf_framecode Rad51D _Entity.Entry_ID 16996 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name human_Rad51D_N _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 ; MGVLRVGLCPGLTEEMIQLL RSHRIKTVVDLVSADLEEVA QKCGLSYKALVALRRVLLAQ FSAFPVNGADLYEELKTSTA ILS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 83 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9070.740 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2KZ3 . "Backbone 1h, 13c, And 15n Chemical Shift Assignments For Human Rad51d From 1 To 83" . . . . . 100.00 83 100.00 100.00 6.72e-51 . . . . 16996 1 2 no DBJ BAA25914 . "Trad [Homo sapiens]" . . . . . 100.00 328 100.00 100.00 1.47e-48 . . . . 16996 1 3 no DBJ BAA31747 . "TRAD-d1 [Homo sapiens]" . . . . . 59.04 49 97.96 100.00 4.72e-25 . . . . 16996 1 4 no DBJ BAA31748 . "TRAD-d2 [Homo sapiens]" . . . . . 59.04 49 97.96 100.00 4.72e-25 . . . . 16996 1 5 no DBJ BAA33779 . "TRAD-d4 [Homo sapiens]" . . . . . 60.24 95 100.00 100.00 4.83e-25 . . . . 16996 1 6 no DBJ BAA33780 . "TRAD-d5 [Homo sapiens]" . . . . . 60.24 68 100.00 100.00 3.52e-25 . . . . 16996 1 7 no EMBL CAA75681 . "R51H3 [Homo sapiens]" . . . . . 100.00 328 100.00 100.00 1.55e-48 . . . . 16996 1 8 no GB AAC39719 . "RAD51D [Homo sapiens]" . . . . . 60.24 289 98.00 98.00 9.23e-24 . . . . 16996 1 9 no GB AAH14422 . "RAD51-like 3 (S. cerevisiae) [Homo sapiens]" . . . . . 100.00 328 100.00 100.00 1.55e-48 . . . . 16996 1 10 no GB AAT38112 . "RAD51-like 3 (S. cerevisiae) [Homo sapiens]" . . . . . 100.00 328 100.00 100.00 1.55e-48 . . . . 16996 1 11 no GB ABM83244 . "RAD51-like 3 (S. cerevisiae) [synthetic construct]" . . . . . 100.00 328 100.00 100.00 1.55e-48 . . . . 16996 1 12 no GB ABM86446 . "RAD51-like 3 (S. cerevisiae) [synthetic construct]" . . . . . 100.00 328 100.00 100.00 1.55e-48 . . . . 16996 1 13 no REF NP_002869 . "DNA repair protein RAD51 homolog 4 isoform 1 [Homo sapiens]" . . . . . 100.00 328 100.00 100.00 1.55e-48 . . . . 16996 1 14 no REF XP_001174459 . "PREDICTED: DNA repair protein RAD51 homolog 4 isoform X2 [Pan troglodytes]" . . . . . 100.00 328 98.80 100.00 4.57e-48 . . . . 16996 1 15 no REF XP_003818041 . "PREDICTED: DNA repair protein RAD51 homolog 4 isoform X1 [Pan paniscus]" . . . . . 100.00 328 98.80 100.00 4.57e-48 . . . . 16996 1 16 no REF XP_004041973 . "PREDICTED: DNA repair protein RAD51 homolog 4-like, partial [Gorilla gorilla gorilla]" . . . . . 69.88 90 98.28 98.28 2.30e-29 . . . . 16996 1 17 no REF XP_008969520 . "PREDICTED: DNA repair protein RAD51 homolog 4 isoform X2 [Pan paniscus]" . . . . . 100.00 283 98.80 100.00 1.52e-48 . . . . 16996 1 18 no SP O75771 . "RecName: Full=DNA repair protein RAD51 homolog 4; AltName: Full=R51H3; AltName: Full=RAD51 homolog D; AltName: Full=RAD51-like " . . . . . 100.00 328 100.00 100.00 1.55e-48 . . . . 16996 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 . MET . 16996 1 2 . GLY . 16996 1 3 . VAL . 16996 1 4 . LEU . 16996 1 5 . ARG . 16996 1 6 . VAL . 16996 1 7 . GLY . 16996 1 8 . LEU . 16996 1 9 . CYS . 16996 1 10 . PRO . 16996 1 11 . GLY . 16996 1 12 . LEU . 16996 1 13 . THR . 16996 1 14 . GLU . 16996 1 15 . GLU . 16996 1 16 . MET . 16996 1 17 . ILE . 16996 1 18 . GLN . 16996 1 19 . LEU . 16996 1 20 . LEU . 16996 1 21 . ARG . 16996 1 22 . SER . 16996 1 23 . HIS . 16996 1 24 . ARG . 16996 1 25 . ILE . 16996 1 26 . LYS . 16996 1 27 . THR . 16996 1 28 . VAL . 16996 1 29 . VAL . 16996 1 30 . ASP . 16996 1 31 . LEU . 16996 1 32 . VAL . 16996 1 33 . SER . 16996 1 34 . ALA . 16996 1 35 . ASP . 16996 1 36 . LEU . 16996 1 37 . GLU . 16996 1 38 . GLU . 16996 1 39 . VAL . 16996 1 40 . ALA . 16996 1 41 . GLN . 16996 1 42 . LYS . 16996 1 43 . CYS . 16996 1 44 . GLY . 16996 1 45 . LEU . 16996 1 46 . SER . 16996 1 47 . TYR . 16996 1 48 . LYS . 16996 1 49 . ALA . 16996 1 50 . LEU . 16996 1 51 . VAL . 16996 1 52 . ALA . 16996 1 53 . LEU . 16996 1 54 . ARG . 16996 1 55 . ARG . 16996 1 56 . VAL . 16996 1 57 . LEU . 16996 1 58 . LEU . 16996 1 59 . ALA . 16996 1 60 . GLN . 16996 1 61 . PHE . 16996 1 62 . SER . 16996 1 63 . ALA . 16996 1 64 . PHE . 16996 1 65 . PRO . 16996 1 66 . VAL . 16996 1 67 . ASN . 16996 1 68 . GLY . 16996 1 69 . ALA . 16996 1 70 . ASP . 16996 1 71 . LEU . 16996 1 72 . TYR . 16996 1 73 . GLU . 16996 1 74 . GLU . 16996 1 75 . LEU . 16996 1 76 . LYS . 16996 1 77 . THR . 16996 1 78 . SER . 16996 1 79 . THR . 16996 1 80 . ALA . 16996 1 81 . ILE . 16996 1 82 . LEU . 16996 1 83 . SER . 16996 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 . MET 1 1 16996 1 . GLY 2 2 16996 1 . VAL 3 3 16996 1 . LEU 4 4 16996 1 . ARG 5 5 16996 1 . VAL 6 6 16996 1 . GLY 7 7 16996 1 . LEU 8 8 16996 1 . CYS 9 9 16996 1 . PRO 10 10 16996 1 . GLY 11 11 16996 1 . LEU 12 12 16996 1 . THR 13 13 16996 1 . GLU 14 14 16996 1 . GLU 15 15 16996 1 . MET 16 16 16996 1 . ILE 17 17 16996 1 . GLN 18 18 16996 1 . LEU 19 19 16996 1 . LEU 20 20 16996 1 . ARG 21 21 16996 1 . SER 22 22 16996 1 . HIS 23 23 16996 1 . ARG 24 24 16996 1 . ILE 25 25 16996 1 . LYS 26 26 16996 1 . THR 27 27 16996 1 . VAL 28 28 16996 1 . VAL 29 29 16996 1 . ASP 30 30 16996 1 . LEU 31 31 16996 1 . VAL 32 32 16996 1 . SER 33 33 16996 1 . ALA 34 34 16996 1 . ASP 35 35 16996 1 . LEU 36 36 16996 1 . GLU 37 37 16996 1 . GLU 38 38 16996 1 . VAL 39 39 16996 1 . ALA 40 40 16996 1 . GLN 41 41 16996 1 . LYS 42 42 16996 1 . CYS 43 43 16996 1 . GLY 44 44 16996 1 . LEU 45 45 16996 1 . SER 46 46 16996 1 . TYR 47 47 16996 1 . LYS 48 48 16996 1 . ALA 49 49 16996 1 . LEU 50 50 16996 1 . VAL 51 51 16996 1 . ALA 52 52 16996 1 . LEU 53 53 16996 1 . ARG 54 54 16996 1 . ARG 55 55 16996 1 . VAL 56 56 16996 1 . LEU 57 57 16996 1 . LEU 58 58 16996 1 . ALA 59 59 16996 1 . GLN 60 60 16996 1 . PHE 61 61 16996 1 . SER 62 62 16996 1 . ALA 63 63 16996 1 . PHE 64 64 16996 1 . PRO 65 65 16996 1 . VAL 66 66 16996 1 . ASN 67 67 16996 1 . GLY 68 68 16996 1 . ALA 69 69 16996 1 . ASP 70 70 16996 1 . LEU 71 71 16996 1 . TYR 72 72 16996 1 . GLU 73 73 16996 1 . GLU 74 74 16996 1 . LEU 75 75 16996 1 . LYS 76 76 16996 1 . THR 77 77 16996 1 . SER 78 78 16996 1 . THR 79 79 16996 1 . ALA 80 80 16996 1 . ILE 81 81 16996 1 . LEU 82 82 16996 1 . SER 83 83 16996 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 16996 _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 $Rad51D . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16996 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 16996 _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 $Rad51D . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-28a . . . . . . 16996 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16996 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'The N-terminal domain of human Rad51D in 25mM Tris-HCl (pH7.5), NaCl 100mM, 1mM DTT and 0.02% Sodium azide' _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 'human Rad51D_N' '[U-100% 15N]' . . 1 $Rad51D . . 1 . . mM . . . . 16996 1 2 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 16996 1 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 16996 1 4 Tris-HCl 'natural abundance' . . . . . . 25 . . mM . . . . 16996 1 5 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 16996 1 6 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16996 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16996 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '[1mM]human Rad51D_N in 25mM Tris-HCl (pH7.5) 100mM NaCl,1mM DTT and 0.02% Sodium azide' _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 'human Rad51D_N' '[U-99% 13C; U-99% 15N]' . . 1 $Rad51D . . 1 . . mM . . . . 16996 2 2 TRIS 'natural abundance' . . . . . . 25 . . mM . . . . 16996 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16996 2 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 16996 2 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 16996 2 6 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16996 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 16996 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N sample' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'human Rad51D_N' '[U-99% 15N]' . . 1 $Rad51D . . 1 . . mM . . . . 16996 3 2 TRIS 'natural abundance' . . . . . . 25 . . mM . . . . 16996 3 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16996 3 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 16996 3 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 16996 3 6 D2O 'natural abundance' . . . . . . 90 . . % . . . . 16996 3 7 H2O 'natural abundance' . . . . . . 10 . . % . . . . 16996 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 16996 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'Tris buffer pH7.5 100mM NaCl, 1mM DTT and 0.02% Sodium azide' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 16996 1 pH 7.5 . pH 16996 1 pressure 1 . atm 16996 1 temperature 287 . K 16996 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16996 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'P.GUNTERT ET AL.' . . 16996 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16996 1 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 16996 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16996 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16996 _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 Varian INOVA . 600 . . . 16996 1 2 spectrometer_2 Bruker Avance . 800 . . . 16996 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 16996 _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-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16996 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16996 1 3 '3D 1H-15N TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16996 1 4 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16996 1 5 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16996 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16996 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16996 1 8 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16996 1 9 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16996 1 10 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16996 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 16996 _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 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 16996 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16996 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16996 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 16996 _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-15N HSQC' . . . 16996 1 4 '3D HCCH-TOCSY' . . . 16996 1 7 '3D HNCACB' . . . 16996 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 1 1 MET H H 1 8.125 0.020 . 1 . . . . 1 MET H . 16996 1 2 . 1 1 1 1 MET HA H 1 4.469 0.020 . 1 . . . . 1 MET HA . 16996 1 3 . 1 1 1 1 MET HB2 H 1 2.146 0.020 . 2 . . . . 1 MET HB2 . 16996 1 4 . 1 1 1 1 MET HB3 H 1 2.015 0.020 . 2 . . . . 1 MET HB3 . 16996 1 5 . 1 1 1 1 MET HE1 H 1 2.045 0.020 . 1 . . . . 1 MET HE . 16996 1 6 . 1 1 1 1 MET HE2 H 1 2.045 0.020 . 1 . . . . 1 MET HE . 16996 1 7 . 1 1 1 1 MET HE3 H 1 2.045 0.020 . 1 . . . . 1 MET HE . 16996 1 8 . 1 1 1 1 MET HG2 H 1 2.578 0.020 . 2 . . . . 1 MET HG2 . 16996 1 9 . 1 1 1 1 MET HG3 H 1 2.394 0.020 . 2 . . . . 1 MET HG3 . 16996 1 10 . 1 1 1 1 MET C C 13 175.630 0.400 . 1 . . . . 1 MET C . 16996 1 11 . 1 1 1 1 MET CA C 13 55.735 0.400 . 1 . . . . 1 MET CA . 16996 1 12 . 1 1 1 1 MET CB C 13 32.636 0.400 . 1 . . . . 1 MET CB . 16996 1 13 . 1 1 1 1 MET CE C 13 17.306 0.400 . 1 . . . . 1 MET CE . 16996 1 14 . 1 1 1 1 MET CG C 13 32.725 0.400 . 1 . . . . 1 MET CG . 16996 1 15 . 1 1 1 1 MET N N 15 118.452 0.400 . 1 . . . . 1 MET N . 16996 1 16 . 1 1 2 2 GLY H H 1 8.156 0.020 . 1 . . . . 2 GLY H . 16996 1 17 . 1 1 2 2 GLY HA2 H 1 3.984 0.020 . 2 . . . . 2 GLY HA2 . 16996 1 18 . 1 1 2 2 GLY HA3 H 1 3.869 0.020 . 2 . . . . 2 GLY HA3 . 16996 1 19 . 1 1 2 2 GLY C C 13 176.336 0.400 . 1 . . . . 2 GLY C . 16996 1 20 . 1 1 2 2 GLY CA C 13 45.591 0.400 . 1 . . . . 2 GLY CA . 16996 1 21 . 1 1 2 2 GLY N N 15 108.430 0.400 . 1 . . . . 2 GLY N . 16996 1 22 . 1 1 3 3 VAL H H 1 7.911 0.020 . 1 . . . . 3 VAL H . 16996 1 23 . 1 1 3 3 VAL HA H 1 4.068 0.020 . 1 . . . . 3 VAL HA . 16996 1 24 . 1 1 3 3 VAL HB H 1 2.106 0.020 . 1 . . . . 3 VAL HB . 16996 1 25 . 1 1 3 3 VAL HG11 H 1 1.010 0.020 . 2 . . . . 3 VAL HG1 . 16996 1 26 . 1 1 3 3 VAL HG12 H 1 1.010 0.020 . 2 . . . . 3 VAL HG1 . 16996 1 27 . 1 1 3 3 VAL HG13 H 1 1.010 0.020 . 2 . . . . 3 VAL HG1 . 16996 1 28 . 1 1 3 3 VAL HG21 H 1 1.018 0.020 . 2 . . . . 3 VAL HG2 . 16996 1 29 . 1 1 3 3 VAL HG22 H 1 1.018 0.020 . 2 . . . . 3 VAL HG2 . 16996 1 30 . 1 1 3 3 VAL HG23 H 1 1.018 0.020 . 2 . . . . 3 VAL HG2 . 16996 1 31 . 1 1 3 3 VAL C C 13 173.526 0.400 . 1 . . . . 3 VAL C . 16996 1 32 . 1 1 3 3 VAL CA C 13 62.624 0.400 . 1 . . . . 3 VAL CA . 16996 1 33 . 1 1 3 3 VAL CB C 13 33.168 0.400 . 1 . . . . 3 VAL CB . 16996 1 34 . 1 1 3 3 VAL CG1 C 13 21.813 0.400 . 1 . . . . 3 VAL CG1 . 16996 1 35 . 1 1 3 3 VAL CG2 C 13 21.542 0.400 . 1 . . . . 3 VAL CG2 . 16996 1 36 . 1 1 3 3 VAL N N 15 119.430 0.400 . 1 . . . . 3 VAL N . 16996 1 37 . 1 1 4 4 LEU H H 1 8.187 0.020 . 1 . . . . 4 LEU H . 16996 1 38 . 1 1 4 4 LEU HA H 1 3.906 0.020 . 1 . . . . 4 LEU HA . 16996 1 39 . 1 1 4 4 LEU HB2 H 1 1.850 0.020 . 2 . . . . 4 LEU HB2 . 16996 1 40 . 1 1 4 4 LEU HB3 H 1 1.045 0.020 . 2 . . . . 4 LEU HB3 . 16996 1 41 . 1 1 4 4 LEU HD11 H 1 0.653 0.020 . 2 . . . . 4 LEU HD1 . 16996 1 42 . 1 1 4 4 LEU HD12 H 1 0.653 0.020 . 2 . . . . 4 LEU HD1 . 16996 1 43 . 1 1 4 4 LEU HD13 H 1 0.653 0.020 . 2 . . . . 4 LEU HD1 . 16996 1 44 . 1 1 4 4 LEU HD21 H 1 0.695 0.020 . 2 . . . . 4 LEU HD2 . 16996 1 45 . 1 1 4 4 LEU HD22 H 1 0.695 0.020 . 2 . . . . 4 LEU HD2 . 16996 1 46 . 1 1 4 4 LEU HD23 H 1 0.695 0.020 . 2 . . . . 4 LEU HD2 . 16996 1 47 . 1 1 4 4 LEU HG H 1 1.313 0.020 . 1 . . . . 4 LEU HG . 16996 1 48 . 1 1 4 4 LEU C C 13 175.936 0.400 . 1 . . . . 4 LEU C . 16996 1 49 . 1 1 4 4 LEU CA C 13 56.526 0.400 . 1 . . . . 4 LEU CA . 16996 1 50 . 1 1 4 4 LEU CB C 13 41.744 0.400 . 1 . . . . 4 LEU CB . 16996 1 51 . 1 1 4 4 LEU CD1 C 13 23.831 0.400 . 1 . . . . 4 LEU CD1 . 16996 1 52 . 1 1 4 4 LEU CD2 C 13 26.596 0.400 . 1 . . . . 4 LEU CD2 . 16996 1 53 . 1 1 4 4 LEU N N 15 122.609 0.400 . 1 . . . . 4 LEU N . 16996 1 54 . 1 1 5 5 ARG H H 1 6.506 0.020 . 1 . . . . 5 ARG H . 16996 1 55 . 1 1 5 5 ARG HA H 1 4.712 0.020 . 1 . . . . 5 ARG HA . 16996 1 56 . 1 1 5 5 ARG HB2 H 1 1.848 0.020 . 2 . . . . 5 ARG HB2 . 16996 1 57 . 1 1 5 5 ARG HB3 H 1 1.737 0.020 . 2 . . . . 5 ARG HB3 . 16996 1 58 . 1 1 5 5 ARG HD2 H 1 3.168 0.020 . 2 . . . . 5 ARG HD2 . 16996 1 59 . 1 1 5 5 ARG HD3 H 1 3.168 0.020 . 2 . . . . 5 ARG HD3 . 16996 1 60 . 1 1 5 5 ARG HG2 H 1 1.673 0.020 . 2 . . . . 5 ARG HG2 . 16996 1 61 . 1 1 5 5 ARG HG3 H 1 1.451 0.020 . 2 . . . . 5 ARG HG3 . 16996 1 62 . 1 1 5 5 ARG C C 13 175.100 0.400 . 1 . . . . 5 ARG C . 16996 1 63 . 1 1 5 5 ARG CA C 13 54.326 0.400 . 1 . . . . 5 ARG CA . 16996 1 64 . 1 1 5 5 ARG CB C 13 33.184 0.400 . 1 . . . . 5 ARG CB . 16996 1 65 . 1 1 5 5 ARG CD C 13 43.871 0.400 . 1 . . . . 5 ARG CD . 16996 1 66 . 1 1 5 5 ARG CG C 13 26.579 0.400 . 1 . . . . 5 ARG CG . 16996 1 67 . 1 1 5 5 ARG N N 15 117.416 0.400 . 1 . . . . 5 ARG N . 16996 1 68 . 1 1 6 6 VAL H H 1 8.754 0.020 . 1 . . . . 6 VAL H . 16996 1 69 . 1 1 6 6 VAL HA H 1 3.669 0.020 . 1 . . . . 6 VAL HA . 16996 1 70 . 1 1 6 6 VAL HB H 1 2.035 0.020 . 1 . . . . 6 VAL HB . 16996 1 71 . 1 1 6 6 VAL HG11 H 1 1.074 0.020 . 2 . . . . 6 VAL HG1 . 16996 1 72 . 1 1 6 6 VAL HG12 H 1 1.074 0.020 . 2 . . . . 6 VAL HG1 . 16996 1 73 . 1 1 6 6 VAL HG13 H 1 1.074 0.020 . 2 . . . . 6 VAL HG1 . 16996 1 74 . 1 1 6 6 VAL HG21 H 1 1.042 0.020 . 2 . . . . 6 VAL HG2 . 16996 1 75 . 1 1 6 6 VAL HG22 H 1 1.042 0.020 . 2 . . . . 6 VAL HG2 . 16996 1 76 . 1 1 6 6 VAL HG23 H 1 1.042 0.020 . 2 . . . . 6 VAL HG2 . 16996 1 77 . 1 1 6 6 VAL C C 13 174.697 0.400 . 1 . . . . 6 VAL C . 16996 1 78 . 1 1 6 6 VAL CA C 13 65.082 0.400 . 1 . . . . 6 VAL CA . 16996 1 79 . 1 1 6 6 VAL CB C 13 31.783 0.400 . 1 . . . . 6 VAL CB . 16996 1 80 . 1 1 6 6 VAL CG1 C 13 22.704 0.400 . 1 . . . . 6 VAL CG1 . 16996 1 81 . 1 1 6 6 VAL CG2 C 13 21.511 0.400 . 1 . . . . 6 VAL CG2 . 16996 1 82 . 1 1 6 6 VAL N N 15 122.477 0.400 . 1 . . . . 6 VAL N . 16996 1 83 . 1 1 7 7 GLY H H 1 9.048 0.020 . 1 . . . . 7 GLY H . 16996 1 84 . 1 1 7 7 GLY HA2 H 1 4.328 0.020 . 2 . . . . 7 GLY HA2 . 16996 1 85 . 1 1 7 7 GLY HA3 H 1 3.718 0.020 . 2 . . . . 7 GLY HA3 . 16996 1 86 . 1 1 7 7 GLY C C 13 177.176 0.400 . 1 . . . . 7 GLY C . 16996 1 87 . 1 1 7 7 GLY CA C 13 45.223 0.400 . 1 . . . . 7 GLY CA . 16996 1 88 . 1 1 7 7 GLY N N 15 113.923 0.400 . 1 . . . . 7 GLY N . 16996 1 89 . 1 1 8 8 LEU H H 1 7.864 0.020 . 1 . . . . 8 LEU H . 16996 1 90 . 1 1 8 8 LEU HA H 1 4.149 0.020 . 1 . . . . 8 LEU HA . 16996 1 91 . 1 1 8 8 LEU HB2 H 1 1.780 0.020 . 2 . . . . 8 LEU HB2 . 16996 1 92 . 1 1 8 8 LEU HB3 H 1 1.780 0.020 . 2 . . . . 8 LEU HB3 . 16996 1 93 . 1 1 8 8 LEU HD11 H 1 1.078 0.020 . 2 . . . . 8 LEU HD1 . 16996 1 94 . 1 1 8 8 LEU HD12 H 1 1.078 0.020 . 2 . . . . 8 LEU HD1 . 16996 1 95 . 1 1 8 8 LEU HD13 H 1 1.078 0.020 . 2 . . . . 8 LEU HD1 . 16996 1 96 . 1 1 8 8 LEU HD21 H 1 0.955 0.020 . 2 . . . . 8 LEU HD2 . 16996 1 97 . 1 1 8 8 LEU HD22 H 1 0.955 0.020 . 2 . . . . 8 LEU HD2 . 16996 1 98 . 1 1 8 8 LEU HD23 H 1 0.955 0.020 . 2 . . . . 8 LEU HD2 . 16996 1 99 . 1 1 8 8 LEU HG H 1 1.737 0.020 . 1 . . . . 8 LEU HG . 16996 1 100 . 1 1 8 8 LEU C C 13 175.552 0.400 . 1 . . . . 8 LEU C . 16996 1 101 . 1 1 8 8 LEU CA C 13 57.881 0.400 . 1 . . . . 8 LEU CA . 16996 1 102 . 1 1 8 8 LEU CB C 13 44.119 0.400 . 1 . . . . 8 LEU CB . 16996 1 103 . 1 1 8 8 LEU CD1 C 13 24.620 0.400 . 1 . . . . 8 LEU CD1 . 16996 1 104 . 1 1 8 8 LEU CG C 13 23.956 0.400 . 1 . . . . 8 LEU CG . 16996 1 105 . 1 1 8 8 LEU N N 15 121.311 0.400 . 1 . . . . 8 LEU N . 16996 1 106 . 1 1 9 9 CYS H H 1 7.371 0.020 . 1 . . . . 9 CYS H . 16996 1 107 . 1 1 9 9 CYS HA H 1 4.998 0.020 . 1 . . . . 9 CYS HA . 16996 1 108 . 1 1 9 9 CYS HB2 H 1 3.024 0.020 . 2 . . . . 9 CYS HB2 . 16996 1 109 . 1 1 9 9 CYS HB3 H 1 2.758 0.020 . 2 . . . . 9 CYS HB3 . 16996 1 110 . 1 1 9 9 CYS C C 13 176.386 0.400 . 1 . . . . 9 CYS C . 16996 1 111 . 1 1 9 9 CYS CA C 13 54.908 0.400 . 1 . . . . 9 CYS CA . 16996 1 112 . 1 1 9 9 CYS CB C 13 29.328 0.400 . 1 . . . . 9 CYS CB . 16996 1 113 . 1 1 9 9 CYS N N 15 109.087 0.400 . 1 . . . . 9 CYS N . 16996 1 114 . 1 1 10 10 PRO HA H 1 4.405 0.020 . 1 . . . . 10 PRO HA . 16996 1 115 . 1 1 10 10 PRO HB2 H 1 2.383 0.020 . 2 . . . . 10 PRO HB2 . 16996 1 116 . 1 1 10 10 PRO HB3 H 1 1.888 0.020 . 2 . . . . 10 PRO HB3 . 16996 1 117 . 1 1 10 10 PRO HD2 H 1 3.862 0.020 . 2 . . . . 10 PRO HD2 . 16996 1 118 . 1 1 10 10 PRO HD3 H 1 3.611 0.020 . 2 . . . . 10 PRO HD3 . 16996 1 119 . 1 1 10 10 PRO HG2 H 1 2.132 0.020 . 2 . . . . 10 PRO HG2 . 16996 1 120 . 1 1 10 10 PRO HG3 H 1 1.980 0.020 . 2 . . . . 10 PRO HG3 . 16996 1 121 . 1 1 10 10 PRO CA C 13 64.391 0.400 . 1 . . . . 10 PRO CA . 16996 1 122 . 1 1 10 10 PRO CB C 13 32.165 0.400 . 1 . . . . 10 PRO CB . 16996 1 123 . 1 1 10 10 PRO CD C 13 51.538 0.400 . 1 . . . . 10 PRO CD . 16996 1 124 . 1 1 11 11 GLY H H 1 8.721 0.020 . 1 . . . . 11 GLY H . 16996 1 125 . 1 1 11 11 GLY HA2 H 1 4.145 0.020 . 2 . . . . 11 GLY HA2 . 16996 1 126 . 1 1 11 11 GLY HA3 H 1 3.749 0.020 . 2 . . . . 11 GLY HA3 . 16996 1 127 . 1 1 11 11 GLY C C 13 177.408 0.400 . 1 . . . . 11 GLY C . 16996 1 128 . 1 1 11 11 GLY CA C 13 45.396 0.400 . 1 . . . . 11 GLY CA . 16996 1 129 . 1 1 11 11 GLY N N 15 109.097 0.400 . 1 . . . . 11 GLY N . 16996 1 130 . 1 1 12 12 LEU H H 1 7.226 0.020 . 1 . . . . 12 LEU H . 16996 1 131 . 1 1 12 12 LEU HA H 1 4.747 0.020 . 1 . . . . 12 LEU HA . 16996 1 132 . 1 1 12 12 LEU HB2 H 1 1.919 0.020 . 2 . . . . 12 LEU HB2 . 16996 1 133 . 1 1 12 12 LEU HB3 H 1 1.541 0.020 . 2 . . . . 12 LEU HB3 . 16996 1 134 . 1 1 12 12 LEU HD11 H 1 0.918 0.020 . 2 . . . . 12 LEU HD1 . 16996 1 135 . 1 1 12 12 LEU HD12 H 1 0.918 0.020 . 2 . . . . 12 LEU HD1 . 16996 1 136 . 1 1 12 12 LEU HD13 H 1 0.918 0.020 . 2 . . . . 12 LEU HD1 . 16996 1 137 . 1 1 12 12 LEU HD21 H 1 0.930 0.020 . 2 . . . . 12 LEU HD2 . 16996 1 138 . 1 1 12 12 LEU HD22 H 1 0.930 0.020 . 2 . . . . 12 LEU HD2 . 16996 1 139 . 1 1 12 12 LEU HD23 H 1 0.930 0.020 . 2 . . . . 12 LEU HD2 . 16996 1 140 . 1 1 12 12 LEU C C 13 173.841 0.400 . 1 . . . . 12 LEU C . 16996 1 141 . 1 1 12 12 LEU CA C 13 54.306 0.400 . 1 . . . . 12 LEU CA . 16996 1 142 . 1 1 12 12 LEU CB C 13 42.193 0.400 . 1 . . . . 12 LEU CB . 16996 1 143 . 1 1 12 12 LEU CD1 C 13 25.854 0.400 . 1 . . . . 12 LEU CD1 . 16996 1 144 . 1 1 12 12 LEU CG C 13 25.696 0.400 . 1 . . . . 12 LEU CG . 16996 1 145 . 1 1 12 12 LEU N N 15 120.452 0.400 . 1 . . . . 12 LEU N . 16996 1 146 . 1 1 13 13 THR H H 1 7.231 0.020 . 1 . . . . 13 THR H . 16996 1 147 . 1 1 13 13 THR HA H 1 4.637 0.020 . 1 . . . . 13 THR HA . 16996 1 148 . 1 1 13 13 THR HB H 1 4.796 0.020 . 1 . . . . 13 THR HB . 16996 1 149 . 1 1 13 13 THR HG21 H 1 1.316 0.020 . 1 . . . . 13 THR HG2 . 16996 1 150 . 1 1 13 13 THR HG22 H 1 1.316 0.020 . 1 . . . . 13 THR HG2 . 16996 1 151 . 1 1 13 13 THR HG23 H 1 1.316 0.020 . 1 . . . . 13 THR HG2 . 16996 1 152 . 1 1 13 13 THR C C 13 175.576 0.400 . 1 . . . . 13 THR C . 16996 1 153 . 1 1 13 13 THR CA C 13 59.987 0.400 . 1 . . . . 13 THR CA . 16996 1 154 . 1 1 13 13 THR CB C 13 71.961 0.400 . 1 . . . . 13 THR CB . 16996 1 155 . 1 1 13 13 THR CG2 C 13 21.983 0.400 . 1 . . . . 13 THR CG2 . 16996 1 156 . 1 1 13 13 THR N N 15 115.449 0.400 . 1 . . . . 13 THR N . 16996 1 157 . 1 1 14 14 GLU H H 1 9.246 0.020 . 1 . . . . 14 GLU H . 16996 1 158 . 1 1 14 14 GLU HA H 1 3.961 0.020 . 1 . . . . 14 GLU HA . 16996 1 159 . 1 1 14 14 GLU HB2 H 1 2.132 0.020 . 2 . . . . 14 GLU HB2 . 16996 1 160 . 1 1 14 14 GLU HB3 H 1 2.013 0.020 . 2 . . . . 14 GLU HB3 . 16996 1 161 . 1 1 14 14 GLU HG2 H 1 2.342 0.020 . 2 . . . . 14 GLU HG2 . 16996 1 162 . 1 1 14 14 GLU HG3 H 1 2.342 0.020 . 2 . . . . 14 GLU HG3 . 16996 1 163 . 1 1 14 14 GLU C C 13 174.746 0.400 . 1 . . . . 14 GLU C . 16996 1 164 . 1 1 14 14 GLU CA C 13 60.191 0.400 . 1 . . . . 14 GLU CA . 16996 1 165 . 1 1 14 14 GLU CB C 13 29.665 0.400 . 1 . . . . 14 GLU CB . 16996 1 166 . 1 1 14 14 GLU CG C 13 36.213 0.400 . 1 . . . . 14 GLU CG . 16996 1 167 . 1 1 14 14 GLU N N 15 122.164 0.400 . 1 . . . . 14 GLU N . 16996 1 168 . 1 1 15 15 GLU H H 1 8.827 0.020 . 1 . . . . 15 GLU H . 16996 1 169 . 1 1 15 15 GLU HA H 1 4.046 0.020 . 1 . . . . 15 GLU HA . 16996 1 170 . 1 1 15 15 GLU HB2 H 1 2.120 0.020 . 2 . . . . 15 GLU HB2 . 16996 1 171 . 1 1 15 15 GLU HB3 H 1 1.961 0.020 . 2 . . . . 15 GLU HB3 . 16996 1 172 . 1 1 15 15 GLU HG2 H 1 2.354 0.020 . 2 . . . . 15 GLU HG2 . 16996 1 173 . 1 1 15 15 GLU HG3 H 1 2.329 0.020 . 2 . . . . 15 GLU HG3 . 16996 1 174 . 1 1 15 15 GLU C C 13 178.568 0.400 . 1 . . . . 15 GLU C . 16996 1 175 . 1 1 15 15 GLU CA C 13 60.296 0.400 . 1 . . . . 15 GLU CA . 16996 1 176 . 1 1 15 15 GLU CB C 13 29.558 0.400 . 1 . . . . 15 GLU CB . 16996 1 177 . 1 1 15 15 GLU CG C 13 36.819 0.400 . 1 . . . . 15 GLU CG . 16996 1 178 . 1 1 15 15 GLU N N 15 118.451 0.400 . 1 . . . . 15 GLU N . 16996 1 179 . 1 1 16 16 MET H H 1 7.703 0.020 . 1 . . . . 16 MET H . 16996 1 180 . 1 1 16 16 MET HA H 1 4.050 0.020 . 1 . . . . 16 MET HA . 16996 1 181 . 1 1 16 16 MET HB2 H 1 2.384 0.020 . 2 . . . . 16 MET HB2 . 16996 1 182 . 1 1 16 16 MET HB3 H 1 2.052 0.020 . 2 . . . . 16 MET HB3 . 16996 1 183 . 1 1 16 16 MET HE1 H 1 2.124 0.020 . 1 . . . . 16 MET HE . 16996 1 184 . 1 1 16 16 MET HE2 H 1 2.124 0.020 . 1 . . . . 16 MET HE . 16996 1 185 . 1 1 16 16 MET HE3 H 1 2.124 0.020 . 1 . . . . 16 MET HE . 16996 1 186 . 1 1 16 16 MET HG2 H 1 2.628 0.020 . 2 . . . . 16 MET HG2 . 16996 1 187 . 1 1 16 16 MET HG3 H 1 2.443 0.020 . 2 . . . . 16 MET HG3 . 16996 1 188 . 1 1 16 16 MET C C 13 179.109 0.400 . 1 . . . . 16 MET C . 16996 1 189 . 1 1 16 16 MET CA C 13 59.365 0.400 . 1 . . . . 16 MET CA . 16996 1 190 . 1 1 16 16 MET CB C 13 34.207 0.400 . 1 . . . . 16 MET CB . 16996 1 191 . 1 1 16 16 MET CE C 13 17.259 0.400 . 1 . . . . 16 MET CE . 16996 1 192 . 1 1 16 16 MET CG C 13 32.271 0.400 . 1 . . . . 16 MET CG . 16996 1 193 . 1 1 16 16 MET N N 15 118.945 0.400 . 1 . . . . 16 MET N . 16996 1 194 . 1 1 17 17 ILE H H 1 8.312 0.020 . 1 . . . . 17 ILE H . 16996 1 195 . 1 1 17 17 ILE HA H 1 3.518 0.020 . 1 . . . . 17 ILE HA . 16996 1 196 . 1 1 17 17 ILE HB H 1 2.073 0.020 . 1 . . . . 17 ILE HB . 16996 1 197 . 1 1 17 17 ILE HD11 H 1 0.619 0.020 . 1 . . . . 17 ILE HD1 . 16996 1 198 . 1 1 17 17 ILE HD12 H 1 0.619 0.020 . 1 . . . . 17 ILE HD1 . 16996 1 199 . 1 1 17 17 ILE HD13 H 1 0.619 0.020 . 1 . . . . 17 ILE HD1 . 16996 1 200 . 1 1 17 17 ILE HG12 H 1 1.636 0.020 . 2 . . . . 17 ILE HG12 . 16996 1 201 . 1 1 17 17 ILE HG13 H 1 0.940 0.020 . 2 . . . . 17 ILE HG13 . 16996 1 202 . 1 1 17 17 ILE HG21 H 1 0.888 0.020 . 1 . . . . 17 ILE HG2 . 16996 1 203 . 1 1 17 17 ILE HG22 H 1 0.888 0.020 . 1 . . . . 17 ILE HG2 . 16996 1 204 . 1 1 17 17 ILE HG23 H 1 0.888 0.020 . 1 . . . . 17 ILE HG2 . 16996 1 205 . 1 1 17 17 ILE C C 13 177.896 0.400 . 1 . . . . 17 ILE C . 16996 1 206 . 1 1 17 17 ILE CA C 13 65.237 0.400 . 1 . . . . 17 ILE CA . 16996 1 207 . 1 1 17 17 ILE CB C 13 37.368 0.400 . 1 . . . . 17 ILE CB . 16996 1 208 . 1 1 17 17 ILE CD1 C 13 13.405 0.400 . 1 . . . . 17 ILE CD1 . 16996 1 209 . 1 1 17 17 ILE CG2 C 13 17.454 0.400 . 1 . . . . 17 ILE CG2 . 16996 1 210 . 1 1 17 17 ILE N N 15 118.967 0.400 . 1 . . . . 17 ILE N . 16996 1 211 . 1 1 18 18 GLN H H 1 8.297 0.020 . 1 . . . . 18 GLN H . 16996 1 212 . 1 1 18 18 GLN HA H 1 4.028 0.020 . 1 . . . . 18 GLN HA . 16996 1 213 . 1 1 18 18 GLN HB2 H 1 2.212 0.020 . 2 . . . . 18 GLN HB2 . 16996 1 214 . 1 1 18 18 GLN HB3 H 1 2.212 0.020 . 2 . . . . 18 GLN HB3 . 16996 1 215 . 1 1 18 18 GLN HG2 H 1 2.589 0.020 . 2 . . . . 18 GLN HG2 . 16996 1 216 . 1 1 18 18 GLN HG3 H 1 2.540 0.020 . 2 . . . . 18 GLN HG3 . 16996 1 217 . 1 1 18 18 GLN C C 13 178.525 0.400 . 1 . . . . 18 GLN C . 16996 1 218 . 1 1 18 18 GLN CA C 13 59.403 0.400 . 1 . . . . 18 GLN CA . 16996 1 219 . 1 1 18 18 GLN CB C 13 28.188 0.400 . 1 . . . . 18 GLN CB . 16996 1 220 . 1 1 18 18 GLN CG C 13 33.669 0.400 . 1 . . . . 18 GLN CG . 16996 1 221 . 1 1 18 18 GLN N N 15 119.091 0.400 . 1 . . . . 18 GLN N . 16996 1 222 . 1 1 19 19 LEU H H 1 7.903 0.020 . 1 . . . . 19 LEU H . 16996 1 223 . 1 1 19 19 LEU HA H 1 4.236 0.020 . 1 . . . . 19 LEU HA . 16996 1 224 . 1 1 19 19 LEU HB2 H 1 2.002 0.020 . 2 . . . . 19 LEU HB2 . 16996 1 225 . 1 1 19 19 LEU HB3 H 1 1.625 0.020 . 2 . . . . 19 LEU HB3 . 16996 1 226 . 1 1 19 19 LEU HD11 H 1 1.050 0.020 . 2 . . . . 19 LEU HD1 . 16996 1 227 . 1 1 19 19 LEU HD12 H 1 1.050 0.020 . 2 . . . . 19 LEU HD1 . 16996 1 228 . 1 1 19 19 LEU HD13 H 1 1.050 0.020 . 2 . . . . 19 LEU HD1 . 16996 1 229 . 1 1 19 19 LEU HD21 H 1 0.732 0.020 . 2 . . . . 19 LEU HD2 . 16996 1 230 . 1 1 19 19 LEU HD22 H 1 0.732 0.020 . 2 . . . . 19 LEU HD2 . 16996 1 231 . 1 1 19 19 LEU HD23 H 1 0.732 0.020 . 2 . . . . 19 LEU HD2 . 16996 1 232 . 1 1 19 19 LEU HG H 1 1.839 0.020 . 1 . . . . 19 LEU HG . 16996 1 233 . 1 1 19 19 LEU C C 13 179.118 0.400 . 1 . . . . 19 LEU C . 16996 1 234 . 1 1 19 19 LEU CA C 13 58.428 0.400 . 1 . . . . 19 LEU CA . 16996 1 235 . 1 1 19 19 LEU CB C 13 42.824 0.400 . 1 . . . . 19 LEU CB . 16996 1 236 . 1 1 19 19 LEU CD1 C 13 24.030 0.400 . 1 . . . . 19 LEU CD1 . 16996 1 237 . 1 1 19 19 LEU CG C 13 23.963 0.400 . 1 . . . . 19 LEU CG . 16996 1 238 . 1 1 19 19 LEU N N 15 121.777 0.400 . 1 . . . . 19 LEU N . 16996 1 239 . 1 1 20 20 LEU H H 1 8.631 0.020 . 1 . . . . 20 LEU H . 16996 1 240 . 1 1 20 20 LEU HA H 1 4.017 0.020 . 1 . . . . 20 LEU HA . 16996 1 241 . 1 1 20 20 LEU HB2 H 1 1.925 0.020 . 2 . . . . 20 LEU HB2 . 16996 1 242 . 1 1 20 20 LEU HB3 H 1 1.591 0.020 . 2 . . . . 20 LEU HB3 . 16996 1 243 . 1 1 20 20 LEU HD11 H 1 0.638 0.020 . 2 . . . . 20 LEU HD1 . 16996 1 244 . 1 1 20 20 LEU HD12 H 1 0.638 0.020 . 2 . . . . 20 LEU HD1 . 16996 1 245 . 1 1 20 20 LEU HD13 H 1 0.638 0.020 . 2 . . . . 20 LEU HD1 . 16996 1 246 . 1 1 20 20 LEU HD21 H 1 0.700 0.020 . 2 . . . . 20 LEU HD2 . 16996 1 247 . 1 1 20 20 LEU HD22 H 1 0.700 0.020 . 2 . . . . 20 LEU HD2 . 16996 1 248 . 1 1 20 20 LEU HD23 H 1 0.700 0.020 . 2 . . . . 20 LEU HD2 . 16996 1 249 . 1 1 20 20 LEU HG H 1 1.856 0.020 . 1 . . . . 20 LEU HG . 16996 1 250 . 1 1 20 20 LEU C C 13 180.131 0.400 . 1 . . . . 20 LEU C . 16996 1 251 . 1 1 20 20 LEU CA C 13 58.933 0.400 . 1 . . . . 20 LEU CA . 16996 1 252 . 1 1 20 20 LEU CB C 13 40.233 0.400 . 1 . . . . 20 LEU CB . 16996 1 253 . 1 1 20 20 LEU CD1 C 13 26.288 0.400 . 1 . . . . 20 LEU CD1 . 16996 1 254 . 1 1 20 20 LEU CD2 C 13 22.853 0.400 . 1 . . . . 20 LEU CD2 . 16996 1 255 . 1 1 20 20 LEU CG C 13 26.106 0.400 . 1 . . . . 20 LEU CG . 16996 1 256 . 1 1 20 20 LEU N N 15 120.204 0.400 . 1 . . . . 20 LEU N . 16996 1 257 . 1 1 21 21 ARG H H 1 8.660 0.020 . 1 . . . . 21 ARG H . 16996 1 258 . 1 1 21 21 ARG HA H 1 3.784 0.020 . 1 . . . . 21 ARG HA . 16996 1 259 . 1 1 21 21 ARG HB2 H 1 2.058 0.020 . 2 . . . . 21 ARG HB2 . 16996 1 260 . 1 1 21 21 ARG HB3 H 1 1.986 0.020 . 2 . . . . 21 ARG HB3 . 16996 1 261 . 1 1 21 21 ARG HD2 H 1 3.247 0.020 . 2 . . . . 21 ARG HD2 . 16996 1 262 . 1 1 21 21 ARG HD3 H 1 3.247 0.020 . 2 . . . . 21 ARG HD3 . 16996 1 263 . 1 1 21 21 ARG HG2 H 1 1.823 0.020 . 2 . . . . 21 ARG HG2 . 16996 1 264 . 1 1 21 21 ARG HG3 H 1 1.706 0.020 . 2 . . . . 21 ARG HG3 . 16996 1 265 . 1 1 21 21 ARG C C 13 180.009 0.400 . 1 . . . . 21 ARG C . 16996 1 266 . 1 1 21 21 ARG CA C 13 60.333 0.400 . 1 . . . . 21 ARG CA . 16996 1 267 . 1 1 21 21 ARG CB C 13 30.515 0.400 . 1 . . . . 21 ARG CB . 16996 1 268 . 1 1 21 21 ARG CD C 13 44.092 0.400 . 1 . . . . 21 ARG CD . 16996 1 269 . 1 1 21 21 ARG N N 15 120.681 0.400 . 1 . . . . 21 ARG N . 16996 1 270 . 1 1 22 22 SER H H 1 7.975 0.020 . 1 . . . . 22 SER H . 16996 1 271 . 1 1 22 22 SER HA H 1 4.320 0.020 . 1 . . . . 22 SER HA . 16996 1 272 . 1 1 22 22 SER HB2 H 1 4.084 0.020 . 2 . . . . 22 SER HB2 . 16996 1 273 . 1 1 22 22 SER HB3 H 1 3.983 0.020 . 2 . . . . 22 SER HB3 . 16996 1 274 . 1 1 22 22 SER C C 13 172.132 0.400 . 1 . . . . 22 SER C . 16996 1 275 . 1 1 22 22 SER CA C 13 61.490 0.400 . 1 . . . . 22 SER CA . 16996 1 276 . 1 1 22 22 SER CB C 13 63.190 0.400 . 1 . . . . 22 SER CB . 16996 1 277 . 1 1 22 22 SER N N 15 116.949 0.400 . 1 . . . . 22 SER N . 16996 1 278 . 1 1 23 23 HIS H H 1 7.565 0.020 . 1 . . . . 23 HIS H . 16996 1 279 . 1 1 23 23 HIS HA H 1 4.691 0.020 . 1 . . . . 23 HIS HA . 16996 1 280 . 1 1 23 23 HIS HB2 H 1 3.402 0.020 . 2 . . . . 23 HIS HB2 . 16996 1 281 . 1 1 23 23 HIS HB3 H 1 2.651 0.020 . 2 . . . . 23 HIS HB3 . 16996 1 282 . 1 1 23 23 HIS C C 13 174.202 0.400 . 1 . . . . 23 HIS C . 16996 1 283 . 1 1 23 23 HIS CA C 13 56.421 0.400 . 1 . . . . 23 HIS CA . 16996 1 284 . 1 1 23 23 HIS CB C 13 30.548 0.400 . 1 . . . . 23 HIS CB . 16996 1 285 . 1 1 23 23 HIS N N 15 121.254 0.400 . 1 . . . . 23 HIS N . 16996 1 286 . 1 1 24 24 ARG H H 1 7.781 0.020 . 1 . . . . 24 ARG H . 16996 1 287 . 1 1 24 24 ARG HA H 1 3.662 0.020 . 1 . . . . 24 ARG HA . 16996 1 288 . 1 1 24 24 ARG HB2 H 1 2.194 0.020 . 2 . . . . 24 ARG HB2 . 16996 1 289 . 1 1 24 24 ARG HB3 H 1 2.086 0.020 . 2 . . . . 24 ARG HB3 . 16996 1 290 . 1 1 24 24 ARG HD2 H 1 3.249 0.020 . 2 . . . . 24 ARG HD2 . 16996 1 291 . 1 1 24 24 ARG HD3 H 1 3.238 0.020 . 2 . . . . 24 ARG HD3 . 16996 1 292 . 1 1 24 24 ARG HG2 H 1 1.584 0.020 . 2 . . . . 24 ARG HG2 . 16996 1 293 . 1 1 24 24 ARG HG3 H 1 1.553 0.020 . 2 . . . . 24 ARG HG3 . 16996 1 294 . 1 1 24 24 ARG C C 13 173.331 0.400 . 1 . . . . 24 ARG C . 16996 1 295 . 1 1 24 24 ARG CA C 13 58.294 0.400 . 1 . . . . 24 ARG CA . 16996 1 296 . 1 1 24 24 ARG CB C 13 26.756 0.400 . 1 . . . . 24 ARG CB . 16996 1 297 . 1 1 24 24 ARG CD C 13 43.849 0.400 . 1 . . . . 24 ARG CD . 16996 1 298 . 1 1 24 24 ARG CG C 13 28.203 0.400 . 1 . . . . 24 ARG CG . 16996 1 299 . 1 1 24 24 ARG N N 15 109.964 0.400 . 1 . . . . 24 ARG N . 16996 1 300 . 1 1 25 25 ILE H H 1 8.137 0.020 . 1 . . . . 25 ILE H . 16996 1 301 . 1 1 25 25 ILE HA H 1 4.158 0.020 . 1 . . . . 25 ILE HA . 16996 1 302 . 1 1 25 25 ILE HB H 1 1.872 0.020 . 1 . . . . 25 ILE HB . 16996 1 303 . 1 1 25 25 ILE HD11 H 1 0.779 0.020 . 1 . . . . 25 ILE HD1 . 16996 1 304 . 1 1 25 25 ILE HD12 H 1 0.779 0.020 . 1 . . . . 25 ILE HD1 . 16996 1 305 . 1 1 25 25 ILE HD13 H 1 0.779 0.020 . 1 . . . . 25 ILE HD1 . 16996 1 306 . 1 1 25 25 ILE HG12 H 1 1.009 0.020 . 2 . . . . 25 ILE HG12 . 16996 1 307 . 1 1 25 25 ILE HG13 H 1 1.493 0.020 . 2 . . . . 25 ILE HG13 . 16996 1 308 . 1 1 25 25 ILE HG21 H 1 0.735 0.020 . 1 . . . . 25 ILE HG2 . 16996 1 309 . 1 1 25 25 ILE HG22 H 1 0.735 0.020 . 1 . . . . 25 ILE HG2 . 16996 1 310 . 1 1 25 25 ILE HG23 H 1 0.735 0.020 . 1 . . . . 25 ILE HG2 . 16996 1 311 . 1 1 25 25 ILE C C 13 174.782 0.400 . 1 . . . . 25 ILE C . 16996 1 312 . 1 1 25 25 ILE CA C 13 60.757 0.400 . 1 . . . . 25 ILE CA . 16996 1 313 . 1 1 25 25 ILE CB C 13 36.764 0.400 . 1 . . . . 25 ILE CB . 16996 1 314 . 1 1 25 25 ILE CD1 C 13 13.982 0.400 . 1 . . . . 25 ILE CD1 . 16996 1 315 . 1 1 25 25 ILE CG1 C 13 27.156 0.400 . 1 . . . . 25 ILE CG1 . 16996 1 316 . 1 1 25 25 ILE CG2 C 13 17.714 0.400 . 1 . . . . 25 ILE CG2 . 16996 1 317 . 1 1 25 25 ILE N N 15 122.460 0.400 . 1 . . . . 25 ILE N . 16996 1 318 . 1 1 26 26 LYS H H 1 9.215 0.020 . 1 . . . . 26 LYS H . 16996 1 319 . 1 1 26 26 LYS HA H 1 4.601 0.020 . 1 . . . . 26 LYS HA . 16996 1 320 . 1 1 26 26 LYS HB2 H 1 1.933 0.020 . 2 . . . . 26 LYS HB2 . 16996 1 321 . 1 1 26 26 LYS HB3 H 1 1.868 0.020 . 2 . . . . 26 LYS HB3 . 16996 1 322 . 1 1 26 26 LYS HD2 H 1 1.737 0.020 . 2 . . . . 26 LYS HD2 . 16996 1 323 . 1 1 26 26 LYS HD3 H 1 1.737 0.020 . 2 . . . . 26 LYS HD3 . 16996 1 324 . 1 1 26 26 LYS HE2 H 1 2.940 0.020 . 2 . . . . 26 LYS HE2 . 16996 1 325 . 1 1 26 26 LYS HE3 H 1 2.940 0.020 . 2 . . . . 26 LYS HE3 . 16996 1 326 . 1 1 26 26 LYS HG2 H 1 1.333 0.020 . 2 . . . . 26 LYS HG2 . 16996 1 327 . 1 1 26 26 LYS HG3 H 1 1.333 0.020 . 2 . . . . 26 LYS HG3 . 16996 1 328 . 1 1 26 26 LYS C C 13 173.115 0.400 . 1 . . . . 26 LYS C . 16996 1 329 . 1 1 26 26 LYS CA C 13 57.203 0.400 . 1 . . . . 26 LYS CA . 16996 1 330 . 1 1 26 26 LYS CB C 13 36.428 0.400 . 1 . . . . 26 LYS CB . 16996 1 331 . 1 1 26 26 LYS CD C 13 29.421 0.400 . 1 . . . . 26 LYS CD . 16996 1 332 . 1 1 26 26 LYS CE C 13 42.309 0.400 . 1 . . . . 26 LYS CE . 16996 1 333 . 1 1 26 26 LYS CG C 13 26.191 0.400 . 1 . . . . 26 LYS CG . 16996 1 334 . 1 1 26 26 LYS N N 15 124.327 0.400 . 1 . . . . 26 LYS N . 16996 1 335 . 1 1 27 27 THR H H 1 8.363 0.020 . 1 . . . . 27 THR H . 16996 1 336 . 1 1 27 27 THR HA H 1 5.061 0.020 . 1 . . . . 27 THR HA . 16996 1 337 . 1 1 27 27 THR HB H 1 4.556 0.020 . 1 . . . . 27 THR HB . 16996 1 338 . 1 1 27 27 THR HG21 H 1 1.145 0.020 . 1 . . . . 27 THR HG2 . 16996 1 339 . 1 1 27 27 THR HG22 H 1 1.145 0.020 . 1 . . . . 27 THR HG2 . 16996 1 340 . 1 1 27 27 THR HG23 H 1 1.145 0.020 . 1 . . . . 27 THR HG2 . 16996 1 341 . 1 1 27 27 THR C C 13 177.026 0.400 . 1 . . . . 27 THR C . 16996 1 342 . 1 1 27 27 THR CA C 13 59.488 0.400 . 1 . . . . 27 THR CA . 16996 1 343 . 1 1 27 27 THR CB C 13 73.212 0.400 . 1 . . . . 27 THR CB . 16996 1 344 . 1 1 27 27 THR CG2 C 13 21.875 0.400 . 1 . . . . 27 THR CG2 . 16996 1 345 . 1 1 27 27 THR N N 15 110.461 0.400 . 1 . . . . 27 THR N . 16996 1 346 . 1 1 28 28 VAL H H 1 8.502 0.020 . 1 . . . . 28 VAL H . 16996 1 347 . 1 1 28 28 VAL HA H 1 3.425 0.020 . 1 . . . . 28 VAL HA . 16996 1 348 . 1 1 28 28 VAL HB H 1 2.070 0.020 . 1 . . . . 28 VAL HB . 16996 1 349 . 1 1 28 28 VAL HG11 H 1 0.833 0.020 . 2 . . . . 28 VAL HG1 . 16996 1 350 . 1 1 28 28 VAL HG12 H 1 0.833 0.020 . 2 . . . . 28 VAL HG1 . 16996 1 351 . 1 1 28 28 VAL HG13 H 1 0.833 0.020 . 2 . . . . 28 VAL HG1 . 16996 1 352 . 1 1 28 28 VAL HG21 H 1 0.842 0.020 . 2 . . . . 28 VAL HG2 . 16996 1 353 . 1 1 28 28 VAL HG22 H 1 0.842 0.020 . 2 . . . . 28 VAL HG2 . 16996 1 354 . 1 1 28 28 VAL HG23 H 1 0.842 0.020 . 2 . . . . 28 VAL HG2 . 16996 1 355 . 1 1 28 28 VAL C C 13 174.868 0.400 . 1 . . . . 28 VAL C . 16996 1 356 . 1 1 28 28 VAL CA C 13 67.727 0.400 . 1 . . . . 28 VAL CA . 16996 1 357 . 1 1 28 28 VAL CB C 13 31.801 0.400 . 1 . . . . 28 VAL CB . 16996 1 358 . 1 1 28 28 VAL CG1 C 13 22.232 0.400 . 1 . . . . 28 VAL CG1 . 16996 1 359 . 1 1 28 28 VAL CG2 C 13 23.489 0.400 . 1 . . . . 28 VAL CG2 . 16996 1 360 . 1 1 28 28 VAL N N 15 119.348 0.400 . 1 . . . . 28 VAL N . 16996 1 361 . 1 1 29 29 VAL H H 1 7.988 0.020 . 1 . . . . 29 VAL H . 16996 1 362 . 1 1 29 29 VAL HA H 1 3.720 0.020 . 1 . . . . 29 VAL HA . 16996 1 363 . 1 1 29 29 VAL HB H 1 1.989 0.020 . 1 . . . . 29 VAL HB . 16996 1 364 . 1 1 29 29 VAL HG11 H 1 0.996 0.020 . 2 . . . . 29 VAL HG1 . 16996 1 365 . 1 1 29 29 VAL HG12 H 1 0.996 0.020 . 2 . . . . 29 VAL HG1 . 16996 1 366 . 1 1 29 29 VAL HG13 H 1 0.996 0.020 . 2 . . . . 29 VAL HG1 . 16996 1 367 . 1 1 29 29 VAL HG21 H 1 0.927 0.020 . 2 . . . . 29 VAL HG2 . 16996 1 368 . 1 1 29 29 VAL HG22 H 1 0.927 0.020 . 2 . . . . 29 VAL HG2 . 16996 1 369 . 1 1 29 29 VAL HG23 H 1 0.927 0.020 . 2 . . . . 29 VAL HG2 . 16996 1 370 . 1 1 29 29 VAL C C 13 177.858 0.400 . 1 . . . . 29 VAL C . 16996 1 371 . 1 1 29 29 VAL CA C 13 66.280 0.400 . 1 . . . . 29 VAL CA . 16996 1 372 . 1 1 29 29 VAL CB C 13 31.746 0.400 . 1 . . . . 29 VAL CB . 16996 1 373 . 1 1 29 29 VAL CG1 C 13 23.399 0.400 . 1 . . . . 29 VAL CG1 . 16996 1 374 . 1 1 29 29 VAL CG2 C 13 21.014 0.400 . 1 . . . . 29 VAL CG2 . 16996 1 375 . 1 1 29 29 VAL N N 15 117.724 0.400 . 1 . . . . 29 VAL N . 16996 1 376 . 1 1 30 30 ASP H H 1 7.859 0.020 . 1 . . . . 30 ASP H . 16996 1 377 . 1 1 30 30 ASP HA H 1 4.294 0.020 . 1 . . . . 30 ASP HA . 16996 1 378 . 1 1 30 30 ASP HB2 H 1 2.761 0.020 . 2 . . . . 30 ASP HB2 . 16996 1 379 . 1 1 30 30 ASP HB3 H 1 3.188 0.020 . 2 . . . . 30 ASP HB3 . 16996 1 380 . 1 1 30 30 ASP C C 13 176.388 0.400 . 1 . . . . 30 ASP C . 16996 1 381 . 1 1 30 30 ASP CA C 13 57.442 0.400 . 1 . . . . 30 ASP CA . 16996 1 382 . 1 1 30 30 ASP CB C 13 42.283 0.400 . 1 . . . . 30 ASP CB . 16996 1 383 . 1 1 30 30 ASP N N 15 122.212 0.400 . 1 . . . . 30 ASP N . 16996 1 384 . 1 1 31 31 LEU H H 1 7.605 0.020 . 1 . . . . 31 LEU H . 16996 1 385 . 1 1 31 31 LEU HA H 1 4.058 0.020 . 1 . . . . 31 LEU HA . 16996 1 386 . 1 1 31 31 LEU HB2 H 1 1.464 0.020 . 2 . . . . 31 LEU HB2 . 16996 1 387 . 1 1 31 31 LEU HB3 H 1 2.010 0.020 . 2 . . . . 31 LEU HB3 . 16996 1 388 . 1 1 31 31 LEU HD11 H 1 0.874 0.020 . 2 . . . . 31 LEU HD1 . 16996 1 389 . 1 1 31 31 LEU HD12 H 1 0.874 0.020 . 2 . . . . 31 LEU HD1 . 16996 1 390 . 1 1 31 31 LEU HD13 H 1 0.874 0.020 . 2 . . . . 31 LEU HD1 . 16996 1 391 . 1 1 31 31 LEU HD21 H 1 0.836 0.020 . 2 . . . . 31 LEU HD2 . 16996 1 392 . 1 1 31 31 LEU HD22 H 1 0.836 0.020 . 2 . . . . 31 LEU HD2 . 16996 1 393 . 1 1 31 31 LEU HD23 H 1 0.836 0.020 . 2 . . . . 31 LEU HD2 . 16996 1 394 . 1 1 31 31 LEU C C 13 177.872 0.400 . 1 . . . . 31 LEU C . 16996 1 395 . 1 1 31 31 LEU CA C 13 58.079 0.400 . 1 . . . . 31 LEU CA . 16996 1 396 . 1 1 31 31 LEU CB C 13 42.223 0.400 . 1 . . . . 31 LEU CB . 16996 1 397 . 1 1 31 31 LEU CD2 C 13 26.622 0.400 . 1 . . . . 31 LEU CD2 . 16996 1 398 . 1 1 31 31 LEU CG C 13 24.101 0.400 . 1 . . . . 31 LEU CG . 16996 1 399 . 1 1 31 31 LEU N N 15 118.950 0.400 . 1 . . . . 31 LEU N . 16996 1 400 . 1 1 32 32 VAL H H 1 8.493 0.020 . 1 . . . . 32 VAL H . 16996 1 401 . 1 1 32 32 VAL HA H 1 3.742 0.020 . 1 . . . . 32 VAL HA . 16996 1 402 . 1 1 32 32 VAL HB H 1 2.289 0.020 . 1 . . . . 32 VAL HB . 16996 1 403 . 1 1 32 32 VAL HG11 H 1 1.062 0.020 . 2 . . . . 32 VAL HG1 . 16996 1 404 . 1 1 32 32 VAL HG12 H 1 1.062 0.020 . 2 . . . . 32 VAL HG1 . 16996 1 405 . 1 1 32 32 VAL HG13 H 1 1.062 0.020 . 2 . . . . 32 VAL HG1 . 16996 1 406 . 1 1 32 32 VAL HG21 H 1 1.029 0.020 . 2 . . . . 32 VAL HG2 . 16996 1 407 . 1 1 32 32 VAL HG22 H 1 1.029 0.020 . 2 . . . . 32 VAL HG2 . 16996 1 408 . 1 1 32 32 VAL HG23 H 1 1.029 0.020 . 2 . . . . 32 VAL HG2 . 16996 1 409 . 1 1 32 32 VAL C C 13 178.474 0.400 . 1 . . . . 32 VAL C . 16996 1 410 . 1 1 32 32 VAL CA C 13 65.611 0.400 . 1 . . . . 32 VAL CA . 16996 1 411 . 1 1 32 32 VAL CB C 13 31.923 0.400 . 1 . . . . 32 VAL CB . 16996 1 412 . 1 1 32 32 VAL CG1 C 13 21.957 0.400 . 1 . . . . 32 VAL CG1 . 16996 1 413 . 1 1 32 32 VAL CG2 C 13 22.256 0.400 . 1 . . . . 32 VAL CG2 . 16996 1 414 . 1 1 32 32 VAL N N 15 112.941 0.400 . 1 . . . . 32 VAL N . 16996 1 415 . 1 1 33 33 SER H H 1 7.718 0.020 . 1 . . . . 33 SER H . 16996 1 416 . 1 1 33 33 SER HA H 1 4.608 0.020 . 1 . . . . 33 SER HA . 16996 1 417 . 1 1 33 33 SER HB2 H 1 3.997 0.020 . 2 . . . . 33 SER HB2 . 16996 1 418 . 1 1 33 33 SER HB3 H 1 3.953 0.020 . 2 . . . . 33 SER HB3 . 16996 1 419 . 1 1 33 33 SER C C 13 177.049 0.400 . 1 . . . . 33 SER C . 16996 1 420 . 1 1 33 33 SER CA C 13 58.830 0.400 . 1 . . . . 33 SER CA . 16996 1 421 . 1 1 33 33 SER CB C 13 64.500 0.400 . 1 . . . . 33 SER CB . 16996 1 422 . 1 1 33 33 SER N N 15 113.131 0.400 . 1 . . . . 33 SER N . 16996 1 423 . 1 1 34 34 ALA H H 1 7.091 0.020 . 1 . . . . 34 ALA H . 16996 1 424 . 1 1 34 34 ALA HA H 1 4.260 0.020 . 1 . . . . 34 ALA HA . 16996 1 425 . 1 1 34 34 ALA HB1 H 1 1.502 0.020 . 1 . . . . 34 ALA HB . 16996 1 426 . 1 1 34 34 ALA HB2 H 1 1.502 0.020 . 1 . . . . 34 ALA HB . 16996 1 427 . 1 1 34 34 ALA HB3 H 1 1.502 0.020 . 1 . . . . 34 ALA HB . 16996 1 428 . 1 1 34 34 ALA C C 13 173.643 0.400 . 1 . . . . 34 ALA C . 16996 1 429 . 1 1 34 34 ALA CA C 13 52.458 0.400 . 1 . . . . 34 ALA CA . 16996 1 430 . 1 1 34 34 ALA CB C 13 20.343 0.400 . 1 . . . . 34 ALA CB . 16996 1 431 . 1 1 34 34 ALA N N 15 124.240 0.400 . 1 . . . . 34 ALA N . 16996 1 432 . 1 1 35 35 ASP H H 1 8.606 0.020 . 1 . . . . 35 ASP H . 16996 1 433 . 1 1 35 35 ASP HA H 1 4.806 0.020 . 1 . . . . 35 ASP HA . 16996 1 434 . 1 1 35 35 ASP HB2 H 1 3.107 0.020 . 2 . . . . 35 ASP HB2 . 16996 1 435 . 1 1 35 35 ASP HB3 H 1 2.668 0.020 . 2 . . . . 35 ASP HB3 . 16996 1 436 . 1 1 35 35 ASP C C 13 176.529 0.400 . 1 . . . . 35 ASP C . 16996 1 437 . 1 1 35 35 ASP CA C 13 53.267 0.400 . 1 . . . . 35 ASP CA . 16996 1 438 . 1 1 35 35 ASP CB C 13 40.094 0.400 . 1 . . . . 35 ASP CB . 16996 1 439 . 1 1 35 35 ASP N N 15 119.338 0.400 . 1 . . . . 35 ASP N . 16996 1 440 . 1 1 36 36 LEU H H 1 8.643 0.020 . 1 . . . . 36 LEU H . 16996 1 441 . 1 1 36 36 LEU HA H 1 4.046 0.020 . 1 . . . . 36 LEU HA . 16996 1 442 . 1 1 36 36 LEU HB2 H 1 2.042 0.020 . 2 . . . . 36 LEU HB2 . 16996 1 443 . 1 1 36 36 LEU HB3 H 1 1.512 0.020 . 2 . . . . 36 LEU HB3 . 16996 1 444 . 1 1 36 36 LEU HD11 H 1 0.822 0.020 . 2 . . . . 36 LEU HD1 . 16996 1 445 . 1 1 36 36 LEU HD12 H 1 0.822 0.020 . 2 . . . . 36 LEU HD1 . 16996 1 446 . 1 1 36 36 LEU HD13 H 1 0.822 0.020 . 2 . . . . 36 LEU HD1 . 16996 1 447 . 1 1 36 36 LEU HD21 H 1 0.847 0.020 . 2 . . . . 36 LEU HD2 . 16996 1 448 . 1 1 36 36 LEU HD22 H 1 0.847 0.020 . 2 . . . . 36 LEU HD2 . 16996 1 449 . 1 1 36 36 LEU HD23 H 1 0.847 0.020 . 2 . . . . 36 LEU HD2 . 16996 1 450 . 1 1 36 36 LEU C C 13 176.767 0.400 . 1 . . . . 36 LEU C . 16996 1 451 . 1 1 36 36 LEU CA C 13 57.863 0.400 . 1 . . . . 36 LEU CA . 16996 1 452 . 1 1 36 36 LEU CB C 13 41.317 0.400 . 1 . . . . 36 LEU CB . 16996 1 453 . 1 1 36 36 LEU CD1 C 13 26.476 0.400 . 1 . . . . 36 LEU CD1 . 16996 1 454 . 1 1 36 36 LEU CD2 C 13 22.307 0.400 . 1 . . . . 36 LEU CD2 . 16996 1 455 . 1 1 36 36 LEU CG C 13 26.060 0.400 . 1 . . . . 36 LEU CG . 16996 1 456 . 1 1 36 36 LEU N N 15 124.708 0.400 . 1 . . . . 36 LEU N . 16996 1 457 . 1 1 37 37 GLU H H 1 8.352 0.020 . 1 . . . . 37 GLU H . 16996 1 458 . 1 1 37 37 GLU HA H 1 3.950 0.020 . 1 . . . . 37 GLU HA . 16996 1 459 . 1 1 37 37 GLU HB2 H 1 1.982 0.020 . 2 . . . . 37 GLU HB2 . 16996 1 460 . 1 1 37 37 GLU HB3 H 1 1.982 0.020 . 2 . . . . 37 GLU HB3 . 16996 1 461 . 1 1 37 37 GLU HG2 H 1 2.023 0.020 . 2 . . . . 37 GLU HG2 . 16996 1 462 . 1 1 37 37 GLU HG3 H 1 1.828 0.020 . 2 . . . . 37 GLU HG3 . 16996 1 463 . 1 1 37 37 GLU C C 13 178.915 0.400 . 1 . . . . 37 GLU C . 16996 1 464 . 1 1 37 37 GLU CA C 13 60.413 0.400 . 1 . . . . 37 GLU CA . 16996 1 465 . 1 1 37 37 GLU CB C 13 29.632 0.400 . 1 . . . . 37 GLU CB . 16996 1 466 . 1 1 37 37 GLU CG C 13 37.249 0.400 . 1 . . . . 37 GLU CG . 16996 1 467 . 1 1 37 37 GLU N N 15 120.047 0.400 . 1 . . . . 37 GLU N . 16996 1 468 . 1 1 38 38 GLU H H 1 7.387 0.020 . 1 . . . . 38 GLU H . 16996 1 469 . 1 1 38 38 GLU HA H 1 4.089 0.020 . 1 . . . . 38 GLU HA . 16996 1 470 . 1 1 38 38 GLU HB2 H 1 2.256 0.020 . 2 . . . . 38 GLU HB2 . 16996 1 471 . 1 1 38 38 GLU HB3 H 1 2.065 0.020 . 2 . . . . 38 GLU HB3 . 16996 1 472 . 1 1 38 38 GLU HG2 H 1 2.369 0.020 . 2 . . . . 38 GLU HG2 . 16996 1 473 . 1 1 38 38 GLU HG3 H 1 2.174 0.020 . 2 . . . . 38 GLU HG3 . 16996 1 474 . 1 1 38 38 GLU C C 13 178.923 0.400 . 1 . . . . 38 GLU C . 16996 1 475 . 1 1 38 38 GLU CA C 13 59.317 0.400 . 1 . . . . 38 GLU CA . 16996 1 476 . 1 1 38 38 GLU CB C 13 29.771 0.400 . 1 . . . . 38 GLU CB . 16996 1 477 . 1 1 38 38 GLU CG C 13 36.708 0.400 . 1 . . . . 38 GLU CG . 16996 1 478 . 1 1 38 38 GLU N N 15 121.398 0.400 . 1 . . . . 38 GLU N . 16996 1 479 . 1 1 39 39 VAL H H 1 8.251 0.020 . 1 . . . . 39 VAL H . 16996 1 480 . 1 1 39 39 VAL HA H 1 3.321 0.020 . 1 . . . . 39 VAL HA . 16996 1 481 . 1 1 39 39 VAL HB H 1 1.943 0.020 . 1 . . . . 39 VAL HB . 16996 1 482 . 1 1 39 39 VAL HG11 H 1 1.044 0.020 . 2 . . . . 39 VAL HG1 . 16996 1 483 . 1 1 39 39 VAL HG12 H 1 1.044 0.020 . 2 . . . . 39 VAL HG1 . 16996 1 484 . 1 1 39 39 VAL HG13 H 1 1.044 0.020 . 2 . . . . 39 VAL HG1 . 16996 1 485 . 1 1 39 39 VAL HG21 H 1 0.731 0.020 . 2 . . . . 39 VAL HG2 . 16996 1 486 . 1 1 39 39 VAL HG22 H 1 0.731 0.020 . 2 . . . . 39 VAL HG2 . 16996 1 487 . 1 1 39 39 VAL HG23 H 1 0.731 0.020 . 2 . . . . 39 VAL HG2 . 16996 1 488 . 1 1 39 39 VAL C C 13 178.824 0.400 . 1 . . . . 39 VAL C . 16996 1 489 . 1 1 39 39 VAL CA C 13 67.050 0.400 . 1 . . . . 39 VAL CA . 16996 1 490 . 1 1 39 39 VAL CB C 13 32.312 0.400 . 1 . . . . 39 VAL CB . 16996 1 491 . 1 1 39 39 VAL CG1 C 13 23.913 0.400 . 1 . . . . 39 VAL CG1 . 16996 1 492 . 1 1 39 39 VAL CG2 C 13 22.872 0.400 . 1 . . . . 39 VAL CG2 . 16996 1 493 . 1 1 39 39 VAL N N 15 118.757 0.400 . 1 . . . . 39 VAL N . 16996 1 494 . 1 1 40 40 ALA H H 1 8.399 0.020 . 1 . . . . 40 ALA H . 16996 1 495 . 1 1 40 40 ALA HA H 1 3.812 0.020 . 1 . . . . 40 ALA HA . 16996 1 496 . 1 1 40 40 ALA HB1 H 1 1.667 0.020 . 1 . . . . 40 ALA HB . 16996 1 497 . 1 1 40 40 ALA HB2 H 1 1.667 0.020 . 1 . . . . 40 ALA HB . 16996 1 498 . 1 1 40 40 ALA HB3 H 1 1.667 0.020 . 1 . . . . 40 ALA HB . 16996 1 499 . 1 1 40 40 ALA C C 13 177.849 0.400 . 1 . . . . 40 ALA C . 16996 1 500 . 1 1 40 40 ALA CA C 13 56.565 0.400 . 1 . . . . 40 ALA CA . 16996 1 501 . 1 1 40 40 ALA CB C 13 18.109 0.400 . 1 . . . . 40 ALA CB . 16996 1 502 . 1 1 40 40 ALA N N 15 121.279 0.400 . 1 . . . . 40 ALA N . 16996 1 503 . 1 1 41 41 GLN H H 1 7.525 0.020 . 1 . . . . 41 GLN H . 16996 1 504 . 1 1 41 41 GLN HA H 1 4.089 0.020 . 1 . . . . 41 GLN HA . 16996 1 505 . 1 1 41 41 GLN HB2 H 1 2.254 0.020 . 2 . . . . 41 GLN HB2 . 16996 1 506 . 1 1 41 41 GLN HB3 H 1 2.215 0.020 . 2 . . . . 41 GLN HB3 . 16996 1 507 . 1 1 41 41 GLN HE21 H 1 7.638 0.020 . 2 . . . . 41 GLN HE21 . 16996 1 508 . 1 1 41 41 GLN HE22 H 1 6.927 0.020 . 2 . . . . 41 GLN HE22 . 16996 1 509 . 1 1 41 41 GLN HG2 H 1 2.552 0.020 . 2 . . . . 41 GLN HG2 . 16996 1 510 . 1 1 41 41 GLN HG3 H 1 2.435 0.020 . 2 . . . . 41 GLN HG3 . 16996 1 511 . 1 1 41 41 GLN C C 13 179.813 0.400 . 1 . . . . 41 GLN C . 16996 1 512 . 1 1 41 41 GLN CA C 13 58.933 0.400 . 1 . . . . 41 GLN CA . 16996 1 513 . 1 1 41 41 GLN CB C 13 28.755 0.400 . 1 . . . . 41 GLN CB . 16996 1 514 . 1 1 41 41 GLN CG C 13 33.972 0.400 . 1 . . . . 41 GLN CG . 16996 1 515 . 1 1 41 41 GLN N N 15 115.483 0.400 . 1 . . . . 41 GLN N . 16996 1 516 . 1 1 41 41 GLN NE2 N 15 112.956 0.400 . 1 . . . . 41 GLN NE2 . 16996 1 517 . 1 1 42 42 LYS H H 1 8.344 0.020 . 1 . . . . 42 LYS H . 16996 1 518 . 1 1 42 42 LYS HA H 1 4.097 0.020 . 1 . . . . 42 LYS HA . 16996 1 519 . 1 1 42 42 LYS HB2 H 1 1.762 0.020 . 2 . . . . 42 LYS HB2 . 16996 1 520 . 1 1 42 42 LYS HB3 H 1 1.617 0.020 . 2 . . . . 42 LYS HB3 . 16996 1 521 . 1 1 42 42 LYS HD2 H 1 1.717 0.020 . 2 . . . . 42 LYS HD2 . 16996 1 522 . 1 1 42 42 LYS HD3 H 1 1.641 0.020 . 2 . . . . 42 LYS HD3 . 16996 1 523 . 1 1 42 42 LYS HE2 H 1 2.993 0.020 . 2 . . . . 42 LYS HE2 . 16996 1 524 . 1 1 42 42 LYS HE3 H 1 2.993 0.020 . 2 . . . . 42 LYS HE3 . 16996 1 525 . 1 1 42 42 LYS HG2 H 1 1.574 0.020 . 2 . . . . 42 LYS HG2 . 16996 1 526 . 1 1 42 42 LYS HG3 H 1 1.498 0.020 . 2 . . . . 42 LYS HG3 . 16996 1 527 . 1 1 42 42 LYS C C 13 179.055 0.400 . 1 . . . . 42 LYS C . 16996 1 528 . 1 1 42 42 LYS CA C 13 58.882 0.400 . 1 . . . . 42 LYS CA . 16996 1 529 . 1 1 42 42 LYS CB C 13 33.111 0.400 . 1 . . . . 42 LYS CB . 16996 1 530 . 1 1 42 42 LYS CD C 13 29.121 0.400 . 1 . . . . 42 LYS CD . 16996 1 531 . 1 1 42 42 LYS CG C 13 25.580 0.400 . 1 . . . . 42 LYS CG . 16996 1 532 . 1 1 42 42 LYS N N 15 118.017 0.400 . 1 . . . . 42 LYS N . 16996 1 533 . 1 1 43 43 CYS H H 1 8.090 0.020 . 1 . . . . 43 CYS H . 16996 1 534 . 1 1 43 43 CYS HA H 1 4.374 0.020 . 1 . . . . 43 CYS HA . 16996 1 535 . 1 1 43 43 CYS HB2 H 1 2.750 0.020 . 2 . . . . 43 CYS HB2 . 16996 1 536 . 1 1 43 43 CYS HB3 H 1 2.708 0.020 . 2 . . . . 43 CYS HB3 . 16996 1 537 . 1 1 43 43 CYS C C 13 178.581 0.400 . 1 . . . . 43 CYS C . 16996 1 538 . 1 1 43 43 CYS CA C 13 59.887 0.400 . 1 . . . . 43 CYS CA . 16996 1 539 . 1 1 43 43 CYS CB C 13 29.487 0.400 . 1 . . . . 43 CYS CB . 16996 1 540 . 1 1 43 43 CYS N N 15 112.037 0.400 . 1 . . . . 43 CYS N . 16996 1 541 . 1 1 44 44 GLY H H 1 7.743 0.020 . 1 . . . . 44 GLY H . 16996 1 542 . 1 1 44 44 GLY HA2 H 1 3.999 0.020 . 2 . . . . 44 GLY HA2 . 16996 1 543 . 1 1 44 44 GLY HA3 H 1 3.957 0.020 . 2 . . . . 44 GLY HA3 . 16996 1 544 . 1 1 44 44 GLY C C 13 174.565 0.400 . 1 . . . . 44 GLY C . 16996 1 545 . 1 1 44 44 GLY CA C 13 46.964 0.400 . 1 . . . . 44 GLY CA . 16996 1 546 . 1 1 44 44 GLY N N 15 109.562 0.400 . 1 . . . . 44 GLY N . 16996 1 547 . 1 1 45 45 LEU H H 1 7.654 0.020 . 1 . . . . 45 LEU H . 16996 1 548 . 1 1 45 45 LEU HA H 1 4.609 0.020 . 1 . . . . 45 LEU HA . 16996 1 549 . 1 1 45 45 LEU HB2 H 1 1.478 0.020 . 2 . . . . 45 LEU HB2 . 16996 1 550 . 1 1 45 45 LEU HB3 H 1 1.373 0.020 . 2 . . . . 45 LEU HB3 . 16996 1 551 . 1 1 45 45 LEU HD11 H 1 0.934 0.020 . 2 . . . . 45 LEU HD1 . 16996 1 552 . 1 1 45 45 LEU HD12 H 1 0.934 0.020 . 2 . . . . 45 LEU HD1 . 16996 1 553 . 1 1 45 45 LEU HD13 H 1 0.934 0.020 . 2 . . . . 45 LEU HD1 . 16996 1 554 . 1 1 45 45 LEU HD21 H 1 0.821 0.020 . 2 . . . . 45 LEU HD2 . 16996 1 555 . 1 1 45 45 LEU HD22 H 1 0.821 0.020 . 2 . . . . 45 LEU HD2 . 16996 1 556 . 1 1 45 45 LEU HD23 H 1 0.821 0.020 . 2 . . . . 45 LEU HD2 . 16996 1 557 . 1 1 45 45 LEU HG H 1 1.464 0.020 . 1 . . . . 45 LEU HG . 16996 1 558 . 1 1 45 45 LEU C C 13 174.674 0.400 . 1 . . . . 45 LEU C . 16996 1 559 . 1 1 45 45 LEU CA C 13 52.976 0.400 . 1 . . . . 45 LEU CA . 16996 1 560 . 1 1 45 45 LEU CB C 13 46.088 0.400 . 1 . . . . 45 LEU CB . 16996 1 561 . 1 1 45 45 LEU CD1 C 13 23.975 0.400 . 1 . . . . 45 LEU CD1 . 16996 1 562 . 1 1 45 45 LEU CG C 13 26.668 0.400 . 1 . . . . 45 LEU CG . 16996 1 563 . 1 1 45 45 LEU N N 15 118.790 0.400 . 1 . . . . 45 LEU N . 16996 1 564 . 1 1 46 46 SER H H 1 8.351 0.020 . 1 . . . . 46 SER H . 16996 1 565 . 1 1 46 46 SER HA H 1 4.520 0.020 . 1 . . . . 46 SER HA . 16996 1 566 . 1 1 46 46 SER HB2 H 1 4.137 0.020 . 2 . . . . 46 SER HB2 . 16996 1 567 . 1 1 46 46 SER HB3 H 1 3.922 0.020 . 2 . . . . 46 SER HB3 . 16996 1 568 . 1 1 46 46 SER C C 13 175.491 0.400 . 1 . . . . 46 SER C . 16996 1 569 . 1 1 46 46 SER CA C 13 57.135 0.400 . 1 . . . . 46 SER CA . 16996 1 570 . 1 1 46 46 SER CB C 13 63.564 0.400 . 1 . . . . 46 SER CB . 16996 1 571 . 1 1 46 46 SER N N 15 113.824 0.400 . 1 . . . . 46 SER N . 16996 1 572 . 1 1 47 47 TYR H H 1 8.995 0.020 . 1 . . . . 47 TYR H . 16996 1 573 . 1 1 47 47 TYR HA H 1 4.063 0.020 . 1 . . . . 47 TYR HA . 16996 1 574 . 1 1 47 47 TYR HB2 H 1 3.212 0.020 . 2 . . . . 47 TYR HB2 . 16996 1 575 . 1 1 47 47 TYR HB3 H 1 2.979 0.020 . 2 . . . . 47 TYR HB3 . 16996 1 576 . 1 1 47 47 TYR HD1 H 1 6.919 0.020 . 1 . . . . 47 TYR HD1 . 16996 1 577 . 1 1 47 47 TYR HD2 H 1 6.919 0.020 . 1 . . . . 47 TYR HD2 . 16996 1 578 . 1 1 47 47 TYR HE1 H 1 6.733 0.020 . 1 . . . . 47 TYR HE1 . 16996 1 579 . 1 1 47 47 TYR HE2 H 1 6.733 0.020 . 1 . . . . 47 TYR HE2 . 16996 1 580 . 1 1 47 47 TYR C C 13 175.710 0.400 . 1 . . . . 47 TYR C . 16996 1 581 . 1 1 47 47 TYR CA C 13 61.995 0.400 . 1 . . . . 47 TYR CA . 16996 1 582 . 1 1 47 47 TYR CB C 13 38.701 0.400 . 1 . . . . 47 TYR CB . 16996 1 583 . 1 1 47 47 TYR CD1 C 13 132.875 0.400 . 1 . . . . 47 TYR CD1 . 16996 1 584 . 1 1 47 47 TYR CE1 C 13 118.952 0.400 . 1 . . . . 47 TYR CE1 . 16996 1 585 . 1 1 47 47 TYR N N 15 129.535 0.400 . 1 . . . . 47 TYR N . 16996 1 586 . 1 1 48 48 LYS H H 1 8.328 0.020 . 1 . . . . 48 LYS H . 16996 1 587 . 1 1 48 48 LYS HA H 1 3.679 0.020 . 1 . . . . 48 LYS HA . 16996 1 588 . 1 1 48 48 LYS HB2 H 1 1.799 0.020 . 2 . . . . 48 LYS HB2 . 16996 1 589 . 1 1 48 48 LYS HB3 H 1 1.799 0.020 . 2 . . . . 48 LYS HB3 . 16996 1 590 . 1 1 48 48 LYS HD2 H 1 1.738 0.020 . 2 . . . . 48 LYS HD2 . 16996 1 591 . 1 1 48 48 LYS HD3 H 1 1.738 0.020 . 2 . . . . 48 LYS HD3 . 16996 1 592 . 1 1 48 48 LYS HE2 H 1 3.056 0.020 . 2 . . . . 48 LYS HE2 . 16996 1 593 . 1 1 48 48 LYS HE3 H 1 3.056 0.020 . 2 . . . . 48 LYS HE3 . 16996 1 594 . 1 1 48 48 LYS HG2 H 1 1.627 0.020 . 2 . . . . 48 LYS HG2 . 16996 1 595 . 1 1 48 48 LYS HG3 H 1 1.459 0.020 . 2 . . . . 48 LYS HG3 . 16996 1 596 . 1 1 48 48 LYS C C 13 176.638 0.400 . 1 . . . . 48 LYS C . 16996 1 597 . 1 1 48 48 LYS CA C 13 59.983 0.400 . 1 . . . . 48 LYS CA . 16996 1 598 . 1 1 48 48 LYS CB C 13 32.435 0.400 . 1 . . . . 48 LYS CB . 16996 1 599 . 1 1 48 48 LYS CD C 13 29.481 0.400 . 1 . . . . 48 LYS CD . 16996 1 600 . 1 1 48 48 LYS CE C 13 42.446 0.400 . 1 . . . . 48 LYS CE . 16996 1 601 . 1 1 48 48 LYS CG C 13 25.877 0.400 . 1 . . . . 48 LYS CG . 16996 1 602 . 1 1 48 48 LYS N N 15 116.751 0.400 . 1 . . . . 48 LYS N . 16996 1 603 . 1 1 49 49 ALA H H 1 7.591 0.020 . 1 . . . . 49 ALA H . 16996 1 604 . 1 1 49 49 ALA HA H 1 4.187 0.020 . 1 . . . . 49 ALA HA . 16996 1 605 . 1 1 49 49 ALA HB1 H 1 1.542 0.020 . 1 . . . . 49 ALA HB . 16996 1 606 . 1 1 49 49 ALA HB2 H 1 1.542 0.020 . 1 . . . . 49 ALA HB . 16996 1 607 . 1 1 49 49 ALA HB3 H 1 1.542 0.020 . 1 . . . . 49 ALA HB . 16996 1 608 . 1 1 49 49 ALA C C 13 179.341 0.400 . 1 . . . . 49 ALA C . 16996 1 609 . 1 1 49 49 ALA CA C 13 54.846 0.400 . 1 . . . . 49 ALA CA . 16996 1 610 . 1 1 49 49 ALA CB C 13 18.508 0.400 . 1 . . . . 49 ALA CB . 16996 1 611 . 1 1 49 49 ALA N N 15 121.789 0.400 . 1 . . . . 49 ALA N . 16996 1 612 . 1 1 50 50 LEU H H 1 7.878 0.020 . 1 . . . . 50 LEU H . 16996 1 613 . 1 1 50 50 LEU HA H 1 4.058 0.020 . 1 . . . . 50 LEU HA . 16996 1 614 . 1 1 50 50 LEU HB2 H 1 2.032 0.020 . 2 . . . . 50 LEU HB2 . 16996 1 615 . 1 1 50 50 LEU HB3 H 1 1.453 0.020 . 2 . . . . 50 LEU HB3 . 16996 1 616 . 1 1 50 50 LEU HD11 H 1 0.855 0.020 . 2 . . . . 50 LEU HD1 . 16996 1 617 . 1 1 50 50 LEU HD12 H 1 0.855 0.020 . 2 . . . . 50 LEU HD1 . 16996 1 618 . 1 1 50 50 LEU HD13 H 1 0.855 0.020 . 2 . . . . 50 LEU HD1 . 16996 1 619 . 1 1 50 50 LEU HD21 H 1 0.820 0.020 . 2 . . . . 50 LEU HD2 . 16996 1 620 . 1 1 50 50 LEU HD22 H 1 0.820 0.020 . 2 . . . . 50 LEU HD2 . 16996 1 621 . 1 1 50 50 LEU HD23 H 1 0.820 0.020 . 2 . . . . 50 LEU HD2 . 16996 1 622 . 1 1 50 50 LEU C C 13 172.247 0.400 . 1 . . . . 50 LEU C . 16996 1 623 . 1 1 50 50 LEU CA C 13 57.853 0.400 . 1 . . . . 50 LEU CA . 16996 1 624 . 1 1 50 50 LEU CB C 13 42.202 0.400 . 1 . . . . 50 LEU CB . 16996 1 625 . 1 1 50 50 LEU CD1 C 13 23.228 0.400 . 1 . . . . 50 LEU CD1 . 16996 1 626 . 1 1 50 50 LEU CD2 C 13 26.674 0.400 . 1 . . . . 50 LEU CD2 . 16996 1 627 . 1 1 50 50 LEU CG C 13 30.821 0.400 . 1 . . . . 50 LEU CG . 16996 1 628 . 1 1 50 50 LEU N N 15 119.718 0.400 . 1 . . . . 50 LEU N . 16996 1 629 . 1 1 51 51 VAL H H 1 8.326 0.020 . 1 . . . . 51 VAL H . 16996 1 630 . 1 1 51 51 VAL HA H 1 3.310 0.020 . 1 . . . . 51 VAL HA . 16996 1 631 . 1 1 51 51 VAL HB H 1 1.789 0.020 . 1 . . . . 51 VAL HB . 16996 1 632 . 1 1 51 51 VAL HG11 H 1 0.833 0.020 . 2 . . . . 51 VAL HG1 . 16996 1 633 . 1 1 51 51 VAL HG12 H 1 0.833 0.020 . 2 . . . . 51 VAL HG1 . 16996 1 634 . 1 1 51 51 VAL HG13 H 1 0.833 0.020 . 2 . . . . 51 VAL HG1 . 16996 1 635 . 1 1 51 51 VAL HG21 H 1 0.474 0.020 . 2 . . . . 51 VAL HG2 . 16996 1 636 . 1 1 51 51 VAL HG22 H 1 0.474 0.020 . 2 . . . . 51 VAL HG2 . 16996 1 637 . 1 1 51 51 VAL HG23 H 1 0.474 0.020 . 2 . . . . 51 VAL HG2 . 16996 1 638 . 1 1 51 51 VAL C C 13 178.189 0.400 . 1 . . . . 51 VAL C . 16996 1 639 . 1 1 51 51 VAL CA C 13 66.747 0.400 . 1 . . . . 51 VAL CA . 16996 1 640 . 1 1 51 51 VAL CB C 13 31.957 0.400 . 1 . . . . 51 VAL CB . 16996 1 641 . 1 1 51 51 VAL CG1 C 13 21.365 0.400 . 1 . . . . 51 VAL CG1 . 16996 1 642 . 1 1 51 51 VAL CG2 C 13 23.050 0.400 . 1 . . . . 51 VAL CG2 . 16996 1 643 . 1 1 51 51 VAL N N 15 120.481 0.400 . 1 . . . . 51 VAL N . 16996 1 644 . 1 1 52 52 ALA H H 1 7.551 0.020 . 1 . . . . 52 ALA H . 16996 1 645 . 1 1 52 52 ALA HA H 1 4.099 0.020 . 1 . . . . 52 ALA HA . 16996 1 646 . 1 1 52 52 ALA HB1 H 1 1.498 0.020 . 1 . . . . 52 ALA HB . 16996 1 647 . 1 1 52 52 ALA HB2 H 1 1.498 0.020 . 1 . . . . 52 ALA HB . 16996 1 648 . 1 1 52 52 ALA HB3 H 1 1.498 0.020 . 1 . . . . 52 ALA HB . 16996 1 649 . 1 1 52 52 ALA C C 13 178.882 0.400 . 1 . . . . 52 ALA C . 16996 1 650 . 1 1 52 52 ALA CA C 13 55.380 0.400 . 1 . . . . 52 ALA CA . 16996 1 651 . 1 1 52 52 ALA CB C 13 18.271 0.400 . 1 . . . . 52 ALA CB . 16996 1 652 . 1 1 52 52 ALA N N 15 122.169 0.400 . 1 . . . . 52 ALA N . 16996 1 653 . 1 1 53 53 LEU H H 1 7.806 0.020 . 1 . . . . 53 LEU H . 16996 1 654 . 1 1 53 53 LEU HA H 1 4.168 0.020 . 1 . . . . 53 LEU HA . 16996 1 655 . 1 1 53 53 LEU HB2 H 1 1.794 0.020 . 2 . . . . 53 LEU HB2 . 16996 1 656 . 1 1 53 53 LEU HB3 H 1 1.762 0.020 . 2 . . . . 53 LEU HB3 . 16996 1 657 . 1 1 53 53 LEU HD11 H 1 0.844 0.020 . 2 . . . . 53 LEU HD1 . 16996 1 658 . 1 1 53 53 LEU HD12 H 1 0.844 0.020 . 2 . . . . 53 LEU HD1 . 16996 1 659 . 1 1 53 53 LEU HD13 H 1 0.844 0.020 . 2 . . . . 53 LEU HD1 . 16996 1 660 . 1 1 53 53 LEU HD21 H 1 0.812 0.020 . 2 . . . . 53 LEU HD2 . 16996 1 661 . 1 1 53 53 LEU HD22 H 1 0.812 0.020 . 2 . . . . 53 LEU HD2 . 16996 1 662 . 1 1 53 53 LEU HD23 H 1 0.812 0.020 . 2 . . . . 53 LEU HD2 . 16996 1 663 . 1 1 53 53 LEU HG H 1 1.659 0.020 . 1 . . . . 53 LEU HG . 16996 1 664 . 1 1 53 53 LEU C C 13 179.707 0.400 . 1 . . . . 53 LEU C . 16996 1 665 . 1 1 53 53 LEU CA C 13 57.887 0.400 . 1 . . . . 53 LEU CA . 16996 1 666 . 1 1 53 53 LEU CB C 13 42.406 0.400 . 1 . . . . 53 LEU CB . 16996 1 667 . 1 1 53 53 LEU CD2 C 13 25.913 0.400 . 1 . . . . 53 LEU CD2 . 16996 1 668 . 1 1 53 53 LEU CG C 13 25.445 0.400 . 1 . . . . 53 LEU CG . 16996 1 669 . 1 1 53 53 LEU N N 15 119.682 0.400 . 1 . . . . 53 LEU N . 16996 1 670 . 1 1 54 54 ARG H H 1 8.365 0.020 . 1 . . . . 54 ARG H . 16996 1 671 . 1 1 54 54 ARG HA H 1 3.750 0.020 . 1 . . . . 54 ARG HA . 16996 1 672 . 1 1 54 54 ARG HB2 H 1 2.185 0.020 . 2 . . . . 54 ARG HB2 . 16996 1 673 . 1 1 54 54 ARG HB3 H 1 1.611 0.020 . 2 . . . . 54 ARG HB3 . 16996 1 674 . 1 1 54 54 ARG HD2 H 1 3.401 0.020 . 2 . . . . 54 ARG HD2 . 16996 1 675 . 1 1 54 54 ARG HD3 H 1 3.263 0.020 . 2 . . . . 54 ARG HD3 . 16996 1 676 . 1 1 54 54 ARG HG2 H 1 1.771 0.020 . 2 . . . . 54 ARG HG2 . 16996 1 677 . 1 1 54 54 ARG HG3 H 1 1.521 0.020 . 2 . . . . 54 ARG HG3 . 16996 1 678 . 1 1 54 54 ARG C C 13 178.060 0.400 . 1 . . . . 54 ARG C . 16996 1 679 . 1 1 54 54 ARG CA C 13 60.646 0.400 . 1 . . . . 54 ARG CA . 16996 1 680 . 1 1 54 54 ARG CB C 13 30.395 0.400 . 1 . . . . 54 ARG CB . 16996 1 681 . 1 1 54 54 ARG CD C 13 44.560 0.400 . 1 . . . . 54 ARG CD . 16996 1 682 . 1 1 54 54 ARG CG C 13 27.928 0.400 . 1 . . . . 54 ARG CG . 16996 1 683 . 1 1 54 54 ARG N N 15 118.460 0.400 . 1 . . . . 54 ARG N . 16996 1 684 . 1 1 55 55 ARG H H 1 7.857 0.020 . 1 . . . . 55 ARG H . 16996 1 685 . 1 1 55 55 ARG HA H 1 3.987 0.020 . 1 . . . . 55 ARG HA . 16996 1 686 . 1 1 55 55 ARG HB2 H 1 2.043 0.020 . 2 . . . . 55 ARG HB2 . 16996 1 687 . 1 1 55 55 ARG HB3 H 1 2.004 0.020 . 2 . . . . 55 ARG HB3 . 16996 1 688 . 1 1 55 55 ARG HD2 H 1 3.243 0.020 . 2 . . . . 55 ARG HD2 . 16996 1 689 . 1 1 55 55 ARG HD3 H 1 3.243 0.020 . 2 . . . . 55 ARG HD3 . 16996 1 690 . 1 1 55 55 ARG HG2 H 1 1.829 0.020 . 2 . . . . 55 ARG HG2 . 16996 1 691 . 1 1 55 55 ARG HG3 H 1 1.648 0.020 . 2 . . . . 55 ARG HG3 . 16996 1 692 . 1 1 55 55 ARG C C 13 176.797 0.400 . 1 . . . . 55 ARG C . 16996 1 693 . 1 1 55 55 ARG CA C 13 60.300 0.400 . 1 . . . . 55 ARG CA . 16996 1 694 . 1 1 55 55 ARG CB C 13 30.402 0.400 . 1 . . . . 55 ARG CB . 16996 1 695 . 1 1 55 55 ARG CD C 13 43.775 0.400 . 1 . . . . 55 ARG CD . 16996 1 696 . 1 1 55 55 ARG CG C 13 27.805 0.400 . 1 . . . . 55 ARG CG . 16996 1 697 . 1 1 55 55 ARG N N 15 117.174 0.400 . 1 . . . . 55 ARG N . 16996 1 698 . 1 1 56 56 VAL H H 1 7.978 0.020 . 1 . . . . 56 VAL H . 16996 1 699 . 1 1 56 56 VAL HA H 1 3.861 0.020 . 1 . . . . 56 VAL HA . 16996 1 700 . 1 1 56 56 VAL HB H 1 2.318 0.020 . 1 . . . . 56 VAL HB . 16996 1 701 . 1 1 56 56 VAL HG11 H 1 1.174 0.020 . 2 . . . . 56 VAL HG1 . 16996 1 702 . 1 1 56 56 VAL HG12 H 1 1.174 0.020 . 2 . . . . 56 VAL HG1 . 16996 1 703 . 1 1 56 56 VAL HG13 H 1 1.174 0.020 . 2 . . . . 56 VAL HG1 . 16996 1 704 . 1 1 56 56 VAL HG21 H 1 1.110 0.020 . 2 . . . . 56 VAL HG2 . 16996 1 705 . 1 1 56 56 VAL HG22 H 1 1.110 0.020 . 2 . . . . 56 VAL HG2 . 16996 1 706 . 1 1 56 56 VAL HG23 H 1 1.110 0.020 . 2 . . . . 56 VAL HG2 . 16996 1 707 . 1 1 56 56 VAL C C 13 179.460 0.400 . 1 . . . . 56 VAL C . 16996 1 708 . 1 1 56 56 VAL CA C 13 66.274 0.400 . 1 . . . . 56 VAL CA . 16996 1 709 . 1 1 56 56 VAL CB C 13 32.131 0.400 . 1 . . . . 56 VAL CB . 16996 1 710 . 1 1 56 56 VAL CG1 C 13 23.098 0.400 . 1 . . . . 56 VAL CG1 . 16996 1 711 . 1 1 56 56 VAL CG2 C 13 22.624 0.400 . 1 . . . . 56 VAL CG2 . 16996 1 712 . 1 1 56 56 VAL N N 15 119.577 0.400 . 1 . . . . 56 VAL N . 16996 1 713 . 1 1 57 57 LEU H H 1 8.435 0.020 . 1 . . . . 57 LEU H . 16996 1 714 . 1 1 57 57 LEU HA H 1 4.127 0.020 . 1 . . . . 57 LEU HA . 16996 1 715 . 1 1 57 57 LEU HB2 H 1 1.964 0.020 . 2 . . . . 57 LEU HB2 . 16996 1 716 . 1 1 57 57 LEU HB3 H 1 1.400 0.020 . 2 . . . . 57 LEU HB3 . 16996 1 717 . 1 1 57 57 LEU HD11 H 1 0.911 0.020 . 2 . . . . 57 LEU HD1 . 16996 1 718 . 1 1 57 57 LEU HD12 H 1 0.911 0.020 . 2 . . . . 57 LEU HD1 . 16996 1 719 . 1 1 57 57 LEU HD13 H 1 0.911 0.020 . 2 . . . . 57 LEU HD1 . 16996 1 720 . 1 1 57 57 LEU HD21 H 1 0.829 0.020 . 2 . . . . 57 LEU HD2 . 16996 1 721 . 1 1 57 57 LEU HD22 H 1 0.829 0.020 . 2 . . . . 57 LEU HD2 . 16996 1 722 . 1 1 57 57 LEU HD23 H 1 0.829 0.020 . 2 . . . . 57 LEU HD2 . 16996 1 723 . 1 1 57 57 LEU C C 13 178.800 0.400 . 1 . . . . 57 LEU C . 16996 1 724 . 1 1 57 57 LEU CA C 13 58.359 0.400 . 1 . . . . 57 LEU CA . 16996 1 725 . 1 1 57 57 LEU CB C 13 42.151 0.400 . 1 . . . . 57 LEU CB . 16996 1 726 . 1 1 57 57 LEU CD1 C 13 24.455 0.400 . 1 . . . . 57 LEU CD1 . 16996 1 727 . 1 1 57 57 LEU CG C 13 24.056 0.400 . 1 . . . . 57 LEU CG . 16996 1 728 . 1 1 57 57 LEU N N 15 121.162 0.400 . 1 . . . . 57 LEU N . 16996 1 729 . 1 1 58 58 LEU H H 1 8.470 0.020 . 1 . . . . 58 LEU H . 16996 1 730 . 1 1 58 58 LEU HA H 1 4.113 0.020 . 1 . . . . 58 LEU HA . 16996 1 731 . 1 1 58 58 LEU HB2 H 1 1.927 0.020 . 2 . . . . 58 LEU HB2 . 16996 1 732 . 1 1 58 58 LEU HB3 H 1 1.534 0.020 . 2 . . . . 58 LEU HB3 . 16996 1 733 . 1 1 58 58 LEU HD11 H 1 0.919 0.020 . 2 . . . . 58 LEU HD1 . 16996 1 734 . 1 1 58 58 LEU HD12 H 1 0.919 0.020 . 2 . . . . 58 LEU HD1 . 16996 1 735 . 1 1 58 58 LEU HD13 H 1 0.919 0.020 . 2 . . . . 58 LEU HD1 . 16996 1 736 . 1 1 58 58 LEU HD21 H 1 0.874 0.020 . 2 . . . . 58 LEU HD2 . 16996 1 737 . 1 1 58 58 LEU HD22 H 1 0.874 0.020 . 2 . . . . 58 LEU HD2 . 16996 1 738 . 1 1 58 58 LEU HD23 H 1 0.874 0.020 . 2 . . . . 58 LEU HD2 . 16996 1 739 . 1 1 58 58 LEU C C 13 179.435 0.400 . 1 . . . . 58 LEU C . 16996 1 740 . 1 1 58 58 LEU CA C 13 57.889 0.400 . 1 . . . . 58 LEU CA . 16996 1 741 . 1 1 58 58 LEU CB C 13 42.098 0.400 . 1 . . . . 58 LEU CB . 16996 1 742 . 1 1 58 58 LEU CD1 C 13 25.756 0.400 . 1 . . . . 58 LEU CD1 . 16996 1 743 . 1 1 58 58 LEU CG C 13 25.697 0.400 . 1 . . . . 58 LEU CG . 16996 1 744 . 1 1 58 58 LEU N N 15 118.213 0.400 . 1 . . . . 58 LEU N . 16996 1 745 . 1 1 59 59 ALA H H 1 7.704 0.020 . 1 . . . . 59 ALA H . 16996 1 746 . 1 1 59 59 ALA HA H 1 4.246 0.020 . 1 . . . . 59 ALA HA . 16996 1 747 . 1 1 59 59 ALA HB1 H 1 1.566 0.020 . 1 . . . . 59 ALA HB . 16996 1 748 . 1 1 59 59 ALA HB2 H 1 1.566 0.020 . 1 . . . . 59 ALA HB . 16996 1 749 . 1 1 59 59 ALA HB3 H 1 1.566 0.020 . 1 . . . . 59 ALA HB . 16996 1 750 . 1 1 59 59 ALA C C 13 179.580 0.400 . 1 . . . . 59 ALA C . 16996 1 751 . 1 1 59 59 ALA CA C 13 54.700 0.400 . 1 . . . . 59 ALA CA . 16996 1 752 . 1 1 59 59 ALA CB C 13 18.518 0.400 . 1 . . . . 59 ALA CB . 16996 1 753 . 1 1 59 59 ALA N N 15 120.548 0.400 . 1 . . . . 59 ALA N . 16996 1 754 . 1 1 60 60 GLN H H 1 7.941 0.020 . 1 . . . . 60 GLN H . 16996 1 755 . 1 1 60 60 GLN HA H 1 4.142 0.020 . 1 . . . . 60 GLN HA . 16996 1 756 . 1 1 60 60 GLN HB2 H 1 2.324 0.020 . 2 . . . . 60 GLN HB2 . 16996 1 757 . 1 1 60 60 GLN HB3 H 1 1.913 0.020 . 2 . . . . 60 GLN HB3 . 16996 1 758 . 1 1 60 60 GLN HG2 H 1 2.157 0.020 . 2 . . . . 60 GLN HG2 . 16996 1 759 . 1 1 60 60 GLN HG3 H 1 2.051 0.020 . 2 . . . . 60 GLN HG3 . 16996 1 760 . 1 1 60 60 GLN C C 13 179.716 0.400 . 1 . . . . 60 GLN C . 16996 1 761 . 1 1 60 60 GLN CA C 13 57.775 0.400 . 1 . . . . 60 GLN CA . 16996 1 762 . 1 1 60 60 GLN CB C 13 29.393 0.400 . 1 . . . . 60 GLN CB . 16996 1 763 . 1 1 60 60 GLN CG C 13 34.060 0.400 . 1 . . . . 60 GLN CG . 16996 1 764 . 1 1 60 60 GLN N N 15 116.584 0.400 . 1 . . . . 60 GLN N . 16996 1 765 . 1 1 61 61 PHE H H 1 7.896 0.020 . 1 . . . . 61 PHE H . 16996 1 766 . 1 1 61 61 PHE HA H 1 4.699 0.020 . 1 . . . . 61 PHE HA . 16996 1 767 . 1 1 61 61 PHE HB2 H 1 3.328 0.020 . 2 . . . . 61 PHE HB2 . 16996 1 768 . 1 1 61 61 PHE HB3 H 1 2.986 0.020 . 2 . . . . 61 PHE HB3 . 16996 1 769 . 1 1 61 61 PHE HD1 H 1 7.409 0.020 . 1 . . . . 61 PHE HD1 . 16996 1 770 . 1 1 61 61 PHE HD2 H 1 7.409 0.020 . 1 . . . . 61 PHE HD2 . 16996 1 771 . 1 1 61 61 PHE C C 13 177.188 0.400 . 1 . . . . 61 PHE C . 16996 1 772 . 1 1 61 61 PHE CA C 13 58.497 0.400 . 1 . . . . 61 PHE CA . 16996 1 773 . 1 1 61 61 PHE CB C 13 39.798 0.400 . 1 . . . . 61 PHE CB . 16996 1 774 . 1 1 61 61 PHE CD1 C 13 132.060 0.400 . 1 . . . . 61 PHE CD1 . 16996 1 775 . 1 1 61 61 PHE N N 15 116.985 0.400 . 1 . . . . 61 PHE N . 16996 1 776 . 1 1 62 62 SER H H 1 7.874 0.020 . 1 . . . . 62 SER H . 16996 1 777 . 1 1 62 62 SER HA H 1 4.431 0.020 . 1 . . . . 62 SER HA . 16996 1 778 . 1 1 62 62 SER HB2 H 1 3.957 0.020 . 2 . . . . 62 SER HB2 . 16996 1 779 . 1 1 62 62 SER HB3 H 1 3.957 0.020 . 2 . . . . 62 SER HB3 . 16996 1 780 . 1 1 62 62 SER C C 13 175.774 0.400 . 1 . . . . 62 SER C . 16996 1 781 . 1 1 62 62 SER CA C 13 59.373 0.400 . 1 . . . . 62 SER CA . 16996 1 782 . 1 1 62 62 SER CB C 13 63.957 0.400 . 1 . . . . 62 SER CB . 16996 1 783 . 1 1 62 62 SER N N 15 115.098 0.400 . 1 . . . . 62 SER N . 16996 1 784 . 1 1 63 63 ALA H H 1 7.990 0.020 . 1 . . . . 63 ALA H . 16996 1 785 . 1 1 63 63 ALA HA H 1 4.321 0.020 . 1 . . . . 63 ALA HA . 16996 1 786 . 1 1 63 63 ALA HB1 H 1 1.282 0.020 . 1 . . . . 63 ALA HB . 16996 1 787 . 1 1 63 63 ALA HB2 H 1 1.282 0.020 . 1 . . . . 63 ALA HB . 16996 1 788 . 1 1 63 63 ALA HB3 H 1 1.282 0.020 . 1 . . . . 63 ALA HB . 16996 1 789 . 1 1 63 63 ALA C C 13 174.135 0.400 . 1 . . . . 63 ALA C . 16996 1 790 . 1 1 63 63 ALA CA C 13 52.703 0.400 . 1 . . . . 63 ALA CA . 16996 1 791 . 1 1 63 63 ALA CB C 13 19.636 0.400 . 1 . . . . 63 ALA CB . 16996 1 792 . 1 1 63 63 ALA N N 15 124.119 0.400 . 1 . . . . 63 ALA N . 16996 1 793 . 1 1 64 64 PHE H H 1 7.931 0.020 . 1 . . . . 64 PHE H . 16996 1 794 . 1 1 64 64 PHE HA H 1 4.862 0.020 . 1 . . . . 64 PHE HA . 16996 1 795 . 1 1 64 64 PHE HB2 H 1 3.164 0.020 . 2 . . . . 64 PHE HB2 . 16996 1 796 . 1 1 64 64 PHE HB3 H 1 2.966 0.020 . 2 . . . . 64 PHE HB3 . 16996 1 797 . 1 1 64 64 PHE HD1 H 1 7.308 0.020 . 1 . . . . 64 PHE HD1 . 16996 1 798 . 1 1 64 64 PHE HD2 H 1 7.308 0.020 . 1 . . . . 64 PHE HD2 . 16996 1 799 . 1 1 64 64 PHE HE1 H 1 7.284 0.020 . 1 . . . . 64 PHE HE1 . 16996 1 800 . 1 1 64 64 PHE HE2 H 1 7.284 0.020 . 1 . . . . 64 PHE HE2 . 16996 1 801 . 1 1 64 64 PHE C C 13 176.736 0.400 . 1 . . . . 64 PHE C . 16996 1 802 . 1 1 64 64 PHE CA C 13 55.939 0.400 . 1 . . . . 64 PHE CA . 16996 1 803 . 1 1 64 64 PHE CB C 13 39.460 0.400 . 1 . . . . 64 PHE CB . 16996 1 804 . 1 1 64 64 PHE CD1 C 13 132.079 0.400 . 1 . . . . 64 PHE CD1 . 16996 1 805 . 1 1 64 64 PHE CE1 C 13 130.000 0.400 . 1 . . . . 64 PHE CE1 . 16996 1 806 . 1 1 64 64 PHE N N 15 119.501 0.400 . 1 . . . . 64 PHE N . 16996 1 807 . 1 1 65 65 PRO HA H 1 4.517 0.020 . 1 . . . . 65 PRO HA . 16996 1 808 . 1 1 65 65 PRO HB2 H 1 2.256 0.020 . 2 . . . . 65 PRO HB2 . 16996 1 809 . 1 1 65 65 PRO HB3 H 1 1.953 0.020 . 2 . . . . 65 PRO HB3 . 16996 1 810 . 1 1 65 65 PRO HD2 H 1 3.772 0.020 . 2 . . . . 65 PRO HD2 . 16996 1 811 . 1 1 65 65 PRO HD3 H 1 3.517 0.020 . 2 . . . . 65 PRO HD3 . 16996 1 812 . 1 1 65 65 PRO HG2 H 1 2.018 0.020 . 2 . . . . 65 PRO HG2 . 16996 1 813 . 1 1 65 65 PRO HG3 H 1 1.994 0.020 . 2 . . . . 65 PRO HG3 . 16996 1 814 . 1 1 65 65 PRO CA C 13 63.369 0.400 . 1 . . . . 65 PRO CA . 16996 1 815 . 1 1 65 65 PRO CB C 13 32.210 0.400 . 1 . . . . 65 PRO CB . 16996 1 816 . 1 1 65 65 PRO CD C 13 51.095 0.400 . 1 . . . . 65 PRO CD . 16996 1 817 . 1 1 65 65 PRO CG C 13 27.691 0.400 . 1 . . . . 65 PRO CG . 16996 1 818 . 1 1 66 66 VAL H H 1 8.228 0.020 . 1 . . . . 66 VAL H . 16996 1 819 . 1 1 66 66 VAL HA H 1 4.148 0.020 . 1 . . . . 66 VAL HA . 16996 1 820 . 1 1 66 66 VAL HB H 1 2.117 0.020 . 1 . . . . 66 VAL HB . 16996 1 821 . 1 1 66 66 VAL HG11 H 1 0.984 0.020 . 2 . . . . 66 VAL HG1 . 16996 1 822 . 1 1 66 66 VAL HG12 H 1 0.984 0.020 . 2 . . . . 66 VAL HG1 . 16996 1 823 . 1 1 66 66 VAL HG13 H 1 0.984 0.020 . 2 . . . . 66 VAL HG1 . 16996 1 824 . 1 1 66 66 VAL C C 13 176.879 0.400 . 1 . . . . 66 VAL C . 16996 1 825 . 1 1 66 66 VAL CA C 13 62.740 0.400 . 1 . . . . 66 VAL CA . 16996 1 826 . 1 1 66 66 VAL CB C 13 33.082 0.400 . 1 . . . . 66 VAL CB . 16996 1 827 . 1 1 66 66 VAL CG1 C 13 21.607 0.400 . 1 . . . . 66 VAL CG1 . 16996 1 828 . 1 1 66 66 VAL N N 15 120.262 0.400 . 1 . . . . 66 VAL N . 16996 1 829 . 1 1 67 67 ASN H H 1 8.484 0.020 . 1 . . . . 67 ASN H . 16996 1 830 . 1 1 67 67 ASN HA H 1 4.780 0.020 . 1 . . . . 67 ASN HA . 16996 1 831 . 1 1 67 67 ASN HB2 H 1 2.876 0.020 . 2 . . . . 67 ASN HB2 . 16996 1 832 . 1 1 67 67 ASN HB3 H 1 2.819 0.020 . 2 . . . . 67 ASN HB3 . 16996 1 833 . 1 1 67 67 ASN C C 13 176.429 0.400 . 1 . . . . 67 ASN C . 16996 1 834 . 1 1 67 67 ASN CA C 13 53.535 0.400 . 1 . . . . 67 ASN CA . 16996 1 835 . 1 1 67 67 ASN CB C 13 39.342 0.400 . 1 . . . . 67 ASN CB . 16996 1 836 . 1 1 67 67 ASN N N 15 121.655 0.400 . 1 . . . . 67 ASN N . 16996 1 837 . 1 1 68 68 GLY H H 1 8.403 0.020 . 1 . . . . 68 GLY H . 16996 1 838 . 1 1 68 68 GLY HA2 H 1 3.969 0.020 . 2 . . . . 68 GLY HA2 . 16996 1 839 . 1 1 68 68 GLY HA3 H 1 3.969 0.020 . 2 . . . . 68 GLY HA3 . 16996 1 840 . 1 1 68 68 GLY C C 13 175.723 0.400 . 1 . . . . 68 GLY C . 16996 1 841 . 1 1 68 68 GLY CA C 13 46.022 0.400 . 1 . . . . 68 GLY CA . 16996 1 842 . 1 1 68 68 GLY N N 15 109.767 0.400 . 1 . . . . 68 GLY N . 16996 1 843 . 1 1 69 69 ALA H H 1 8.114 0.020 . 1 . . . . 69 ALA H . 16996 1 844 . 1 1 69 69 ALA HA H 1 4.325 0.020 . 1 . . . . 69 ALA HA . 16996 1 845 . 1 1 69 69 ALA HB1 H 1 1.407 0.020 . 1 . . . . 69 ALA HB . 16996 1 846 . 1 1 69 69 ALA HB2 H 1 1.407 0.020 . 1 . . . . 69 ALA HB . 16996 1 847 . 1 1 69 69 ALA HB3 H 1 1.407 0.020 . 1 . . . . 69 ALA HB . 16996 1 848 . 1 1 69 69 ALA C C 13 174.017 0.400 . 1 . . . . 69 ALA C . 16996 1 849 . 1 1 69 69 ALA CA C 13 53.182 0.400 . 1 . . . . 69 ALA CA . 16996 1 850 . 1 1 69 69 ALA CB C 13 19.721 0.400 . 1 . . . . 69 ALA CB . 16996 1 851 . 1 1 69 69 ALA N N 15 123.191 0.400 . 1 . . . . 69 ALA N . 16996 1 852 . 1 1 70 70 ASP H H 1 8.274 0.020 . 1 . . . . 70 ASP H . 16996 1 853 . 1 1 70 70 ASP HA H 1 4.563 0.020 . 1 . . . . 70 ASP HA . 16996 1 854 . 1 1 70 70 ASP HB2 H 1 2.695 0.020 . 2 . . . . 70 ASP HB2 . 16996 1 855 . 1 1 70 70 ASP HB3 H 1 2.619 0.020 . 2 . . . . 70 ASP HB3 . 16996 1 856 . 1 1 70 70 ASP C C 13 177.554 0.400 . 1 . . . . 70 ASP C . 16996 1 857 . 1 1 70 70 ASP CA C 13 54.750 0.400 . 1 . . . . 70 ASP CA . 16996 1 858 . 1 1 70 70 ASP CB C 13 41.198 0.400 . 1 . . . . 70 ASP CB . 16996 1 859 . 1 1 70 70 ASP N N 15 118.703 0.400 . 1 . . . . 70 ASP N . 16996 1 860 . 1 1 71 71 LEU H H 1 7.963 0.020 . 1 . . . . 71 LEU H . 16996 1 861 . 1 1 71 71 LEU HA H 1 4.256 0.020 . 1 . . . . 71 LEU HA . 16996 1 862 . 1 1 71 71 LEU HB2 H 1 1.529 0.020 . 2 . . . . 71 LEU HB2 . 16996 1 863 . 1 1 71 71 LEU HB3 H 1 1.451 0.020 . 2 . . . . 71 LEU HB3 . 16996 1 864 . 1 1 71 71 LEU HD11 H 1 0.832 0.020 . 2 . . . . 71 LEU HD1 . 16996 1 865 . 1 1 71 71 LEU HD12 H 1 0.832 0.020 . 2 . . . . 71 LEU HD1 . 16996 1 866 . 1 1 71 71 LEU HD13 H 1 0.832 0.020 . 2 . . . . 71 LEU HD1 . 16996 1 867 . 1 1 71 71 LEU HG H 1 1.688 0.020 . 1 . . . . 71 LEU HG . 16996 1 868 . 1 1 71 71 LEU C C 13 176.419 0.400 . 1 . . . . 71 LEU C . 16996 1 869 . 1 1 71 71 LEU CA C 13 56.007 0.400 . 1 . . . . 71 LEU CA . 16996 1 870 . 1 1 71 71 LEU CB C 13 42.559 0.400 . 1 . . . . 71 LEU CB . 16996 1 871 . 1 1 71 71 LEU N N 15 121.676 0.400 . 1 . . . . 71 LEU N . 16996 1 872 . 1 1 72 72 TYR H H 1 8.047 0.020 . 1 . . . . 72 TYR H . 16996 1 873 . 1 1 72 72 TYR HA H 1 4.522 0.020 . 1 . . . . 72 TYR HA . 16996 1 874 . 1 1 72 72 TYR HB2 H 1 3.116 0.020 . 2 . . . . 72 TYR HB2 . 16996 1 875 . 1 1 72 72 TYR HB3 H 1 3.013 0.020 . 2 . . . . 72 TYR HB3 . 16996 1 876 . 1 1 72 72 TYR HD1 H 1 7.162 0.020 . 1 . . . . 72 TYR HD1 . 16996 1 877 . 1 1 72 72 TYR HD2 H 1 7.162 0.020 . 1 . . . . 72 TYR HD2 . 16996 1 878 . 1 1 72 72 TYR HE1 H 1 6.867 0.020 . 1 . . . . 72 TYR HE1 . 16996 1 879 . 1 1 72 72 TYR HE2 H 1 6.867 0.020 . 1 . . . . 72 TYR HE2 . 16996 1 880 . 1 1 72 72 TYR C C 13 177.181 0.400 . 1 . . . . 72 TYR C . 16996 1 881 . 1 1 72 72 TYR CA C 13 58.681 0.400 . 1 . . . . 72 TYR CA . 16996 1 882 . 1 1 72 72 TYR CB C 13 38.663 0.400 . 1 . . . . 72 TYR CB . 16996 1 883 . 1 1 72 72 TYR CD1 C 13 133.562 0.400 . 1 . . . . 72 TYR CD1 . 16996 1 884 . 1 1 72 72 TYR CE1 C 13 118.518 0.400 . 1 . . . . 72 TYR CE1 . 16996 1 885 . 1 1 72 72 TYR N N 15 119.350 0.400 . 1 . . . . 72 TYR N . 16996 1 886 . 1 1 73 73 GLU H H 1 8.096 0.020 . 1 . . . . 73 GLU H . 16996 1 887 . 1 1 73 73 GLU HA H 1 4.214 0.020 . 1 . . . . 73 GLU HA . 16996 1 888 . 1 1 73 73 GLU HB2 H 1 1.989 0.020 . 2 . . . . 73 GLU HB2 . 16996 1 889 . 1 1 73 73 GLU HB3 H 1 1.968 0.020 . 2 . . . . 73 GLU HB3 . 16996 1 890 . 1 1 73 73 GLU HG2 H 1 2.256 0.020 . 2 . . . . 73 GLU HG2 . 16996 1 891 . 1 1 73 73 GLU HG3 H 1 2.256 0.020 . 2 . . . . 73 GLU HG3 . 16996 1 892 . 1 1 73 73 GLU C C 13 176.163 0.400 . 1 . . . . 73 GLU C . 16996 1 893 . 1 1 73 73 GLU CA C 13 57.217 0.400 . 1 . . . . 73 GLU CA . 16996 1 894 . 1 1 73 73 GLU CB C 13 30.483 0.400 . 1 . . . . 73 GLU CB . 16996 1 895 . 1 1 73 73 GLU N N 15 121.555 0.400 . 1 . . . . 73 GLU N . 16996 1 896 . 1 1 74 74 GLU H H 1 8.358 0.020 . 1 . . . . 74 GLU H . 16996 1 897 . 1 1 74 74 GLU HA H 1 4.201 0.020 . 1 . . . . 74 GLU HA . 16996 1 898 . 1 1 74 74 GLU HB2 H 1 2.276 0.020 . 2 . . . . 74 GLU HB2 . 16996 1 899 . 1 1 74 74 GLU HB3 H 1 2.025 0.020 . 2 . . . . 74 GLU HB3 . 16996 1 900 . 1 1 74 74 GLU C C 13 176.803 0.400 . 1 . . . . 74 GLU C . 16996 1 901 . 1 1 74 74 GLU CA C 13 57.472 0.400 . 1 . . . . 74 GLU CA . 16996 1 902 . 1 1 74 74 GLU CB C 13 30.361 0.400 . 1 . . . . 74 GLU CB . 16996 1 903 . 1 1 74 74 GLU N N 15 121.188 0.400 . 1 . . . . 74 GLU N . 16996 1 904 . 1 1 75 75 LEU H H 1 8.160 0.020 . 1 . . . . 75 LEU H . 16996 1 905 . 1 1 75 75 LEU HA H 1 4.370 0.020 . 1 . . . . 75 LEU HA . 16996 1 906 . 1 1 75 75 LEU HB2 H 1 1.685 0.020 . 2 . . . . 75 LEU HB2 . 16996 1 907 . 1 1 75 75 LEU HB3 H 1 1.634 0.020 . 2 . . . . 75 LEU HB3 . 16996 1 908 . 1 1 75 75 LEU HD11 H 1 0.954 0.020 . 2 . . . . 75 LEU HD1 . 16996 1 909 . 1 1 75 75 LEU HD12 H 1 0.954 0.020 . 2 . . . . 75 LEU HD1 . 16996 1 910 . 1 1 75 75 LEU HD13 H 1 0.954 0.020 . 2 . . . . 75 LEU HD1 . 16996 1 911 . 1 1 75 75 LEU HD21 H 1 0.904 0.020 . 2 . . . . 75 LEU HD2 . 16996 1 912 . 1 1 75 75 LEU HD22 H 1 0.904 0.020 . 2 . . . . 75 LEU HD2 . 16996 1 913 . 1 1 75 75 LEU HD23 H 1 0.904 0.020 . 2 . . . . 75 LEU HD2 . 16996 1 914 . 1 1 75 75 LEU C C 13 176.945 0.400 . 1 . . . . 75 LEU C . 16996 1 915 . 1 1 75 75 LEU CA C 13 55.599 0.400 . 1 . . . . 75 LEU CA . 16996 1 916 . 1 1 75 75 LEU CB C 13 42.556 0.400 . 1 . . . . 75 LEU CB . 16996 1 917 . 1 1 75 75 LEU N N 15 122.059 0.400 . 1 . . . . 75 LEU N . 16996 1 918 . 1 1 76 76 LYS H H 1 8.186 0.020 . 1 . . . . 76 LYS H . 16996 1 919 . 1 1 76 76 LYS HA H 1 4.433 0.020 . 1 . . . . 76 LYS HA . 16996 1 920 . 1 1 76 76 LYS HB2 H 1 1.898 0.020 . 2 . . . . 76 LYS HB2 . 16996 1 921 . 1 1 76 76 LYS HB3 H 1 1.813 0.020 . 2 . . . . 76 LYS HB3 . 16996 1 922 . 1 1 76 76 LYS HD2 H 1 1.715 0.020 . 2 . . . . 76 LYS HD2 . 16996 1 923 . 1 1 76 76 LYS HD3 H 1 1.715 0.020 . 2 . . . . 76 LYS HD3 . 16996 1 924 . 1 1 76 76 LYS HE2 H 1 3.025 0.020 . 2 . . . . 76 LYS HE2 . 16996 1 925 . 1 1 76 76 LYS HE3 H 1 3.025 0.020 . 2 . . . . 76 LYS HE3 . 16996 1 926 . 1 1 76 76 LYS HG2 H 1 1.499 0.020 . 2 . . . . 76 LYS HG2 . 16996 1 927 . 1 1 76 76 LYS HG3 H 1 1.456 0.020 . 2 . . . . 76 LYS HG3 . 16996 1 928 . 1 1 76 76 LYS C C 13 177.676 0.400 . 1 . . . . 76 LYS C . 16996 1 929 . 1 1 76 76 LYS CA C 13 56.628 0.400 . 1 . . . . 76 LYS CA . 16996 1 930 . 1 1 76 76 LYS CB C 13 33.304 0.400 . 1 . . . . 76 LYS CB . 16996 1 931 . 1 1 76 76 LYS N N 15 121.494 0.400 . 1 . . . . 76 LYS N . 16996 1 932 . 1 1 77 77 THR H H 1 8.046 0.020 . 1 . . . . 77 THR H . 16996 1 933 . 1 1 77 77 THR HA H 1 4.391 0.020 . 1 . . . . 77 THR HA . 16996 1 934 . 1 1 77 77 THR HB H 1 4.286 0.020 . 1 . . . . 77 THR HB . 16996 1 935 . 1 1 77 77 THR HG21 H 1 1.245 0.020 . 1 . . . . 77 THR HG2 . 16996 1 936 . 1 1 77 77 THR HG22 H 1 1.245 0.020 . 1 . . . . 77 THR HG2 . 16996 1 937 . 1 1 77 77 THR HG23 H 1 1.245 0.020 . 1 . . . . 77 THR HG2 . 16996 1 938 . 1 1 77 77 THR C C 13 177.066 0.400 . 1 . . . . 77 THR C . 16996 1 939 . 1 1 77 77 THR CA C 13 62.311 0.400 . 1 . . . . 77 THR CA . 16996 1 940 . 1 1 77 77 THR CB C 13 70.161 0.400 . 1 . . . . 77 THR CB . 16996 1 941 . 1 1 77 77 THR CG2 C 13 21.805 0.400 . 1 . . . . 77 THR CG2 . 16996 1 942 . 1 1 77 77 THR N N 15 114.021 0.400 . 1 . . . . 77 THR N . 16996 1 943 . 1 1 79 79 THR HA H 1 4.471 0.020 . 1 . . . . 79 THR HA . 16996 1 944 . 1 1 79 79 THR HB H 1 4.257 0.020 . 1 . . . . 79 THR HB . 16996 1 945 . 1 1 79 79 THR HG21 H 1 1.281 0.020 . 1 . . . . 79 THR HG2 . 16996 1 946 . 1 1 79 79 THR HG22 H 1 1.281 0.020 . 1 . . . . 79 THR HG2 . 16996 1 947 . 1 1 79 79 THR HG23 H 1 1.281 0.020 . 1 . . . . 79 THR HG2 . 16996 1 948 . 1 1 79 79 THR CA C 13 62.189 0.400 . 1 . . . . 79 THR CA . 16996 1 949 . 1 1 79 79 THR CB C 13 69.861 0.400 . 1 . . . . 79 THR CB . 16996 1 950 . 1 1 79 79 THR CG2 C 13 21.899 0.400 . 1 . . . . 79 THR CG2 . 16996 1 951 . 1 1 80 80 ALA H H 1 8.167 0.020 . 1 . . . . 80 ALA H . 16996 1 952 . 1 1 80 80 ALA HA H 1 4.361 0.020 . 1 . . . . 80 ALA HA . 16996 1 953 . 1 1 80 80 ALA HB1 H 1 1.390 0.020 . 1 . . . . 80 ALA HB . 16996 1 954 . 1 1 80 80 ALA HB2 H 1 1.390 0.020 . 1 . . . . 80 ALA HB . 16996 1 955 . 1 1 80 80 ALA HB3 H 1 1.390 0.020 . 1 . . . . 80 ALA HB . 16996 1 956 . 1 1 80 80 ALA C C 13 174.267 0.400 . 1 . . . . 80 ALA C . 16996 1 957 . 1 1 80 80 ALA CA C 13 52.811 0.400 . 1 . . . . 80 ALA CA . 16996 1 958 . 1 1 80 80 ALA CB C 13 19.674 0.400 . 1 . . . . 80 ALA CB . 16996 1 959 . 1 1 80 80 ALA N N 15 126.290 0.400 . 1 . . . . 80 ALA N . 16996 1 960 . 1 1 81 81 ILE H H 1 8.057 0.020 . 1 . . . . 81 ILE H . 16996 1 961 . 1 1 81 81 ILE HA H 1 4.179 0.020 . 1 . . . . 81 ILE HA . 16996 1 962 . 1 1 81 81 ILE HB H 1 1.888 0.020 . 1 . . . . 81 ILE HB . 16996 1 963 . 1 1 81 81 ILE HD11 H 1 0.903 0.020 . 1 . . . . 81 ILE HD1 . 16996 1 964 . 1 1 81 81 ILE HD12 H 1 0.903 0.020 . 1 . . . . 81 ILE HD1 . 16996 1 965 . 1 1 81 81 ILE HD13 H 1 0.903 0.020 . 1 . . . . 81 ILE HD1 . 16996 1 966 . 1 1 81 81 ILE HG12 H 1 1.520 0.020 . 2 . . . . 81 ILE HG12 . 16996 1 967 . 1 1 81 81 ILE HG13 H 1 1.223 0.020 . 2 . . . . 81 ILE HG13 . 16996 1 968 . 1 1 81 81 ILE HG21 H 1 0.942 0.020 . 1 . . . . 81 ILE HG2 . 16996 1 969 . 1 1 81 81 ILE HG22 H 1 0.942 0.020 . 1 . . . . 81 ILE HG2 . 16996 1 970 . 1 1 81 81 ILE HG23 H 1 0.942 0.020 . 1 . . . . 81 ILE HG2 . 16996 1 971 . 1 1 81 81 ILE C C 13 177.391 0.400 . 1 . . . . 81 ILE C . 16996 1 972 . 1 1 81 81 ILE CA C 13 61.363 0.400 . 1 . . . . 81 ILE CA . 16996 1 973 . 1 1 81 81 ILE CB C 13 38.889 0.400 . 1 . . . . 81 ILE CB . 16996 1 974 . 1 1 81 81 ILE CD1 C 13 13.028 0.400 . 1 . . . . 81 ILE CD1 . 16996 1 975 . 1 1 81 81 ILE CG1 C 13 27.614 0.400 . 1 . . . . 81 ILE CG1 . 16996 1 976 . 1 1 81 81 ILE CG2 C 13 17.810 0.400 . 1 . . . . 81 ILE CG2 . 16996 1 977 . 1 1 81 81 ILE N N 15 120.063 0.400 . 1 . . . . 81 ILE N . 16996 1 978 . 1 1 82 82 LEU H H 1 8.292 0.020 . 1 . . . . 82 LEU H . 16996 1 979 . 1 1 82 82 LEU HA H 1 4.490 0.020 . 1 . . . . 82 LEU HA . 16996 1 980 . 1 1 82 82 LEU HB2 H 1 1.685 0.020 . 2 . . . . 82 LEU HB2 . 16996 1 981 . 1 1 82 82 LEU HB3 H 1 1.669 0.020 . 2 . . . . 82 LEU HB3 . 16996 1 982 . 1 1 82 82 LEU HD11 H 1 0.953 0.020 . 2 . . . . 82 LEU HD1 . 16996 1 983 . 1 1 82 82 LEU HD12 H 1 0.953 0.020 . 2 . . . . 82 LEU HD1 . 16996 1 984 . 1 1 82 82 LEU HD13 H 1 0.953 0.020 . 2 . . . . 82 LEU HD1 . 16996 1 985 . 1 1 82 82 LEU HD21 H 1 0.896 0.020 . 2 . . . . 82 LEU HD2 . 16996 1 986 . 1 1 82 82 LEU HD22 H 1 0.896 0.020 . 2 . . . . 82 LEU HD2 . 16996 1 987 . 1 1 82 82 LEU HD23 H 1 0.896 0.020 . 2 . . . . 82 LEU HD2 . 16996 1 988 . 1 1 82 82 LEU C C 13 176.156 0.400 . 1 . . . . 82 LEU C . 16996 1 989 . 1 1 82 82 LEU CA C 13 55.399 0.400 . 1 . . . . 82 LEU CA . 16996 1 990 . 1 1 82 82 LEU CB C 13 42.490 0.400 . 1 . . . . 82 LEU CB . 16996 1 991 . 1 1 82 82 LEU CG C 13 25.285 0.400 . 1 . . . . 82 LEU CG . 16996 1 992 . 1 1 82 82 LEU N N 15 126.851 0.400 . 1 . . . . 82 LEU N . 16996 1 993 . 1 1 83 83 SER H H 1 7.855 0.020 . 1 . . . . 83 SER H . 16996 1 994 . 1 1 83 83 SER HA H 1 4.285 0.020 . 1 . . . . 83 SER HA . 16996 1 995 . 1 1 83 83 SER HB2 H 1 3.866 0.020 . 2 . . . . 83 SER HB2 . 16996 1 996 . 1 1 83 83 SER HB3 H 1 3.866 0.020 . 2 . . . . 83 SER HB3 . 16996 1 997 . 1 1 83 83 SER C C 13 178.137 0.400 . 1 . . . . 83 SER C . 16996 1 998 . 1 1 83 83 SER CA C 13 60.197 0.400 . 1 . . . . 83 SER CA . 16996 1 999 . 1 1 83 83 SER CB C 13 65.161 0.400 . 1 . . . . 83 SER CB . 16996 1 1000 . 1 1 83 83 SER N N 15 122.316 0.400 . 1 . . . . 83 SER N . 16996 1 stop_ save_