data_17324 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17324 _Entry.Title ; NMR Solution Structure of the winged-helix domain from MUS81 junction-specific endonuclease ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-11-27 _Entry.Accession_date 2010-11-27 _Entry.Last_release_date 2013-09-16 _Entry.Original_release_date 2013-09-16 _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 'SOLUTION NMR' _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 Richard Harris R. . . 17324 2 Andrew Fadden A. . . 17324 3 Neil McDonald N. Q. . 17324 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 1 'not applicable' 'not applicable' . 17324 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'alpha beta' . 17324 winged-helix . 17324 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17324 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 432 17324 '15N chemical shifts' 90 17324 '1H chemical shifts' 727 17324 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 . . 2013-09-16 2010-11-27 original author . 17324 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MC3 'BMRB Entry Tracking System' 17324 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 17324 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'A winged helix domain in human Mus81 is required for DNA binding' _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev 'to be published' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 A. Fadden A. . . 17324 1 2 R. Harris R. . . 17324 1 3 N. McDonald N. Q. . 17324 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17324 _Assembly.ID 1 _Assembly.Name 'Mus81-winged helix domain' _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 'Mus81-winged helix domain' 1 $Mus81-winged_helix_domain A . yes native no no . . . 17324 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Mus81-winged_helix_domain _Entity.Sf_category entity _Entity.Sf_framecode Mus81-winged_helix_domain _Entity.Entry_ID 17324 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Mus81-winged_helix_domain _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSYWPARHSGARVILLVLYR EHLNPNGHHFLTKEELLQRC AQKSPRVAPGSAPPWPALRS LLHRNLVLRTHQPARYSLTP EGLELAQKLAESEGLSLLNV GIG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Sequence corresponds to Crossover junction endonuclease MUS81 (human) residues 128-230 (uniprot Q96NY9)' _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 103 _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 11476.323 _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 2MC3 . "Nmr Solution Structure Of The Winged-helix Domain From Mus81 Structure-specific Endonuclease" . . . . . 100.00 109 100.00 100.00 1.50e-65 . . . . 17324 1 2 no DBJ BAB14953 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 476 100.00 100.00 9.56e-63 . . . . 17324 1 3 no DBJ BAD97284 . "MUS81 endonuclease homolog [Homo sapiens]" . . . . . 100.00 550 99.03 99.03 1.17e-60 . . . . 17324 1 4 no DBJ BAG54375 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 551 100.00 100.00 6.79e-62 . . . . 17324 1 5 no DBJ BAK63074 . "crossover junction endonuclease MUS81 [Pan troglodytes]" . . . . . 100.00 551 99.03 99.03 9.28e-61 . . . . 17324 1 6 no GB AAH09999 . "MUS81 endonuclease homolog (S. cerevisiae) [Homo sapiens]" . . . . . 100.00 551 100.00 100.00 6.79e-62 . . . . 17324 1 7 no GB AAL28065 . "MUS81 endonuclease [Homo sapiens]" . . . . . 100.00 551 100.00 100.00 6.79e-62 . . . . 17324 1 8 no GB AIC57164 . "MUS81, partial [synthetic construct]" . . . . . 100.00 551 100.00 100.00 6.79e-62 . . . . 17324 1 9 no GB EAW74453 . "MUS81 endonuclease homolog (yeast), isoform CRA_a [Homo sapiens]" . . . . . 100.00 616 100.00 100.00 2.76e-61 . . . . 17324 1 10 no GB EAW74454 . "MUS81 endonuclease homolog (yeast), isoform CRA_b [Homo sapiens]" . . . . . 100.00 551 100.00 100.00 6.79e-62 . . . . 17324 1 11 no REF NP_001267425 . "crossover junction endonuclease MUS81 [Pan troglodytes]" . . . . . 100.00 551 99.03 99.03 9.28e-61 . . . . 17324 1 12 no REF NP_079404 . "crossover junction endonuclease MUS81 [Homo sapiens]" . . . . . 100.00 551 99.03 99.03 1.23e-60 . . . . 17324 1 13 no REF XP_003274252 . "PREDICTED: crossover junction endonuclease MUS81 [Nomascus leucogenys]" . . . . . 100.00 551 97.09 99.03 2.37e-59 . . . . 17324 1 14 no REF XP_003828690 . "PREDICTED: crossover junction endonuclease MUS81 isoform X2 [Pan paniscus]" . . . . . 100.00 551 99.03 99.03 8.80e-61 . . . . 17324 1 15 no REF XP_004051573 . "PREDICTED: crossover junction endonuclease MUS81 [Gorilla gorilla gorilla]" . . . . . 100.00 551 97.09 98.06 4.34e-59 . . . . 17324 1 16 no SP Q96NY9 . "RecName: Full=Crossover junction endonuclease MUS81" . . . . . 100.00 551 99.03 99.03 1.23e-60 . . . . 17324 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 17324 1 2 . SER . 17324 1 3 . TYR . 17324 1 4 . TRP . 17324 1 5 . PRO . 17324 1 6 . ALA . 17324 1 7 . ARG . 17324 1 8 . HIS . 17324 1 9 . SER . 17324 1 10 . GLY . 17324 1 11 . ALA . 17324 1 12 . ARG . 17324 1 13 . VAL . 17324 1 14 . ILE . 17324 1 15 . LEU . 17324 1 16 . LEU . 17324 1 17 . VAL . 17324 1 18 . LEU . 17324 1 19 . TYR . 17324 1 20 . ARG . 17324 1 21 . GLU . 17324 1 22 . HIS . 17324 1 23 . LEU . 17324 1 24 . ASN . 17324 1 25 . PRO . 17324 1 26 . ASN . 17324 1 27 . GLY . 17324 1 28 . HIS . 17324 1 29 . HIS . 17324 1 30 . PHE . 17324 1 31 . LEU . 17324 1 32 . THR . 17324 1 33 . LYS . 17324 1 34 . GLU . 17324 1 35 . GLU . 17324 1 36 . LEU . 17324 1 37 . LEU . 17324 1 38 . GLN . 17324 1 39 . ARG . 17324 1 40 . CYS . 17324 1 41 . ALA . 17324 1 42 . GLN . 17324 1 43 . LYS . 17324 1 44 . SER . 17324 1 45 . PRO . 17324 1 46 . ARG . 17324 1 47 . VAL . 17324 1 48 . ALA . 17324 1 49 . PRO . 17324 1 50 . GLY . 17324 1 51 . SER . 17324 1 52 . ALA . 17324 1 53 . PRO . 17324 1 54 . PRO . 17324 1 55 . TRP . 17324 1 56 . PRO . 17324 1 57 . ALA . 17324 1 58 . LEU . 17324 1 59 . ARG . 17324 1 60 . SER . 17324 1 61 . LEU . 17324 1 62 . LEU . 17324 1 63 . HIS . 17324 1 64 . ARG . 17324 1 65 . ASN . 17324 1 66 . LEU . 17324 1 67 . VAL . 17324 1 68 . LEU . 17324 1 69 . ARG . 17324 1 70 . THR . 17324 1 71 . HIS . 17324 1 72 . GLN . 17324 1 73 . PRO . 17324 1 74 . ALA . 17324 1 75 . ARG . 17324 1 76 . TYR . 17324 1 77 . SER . 17324 1 78 . LEU . 17324 1 79 . THR . 17324 1 80 . PRO . 17324 1 81 . GLU . 17324 1 82 . GLY . 17324 1 83 . LEU . 17324 1 84 . GLU . 17324 1 85 . LEU . 17324 1 86 . ALA . 17324 1 87 . GLN . 17324 1 88 . LYS . 17324 1 89 . LEU . 17324 1 90 . ALA . 17324 1 91 . GLU . 17324 1 92 . SER . 17324 1 93 . GLU . 17324 1 94 . GLY . 17324 1 95 . LEU . 17324 1 96 . SER . 17324 1 97 . LEU . 17324 1 98 . LEU . 17324 1 99 . ASN . 17324 1 100 . VAL . 17324 1 101 . GLY . 17324 1 102 . ILE . 17324 1 103 . GLY . 17324 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 17324 1 . SER 2 2 17324 1 . TYR 3 3 17324 1 . TRP 4 4 17324 1 . PRO 5 5 17324 1 . ALA 6 6 17324 1 . ARG 7 7 17324 1 . HIS 8 8 17324 1 . SER 9 9 17324 1 . GLY 10 10 17324 1 . ALA 11 11 17324 1 . ARG 12 12 17324 1 . VAL 13 13 17324 1 . ILE 14 14 17324 1 . LEU 15 15 17324 1 . LEU 16 16 17324 1 . VAL 17 17 17324 1 . LEU 18 18 17324 1 . TYR 19 19 17324 1 . ARG 20 20 17324 1 . GLU 21 21 17324 1 . HIS 22 22 17324 1 . LEU 23 23 17324 1 . ASN 24 24 17324 1 . PRO 25 25 17324 1 . ASN 26 26 17324 1 . GLY 27 27 17324 1 . HIS 28 28 17324 1 . HIS 29 29 17324 1 . PHE 30 30 17324 1 . LEU 31 31 17324 1 . THR 32 32 17324 1 . LYS 33 33 17324 1 . GLU 34 34 17324 1 . GLU 35 35 17324 1 . LEU 36 36 17324 1 . LEU 37 37 17324 1 . GLN 38 38 17324 1 . ARG 39 39 17324 1 . CYS 40 40 17324 1 . ALA 41 41 17324 1 . GLN 42 42 17324 1 . LYS 43 43 17324 1 . SER 44 44 17324 1 . PRO 45 45 17324 1 . ARG 46 46 17324 1 . VAL 47 47 17324 1 . ALA 48 48 17324 1 . PRO 49 49 17324 1 . GLY 50 50 17324 1 . SER 51 51 17324 1 . ALA 52 52 17324 1 . PRO 53 53 17324 1 . PRO 54 54 17324 1 . TRP 55 55 17324 1 . PRO 56 56 17324 1 . ALA 57 57 17324 1 . LEU 58 58 17324 1 . ARG 59 59 17324 1 . SER 60 60 17324 1 . LEU 61 61 17324 1 . LEU 62 62 17324 1 . HIS 63 63 17324 1 . ARG 64 64 17324 1 . ASN 65 65 17324 1 . LEU 66 66 17324 1 . VAL 67 67 17324 1 . LEU 68 68 17324 1 . ARG 69 69 17324 1 . THR 70 70 17324 1 . HIS 71 71 17324 1 . GLN 72 72 17324 1 . PRO 73 73 17324 1 . ALA 74 74 17324 1 . ARG 75 75 17324 1 . TYR 76 76 17324 1 . SER 77 77 17324 1 . LEU 78 78 17324 1 . THR 79 79 17324 1 . PRO 80 80 17324 1 . GLU 81 81 17324 1 . GLY 82 82 17324 1 . LEU 83 83 17324 1 . GLU 84 84 17324 1 . LEU 85 85 17324 1 . ALA 86 86 17324 1 . GLN 87 87 17324 1 . LYS 88 88 17324 1 . LEU 89 89 17324 1 . ALA 90 90 17324 1 . GLU 91 91 17324 1 . SER 92 92 17324 1 . GLU 93 93 17324 1 . GLY 94 94 17324 1 . LEU 95 95 17324 1 . SER 96 96 17324 1 . LEU 97 97 17324 1 . LEU 98 98 17324 1 . ASN 99 99 17324 1 . VAL 100 100 17324 1 . GLY 101 101 17324 1 . ILE 102 102 17324 1 . GLY 103 103 17324 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 17324 _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 $Mus81-winged_helix_domain . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . mus81 . . . . 17324 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 17324 _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 $Mus81-winged_helix_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)recA- . . . . . . . . . . . . . . . pET41a . . . . . . 17324 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17324 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '25mM Na phosphate buffer; 250mM NaCl; 1mM EDTA; 1mM DTT; pH 7.0' _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 'Mus81-winged helix domain' '[U-100% 13C; U-100% 15N]' . . 1 $Mus81-winged_helix_domain . . 1 . . mM . . . . 17324 1 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 17324 1 3 'sodium chloride' 'natural abundance' . . . . . . 250 . . mM . . . . 17324 1 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 17324 1 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 17324 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17324 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17324 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17324 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '25mM Na phosphate buffer; 250mM NaCl; 1mM EDTA; 1mM DTT; pH 7.0' _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 'Mus81-winged helix domain' '[U-100% 13C; U-100% 15N]' . . 1 $Mus81-winged_helix_domain . . 1 . . mM . . . . 17324 2 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 17324 2 3 'sodium chloride' 'natural abundance' . . . . . . 250 . . mM . . . . 17324 2 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 17324 2 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 17324 2 6 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17324 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 17324 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '25mM Na phosphate buffer; 250mM NaCl; 1mM EDTA; 1mM DTT; pH 7.0; 5% n-octyl-penta(ethyleneglycol):octanol 0.96:1' _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 'Mus81-winged helix domain' '[U-100% 15N]' . . 1 $Mus81-winged_helix_domain . . 1 . . mM . . . . 17324 3 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 17324 3 3 'sodium chloride' 'natural abundance' . . . . . . 250 . . mM . . . . 17324 3 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 17324 3 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 17324 3 6 'n-octyl-penta(ethyleneglycol):octanol 0.96:1' 'natural abundance' . . . . . . 5 . . % . . . . 17324 3 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17324 3 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17324 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 17324 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details '25mM Na phosphate buffer; 250mM NaCl; 1mM EDTA; 1mM DTT; pH 7.0' _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 'Mus81-winged helix domain' '[U-100% 15N]' . . 1 $Mus81-winged_helix_domain . . 1 . . mM . . . . 17324 4 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 17324 4 3 'sodium chloride' 'natural abundance' . . . . . . 250 . . mM . . . . 17324 4 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 17324 4 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 17324 4 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17324 4 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17324 4 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 17324 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 250 . mM 17324 1 pH 7.0 . pH 17324 1 pressure 1 . atm 17324 1 temperature 298 . K 17324 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 17324 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 17324 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17324 1 stop_ save_ save_ANSIG _Software.Sf_category software _Software.Sf_framecode ANSIG _Software.Entry_ID 17324 _Software.ID 2 _Software.Name ANSIG _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Kraulis . . 17324 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17324 2 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 17324 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityPlus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17324 _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 UnityPlus . 500 . . . 17324 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 17324 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 15N NOESY-HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17324 1 2 '3D 13C NOESY-HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17324 1 3 '3D 13C aromatic NOESY-HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17324 1 4 '2D IPAP' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17324 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17324 1 6 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17324 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17324 1 8 '2D 1H-13C aromatic HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17324 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 17324 _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 . . . . . . . . . 17324 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17324 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17324 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 17324 _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 5 '2D 1H-15N HSQC' . . . 17324 1 6 '2D 1H-13C HSQC' . . . 17324 1 7 '3D HNCO' . . . 17324 1 8 '2D 1H-13C aromatic HSQC' . . . 17324 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $ANSIG . . 17324 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 GLY HA2 H 1 3.923 0.02 . 1 . . . . 1 GLY HA# . 17324 1 2 . 1 1 1 1 GLY HA3 H 1 3.923 0.02 . 1 . . . . 1 GLY HA# . 17324 1 3 . 1 1 1 1 GLY CA C 13 43.269 0.4 . 1 . . . . 1 GLY CA . 17324 1 4 . 1 1 2 2 SER HA H 1 4.486 0.02 . 1 . . . . 2 SER HA . 17324 1 5 . 1 1 2 2 SER HB2 H 1 3.879 0.02 . 1 . . . . 2 SER HB# . 17324 1 6 . 1 1 2 2 SER HB3 H 1 3.879 0.02 . 1 . . . . 2 SER HB# . 17324 1 7 . 1 1 2 2 SER CA C 13 58.371 0.4 . 1 . . . . 2 SER CA . 17324 1 8 . 1 1 2 2 SER CB C 13 63.526 0.4 . 1 . . . . 2 SER CB . 17324 1 9 . 1 1 3 3 TYR HA H 1 4.546 0.02 . 1 . . . . 3 TYR HA . 17324 1 10 . 1 1 3 3 TYR HB2 H 1 2.768 0.02 . 2 . . . . 3 TYR HB2 . 17324 1 11 . 1 1 3 3 TYR HB3 H 1 3.046 0.02 . 2 . . . . 3 TYR HB3 . 17324 1 12 . 1 1 3 3 TYR HD1 H 1 6.932 0.02 . 1 . . . . 3 TYR HD# . 17324 1 13 . 1 1 3 3 TYR HD2 H 1 6.932 0.02 . 1 . . . . 3 TYR HD# . 17324 1 14 . 1 1 3 3 TYR HE1 H 1 6.423 0.02 . 1 . . . . 3 TYR HE# . 17324 1 15 . 1 1 3 3 TYR HE2 H 1 6.423 0.02 . 1 . . . . 3 TYR HE# . 17324 1 16 . 1 1 3 3 TYR C C 13 174.407 0.4 . 1 . . . . 3 TYR C . 17324 1 17 . 1 1 3 3 TYR CA C 13 58.464 0.4 . 1 . . . . 3 TYR CA . 17324 1 18 . 1 1 3 3 TYR CB C 13 39.465 0.4 . 1 . . . . 3 TYR CB . 17324 1 19 . 1 1 3 3 TYR CD1 C 13 133.087 0.4 . 1 . . . . 3 TYR CD# . 17324 1 20 . 1 1 3 3 TYR CD2 C 13 133.087 0.4 . 1 . . . . 3 TYR CD# . 17324 1 21 . 1 1 3 3 TYR CE1 C 13 117.385 0.4 . 1 . . . . 3 TYR CE# . 17324 1 22 . 1 1 3 3 TYR CE2 C 13 117.385 0.4 . 1 . . . . 3 TYR CE# . 17324 1 23 . 1 1 4 4 TRP H H 1 8.193 0.02 . 1 . . . . 4 TRP HN . 17324 1 24 . 1 1 4 4 TRP HA H 1 4.751 0.02 . 1 . . . . 4 TRP HA . 17324 1 25 . 1 1 4 4 TRP HB2 H 1 2.793 0.02 . 2 . . . . 4 TRP HB2 . 17324 1 26 . 1 1 4 4 TRP HB3 H 1 3.066 0.02 . 2 . . . . 4 TRP HB3 . 17324 1 27 . 1 1 4 4 TRP HD1 H 1 6.892 0.02 . 1 . . . . 4 TRP HD1 . 17324 1 28 . 1 1 4 4 TRP HE1 H 1 9.885 0.02 . 1 . . . . 4 TRP HE1 . 17324 1 29 . 1 1 4 4 TRP HE3 H 1 7.582 0.02 . 1 . . . . 4 TRP HE3 . 17324 1 30 . 1 1 4 4 TRP HZ2 H 1 7.401 0.02 . 1 . . . . 4 TRP HZ2 . 17324 1 31 . 1 1 4 4 TRP HZ3 H 1 6.867 0.02 . 1 . . . . 4 TRP HZ3 . 17324 1 32 . 1 1 4 4 TRP HH2 H 1 6.857 0.02 . 1 . . . . 4 TRP HH2 . 17324 1 33 . 1 1 4 4 TRP CA C 13 53.266 0.4 . 1 . . . . 4 TRP CA . 17324 1 34 . 1 1 4 4 TRP CB C 13 30.524 0.4 . 1 . . . . 4 TRP CB . 17324 1 35 . 1 1 4 4 TRP CD1 C 13 127.405 0.4 . 1 . . . . 4 TRP CD1 . 17324 1 36 . 1 1 4 4 TRP CE3 C 13 121.441 0.4 . 1 . . . . 4 TRP CE3 . 17324 1 37 . 1 1 4 4 TRP CZ2 C 13 114.559 0.4 . 1 . . . . 4 TRP CZ2 . 17324 1 38 . 1 1 4 4 TRP CZ3 C 13 121.246 0.4 . 1 . . . . 4 TRP CZ3 . 17324 1 39 . 1 1 4 4 TRP CH2 C 13 123.563 0.4 . 1 . . . . 4 TRP CH2 . 17324 1 40 . 1 1 4 4 TRP N N 15 128.915 0.1 . 1 . . . . 4 TRP N . 17324 1 41 . 1 1 4 4 TRP NE1 N 15 128.501 0.1 . 1 . . . . 4 TRP NE1 . 17324 1 42 . 1 1 5 5 PRO HA H 1 4.021 0.02 . 1 . . . . 5 PRO HA . 17324 1 43 . 1 1 5 5 PRO HB2 H 1 1.558 0.02 . 2 . . . . 5 PRO HB2 . 17324 1 44 . 1 1 5 5 PRO HB3 H 1 1.929 0.02 . 2 . . . . 5 PRO HB3 . 17324 1 45 . 1 1 5 5 PRO HG2 H 1 1.339 0.02 . 1 . . . . 5 PRO HG# . 17324 1 46 . 1 1 5 5 PRO HG3 H 1 1.339 0.02 . 1 . . . . 5 PRO HG# . 17324 1 47 . 1 1 5 5 PRO HD2 H 1 2.449 0.02 . 2 . . . . 5 PRO HD2 . 17324 1 48 . 1 1 5 5 PRO HD3 H 1 2.744 0.02 . 2 . . . . 5 PRO HD3 . 17324 1 49 . 1 1 5 5 PRO C C 13 176.371 0.4 . 1 . . . . 5 PRO C . 17324 1 50 . 1 1 5 5 PRO CA C 13 61.993 0.4 . 1 . . . . 5 PRO CA . 17324 1 51 . 1 1 5 5 PRO CB C 13 31.553 0.4 . 1 . . . . 5 PRO CB . 17324 1 52 . 1 1 5 5 PRO CG C 13 26.805 0.4 . 1 . . . . 5 PRO CG . 17324 1 53 . 1 1 5 5 PRO CD C 13 49.226 0.4 . 1 . . . . 5 PRO CD . 17324 1 54 . 1 1 6 6 ALA H H 1 8.585 0.02 . 1 . . . . 6 ALA HN . 17324 1 55 . 1 1 6 6 ALA HA H 1 4.077 0.02 . 1 . . . . 6 ALA HA . 17324 1 56 . 1 1 6 6 ALA HB1 H 1 1.469 0.02 . 1 . . . . 6 ALA HB# . 17324 1 57 . 1 1 6 6 ALA HB2 H 1 1.469 0.02 . 1 . . . . 6 ALA HB# . 17324 1 58 . 1 1 6 6 ALA HB3 H 1 1.469 0.02 . 1 . . . . 6 ALA HB# . 17324 1 59 . 1 1 6 6 ALA CA C 13 52.199 0.4 . 1 . . . . 6 ALA CA . 17324 1 60 . 1 1 6 6 ALA CB C 13 19.964 0.4 . 1 . . . . 6 ALA CB . 17324 1 61 . 1 1 6 6 ALA N N 15 126.354 0.1 . 1 . . . . 6 ALA N . 17324 1 62 . 1 1 7 7 ARG HA H 1 3.501 0.02 . 1 . . . . 7 ARG HA . 17324 1 63 . 1 1 7 7 ARG HB2 H 1 1.378 0.02 . 2 . . . . 7 ARG HB2 . 17324 1 64 . 1 1 7 7 ARG HB3 H 1 1.598 0.02 . 2 . . . . 7 ARG HB3 . 17324 1 65 . 1 1 7 7 ARG HG2 H 1 1.025 0.02 . 2 . . . . 7 ARG HG2 . 17324 1 66 . 1 1 7 7 ARG HG3 H 1 1.45 0.02 . 2 . . . . 7 ARG HG3 . 17324 1 67 . 1 1 7 7 ARG HD2 H 1 3.055 0.02 . 1 . . . . 7 ARG HD# . 17324 1 68 . 1 1 7 7 ARG HD3 H 1 3.055 0.02 . 1 . . . . 7 ARG HD# . 17324 1 69 . 1 1 7 7 ARG CA C 13 59.051 0.4 . 1 . . . . 7 ARG CA . 17324 1 70 . 1 1 7 7 ARG CB C 13 29.978 0.4 . 1 . . . . 7 ARG CB . 17324 1 71 . 1 1 7 7 ARG CG C 13 27.472 0.4 . 1 . . . . 7 ARG CG . 17324 1 72 . 1 1 7 7 ARG CD C 13 43.294 0.4 . 1 . . . . 7 ARG CD . 17324 1 73 . 1 1 8 8 HIS HA H 1 4.303 0.02 . 1 . . . . 8 HIS HA . 17324 1 74 . 1 1 8 8 HIS HB2 H 1 3.235 0.02 . 2 . . . . 8 HIS HB2 . 17324 1 75 . 1 1 8 8 HIS HB3 H 1 3.378 0.02 . 2 . . . . 8 HIS HB3 . 17324 1 76 . 1 1 8 8 HIS HD2 H 1 6.949 0.02 . 1 . . . . 8 HIS HD2 . 17324 1 77 . 1 1 8 8 HIS C C 13 174.736 0.4 . 1 . . . . 8 HIS C . 17324 1 78 . 1 1 8 8 HIS CA C 13 57.105 0.4 . 1 . . . . 8 HIS CA . 17324 1 79 . 1 1 8 8 HIS CB C 13 28.929 0.4 . 1 . . . . 8 HIS CB . 17324 1 80 . 1 1 9 9 SER H H 1 7.797 0.02 . 1 . . . . 9 SER HN . 17324 1 81 . 1 1 9 9 SER HA H 1 4.424 0.02 . 1 . . . . 9 SER HA . 17324 1 82 . 1 1 9 9 SER HB2 H 1 3.86 0.02 . 2 . . . . 9 SER HB2 . 17324 1 83 . 1 1 9 9 SER HB3 H 1 4.324 0.02 . 2 . . . . 9 SER HB3 . 17324 1 84 . 1 1 9 9 SER CA C 13 58.411 0.4 . 1 . . . . 9 SER CA . 17324 1 85 . 1 1 9 9 SER CB C 13 65.289 0.4 . 1 . . . . 9 SER CB . 17324 1 86 . 1 1 9 9 SER N N 15 115.5 0.1 . 1 . . . . 9 SER N . 17324 1 87 . 1 1 10 10 GLY HA2 H 1 3.823 0.02 . 1 . . . . 10 GLY HA# . 17324 1 88 . 1 1 10 10 GLY HA3 H 1 3.823 0.02 . 1 . . . . 10 GLY HA# . 17324 1 89 . 1 1 10 10 GLY C C 13 175.547 0.4 . 1 . . . . 10 GLY C . 17324 1 90 . 1 1 10 10 GLY CA C 13 47.461 0.4 . 1 . . . . 10 GLY CA . 17324 1 91 . 1 1 11 11 ALA H H 1 8.533 0.02 . 1 . . . . 11 ALA HN . 17324 1 92 . 1 1 11 11 ALA HA H 1 3.816 0.02 . 1 . . . . 11 ALA HA . 17324 1 93 . 1 1 11 11 ALA HB1 H 1 1.376 0.02 . 1 . . . . 11 ALA HB# . 17324 1 94 . 1 1 11 11 ALA HB2 H 1 1.376 0.02 . 1 . . . . 11 ALA HB# . 17324 1 95 . 1 1 11 11 ALA HB3 H 1 1.376 0.02 . 1 . . . . 11 ALA HB# . 17324 1 96 . 1 1 11 11 ALA C C 13 178.486 0.4 . 1 . . . . 11 ALA C . 17324 1 97 . 1 1 11 11 ALA CA C 13 55.104 0.4 . 1 . . . . 11 ALA CA . 17324 1 98 . 1 1 11 11 ALA CB C 13 18.973 0.4 . 1 . . . . 11 ALA CB . 17324 1 99 . 1 1 11 11 ALA N N 15 121.001 0.1 . 1 . . . . 11 ALA N . 17324 1 100 . 1 1 12 12 ARG H H 1 7.405 0.02 . 1 . . . . 12 ARG HN . 17324 1 101 . 1 1 12 12 ARG HA H 1 3.466 0.02 . 1 . . . . 12 ARG HA . 17324 1 102 . 1 1 12 12 ARG HB2 H 1 1.343 0.02 . 2 . . . . 12 ARG HB2 . 17324 1 103 . 1 1 12 12 ARG HB3 H 1 1.771 0.02 . 2 . . . . 12 ARG HB3 . 17324 1 104 . 1 1 12 12 ARG HG2 H 1 1.146 0.02 . 2 . . . . 12 ARG HG2 . 17324 1 105 . 1 1 12 12 ARG HG3 H 1 1.512 0.02 . 2 . . . . 12 ARG HG3 . 17324 1 106 . 1 1 12 12 ARG HD2 H 1 2.97 0.02 . 2 . . . . 12 ARG HD2 . 17324 1 107 . 1 1 12 12 ARG HD3 H 1 3.338 0.02 . 2 . . . . 12 ARG HD3 . 17324 1 108 . 1 1 12 12 ARG C C 13 176.933 0.4 . 1 . . . . 12 ARG C . 17324 1 109 . 1 1 12 12 ARG CA C 13 60.14 0.4 . 1 . . . . 12 ARG CA . 17324 1 110 . 1 1 12 12 ARG CB C 13 30.742 0.4 . 1 . . . . 12 ARG CB . 17324 1 111 . 1 1 12 12 ARG CG C 13 28.39 0.4 . 1 . . . . 12 ARG CG . 17324 1 112 . 1 1 12 12 ARG CD C 13 43.94 0.4 . 1 . . . . 12 ARG CD . 17324 1 113 . 1 1 12 12 ARG N N 15 115.319 0.1 . 1 . . . . 12 ARG N . 17324 1 114 . 1 1 13 13 VAL H H 1 7.742 0.02 . 1 . . . . 13 VAL HN . 17324 1 115 . 1 1 13 13 VAL HA H 1 3.514 0.02 . 1 . . . . 13 VAL HA . 17324 1 116 . 1 1 13 13 VAL HB H 1 2.191 0.02 . 1 . . . . 13 VAL HB . 17324 1 117 . 1 1 13 13 VAL HG11 H 1 1.049 0.02 . 2 . . . . 13 VAL HG1# . 17324 1 118 . 1 1 13 13 VAL HG12 H 1 1.049 0.02 . 2 . . . . 13 VAL HG1# . 17324 1 119 . 1 1 13 13 VAL HG13 H 1 1.049 0.02 . 2 . . . . 13 VAL HG1# . 17324 1 120 . 1 1 13 13 VAL HG21 H 1 1.075 0.02 . 2 . . . . 13 VAL HG2# . 17324 1 121 . 1 1 13 13 VAL HG22 H 1 1.075 0.02 . 2 . . . . 13 VAL HG2# . 17324 1 122 . 1 1 13 13 VAL HG23 H 1 1.075 0.02 . 2 . . . . 13 VAL HG2# . 17324 1 123 . 1 1 13 13 VAL C C 13 177.735 0.4 . 1 . . . . 13 VAL C . 17324 1 124 . 1 1 13 13 VAL CA C 13 67.072 0.4 . 1 . . . . 13 VAL CA . 17324 1 125 . 1 1 13 13 VAL CB C 13 31.788 0.4 . 1 . . . . 13 VAL CB . 17324 1 126 . 1 1 13 13 VAL CG1 C 13 22.907 0.4 . 2 . . . . 13 VAL CG1 . 17324 1 127 . 1 1 13 13 VAL CG2 C 13 21.573 0.4 . 2 . . . . 13 VAL CG2 . 17324 1 128 . 1 1 13 13 VAL N N 15 117.05 0.1 . 1 . . . . 13 VAL N . 17324 1 129 . 1 1 14 14 ILE H H 1 7.887 0.02 . 1 . . . . 14 ILE HN . 17324 1 130 . 1 1 14 14 ILE HA H 1 3.385 0.02 . 1 . . . . 14 ILE HA . 17324 1 131 . 1 1 14 14 ILE HB H 1 1.534 0.02 . 1 . . . . 14 ILE HB . 17324 1 132 . 1 1 14 14 ILE HG12 H 1 0.72 0.02 . 2 . . . . 14 ILE HG12 . 17324 1 133 . 1 1 14 14 ILE HG13 H 1 1.781 0.02 . 2 . . . . 14 ILE HG13 . 17324 1 134 . 1 1 14 14 ILE HG21 H 1 0.525 0.02 . 1 . . . . 14 ILE HG2# . 17324 1 135 . 1 1 14 14 ILE HG22 H 1 0.525 0.02 . 1 . . . . 14 ILE HG2# . 17324 1 136 . 1 1 14 14 ILE HG23 H 1 0.525 0.02 . 1 . . . . 14 ILE HG2# . 17324 1 137 . 1 1 14 14 ILE HD11 H 1 0.159 0.02 . 1 . . . . 14 ILE HD1# . 17324 1 138 . 1 1 14 14 ILE HD12 H 1 0.159 0.02 . 1 . . . . 14 ILE HD1# . 17324 1 139 . 1 1 14 14 ILE HD13 H 1 0.159 0.02 . 1 . . . . 14 ILE HD1# . 17324 1 140 . 1 1 14 14 ILE C C 13 177.697 0.4 . 1 . . . . 14 ILE C . 17324 1 141 . 1 1 14 14 ILE CA C 13 66.055 0.4 . 1 . . . . 14 ILE CA . 17324 1 142 . 1 1 14 14 ILE CB C 13 38.368 0.4 . 1 . . . . 14 ILE CB . 17324 1 143 . 1 1 14 14 ILE CG1 C 13 30.187 0.4 . 1 . . . . 14 ILE CG1 . 17324 1 144 . 1 1 14 14 ILE CG2 C 13 18.145 0.4 . 1 . . . . 14 ILE CG2 . 17324 1 145 . 1 1 14 14 ILE CD1 C 13 14.431 0.4 . 1 . . . . 14 ILE CD1 . 17324 1 146 . 1 1 14 14 ILE N N 15 118.375 0.1 . 1 . . . . 14 ILE N . 17324 1 147 . 1 1 15 15 LEU H H 1 7.454 0.02 . 1 . . . . 15 LEU HN . 17324 1 148 . 1 1 15 15 LEU HA H 1 3.8 0.02 . 1 . . . . 15 LEU HA . 17324 1 149 . 1 1 15 15 LEU HB2 H 1 0.987 0.02 . 2 . . . . 15 LEU HB2 . 17324 1 150 . 1 1 15 15 LEU HB3 H 1 1.857 0.02 . 2 . . . . 15 LEU HB3 . 17324 1 151 . 1 1 15 15 LEU HD11 H 1 0.632 0.02 . 2 . . . . 15 LEU HD1# . 17324 1 152 . 1 1 15 15 LEU HD12 H 1 0.632 0.02 . 2 . . . . 15 LEU HD1# . 17324 1 153 . 1 1 15 15 LEU HD13 H 1 0.632 0.02 . 2 . . . . 15 LEU HD1# . 17324 1 154 . 1 1 15 15 LEU HD21 H 1 0.703 0.02 . 2 . . . . 15 LEU HD2# . 17324 1 155 . 1 1 15 15 LEU HD22 H 1 0.703 0.02 . 2 . . . . 15 LEU HD2# . 17324 1 156 . 1 1 15 15 LEU HD23 H 1 0.703 0.02 . 2 . . . . 15 LEU HD2# . 17324 1 157 . 1 1 15 15 LEU C C 13 178.928 0.4 . 1 . . . . 15 LEU C . 17324 1 158 . 1 1 15 15 LEU CA C 13 58.684 0.4 . 1 . . . . 15 LEU CA . 17324 1 159 . 1 1 15 15 LEU CB C 13 42.038 0.4 . 1 . . . . 15 LEU CB . 17324 1 160 . 1 1 15 15 LEU CD1 C 13 27.153 0.4 . 2 . . . . 15 LEU CD1 . 17324 1 161 . 1 1 15 15 LEU CD2 C 13 23.741 0.4 . 2 . . . . 15 LEU CD2 . 17324 1 162 . 1 1 15 15 LEU N N 15 116.518 0.1 . 1 . . . . 15 LEU N . 17324 1 163 . 1 1 16 16 LEU H H 1 8.191 0.02 . 1 . . . . 16 LEU HN . 17324 1 164 . 1 1 16 16 LEU HA H 1 4.158 0.02 . 1 . . . . 16 LEU HA . 17324 1 165 . 1 1 16 16 LEU HB2 H 1 1.361 0.02 . 2 . . . . 16 LEU HB2 . 17324 1 166 . 1 1 16 16 LEU HB3 H 1 1.983 0.02 . 2 . . . . 16 LEU HB3 . 17324 1 167 . 1 1 16 16 LEU HG H 1 1.72 0.02 . 1 . . . . 16 LEU HG . 17324 1 168 . 1 1 16 16 LEU HD11 H 1 0.678 0.02 . 2 . . . . 16 LEU HD1# . 17324 1 169 . 1 1 16 16 LEU HD12 H 1 0.678 0.02 . 2 . . . . 16 LEU HD1# . 17324 1 170 . 1 1 16 16 LEU HD13 H 1 0.678 0.02 . 2 . . . . 16 LEU HD1# . 17324 1 171 . 1 1 16 16 LEU HD21 H 1 0.719 0.02 . 2 . . . . 16 LEU HD2# . 17324 1 172 . 1 1 16 16 LEU HD22 H 1 0.719 0.02 . 2 . . . . 16 LEU HD2# . 17324 1 173 . 1 1 16 16 LEU HD23 H 1 0.719 0.02 . 2 . . . . 16 LEU HD2# . 17324 1 174 . 1 1 16 16 LEU C C 13 180.202 0.4 . 1 . . . . 16 LEU C . 17324 1 175 . 1 1 16 16 LEU CA C 13 58.154 0.4 . 1 . . . . 16 LEU CA . 17324 1 176 . 1 1 16 16 LEU CB C 13 41.598 0.4 . 1 . . . . 16 LEU CB . 17324 1 177 . 1 1 16 16 LEU CG C 13 26.733 0.4 . 1 . . . . 16 LEU CG . 17324 1 178 . 1 1 16 16 LEU CD1 C 13 22.486 0.4 . 2 . . . . 16 LEU CD1 . 17324 1 179 . 1 1 16 16 LEU CD2 C 13 26.116 0.4 . 2 . . . . 16 LEU CD2 . 17324 1 180 . 1 1 16 16 LEU N N 15 117.134 0.1 . 1 . . . . 16 LEU N . 17324 1 181 . 1 1 17 17 VAL H H 1 8.718 0.02 . 1 . . . . 17 VAL HN . 17324 1 182 . 1 1 17 17 VAL HA H 1 3.722 0.02 . 1 . . . . 17 VAL HA . 17324 1 183 . 1 1 17 17 VAL HB H 1 2.187 0.02 . 1 . . . . 17 VAL HB . 17324 1 184 . 1 1 17 17 VAL HG11 H 1 0.886 0.02 . 2 . . . . 17 VAL HG1# . 17324 1 185 . 1 1 17 17 VAL HG12 H 1 0.886 0.02 . 2 . . . . 17 VAL HG1# . 17324 1 186 . 1 1 17 17 VAL HG13 H 1 0.886 0.02 . 2 . . . . 17 VAL HG1# . 17324 1 187 . 1 1 17 17 VAL HG21 H 1 1.069 0.02 . 2 . . . . 17 VAL HG2# . 17324 1 188 . 1 1 17 17 VAL HG22 H 1 1.069 0.02 . 2 . . . . 17 VAL HG2# . 17324 1 189 . 1 1 17 17 VAL HG23 H 1 1.069 0.02 . 2 . . . . 17 VAL HG2# . 17324 1 190 . 1 1 17 17 VAL C C 13 179.958 0.4 . 1 . . . . 17 VAL C . 17324 1 191 . 1 1 17 17 VAL CA C 13 66.973 0.4 . 1 . . . . 17 VAL CA . 17324 1 192 . 1 1 17 17 VAL CB C 13 31.789 0.4 . 1 . . . . 17 VAL CB . 17324 1 193 . 1 1 17 17 VAL CG1 C 13 22.794 0.4 . 2 . . . . 17 VAL CG1 . 17324 1 194 . 1 1 17 17 VAL CG2 C 13 23.871 0.4 . 2 . . . . 17 VAL CG2 . 17324 1 195 . 1 1 17 17 VAL N N 15 122.275 0.1 . 1 . . . . 17 VAL N . 17324 1 196 . 1 1 18 18 LEU H H 1 8.282 0.02 . 1 . . . . 18 LEU HN . 17324 1 197 . 1 1 18 18 LEU HA H 1 4.05 0.02 . 1 . . . . 18 LEU HA . 17324 1 198 . 1 1 18 18 LEU HB2 H 1 1.391 0.02 . 2 . . . . 18 LEU HB2 . 17324 1 199 . 1 1 18 18 LEU HB3 H 1 2.005 0.02 . 2 . . . . 18 LEU HB3 . 17324 1 200 . 1 1 18 18 LEU HG H 1 1.71 0.02 . 1 . . . . 18 LEU HG . 17324 1 201 . 1 1 18 18 LEU HD11 H 1 0.695 0.02 . 2 . . . . 18 LEU HD1# . 17324 1 202 . 1 1 18 18 LEU HD12 H 1 0.695 0.02 . 2 . . . . 18 LEU HD1# . 17324 1 203 . 1 1 18 18 LEU HD13 H 1 0.695 0.02 . 2 . . . . 18 LEU HD1# . 17324 1 204 . 1 1 18 18 LEU HD21 H 1 0.904 0.02 . 2 . . . . 18 LEU HD2# . 17324 1 205 . 1 1 18 18 LEU HD22 H 1 0.904 0.02 . 2 . . . . 18 LEU HD2# . 17324 1 206 . 1 1 18 18 LEU HD23 H 1 0.904 0.02 . 2 . . . . 18 LEU HD2# . 17324 1 207 . 1 1 18 18 LEU C C 13 179.857 0.4 . 1 . . . . 18 LEU C . 17324 1 208 . 1 1 18 18 LEU CA C 13 58.137 0.4 . 1 . . . . 18 LEU CA . 17324 1 209 . 1 1 18 18 LEU CB C 13 41.848 0.4 . 1 . . . . 18 LEU CB . 17324 1 210 . 1 1 18 18 LEU CG C 13 27.536 0.4 . 1 . . . . 18 LEU CG . 17324 1 211 . 1 1 18 18 LEU CD1 C 13 27.563 0.4 . 2 . . . . 18 LEU CD1 . 17324 1 212 . 1 1 18 18 LEU CD2 C 13 24.059 0.4 . 2 . . . . 18 LEU CD2 . 17324 1 213 . 1 1 18 18 LEU N N 15 120.133 0.1 . 1 . . . . 18 LEU N . 17324 1 214 . 1 1 19 19 TYR H H 1 8.805 0.02 . 1 . . . . 19 TYR HN . 17324 1 215 . 1 1 19 19 TYR HA H 1 4.13 0.02 . 1 . . . . 19 TYR HA . 17324 1 216 . 1 1 19 19 TYR HB2 H 1 3.037 0.02 . 2 . . . . 19 TYR HB2 . 17324 1 217 . 1 1 19 19 TYR HB3 H 1 3.178 0.02 . 2 . . . . 19 TYR HB3 . 17324 1 218 . 1 1 19 19 TYR HD1 H 1 6.75 0.02 . 1 . . . . 19 TYR HD# . 17324 1 219 . 1 1 19 19 TYR HD2 H 1 6.75 0.02 . 1 . . . . 19 TYR HD# . 17324 1 220 . 1 1 19 19 TYR HE1 H 1 6.649 0.02 . 1 . . . . 19 TYR HE# . 17324 1 221 . 1 1 19 19 TYR HE2 H 1 6.649 0.02 . 1 . . . . 19 TYR HE# . 17324 1 222 . 1 1 19 19 TYR C C 13 176.614 0.4 . 1 . . . . 19 TYR C . 17324 1 223 . 1 1 19 19 TYR CA C 13 61 0.4 . 1 . . . . 19 TYR CA . 17324 1 224 . 1 1 19 19 TYR CB C 13 39.379 0.4 . 1 . . . . 19 TYR CB . 17324 1 225 . 1 1 19 19 TYR CD1 C 13 132.18 0.4 . 1 . . . . 19 TYR CD# . 17324 1 226 . 1 1 19 19 TYR CD2 C 13 132.18 0.4 . 1 . . . . 19 TYR CD# . 17324 1 227 . 1 1 19 19 TYR CE1 C 13 118.045 0.4 . 1 . . . . 19 TYR CE# . 17324 1 228 . 1 1 19 19 TYR CE2 C 13 118.045 0.4 . 1 . . . . 19 TYR CE# . 17324 1 229 . 1 1 19 19 TYR N N 15 122.584 0.1 . 1 . . . . 19 TYR N . 17324 1 230 . 1 1 20 20 ARG H H 1 8.227 0.02 . 1 . . . . 20 ARG HN . 17324 1 231 . 1 1 20 20 ARG HA H 1 3.672 0.02 . 1 . . . . 20 ARG HA . 17324 1 232 . 1 1 20 20 ARG HB2 H 1 1.941 0.02 . 1 . . . . 20 ARG HB# . 17324 1 233 . 1 1 20 20 ARG HB3 H 1 1.941 0.02 . 1 . . . . 20 ARG HB# . 17324 1 234 . 1 1 20 20 ARG HG2 H 1 1.667 0.02 . 2 . . . . 20 ARG HG2 . 17324 1 235 . 1 1 20 20 ARG HG3 H 1 1.855 0.02 . 2 . . . . 20 ARG HG3 . 17324 1 236 . 1 1 20 20 ARG HD2 H 1 3.206 0.02 . 1 . . . . 20 ARG HD# . 17324 1 237 . 1 1 20 20 ARG HD3 H 1 3.206 0.02 . 1 . . . . 20 ARG HD# . 17324 1 238 . 1 1 20 20 ARG C C 13 179.233 0.4 . 1 . . . . 20 ARG C . 17324 1 239 . 1 1 20 20 ARG CA C 13 59.738 0.4 . 1 . . . . 20 ARG CA . 17324 1 240 . 1 1 20 20 ARG CB C 13 29.772 0.4 . 1 . . . . 20 ARG CB . 17324 1 241 . 1 1 20 20 ARG CG C 13 28.267 0.4 . 1 . . . . 20 ARG CG . 17324 1 242 . 1 1 20 20 ARG CD C 13 43.505 0.4 . 1 . . . . 20 ARG CD . 17324 1 243 . 1 1 20 20 ARG N N 15 117.419 0.1 . 1 . . . . 20 ARG N . 17324 1 244 . 1 1 21 21 GLU H H 1 7.386 0.02 . 1 . . . . 21 GLU HN . 17324 1 245 . 1 1 21 21 GLU HA H 1 4.239 0.02 . 1 . . . . 21 GLU HA . 17324 1 246 . 1 1 21 21 GLU HB2 H 1 1.988 0.02 . 2 . . . . 21 GLU HB2 . 17324 1 247 . 1 1 21 21 GLU HB3 H 1 2.096 0.02 . 2 . . . . 21 GLU HB3 . 17324 1 248 . 1 1 21 21 GLU HG2 H 1 2.274 0.02 . 1 . . . . 21 GLU HG# . 17324 1 249 . 1 1 21 21 GLU HG3 H 1 2.274 0.02 . 1 . . . . 21 GLU HG# . 17324 1 250 . 1 1 21 21 GLU C C 13 178.697 0.4 . 1 . . . . 21 GLU C . 17324 1 251 . 1 1 21 21 GLU CA C 13 58.222 0.4 . 1 . . . . 21 GLU CA . 17324 1 252 . 1 1 21 21 GLU CB C 13 28.804 0.4 . 1 . . . . 21 GLU CB . 17324 1 253 . 1 1 21 21 GLU CG C 13 35.392 0.4 . 1 . . . . 21 GLU CG . 17324 1 254 . 1 1 21 21 GLU N N 15 117.638 0.1 . 1 . . . . 21 GLU N . 17324 1 255 . 1 1 22 22 HIS H H 1 8.107 0.02 . 1 . . . . 22 HIS HN . 17324 1 256 . 1 1 22 22 HIS HA H 1 3.865 0.02 . 1 . . . . 22 HIS HA . 17324 1 257 . 1 1 22 22 HIS HB2 H 1 3.152 0.02 . 2 . . . . 22 HIS HB2 . 17324 1 258 . 1 1 22 22 HIS HB3 H 1 3.266 0.02 . 2 . . . . 22 HIS HB3 . 17324 1 259 . 1 1 22 22 HIS HD2 H 1 6.675 0.02 . 1 . . . . 22 HIS HD2 . 17324 1 260 . 1 1 22 22 HIS HE1 H 1 7.751 0.02 . 1 . . . . 22 HIS HE1 . 17324 1 261 . 1 1 22 22 HIS C C 13 176.479 0.4 . 1 . . . . 22 HIS C . 17324 1 262 . 1 1 22 22 HIS CA C 13 59.874 0.4 . 1 . . . . 22 HIS CA . 17324 1 263 . 1 1 22 22 HIS CB C 13 30.121 0.4 . 1 . . . . 22 HIS CB . 17324 1 264 . 1 1 22 22 HIS CE1 C 13 138.379 0.4 . 1 . . . . 22 HIS CE1 . 17324 1 265 . 1 1 22 22 HIS N N 15 120.683 0.1 . 1 . . . . 22 HIS N . 17324 1 266 . 1 1 23 23 LEU H H 1 7.302 0.02 . 1 . . . . 23 LEU HN . 17324 1 267 . 1 1 23 23 LEU HA H 1 3.892 0.02 . 1 . . . . 23 LEU HA . 17324 1 268 . 1 1 23 23 LEU HB2 H 1 1.433 0.02 . 1 . . . . 23 LEU HB# . 17324 1 269 . 1 1 23 23 LEU HB3 H 1 1.433 0.02 . 1 . . . . 23 LEU HB# . 17324 1 270 . 1 1 23 23 LEU HG H 1 1.23 0.02 . 1 . . . . 23 LEU HG . 17324 1 271 . 1 1 23 23 LEU HD11 H 1 0.444 0.02 . 2 . . . . 23 LEU HD1# . 17324 1 272 . 1 1 23 23 LEU HD12 H 1 0.444 0.02 . 2 . . . . 23 LEU HD1# . 17324 1 273 . 1 1 23 23 LEU HD13 H 1 0.444 0.02 . 2 . . . . 23 LEU HD1# . 17324 1 274 . 1 1 23 23 LEU HD21 H 1 0.628 0.02 . 2 . . . . 23 LEU HD2# . 17324 1 275 . 1 1 23 23 LEU HD22 H 1 0.628 0.02 . 2 . . . . 23 LEU HD2# . 17324 1 276 . 1 1 23 23 LEU HD23 H 1 0.628 0.02 . 2 . . . . 23 LEU HD2# . 17324 1 277 . 1 1 23 23 LEU C C 13 177.136 0.4 . 1 . . . . 23 LEU C . 17324 1 278 . 1 1 23 23 LEU CA C 13 54.974 0.4 . 1 . . . . 23 LEU CA . 17324 1 279 . 1 1 23 23 LEU CB C 13 42.524 0.4 . 1 . . . . 23 LEU CB . 17324 1 280 . 1 1 23 23 LEU CG C 13 26.55 0.4 . 1 . . . . 23 LEU CG . 17324 1 281 . 1 1 23 23 LEU CD1 C 13 25.454 0.4 . 2 . . . . 23 LEU CD1 . 17324 1 282 . 1 1 23 23 LEU CD2 C 13 22.242 0.4 . 2 . . . . 23 LEU CD2 . 17324 1 283 . 1 1 23 23 LEU N N 15 115.983 0.1 . 1 . . . . 23 LEU N . 17324 1 284 . 1 1 24 24 ASN H H 1 7.3 0.02 . 1 . . . . 24 ASN HN . 17324 1 285 . 1 1 24 24 ASN HA H 1 4.757 0.02 . 1 . . . . 24 ASN HA . 17324 1 286 . 1 1 24 24 ASN HB2 H 1 2.86 0.02 . 2 . . . . 24 ASN HB2 . 17324 1 287 . 1 1 24 24 ASN HB3 H 1 3.1 0.02 . 2 . . . . 24 ASN HB3 . 17324 1 288 . 1 1 24 24 ASN HD21 H 1 6.978 0.02 . 2 . . . . 24 ASN HD21 . 17324 1 289 . 1 1 24 24 ASN HD22 H 1 7.918 0.02 . 2 . . . . 24 ASN HD22 . 17324 1 290 . 1 1 24 24 ASN CA C 13 50.698 0.4 . 1 . . . . 24 ASN CA . 17324 1 291 . 1 1 24 24 ASN CB C 13 38.877 0.4 . 1 . . . . 24 ASN CB . 17324 1 292 . 1 1 24 24 ASN N N 15 120.037 0.1 . 1 . . . . 24 ASN N . 17324 1 293 . 1 1 24 24 ASN ND2 N 15 112.844 0.1 . 1 . . . . 24 ASN ND2 . 17324 1 294 . 1 1 25 25 PRO HA H 1 4.42 0.02 . 1 . . . . 25 PRO HA . 17324 1 295 . 1 1 25 25 PRO HB2 H 1 1.926 0.02 . 2 . . . . 25 PRO HB2 . 17324 1 296 . 1 1 25 25 PRO HB3 H 1 2.311 0.02 . 2 . . . . 25 PRO HB3 . 17324 1 297 . 1 1 25 25 PRO HG2 H 1 1.994 0.02 . 1 . . . . 25 PRO HG# . 17324 1 298 . 1 1 25 25 PRO HG3 H 1 1.994 0.02 . 1 . . . . 25 PRO HG# . 17324 1 299 . 1 1 25 25 PRO HD2 H 1 3.895 0.02 . 2 . . . . 25 PRO HD2 . 17324 1 300 . 1 1 25 25 PRO HD3 H 1 4.078 0.02 . 2 . . . . 25 PRO HD3 . 17324 1 301 . 1 1 25 25 PRO C C 13 177.332 0.4 . 1 . . . . 25 PRO C . 17324 1 302 . 1 1 25 25 PRO CA C 13 64.531 0.4 . 1 . . . . 25 PRO CA . 17324 1 303 . 1 1 25 25 PRO CB C 13 32.146 0.4 . 1 . . . . 25 PRO CB . 17324 1 304 . 1 1 25 25 PRO CG C 13 27.1 0.4 . 1 . . . . 25 PRO CG . 17324 1 305 . 1 1 25 25 PRO CD C 13 51.227 0.4 . 1 . . . . 25 PRO CD . 17324 1 306 . 1 1 26 26 ASN H H 1 7.999 0.02 . 1 . . . . 26 ASN HN . 17324 1 307 . 1 1 26 26 ASN HA H 1 4.816 0.02 . 1 . . . . 26 ASN HA . 17324 1 308 . 1 1 26 26 ASN HB2 H 1 2.544 0.02 . 2 . . . . 26 ASN HB2 . 17324 1 309 . 1 1 26 26 ASN HB3 H 1 2.891 0.02 . 2 . . . . 26 ASN HB3 . 17324 1 310 . 1 1 26 26 ASN HD21 H 1 6.975 0.02 . 2 . . . . 26 ASN HD21 . 17324 1 311 . 1 1 26 26 ASN HD22 H 1 7.639 0.02 . 2 . . . . 26 ASN HD22 . 17324 1 312 . 1 1 26 26 ASN C C 13 175.357 0.4 . 1 . . . . 26 ASN C . 17324 1 313 . 1 1 26 26 ASN CA C 13 52.558 0.4 . 1 . . . . 26 ASN CA . 17324 1 314 . 1 1 26 26 ASN CB C 13 39.12 0.4 . 1 . . . . 26 ASN CB . 17324 1 315 . 1 1 26 26 ASN N N 15 115.359 0.1 . 1 . . . . 26 ASN N . 17324 1 316 . 1 1 26 26 ASN ND2 N 15 113.858 0.1 . 1 . . . . 26 ASN ND2 . 17324 1 317 . 1 1 27 27 GLY H H 1 7.541 0.02 . 1 . . . . 27 GLY HN . 17324 1 318 . 1 1 27 27 GLY HA2 H 1 3.891 0.02 . 1 . . . . 27 GLY HA# . 17324 1 319 . 1 1 27 27 GLY HA3 H 1 3.891 0.02 . 1 . . . . 27 GLY HA# . 17324 1 320 . 1 1 27 27 GLY C C 13 173.105 0.4 . 1 . . . . 27 GLY C . 17324 1 321 . 1 1 27 27 GLY CA C 13 44.761 0.4 . 1 . . . . 27 GLY CA . 17324 1 322 . 1 1 27 27 GLY N N 15 107.959 0.1 . 1 . . . . 27 GLY N . 17324 1 323 . 1 1 28 28 HIS H H 1 8.588 0.02 . 1 . . . . 28 HIS HN . 17324 1 324 . 1 1 28 28 HIS HA H 1 4.478 0.02 . 1 . . . . 28 HIS HA . 17324 1 325 . 1 1 28 28 HIS HB2 H 1 2.718 0.02 . 2 . . . . 28 HIS HB2 . 17324 1 326 . 1 1 28 28 HIS HB3 H 1 2.849 0.02 . 2 . . . . 28 HIS HB3 . 17324 1 327 . 1 1 28 28 HIS HD2 H 1 6.943 0.02 . 1 . . . . 28 HIS HD2 . 17324 1 328 . 1 1 28 28 HIS CA C 13 55.375 0.4 . 1 . . . . 28 HIS CA . 17324 1 329 . 1 1 28 28 HIS CB C 13 29.733 0.4 . 1 . . . . 28 HIS CB . 17324 1 330 . 1 1 28 28 HIS N N 15 118.544 0.1 . 1 . . . . 28 HIS N . 17324 1 331 . 1 1 29 29 HIS HA H 1 4.212 0.02 . 1 . . . . 29 HIS HA . 17324 1 332 . 1 1 29 29 HIS HB2 H 1 3.144 0.02 . 2 . . . . 29 HIS HB2 . 17324 1 333 . 1 1 29 29 HIS HB3 H 1 3.355 0.02 . 2 . . . . 29 HIS HB3 . 17324 1 334 . 1 1 29 29 HIS HD2 H 1 6.93 0.02 . 1 . . . . 29 HIS HD2 . 17324 1 335 . 1 1 29 29 HIS C C 13 173.68 0.4 . 1 . . . . 29 HIS C . 17324 1 336 . 1 1 29 29 HIS CA C 13 56.796 0.4 . 1 . . . . 29 HIS CA . 17324 1 337 . 1 1 29 29 HIS CB C 13 28.195 0.4 . 1 . . . . 29 HIS CB . 17324 1 338 . 1 1 30 30 PHE H H 1 7.53 0.02 . 1 . . . . 30 PHE HN . 17324 1 339 . 1 1 30 30 PHE HA H 1 5.116 0.02 . 1 . . . . 30 PHE HA . 17324 1 340 . 1 1 30 30 PHE HB2 H 1 2.886 0.02 . 2 . . . . 30 PHE HB2 . 17324 1 341 . 1 1 30 30 PHE HB3 H 1 2.943 0.02 . 2 . . . . 30 PHE HB3 . 17324 1 342 . 1 1 30 30 PHE HD1 H 1 6.956 0.02 . 1 . . . . 30 PHE HD# . 17324 1 343 . 1 1 30 30 PHE HD2 H 1 6.956 0.02 . 1 . . . . 30 PHE HD# . 17324 1 344 . 1 1 30 30 PHE HE1 H 1 7.216 0.02 . 1 . . . . 30 PHE HE# . 17324 1 345 . 1 1 30 30 PHE HE2 H 1 7.216 0.02 . 1 . . . . 30 PHE HE# . 17324 1 346 . 1 1 30 30 PHE HZ H 1 7.079 0.02 . 1 . . . . 30 PHE HZ . 17324 1 347 . 1 1 30 30 PHE C C 13 174.589 0.4 . 1 . . . . 30 PHE C . 17324 1 348 . 1 1 30 30 PHE CA C 13 55.863 0.4 . 1 . . . . 30 PHE CA . 17324 1 349 . 1 1 30 30 PHE CB C 13 41.382 0.4 . 1 . . . . 30 PHE CB . 17324 1 350 . 1 1 30 30 PHE CD1 C 13 132.514 0.4 . 1 . . . . 30 PHE CD# . 17324 1 351 . 1 1 30 30 PHE CD2 C 13 132.514 0.4 . 1 . . . . 30 PHE CD# . 17324 1 352 . 1 1 30 30 PHE CE1 C 13 131.498 0.4 . 1 . . . . 30 PHE CE# . 17324 1 353 . 1 1 30 30 PHE CE2 C 13 131.498 0.4 . 1 . . . . 30 PHE CE# . 17324 1 354 . 1 1 30 30 PHE CZ C 13 130.031 0.4 . 1 . . . . 30 PHE CZ . 17324 1 355 . 1 1 30 30 PHE N N 15 115.538 0.1 . 1 . . . . 30 PHE N . 17324 1 356 . 1 1 31 31 LEU H H 1 8.846 0.02 . 1 . . . . 31 LEU HN . 17324 1 357 . 1 1 31 31 LEU HA H 1 5.138 0.02 . 1 . . . . 31 LEU HA . 17324 1 358 . 1 1 31 31 LEU HB2 H 1 1.604 0.02 . 2 . . . . 31 LEU HB2 . 17324 1 359 . 1 1 31 31 LEU HB3 H 1 1.718 0.02 . 2 . . . . 31 LEU HB3 . 17324 1 360 . 1 1 31 31 LEU HG H 1 1.603 0.02 . 1 . . . . 31 LEU HG . 17324 1 361 . 1 1 31 31 LEU HD11 H 1 0.768 0.02 . 2 . . . . 31 LEU HD1# . 17324 1 362 . 1 1 31 31 LEU HD12 H 1 0.768 0.02 . 2 . . . . 31 LEU HD1# . 17324 1 363 . 1 1 31 31 LEU HD13 H 1 0.768 0.02 . 2 . . . . 31 LEU HD1# . 17324 1 364 . 1 1 31 31 LEU HD21 H 1 0.839 0.02 . 2 . . . . 31 LEU HD2# . 17324 1 365 . 1 1 31 31 LEU HD22 H 1 0.839 0.02 . 2 . . . . 31 LEU HD2# . 17324 1 366 . 1 1 31 31 LEU HD23 H 1 0.839 0.02 . 2 . . . . 31 LEU HD2# . 17324 1 367 . 1 1 31 31 LEU C C 13 177.833 0.4 . 1 . . . . 31 LEU C . 17324 1 368 . 1 1 31 31 LEU CA C 13 53.811 0.4 . 1 . . . . 31 LEU CA . 17324 1 369 . 1 1 31 31 LEU CB C 13 46.648 0.4 . 1 . . . . 31 LEU CB . 17324 1 370 . 1 1 31 31 LEU CG C 13 27.365 0.4 . 1 . . . . 31 LEU CG . 17324 1 371 . 1 1 31 31 LEU CD1 C 13 27.444 0.4 . 2 . . . . 31 LEU CD1 . 17324 1 372 . 1 1 31 31 LEU CD2 C 13 23.627 0.4 . 2 . . . . 31 LEU CD2 . 17324 1 373 . 1 1 31 31 LEU N N 15 119.697 0.1 . 1 . . . . 31 LEU N . 17324 1 374 . 1 1 32 32 THR H H 1 9.149 0.02 . 1 . . . . 32 THR HN . 17324 1 375 . 1 1 32 32 THR HA H 1 5.053 0.02 . 1 . . . . 32 THR HA . 17324 1 376 . 1 1 32 32 THR HB H 1 4.931 0.02 . 1 . . . . 32 THR HB . 17324 1 377 . 1 1 32 32 THR HG21 H 1 1.439 0.02 . 1 . . . . 32 THR HG2# . 17324 1 378 . 1 1 32 32 THR HG22 H 1 1.439 0.02 . 1 . . . . 32 THR HG2# . 17324 1 379 . 1 1 32 32 THR HG23 H 1 1.439 0.02 . 1 . . . . 32 THR HG2# . 17324 1 380 . 1 1 32 32 THR C C 13 175.427 0.4 . 1 . . . . 32 THR C . 17324 1 381 . 1 1 32 32 THR CA C 13 61.211 0.4 . 1 . . . . 32 THR CA . 17324 1 382 . 1 1 32 32 THR CB C 13 71.218 0.4 . 1 . . . . 32 THR CB . 17324 1 383 . 1 1 32 32 THR CG2 C 13 21.946 0.4 . 1 . . . . 32 THR CG2 . 17324 1 384 . 1 1 32 32 THR N N 15 113.24 0.1 . 1 . . . . 32 THR N . 17324 1 385 . 1 1 33 33 LYS H H 1 9.551 0.02 . 1 . . . . 33 LYS HN . 17324 1 386 . 1 1 33 33 LYS HA H 1 3.862 0.02 . 1 . . . . 33 LYS HA . 17324 1 387 . 1 1 33 33 LYS HB2 H 1 1.966 0.02 . 2 . . . . 33 LYS HB2 . 17324 1 388 . 1 1 33 33 LYS HB3 H 1 2.203 0.02 . 2 . . . . 33 LYS HB3 . 17324 1 389 . 1 1 33 33 LYS HG2 H 1 1.728 0.02 . 1 . . . . 33 LYS HG# . 17324 1 390 . 1 1 33 33 LYS HG3 H 1 1.728 0.02 . 1 . . . . 33 LYS HG# . 17324 1 391 . 1 1 33 33 LYS HD2 H 1 1.308 0.02 . 2 . . . . 33 LYS HD2 . 17324 1 392 . 1 1 33 33 LYS HD3 H 1 1.385 0.02 . 2 . . . . 33 LYS HD3 . 17324 1 393 . 1 1 33 33 LYS HE2 H 1 2.74 0.02 . 1 . . . . 33 LYS HE# . 17324 1 394 . 1 1 33 33 LYS HE3 H 1 2.74 0.02 . 1 . . . . 33 LYS HE# . 17324 1 395 . 1 1 33 33 LYS C C 13 177.939 0.4 . 1 . . . . 33 LYS C . 17324 1 396 . 1 1 33 33 LYS CA C 13 61.096 0.4 . 1 . . . . 33 LYS CA . 17324 1 397 . 1 1 33 33 LYS CB C 13 32.687 0.4 . 1 . . . . 33 LYS CB . 17324 1 398 . 1 1 33 33 LYS CG C 13 29.69 0.4 . 1 . . . . 33 LYS CG . 17324 1 399 . 1 1 33 33 LYS CD C 13 25.703 0.4 . 1 . . . . 33 LYS CD . 17324 1 400 . 1 1 33 33 LYS CE C 13 41.919 0.4 . 1 . . . . 33 LYS CE . 17324 1 401 . 1 1 33 33 LYS N N 15 121.119 0.1 . 1 . . . . 33 LYS N . 17324 1 402 . 1 1 34 34 GLU H H 1 8.879 0.02 . 1 . . . . 34 GLU HN . 17324 1 403 . 1 1 34 34 GLU HA H 1 3.962 0.02 . 1 . . . . 34 GLU HA . 17324 1 404 . 1 1 34 34 GLU HB2 H 1 1.957 0.02 . 2 . . . . 34 GLU HB2 . 17324 1 405 . 1 1 34 34 GLU HB3 H 1 2.109 0.02 . 2 . . . . 34 GLU HB3 . 17324 1 406 . 1 1 34 34 GLU HG2 H 1 2.253 0.02 . 2 . . . . 34 GLU HG2 . 17324 1 407 . 1 1 34 34 GLU HG3 H 1 2.464 0.02 . 2 . . . . 34 GLU HG3 . 17324 1 408 . 1 1 34 34 GLU C C 13 179.68 0.4 . 1 . . . . 34 GLU C . 17324 1 409 . 1 1 34 34 GLU CA C 13 60.808 0.4 . 1 . . . . 34 GLU CA . 17324 1 410 . 1 1 34 34 GLU CB C 13 28.953 0.4 . 1 . . . . 34 GLU CB . 17324 1 411 . 1 1 34 34 GLU CG C 13 37.323 0.4 . 1 . . . . 34 GLU CG . 17324 1 412 . 1 1 34 34 GLU N N 15 116.386 0.1 . 1 . . . . 34 GLU N . 17324 1 413 . 1 1 35 35 GLU H H 1 7.684 0.02 . 1 . . . . 35 GLU HN . 17324 1 414 . 1 1 35 35 GLU HA H 1 4.061 0.02 . 1 . . . . 35 GLU HA . 17324 1 415 . 1 1 35 35 GLU HB2 H 1 1.93 0.02 . 2 . . . . 35 GLU HB2 . 17324 1 416 . 1 1 35 35 GLU HB3 H 1 2.355 0.02 . 2 . . . . 35 GLU HB3 . 17324 1 417 . 1 1 35 35 GLU C C 13 179.293 0.4 . 1 . . . . 35 GLU C . 17324 1 418 . 1 1 35 35 GLU CB C 13 31.337 0.4 . 1 . . . . 35 GLU CB . 17324 1 419 . 1 1 35 35 GLU N N 15 119.818 0.1 . 1 . . . . 35 GLU N . 17324 1 420 . 1 1 36 36 LEU H H 1 8.704 0.02 . 1 . . . . 36 LEU HN . 17324 1 421 . 1 1 36 36 LEU HA H 1 3.964 0.02 . 1 . . . . 36 LEU HA . 17324 1 422 . 1 1 36 36 LEU HB2 H 1 1.76 0.02 . 2 . . . . 36 LEU HB2 . 17324 1 423 . 1 1 36 36 LEU HB3 H 1 1.948 0.02 . 2 . . . . 36 LEU HB3 . 17324 1 424 . 1 1 36 36 LEU HG H 1 1.647 0.02 . 1 . . . . 36 LEU HG . 17324 1 425 . 1 1 36 36 LEU HD11 H 1 0.614 0.02 . 2 . . . . 36 LEU HD1# . 17324 1 426 . 1 1 36 36 LEU HD12 H 1 0.614 0.02 . 2 . . . . 36 LEU HD1# . 17324 1 427 . 1 1 36 36 LEU HD13 H 1 0.614 0.02 . 2 . . . . 36 LEU HD1# . 17324 1 428 . 1 1 36 36 LEU HD21 H 1 0.723 0.02 . 2 . . . . 36 LEU HD2# . 17324 1 429 . 1 1 36 36 LEU HD22 H 1 0.723 0.02 . 2 . . . . 36 LEU HD2# . 17324 1 430 . 1 1 36 36 LEU HD23 H 1 0.723 0.02 . 2 . . . . 36 LEU HD2# . 17324 1 431 . 1 1 36 36 LEU C C 13 179.109 0.4 . 1 . . . . 36 LEU C . 17324 1 432 . 1 1 36 36 LEU CA C 13 58.688 0.4 . 1 . . . . 36 LEU CA . 17324 1 433 . 1 1 36 36 LEU CB C 13 42.704 0.4 . 1 . . . . 36 LEU CB . 17324 1 434 . 1 1 36 36 LEU CG C 13 27.278 0.4 . 1 . . . . 36 LEU CG . 17324 1 435 . 1 1 36 36 LEU CD1 C 13 26.06 0.4 . 2 . . . . 36 LEU CD1 . 17324 1 436 . 1 1 36 36 LEU CD2 C 13 24.913 0.4 . 2 . . . . 36 LEU CD2 . 17324 1 437 . 1 1 36 36 LEU N N 15 120.572 0.1 . 1 . . . . 36 LEU N . 17324 1 438 . 1 1 37 37 LEU H H 1 8.808 0.02 . 1 . . . . 37 LEU HN . 17324 1 439 . 1 1 37 37 LEU HA H 1 3.738 0.02 . 1 . . . . 37 LEU HA . 17324 1 440 . 1 1 37 37 LEU HB2 H 1 1.425 0.02 . 2 . . . . 37 LEU HB2 . 17324 1 441 . 1 1 37 37 LEU HB3 H 1 1.814 0.02 . 2 . . . . 37 LEU HB3 . 17324 1 442 . 1 1 37 37 LEU HG H 1 1.637 0.02 . 1 . . . . 37 LEU HG . 17324 1 443 . 1 1 37 37 LEU HD11 H 1 0.349 0.02 . 2 . . . . 37 LEU HD1# . 17324 1 444 . 1 1 37 37 LEU HD12 H 1 0.349 0.02 . 2 . . . . 37 LEU HD1# . 17324 1 445 . 1 1 37 37 LEU HD13 H 1 0.349 0.02 . 2 . . . . 37 LEU HD1# . 17324 1 446 . 1 1 37 37 LEU HD21 H 1 0.634 0.02 . 2 . . . . 37 LEU HD2# . 17324 1 447 . 1 1 37 37 LEU HD22 H 1 0.634 0.02 . 2 . . . . 37 LEU HD2# . 17324 1 448 . 1 1 37 37 LEU HD23 H 1 0.634 0.02 . 2 . . . . 37 LEU HD2# . 17324 1 449 . 1 1 37 37 LEU C C 13 179.754 0.4 . 1 . . . . 37 LEU C . 17324 1 450 . 1 1 37 37 LEU CA C 13 58.667 0.4 . 1 . . . . 37 LEU CA . 17324 1 451 . 1 1 37 37 LEU CB C 13 41.654 0.4 . 1 . . . . 37 LEU CB . 17324 1 452 . 1 1 37 37 LEU CG C 13 27.027 0.4 . 1 . . . . 37 LEU CG . 17324 1 453 . 1 1 37 37 LEU CD1 C 13 23.38 0.4 . 2 . . . . 37 LEU CD1 . 17324 1 454 . 1 1 37 37 LEU CD2 C 13 25.478 0.4 . 2 . . . . 37 LEU CD2 . 17324 1 455 . 1 1 37 37 LEU N N 15 119.898 0.1 . 1 . . . . 37 LEU N . 17324 1 456 . 1 1 38 38 GLN H H 1 7.856 0.02 . 1 . . . . 38 GLN HN . 17324 1 457 . 1 1 38 38 GLN HA H 1 4.031 0.02 . 1 . . . . 38 GLN HA . 17324 1 458 . 1 1 38 38 GLN HB2 H 1 2.184 0.02 . 1 . . . . 38 GLN HB# . 17324 1 459 . 1 1 38 38 GLN HB3 H 1 2.184 0.02 . 1 . . . . 38 GLN HB# . 17324 1 460 . 1 1 38 38 GLN HG2 H 1 2.37 0.02 . 2 . . . . 38 GLN HG2 . 17324 1 461 . 1 1 38 38 GLN HG3 H 1 2.504 0.02 . 2 . . . . 38 GLN HG3 . 17324 1 462 . 1 1 38 38 GLN HE21 H 1 6.779 0.02 . 2 . . . . 38 GLN HE21 . 17324 1 463 . 1 1 38 38 GLN HE22 H 1 7.424 0.02 . 2 . . . . 38 GLN HE22 . 17324 1 464 . 1 1 38 38 GLN C C 13 179.419 0.4 . 1 . . . . 38 GLN C . 17324 1 465 . 1 1 38 38 GLN CA C 13 59.063 0.4 . 1 . . . . 38 GLN CA . 17324 1 466 . 1 1 38 38 GLN CB C 13 28.443 0.4 . 1 . . . . 38 GLN CB . 17324 1 467 . 1 1 38 38 GLN CG C 13 33.723 0.4 . 1 . . . . 38 GLN CG . 17324 1 468 . 1 1 38 38 GLN N N 15 118.292 0.1 . 1 . . . . 38 GLN N . 17324 1 469 . 1 1 38 38 GLN NE2 N 15 111.576 0.1 . 1 . . . . 38 GLN NE2 . 17324 1 470 . 1 1 39 39 ARG H H 1 8.162 0.02 . 1 . . . . 39 ARG HN . 17324 1 471 . 1 1 39 39 ARG HA H 1 4.136 0.02 . 1 . . . . 39 ARG HA . 17324 1 472 . 1 1 39 39 ARG HB2 H 1 1.97 0.02 . 1 . . . . 39 ARG HB# . 17324 1 473 . 1 1 39 39 ARG HB3 H 1 1.97 0.02 . 1 . . . . 39 ARG HB# . 17324 1 474 . 1 1 39 39 ARG HG2 H 1 1.826 0.02 . 2 . . . . 39 ARG HG2 . 17324 1 475 . 1 1 39 39 ARG HG3 H 1 1.99 0.02 . 2 . . . . 39 ARG HG3 . 17324 1 476 . 1 1 39 39 ARG HD2 H 1 2.874 0.02 . 2 . . . . 39 ARG HD2 . 17324 1 477 . 1 1 39 39 ARG HD3 H 1 3.252 0.02 . 2 . . . . 39 ARG HD3 . 17324 1 478 . 1 1 39 39 ARG C C 13 179.198 0.4 . 1 . . . . 39 ARG C . 17324 1 479 . 1 1 39 39 ARG CA C 13 58.658 0.4 . 1 . . . . 39 ARG CA . 17324 1 480 . 1 1 39 39 ARG CB C 13 31.311 0.4 . 1 . . . . 39 ARG CB . 17324 1 481 . 1 1 39 39 ARG CG C 13 28.017 0.4 . 1 . . . . 39 ARG CG . 17324 1 482 . 1 1 39 39 ARG CD C 13 43.604 0.4 . 1 . . . . 39 ARG CD . 17324 1 483 . 1 1 39 39 ARG N N 15 117.858 0.1 . 1 . . . . 39 ARG N . 17324 1 484 . 1 1 40 40 CYS H H 1 8.227 0.02 . 1 . . . . 40 CYS HN . 17324 1 485 . 1 1 40 40 CYS HA H 1 4.125 0.02 . 1 . . . . 40 CYS HA . 17324 1 486 . 1 1 40 40 CYS HB2 H 1 2.882 0.02 . 2 . . . . 40 CYS HB2 . 17324 1 487 . 1 1 40 40 CYS HB3 H 1 3.034 0.02 . 2 . . . . 40 CYS HB3 . 17324 1 488 . 1 1 40 40 CYS C C 13 175.19 0.4 . 1 . . . . 40 CYS C . 17324 1 489 . 1 1 40 40 CYS CA C 13 62.123 0.4 . 1 . . . . 40 CYS CA . 17324 1 490 . 1 1 40 40 CYS CB C 13 27.51 0.4 . 1 . . . . 40 CYS CB . 17324 1 491 . 1 1 40 40 CYS N N 15 116.269 0.1 . 1 . . . . 40 CYS N . 17324 1 492 . 1 1 41 41 ALA H H 1 7.787 0.02 . 1 . . . . 41 ALA HN . 17324 1 493 . 1 1 41 41 ALA HA H 1 4.144 0.02 . 1 . . . . 41 ALA HA . 17324 1 494 . 1 1 41 41 ALA HB1 H 1 1.399 0.02 . 1 . . . . 41 ALA HB# . 17324 1 495 . 1 1 41 41 ALA HB2 H 1 1.399 0.02 . 1 . . . . 41 ALA HB# . 17324 1 496 . 1 1 41 41 ALA HB3 H 1 1.399 0.02 . 1 . . . . 41 ALA HB# . 17324 1 497 . 1 1 41 41 ALA C C 13 178.121 0.4 . 1 . . . . 41 ALA C . 17324 1 498 . 1 1 41 41 ALA CA C 13 53.635 0.4 . 1 . . . . 41 ALA CA . 17324 1 499 . 1 1 41 41 ALA CB C 13 18.034 0.4 . 1 . . . . 41 ALA CB . 17324 1 500 . 1 1 41 41 ALA N N 15 122.023 0.1 . 1 . . . . 41 ALA N . 17324 1 501 . 1 1 42 42 GLN H H 1 7.764 0.02 . 1 . . . . 42 GLN HN . 17324 1 502 . 1 1 42 42 GLN HA H 1 4.153 0.02 . 1 . . . . 42 GLN HA . 17324 1 503 . 1 1 42 42 GLN HB2 H 1 1.899 0.02 . 2 . . . . 42 GLN HB2 . 17324 1 504 . 1 1 42 42 GLN HB3 H 1 2.002 0.02 . 2 . . . . 42 GLN HB3 . 17324 1 505 . 1 1 42 42 GLN HG2 H 1 2.237 0.02 . 1 . . . . 42 GLN HG# . 17324 1 506 . 1 1 42 42 GLN HG3 H 1 2.237 0.02 . 1 . . . . 42 GLN HG# . 17324 1 507 . 1 1 42 42 GLN HE21 H 1 6.816 0.02 . 2 . . . . 42 GLN HE21 . 17324 1 508 . 1 1 42 42 GLN HE22 H 1 7.398 0.02 . 2 . . . . 42 GLN HE22 . 17324 1 509 . 1 1 42 42 GLN CA C 13 56.528 0.4 . 1 . . . . 42 GLN CA . 17324 1 510 . 1 1 42 42 GLN CB C 13 29.189 0.4 . 1 . . . . 42 GLN CB . 17324 1 511 . 1 1 42 42 GLN CG C 13 33.849 0.4 . 1 . . . . 42 GLN CG . 17324 1 512 . 1 1 42 42 GLN N N 15 116.595 0.1 . 1 . . . . 42 GLN N . 17324 1 513 . 1 1 42 42 GLN NE2 N 15 112.397 0.1 . 1 . . . . 42 GLN NE2 . 17324 1 514 . 1 1 43 43 LYS HA H 1 4.293 0.02 . 1 . . . . 43 LYS HA . 17324 1 515 . 1 1 43 43 LYS HB2 H 1 1.718 0.02 . 2 . . . . 43 LYS HB2 . 17324 1 516 . 1 1 43 43 LYS HB3 H 1 1.848 0.02 . 2 . . . . 43 LYS HB3 . 17324 1 517 . 1 1 43 43 LYS HG2 H 1 1.417 0.02 . 1 . . . . 43 LYS HG# . 17324 1 518 . 1 1 43 43 LYS HG3 H 1 1.417 0.02 . 1 . . . . 43 LYS HG# . 17324 1 519 . 1 1 43 43 LYS HD2 H 1 1.642 0.02 . 1 . . . . 43 LYS HD# . 17324 1 520 . 1 1 43 43 LYS HD3 H 1 1.642 0.02 . 1 . . . . 43 LYS HD# . 17324 1 521 . 1 1 43 43 LYS HE2 H 1 2.941 0.02 . 1 . . . . 43 LYS HE# . 17324 1 522 . 1 1 43 43 LYS HE3 H 1 2.941 0.02 . 1 . . . . 43 LYS HE# . 17324 1 523 . 1 1 43 43 LYS C C 13 176.375 0.4 . 1 . . . . 43 LYS C . 17324 1 524 . 1 1 43 43 LYS CA C 13 55.939 0.4 . 1 . . . . 43 LYS CA . 17324 1 525 . 1 1 43 43 LYS CB C 13 32.915 0.4 . 1 . . . . 43 LYS CB . 17324 1 526 . 1 1 43 43 LYS CG C 13 24.716 0.4 . 1 . . . . 43 LYS CG . 17324 1 527 . 1 1 43 43 LYS CD C 13 28.583 0.4 . 1 . . . . 43 LYS CD . 17324 1 528 . 1 1 43 43 LYS CE C 13 41.999 0.4 . 1 . . . . 43 LYS CE . 17324 1 529 . 1 1 44 44 SER H H 1 8.01 0.02 . 1 . . . . 44 SER HN . 17324 1 530 . 1 1 44 44 SER HA H 1 4.704 0.02 . 1 . . . . 44 SER HA . 17324 1 531 . 1 1 44 44 SER HB2 H 1 3.752 0.02 . 1 . . . . 44 SER HB# . 17324 1 532 . 1 1 44 44 SER HB3 H 1 3.752 0.02 . 1 . . . . 44 SER HB# . 17324 1 533 . 1 1 44 44 SER CA C 13 55.959 0.4 . 1 . . . . 44 SER CA . 17324 1 534 . 1 1 44 44 SER CB C 13 63.729 0.4 . 1 . . . . 44 SER CB . 17324 1 535 . 1 1 44 44 SER N N 15 116.032 0.1 . 1 . . . . 44 SER N . 17324 1 536 . 1 1 45 45 PRO HA H 1 4.432 0.02 . 1 . . . . 45 PRO HA . 17324 1 537 . 1 1 45 45 PRO HB2 H 1 1.874 0.02 . 2 . . . . 45 PRO HB2 . 17324 1 538 . 1 1 45 45 PRO HB3 H 1 2.261 0.02 . 2 . . . . 45 PRO HB3 . 17324 1 539 . 1 1 45 45 PRO HG2 H 1 1.943 0.02 . 1 . . . . 45 PRO HG# . 17324 1 540 . 1 1 45 45 PRO HG3 H 1 1.943 0.02 . 1 . . . . 45 PRO HG# . 17324 1 541 . 1 1 45 45 PRO HD2 H 1 3.603 0.02 . 1 . . . . 45 PRO HD# . 17324 1 542 . 1 1 45 45 PRO HD3 H 1 3.603 0.02 . 1 . . . . 45 PRO HD# . 17324 1 543 . 1 1 45 45 PRO C C 13 176.989 0.4 . 1 . . . . 45 PRO C . 17324 1 544 . 1 1 45 45 PRO CA C 13 63.608 0.4 . 1 . . . . 45 PRO CA . 17324 1 545 . 1 1 45 45 PRO CB C 13 32.168 0.4 . 1 . . . . 45 PRO CB . 17324 1 546 . 1 1 45 45 PRO CG C 13 27.349 0.4 . 1 . . . . 45 PRO CG . 17324 1 547 . 1 1 46 46 ARG H H 1 8.186 0.02 . 1 . . . . 46 ARG HN . 17324 1 548 . 1 1 46 46 ARG HA H 1 4.259 0.02 . 1 . . . . 46 ARG HA . 17324 1 549 . 1 1 46 46 ARG HB2 H 1 1.708 0.02 . 2 . . . . 46 ARG HB2 . 17324 1 550 . 1 1 46 46 ARG HB3 H 1 1.795 0.02 . 2 . . . . 46 ARG HB3 . 17324 1 551 . 1 1 46 46 ARG HG2 H 1 1.603 0.02 . 1 . . . . 46 ARG HG# . 17324 1 552 . 1 1 46 46 ARG HG3 H 1 1.603 0.02 . 1 . . . . 46 ARG HG# . 17324 1 553 . 1 1 46 46 ARG HD2 H 1 3.138 0.02 . 1 . . . . 46 ARG HD# . 17324 1 554 . 1 1 46 46 ARG HD3 H 1 3.138 0.02 . 1 . . . . 46 ARG HD# . 17324 1 555 . 1 1 46 46 ARG C C 13 176.301 0.4 . 1 . . . . 46 ARG C . 17324 1 556 . 1 1 46 46 ARG CA C 13 56.216 0.4 . 1 . . . . 46 ARG CA . 17324 1 557 . 1 1 46 46 ARG CB C 13 30.457 0.4 . 1 . . . . 46 ARG CB . 17324 1 558 . 1 1 46 46 ARG CG C 13 27.177 0.4 . 1 . . . . 46 ARG CG . 17324 1 559 . 1 1 46 46 ARG CD C 13 43.251 0.4 . 1 . . . . 46 ARG CD . 17324 1 560 . 1 1 46 46 ARG N N 15 119.451 0.1 . 1 . . . . 46 ARG N . 17324 1 561 . 1 1 47 47 VAL H H 1 7.898 0.02 . 1 . . . . 47 VAL HN . 17324 1 562 . 1 1 47 47 VAL HA H 1 4.145 0.02 . 1 . . . . 47 VAL HA . 17324 1 563 . 1 1 47 47 VAL HB H 1 2.049 0.02 . 1 . . . . 47 VAL HB . 17324 1 564 . 1 1 47 47 VAL HG11 H 1 0.848 0.02 . 2 . . . . 47 VAL HG1# . 17324 1 565 . 1 1 47 47 VAL HG12 H 1 0.848 0.02 . 2 . . . . 47 VAL HG1# . 17324 1 566 . 1 1 47 47 VAL HG13 H 1 0.848 0.02 . 2 . . . . 47 VAL HG1# . 17324 1 567 . 1 1 47 47 VAL HG21 H 1 0.845 0.02 . 2 . . . . 47 VAL HG2# . 17324 1 568 . 1 1 47 47 VAL HG22 H 1 0.845 0.02 . 2 . . . . 47 VAL HG2# . 17324 1 569 . 1 1 47 47 VAL HG23 H 1 0.845 0.02 . 2 . . . . 47 VAL HG2# . 17324 1 570 . 1 1 47 47 VAL C C 13 175.221 0.4 . 1 . . . . 47 VAL C . 17324 1 571 . 1 1 47 47 VAL CA C 13 61.558 0.4 . 1 . . . . 47 VAL CA . 17324 1 572 . 1 1 47 47 VAL CB C 13 33.088 0.4 . 1 . . . . 47 VAL CB . 17324 1 573 . 1 1 47 47 VAL CG1 C 13 20.423 0.4 . 2 . . . . 47 VAL CG1 . 17324 1 574 . 1 1 47 47 VAL CG2 C 13 21.464 0.4 . 2 . . . . 47 VAL CG2 . 17324 1 575 . 1 1 47 47 VAL N N 15 120.314 0.1 . 1 . . . . 47 VAL N . 17324 1 576 . 1 1 48 48 ALA H H 1 8.15 0.02 . 1 . . . . 48 ALA HN . 17324 1 577 . 1 1 48 48 ALA HA H 1 4.535 0.02 . 1 . . . . 48 ALA HA . 17324 1 578 . 1 1 48 48 ALA HB1 H 1 1.279 0.02 . 1 . . . . 48 ALA HB# . 17324 1 579 . 1 1 48 48 ALA HB2 H 1 1.279 0.02 . 1 . . . . 48 ALA HB# . 17324 1 580 . 1 1 48 48 ALA HB3 H 1 1.279 0.02 . 1 . . . . 48 ALA HB# . 17324 1 581 . 1 1 48 48 ALA CA C 13 50.37 0.4 . 1 . . . . 48 ALA CA . 17324 1 582 . 1 1 48 48 ALA CB C 13 18.358 0.4 . 1 . . . . 48 ALA CB . 17324 1 583 . 1 1 48 48 ALA N N 15 127.994 0.1 . 1 . . . . 48 ALA N . 17324 1 584 . 1 1 49 49 PRO HA H 1 4.359 0.02 . 1 . . . . 49 PRO HA . 17324 1 585 . 1 1 49 49 PRO HB2 H 1 1.909 0.02 . 2 . . . . 49 PRO HB2 . 17324 1 586 . 1 1 49 49 PRO HB3 H 1 2.245 0.02 . 2 . . . . 49 PRO HB3 . 17324 1 587 . 1 1 49 49 PRO HG2 H 1 1.903 0.02 . 2 . . . . 49 PRO HG2 . 17324 1 588 . 1 1 49 49 PRO HG3 H 1 2.001 0.02 . 2 . . . . 49 PRO HG3 . 17324 1 589 . 1 1 49 49 PRO HD2 H 1 3.554 0.02 . 2 . . . . 49 PRO HD2 . 17324 1 590 . 1 1 49 49 PRO HD3 H 1 3.723 0.02 . 2 . . . . 49 PRO HD3 . 17324 1 591 . 1 1 49 49 PRO CA C 13 63.812 0.4 . 1 . . . . 49 PRO CA . 17324 1 592 . 1 1 49 49 PRO CB C 13 31.93 0.4 . 1 . . . . 49 PRO CB . 17324 1 593 . 1 1 49 49 PRO CG C 13 27.515 0.4 . 1 . . . . 49 PRO CG . 17324 1 594 . 1 1 49 49 PRO CD C 13 50.573 0.4 . 1 . . . . 49 PRO CD . 17324 1 595 . 1 1 50 50 GLY HA2 H 1 3.538 0.02 . 1 . . . . 50 GLY HA2 . 17324 1 596 . 1 1 50 50 GLY HA3 H 1 3.893 0.02 . 1 . . . . 50 GLY HA3 . 17324 1 597 . 1 1 50 50 GLY CA C 13 43.102 0.4 . 1 . . . . 50 GLY CA . 17324 1 598 . 1 1 51 51 SER HA H 1 4.416 0.02 . 1 . . . . 51 SER HA . 17324 1 599 . 1 1 51 51 SER HB2 H 1 3.751 0.02 . 2 . . . . 51 SER HB2 . 17324 1 600 . 1 1 51 51 SER HB3 H 1 3.827 0.02 . 2 . . . . 51 SER HB3 . 17324 1 601 . 1 1 51 51 SER CA C 13 58.707 0.4 . 1 . . . . 51 SER CA . 17324 1 602 . 1 1 51 51 SER CB C 13 64.171 0.4 . 1 . . . . 51 SER CB . 17324 1 603 . 1 1 52 52 ALA HA H 1 4.572 0.02 . 1 . . . . 52 ALA HA . 17324 1 604 . 1 1 52 52 ALA HB1 H 1 1.346 0.02 . 1 . . . . 52 ALA HB# . 17324 1 605 . 1 1 52 52 ALA HB2 H 1 1.346 0.02 . 1 . . . . 52 ALA HB# . 17324 1 606 . 1 1 52 52 ALA HB3 H 1 1.346 0.02 . 1 . . . . 52 ALA HB# . 17324 1 607 . 1 1 52 52 ALA CA C 13 51.158 0.4 . 1 . . . . 52 ALA CA . 17324 1 608 . 1 1 52 52 ALA CB C 13 18.37 0.4 . 1 . . . . 52 ALA CB . 17324 1 609 . 1 1 53 53 PRO HA H 1 4.636 0.02 . 1 . . . . 53 PRO HA . 17324 1 610 . 1 1 53 53 PRO HB2 H 1 1.696 0.02 . 2 . . . . 53 PRO HB2 . 17324 1 611 . 1 1 53 53 PRO HB3 H 1 2.256 0.02 . 2 . . . . 53 PRO HB3 . 17324 1 612 . 1 1 53 53 PRO HG2 H 1 1.956 0.02 . 1 . . . . 53 PRO HG# . 17324 1 613 . 1 1 53 53 PRO HG3 H 1 1.956 0.02 . 1 . . . . 53 PRO HG# . 17324 1 614 . 1 1 53 53 PRO HD2 H 1 3.547 0.02 . 2 . . . . 53 PRO HD2 . 17324 1 615 . 1 1 53 53 PRO HD3 H 1 3.759 0.02 . 2 . . . . 53 PRO HD3 . 17324 1 616 . 1 1 53 53 PRO CA C 13 61.759 0.4 . 1 . . . . 53 PRO CA . 17324 1 617 . 1 1 53 53 PRO CB C 13 31.026 0.4 . 1 . . . . 53 PRO CB . 17324 1 618 . 1 1 53 53 PRO CG C 13 27.49 0.4 . 1 . . . . 53 PRO CG . 17324 1 619 . 1 1 53 53 PRO CD C 13 50.529 0.4 . 1 . . . . 53 PRO CD . 17324 1 620 . 1 1 54 54 PRO HA H 1 4.517 0.02 . 1 . . . . 54 PRO HA . 17324 1 621 . 1 1 54 54 PRO HB2 H 1 1.891 0.02 . 2 . . . . 54 PRO HB2 . 17324 1 622 . 1 1 54 54 PRO HB3 H 1 2.172 0.02 . 2 . . . . 54 PRO HB3 . 17324 1 623 . 1 1 54 54 PRO HG2 H 1 1.929 0.02 . 1 . . . . 54 PRO HG# . 17324 1 624 . 1 1 54 54 PRO HG3 H 1 1.929 0.02 . 1 . . . . 54 PRO HG# . 17324 1 625 . 1 1 54 54 PRO HD2 H 1 3.436 0.02 . 2 . . . . 54 PRO HD2 . 17324 1 626 . 1 1 54 54 PRO HD3 H 1 3.732 0.02 . 2 . . . . 54 PRO HD3 . 17324 1 627 . 1 1 54 54 PRO CA C 13 63.821 0.4 . 1 . . . . 54 PRO CA . 17324 1 628 . 1 1 54 54 PRO CB C 13 31.871 0.4 . 1 . . . . 54 PRO CB . 17324 1 629 . 1 1 54 54 PRO CG C 13 27.523 0.4 . 1 . . . . 54 PRO CG . 17324 1 630 . 1 1 54 54 PRO CD C 13 50.457 0.4 . 1 . . . . 54 PRO CD . 17324 1 631 . 1 1 55 55 TRP HA H 1 5.123 0.02 . 1 . . . . 55 TRP HA . 17324 1 632 . 1 1 55 55 TRP HB2 H 1 3.133 0.02 . 2 . . . . 55 TRP HB2 . 17324 1 633 . 1 1 55 55 TRP HB3 H 1 3.551 0.02 . 2 . . . . 55 TRP HB3 . 17324 1 634 . 1 1 55 55 TRP HD1 H 1 7.275 0.02 . 1 . . . . 55 TRP HD1 . 17324 1 635 . 1 1 55 55 TRP HE1 H 1 10.391 0.02 . 1 . . . . 55 TRP HE1 . 17324 1 636 . 1 1 55 55 TRP HE3 H 1 7.285 0.02 . 1 . . . . 55 TRP HE3 . 17324 1 637 . 1 1 55 55 TRP HZ2 H 1 7.367 0.02 . 1 . . . . 55 TRP HZ2 . 17324 1 638 . 1 1 55 55 TRP HZ3 H 1 6.776 0.02 . 1 . . . . 55 TRP HZ3 . 17324 1 639 . 1 1 55 55 TRP HH2 H 1 7.065 0.02 . 1 . . . . 55 TRP HH2 . 17324 1 640 . 1 1 55 55 TRP CA C 13 55.867 0.4 . 1 . . . . 55 TRP CA . 17324 1 641 . 1 1 55 55 TRP CB C 13 29.194 0.4 . 1 . . . . 55 TRP CB . 17324 1 642 . 1 1 55 55 TRP CD1 C 13 124.731 0.4 . 1 . . . . 55 TRP CD1 . 17324 1 643 . 1 1 55 55 TRP CE3 C 13 121.474 0.4 . 1 . . . . 55 TRP CE3 . 17324 1 644 . 1 1 55 55 TRP CZ2 C 13 114.838 0.4 . 1 . . . . 55 TRP CZ2 . 17324 1 645 . 1 1 55 55 TRP CZ3 C 13 121.348 0.4 . 1 . . . . 55 TRP CZ3 . 17324 1 646 . 1 1 55 55 TRP CH2 C 13 124.768 0.4 . 1 . . . . 55 TRP CH2 . 17324 1 647 . 1 1 55 55 TRP NE1 N 15 128.872 0.1 . 1 . . . . 55 TRP NE1 . 17324 1 648 . 1 1 56 56 PRO HA H 1 4.141 0.02 . 1 . . . . 56 PRO HA . 17324 1 649 . 1 1 56 56 PRO HB2 H 1 1.999 0.02 . 2 . . . . 56 PRO HB2 . 17324 1 650 . 1 1 56 56 PRO HB3 H 1 2.391 0.02 . 2 . . . . 56 PRO HB3 . 17324 1 651 . 1 1 56 56 PRO HG2 H 1 2.001 0.02 . 2 . . . . 56 PRO HG2 . 17324 1 652 . 1 1 56 56 PRO HG3 H 1 2.246 0.02 . 2 . . . . 56 PRO HG3 . 17324 1 653 . 1 1 56 56 PRO HD2 H 1 3.99 0.02 . 1 . . . . 56 PRO HD# . 17324 1 654 . 1 1 56 56 PRO HD3 H 1 3.99 0.02 . 1 . . . . 56 PRO HD# . 17324 1 655 . 1 1 56 56 PRO CA C 13 66.316 0.4 . 1 . . . . 56 PRO CA . 17324 1 656 . 1 1 56 56 PRO CB C 13 32.144 0.4 . 1 . . . . 56 PRO CB . 17324 1 657 . 1 1 56 56 PRO CG C 13 28.177 0.4 . 1 . . . . 56 PRO CG . 17324 1 658 . 1 1 56 56 PRO CD C 13 50.617 0.4 . 1 . . . . 56 PRO CD . 17324 1 659 . 1 1 57 57 ALA HA H 1 4.086 0.02 . 1 . . . . 57 ALA HA . 17324 1 660 . 1 1 57 57 ALA HB1 H 1 1.168 0.02 . 1 . . . . 57 ALA HB# . 17324 1 661 . 1 1 57 57 ALA HB2 H 1 1.168 0.02 . 1 . . . . 57 ALA HB# . 17324 1 662 . 1 1 57 57 ALA HB3 H 1 1.168 0.02 . 1 . . . . 57 ALA HB# . 17324 1 663 . 1 1 57 57 ALA CA C 13 54.844 0.4 . 1 . . . . 57 ALA CA . 17324 1 664 . 1 1 57 57 ALA CB C 13 18.5 0.4 . 1 . . . . 57 ALA CB . 17324 1 665 . 1 1 58 58 LEU HA H 1 3.587 0.02 . 1 . . . . 58 LEU HA . 17324 1 666 . 1 1 58 58 LEU HB2 H 1 0.509 0.02 . 2 . . . . 58 LEU HB2 . 17324 1 667 . 1 1 58 58 LEU HB3 H 1 1.724 0.02 . 2 . . . . 58 LEU HB3 . 17324 1 668 . 1 1 58 58 LEU HG H 1 1.251 0.02 . 1 . . . . 58 LEU HG . 17324 1 669 . 1 1 58 58 LEU HD11 H 1 0.373 0.02 . 2 . . . . 58 LEU HD1# . 17324 1 670 . 1 1 58 58 LEU HD12 H 1 0.373 0.02 . 2 . . . . 58 LEU HD1# . 17324 1 671 . 1 1 58 58 LEU HD13 H 1 0.373 0.02 . 2 . . . . 58 LEU HD1# . 17324 1 672 . 1 1 58 58 LEU HD21 H 1 0.38 0.02 . 2 . . . . 58 LEU HD2# . 17324 1 673 . 1 1 58 58 LEU HD22 H 1 0.38 0.02 . 2 . . . . 58 LEU HD2# . 17324 1 674 . 1 1 58 58 LEU HD23 H 1 0.38 0.02 . 2 . . . . 58 LEU HD2# . 17324 1 675 . 1 1 58 58 LEU C C 13 178.091 0.4 . 1 . . . . 58 LEU C . 17324 1 676 . 1 1 58 58 LEU CA C 13 57.45 0.4 . 1 . . . . 58 LEU CA . 17324 1 677 . 1 1 58 58 LEU CB C 13 41.396 0.4 . 1 . . . . 58 LEU CB . 17324 1 678 . 1 1 58 58 LEU CG C 13 26.767 0.4 . 1 . . . . 58 LEU CG . 17324 1 679 . 1 1 58 58 LEU CD1 C 13 25.209 0.4 . 2 . . . . 58 LEU CD1 . 17324 1 680 . 1 1 58 58 LEU CD2 C 13 22.335 0.4 . 2 . . . . 58 LEU CD2 . 17324 1 681 . 1 1 59 59 ARG H H 1 7.794 0.02 . 1 . . . . 59 ARG HN . 17324 1 682 . 1 1 59 59 ARG HA H 1 3.8 0.02 . 1 . . . . 59 ARG HA . 17324 1 683 . 1 1 59 59 ARG HB2 H 1 1.822 0.02 . 1 . . . . 59 ARG HB# . 17324 1 684 . 1 1 59 59 ARG HB3 H 1 1.822 0.02 . 1 . . . . 59 ARG HB# . 17324 1 685 . 1 1 59 59 ARG HG2 H 1 1.461 0.02 . 2 . . . . 59 ARG HG2 . 17324 1 686 . 1 1 59 59 ARG HG3 H 1 1.658 0.02 . 2 . . . . 59 ARG HG3 . 17324 1 687 . 1 1 59 59 ARG HD2 H 1 3.15 0.02 . 1 . . . . 59 ARG HD# . 17324 1 688 . 1 1 59 59 ARG HD3 H 1 3.15 0.02 . 1 . . . . 59 ARG HD# . 17324 1 689 . 1 1 59 59 ARG C C 13 179.057 0.4 . 1 . . . . 59 ARG C . 17324 1 690 . 1 1 59 59 ARG CA C 13 59.703 0.4 . 1 . . . . 59 ARG CA . 17324 1 691 . 1 1 59 59 ARG CB C 13 29.563 0.4 . 1 . . . . 59 ARG CB . 17324 1 692 . 1 1 59 59 ARG CG C 13 27.457 0.4 . 1 . . . . 59 ARG CG . 17324 1 693 . 1 1 59 59 ARG CD C 13 43.483 0.4 . 1 . . . . 59 ARG CD . 17324 1 694 . 1 1 59 59 ARG N N 15 117.459 0.1 . 1 . . . . 59 ARG N . 17324 1 695 . 1 1 60 60 SER H H 1 8.074 0.02 . 1 . . . . 60 SER HN . 17324 1 696 . 1 1 60 60 SER HA H 1 4.212 0.02 . 1 . . . . 60 SER HA . 17324 1 697 . 1 1 60 60 SER HB2 H 1 3.945 0.02 . 1 . . . . 60 SER HB# . 17324 1 698 . 1 1 60 60 SER HB3 H 1 3.945 0.02 . 1 . . . . 60 SER HB# . 17324 1 699 . 1 1 60 60 SER C C 13 176.474 0.4 . 1 . . . . 60 SER C . 17324 1 700 . 1 1 60 60 SER CA C 13 61.594 0.4 . 1 . . . . 60 SER CA . 17324 1 701 . 1 1 60 60 SER CB C 13 62.809 0.4 . 1 . . . . 60 SER CB . 17324 1 702 . 1 1 60 60 SER N N 15 114.743 0.1 . 1 . . . . 60 SER N . 17324 1 703 . 1 1 61 61 LEU H H 1 7.55 0.02 . 1 . . . . 61 LEU HN . 17324 1 704 . 1 1 61 61 LEU HA H 1 3.925 0.02 . 1 . . . . 61 LEU HA . 17324 1 705 . 1 1 61 61 LEU HB2 H 1 1.206 0.02 . 2 . . . . 61 LEU HB2 . 17324 1 706 . 1 1 61 61 LEU HB3 H 1 1.98 0.02 . 2 . . . . 61 LEU HB3 . 17324 1 707 . 1 1 61 61 LEU HG H 1 1.991 0.02 . 1 . . . . 61 LEU HG . 17324 1 708 . 1 1 61 61 LEU HD11 H 1 0.841 0.02 . 2 . . . . 61 LEU HD1# . 17324 1 709 . 1 1 61 61 LEU HD12 H 1 0.841 0.02 . 2 . . . . 61 LEU HD1# . 17324 1 710 . 1 1 61 61 LEU HD13 H 1 0.841 0.02 . 2 . . . . 61 LEU HD1# . 17324 1 711 . 1 1 61 61 LEU HD21 H 1 0.875 0.02 . 2 . . . . 61 LEU HD2# . 17324 1 712 . 1 1 61 61 LEU HD22 H 1 0.875 0.02 . 2 . . . . 61 LEU HD2# . 17324 1 713 . 1 1 61 61 LEU HD23 H 1 0.875 0.02 . 2 . . . . 61 LEU HD2# . 17324 1 714 . 1 1 61 61 LEU C C 13 180.131 0.4 . 1 . . . . 61 LEU C . 17324 1 715 . 1 1 61 61 LEU CA C 13 57.855 0.4 . 1 . . . . 61 LEU CA . 17324 1 716 . 1 1 61 61 LEU CB C 13 42.672 0.4 . 1 . . . . 61 LEU CB . 17324 1 717 . 1 1 61 61 LEU CG C 13 26.221 0.4 . 1 . . . . 61 LEU CG . 17324 1 718 . 1 1 61 61 LEU CD1 C 13 27.056 0.4 . 2 . . . . 61 LEU CD1 . 17324 1 719 . 1 1 61 61 LEU CD2 C 13 24.254 0.4 . 2 . . . . 61 LEU CD2 . 17324 1 720 . 1 1 61 61 LEU N N 15 120.984 0.1 . 1 . . . . 61 LEU N . 17324 1 721 . 1 1 62 62 LEU H H 1 8.157 0.02 . 1 . . . . 62 LEU HN . 17324 1 722 . 1 1 62 62 LEU HA H 1 4.461 0.02 . 1 . . . . 62 LEU HA . 17324 1 723 . 1 1 62 62 LEU HB2 H 1 1.614 0.02 . 2 . . . . 62 LEU HB2 . 17324 1 724 . 1 1 62 62 LEU HB3 H 1 1.949 0.02 . 2 . . . . 62 LEU HB3 . 17324 1 725 . 1 1 62 62 LEU HG H 1 1.712 0.02 . 1 . . . . 62 LEU HG . 17324 1 726 . 1 1 62 62 LEU HD11 H 1 0.934 0.02 . 2 . . . . 62 LEU HD1# . 17324 1 727 . 1 1 62 62 LEU HD12 H 1 0.934 0.02 . 2 . . . . 62 LEU HD1# . 17324 1 728 . 1 1 62 62 LEU HD13 H 1 0.934 0.02 . 2 . . . . 62 LEU HD1# . 17324 1 729 . 1 1 62 62 LEU HD21 H 1 0.968 0.02 . 2 . . . . 62 LEU HD2# . 17324 1 730 . 1 1 62 62 LEU HD22 H 1 0.968 0.02 . 2 . . . . 62 LEU HD2# . 17324 1 731 . 1 1 62 62 LEU HD23 H 1 0.968 0.02 . 2 . . . . 62 LEU HD2# . 17324 1 732 . 1 1 62 62 LEU C C 13 181.779 0.4 . 1 . . . . 62 LEU C . 17324 1 733 . 1 1 62 62 LEU CA C 13 57.901 0.4 . 1 . . . . 62 LEU CA . 17324 1 734 . 1 1 62 62 LEU CB C 13 41.753 0.4 . 1 . . . . 62 LEU CB . 17324 1 735 . 1 1 62 62 LEU CG C 13 27.205 0.4 . 1 . . . . 62 LEU CG . 17324 1 736 . 1 1 62 62 LEU CD1 C 13 24.286 0.4 . 2 . . . . 62 LEU CD1 . 17324 1 737 . 1 1 62 62 LEU CD2 C 13 26.653 0.4 . 2 . . . . 62 LEU CD2 . 17324 1 738 . 1 1 62 62 LEU N N 15 121.536 0.1 . 1 . . . . 62 LEU N . 17324 1 739 . 1 1 63 63 HIS H H 1 8.325 0.02 . 1 . . . . 63 HIS HN . 17324 1 740 . 1 1 63 63 HIS HA H 1 4.398 0.02 . 1 . . . . 63 HIS HA . 17324 1 741 . 1 1 63 63 HIS HB2 H 1 3.247 0.02 . 1 . . . . 63 HIS HB# . 17324 1 742 . 1 1 63 63 HIS HB3 H 1 3.247 0.02 . 1 . . . . 63 HIS HB# . 17324 1 743 . 1 1 63 63 HIS HD2 H 1 6.982 0.02 . 1 . . . . 63 HIS HD2 . 17324 1 744 . 1 1 63 63 HIS C C 13 177.286 0.4 . 1 . . . . 63 HIS C . 17324 1 745 . 1 1 63 63 HIS CA C 13 58.716 0.4 . 1 . . . . 63 HIS CA . 17324 1 746 . 1 1 63 63 HIS CB C 13 30.127 0.4 . 1 . . . . 63 HIS CB . 17324 1 747 . 1 1 63 63 HIS N N 15 121.117 0.1 . 1 . . . . 63 HIS N . 17324 1 748 . 1 1 64 64 ARG H H 1 7.477 0.02 . 1 . . . . 64 ARG HN . 17324 1 749 . 1 1 64 64 ARG HA H 1 4.132 0.02 . 1 . . . . 64 ARG HA . 17324 1 750 . 1 1 64 64 ARG HB2 H 1 1.322 0.02 . 2 . . . . 64 ARG HB2 . 17324 1 751 . 1 1 64 64 ARG HB3 H 1 1.885 0.02 . 2 . . . . 64 ARG HB3 . 17324 1 752 . 1 1 64 64 ARG HG2 H 1 1.448 0.02 . 2 . . . . 64 ARG HG2 . 17324 1 753 . 1 1 64 64 ARG HG3 H 1 1.678 0.02 . 2 . . . . 64 ARG HG3 . 17324 1 754 . 1 1 64 64 ARG HD2 H 1 2.294 0.02 . 1 . . . . 64 ARG HD# . 17324 1 755 . 1 1 64 64 ARG HD3 H 1 2.294 0.02 . 1 . . . . 64 ARG HD# . 17324 1 756 . 1 1 64 64 ARG C C 13 175.029 0.4 . 1 . . . . 64 ARG C . 17324 1 757 . 1 1 64 64 ARG CA C 13 56.183 0.4 . 1 . . . . 64 ARG CA . 17324 1 758 . 1 1 64 64 ARG CB C 13 31.34 0.4 . 1 . . . . 64 ARG CB . 17324 1 759 . 1 1 64 64 ARG CG C 13 28.83 0.4 . 1 . . . . 64 ARG CG . 17324 1 760 . 1 1 64 64 ARG CD C 13 42.998 0.4 . 1 . . . . 64 ARG CD . 17324 1 761 . 1 1 64 64 ARG N N 15 115.154 0.1 . 1 . . . . 64 ARG N . 17324 1 762 . 1 1 65 65 ASN H H 1 8.1 0.02 . 1 . . . . 65 ASN HN . 17324 1 763 . 1 1 65 65 ASN HA H 1 4.392 0.02 . 1 . . . . 65 ASN HA . 17324 1 764 . 1 1 65 65 ASN HB2 H 1 2.768 0.02 . 2 . . . . 65 ASN HB2 . 17324 1 765 . 1 1 65 65 ASN HB3 H 1 3.135 0.02 . 2 . . . . 65 ASN HB3 . 17324 1 766 . 1 1 65 65 ASN HD21 H 1 6.704 0.02 . 2 . . . . 65 ASN HD21 . 17324 1 767 . 1 1 65 65 ASN HD22 H 1 7.554 0.02 . 2 . . . . 65 ASN HD22 . 17324 1 768 . 1 1 65 65 ASN C C 13 174.887 0.4 . 1 . . . . 65 ASN C . 17324 1 769 . 1 1 65 65 ASN CA C 13 54.887 0.4 . 1 . . . . 65 ASN CA . 17324 1 770 . 1 1 65 65 ASN CB C 13 37.303 0.4 . 1 . . . . 65 ASN CB . 17324 1 771 . 1 1 65 65 ASN N N 15 114.655 0.1 . 1 . . . . 65 ASN N . 17324 1 772 . 1 1 65 65 ASN ND2 N 15 112.714 0.1 . 1 . . . . 65 ASN ND2 . 17324 1 773 . 1 1 66 66 LEU H H 1 8.089 0.02 . 1 . . . . 66 LEU HN . 17324 1 774 . 1 1 66 66 LEU HA H 1 4.194 0.02 . 1 . . . . 66 LEU HA . 17324 1 775 . 1 1 66 66 LEU HB2 H 1 1.378 0.02 . 2 . . . . 66 LEU HB2 . 17324 1 776 . 1 1 66 66 LEU HB3 H 1 1.708 0.02 . 2 . . . . 66 LEU HB3 . 17324 1 777 . 1 1 66 66 LEU HG H 1 1.581 0.02 . 1 . . . . 66 LEU HG . 17324 1 778 . 1 1 66 66 LEU HD11 H 1 0.723 0.02 . 2 . . . . 66 LEU HD1# . 17324 1 779 . 1 1 66 66 LEU HD12 H 1 0.723 0.02 . 2 . . . . 66 LEU HD1# . 17324 1 780 . 1 1 66 66 LEU HD13 H 1 0.723 0.02 . 2 . . . . 66 LEU HD1# . 17324 1 781 . 1 1 66 66 LEU HD21 H 1 0.887 0.02 . 2 . . . . 66 LEU HD2# . 17324 1 782 . 1 1 66 66 LEU HD22 H 1 0.887 0.02 . 2 . . . . 66 LEU HD2# . 17324 1 783 . 1 1 66 66 LEU HD23 H 1 0.887 0.02 . 2 . . . . 66 LEU HD2# . 17324 1 784 . 1 1 66 66 LEU C C 13 175.408 0.4 . 1 . . . . 66 LEU C . 17324 1 785 . 1 1 66 66 LEU CA C 13 55.857 0.4 . 1 . . . . 66 LEU CA . 17324 1 786 . 1 1 66 66 LEU CB C 13 43.676 0.4 . 1 . . . . 66 LEU CB . 17324 1 787 . 1 1 66 66 LEU CG C 13 27.251 0.4 . 1 . . . . 66 LEU CG . 17324 1 788 . 1 1 66 66 LEU CD1 C 13 21.727 0.4 . 2 . . . . 66 LEU CD1 . 17324 1 789 . 1 1 66 66 LEU CD2 C 13 27.364 0.4 . 2 . . . . 66 LEU CD2 . 17324 1 790 . 1 1 66 66 LEU N N 15 116.396 0.1 . 1 . . . . 66 LEU N . 17324 1 791 . 1 1 67 67 VAL H H 1 6.967 0.02 . 1 . . . . 67 VAL HN . 17324 1 792 . 1 1 67 67 VAL HA H 1 4.778 0.02 . 1 . . . . 67 VAL HA . 17324 1 793 . 1 1 67 67 VAL HB H 1 1.459 0.02 . 1 . . . . 67 VAL HB . 17324 1 794 . 1 1 67 67 VAL HG11 H 1 0.702 0.02 . 2 . . . . 67 VAL HG1# . 17324 1 795 . 1 1 67 67 VAL HG12 H 1 0.702 0.02 . 2 . . . . 67 VAL HG1# . 17324 1 796 . 1 1 67 67 VAL HG13 H 1 0.702 0.02 . 2 . . . . 67 VAL HG1# . 17324 1 797 . 1 1 67 67 VAL HG21 H 1 0.998 0.02 . 2 . . . . 67 VAL HG2# . 17324 1 798 . 1 1 67 67 VAL HG22 H 1 0.998 0.02 . 2 . . . . 67 VAL HG2# . 17324 1 799 . 1 1 67 67 VAL HG23 H 1 0.998 0.02 . 2 . . . . 67 VAL HG2# . 17324 1 800 . 1 1 67 67 VAL C C 13 172.609 0.4 . 1 . . . . 67 VAL C . 17324 1 801 . 1 1 67 67 VAL CA C 13 59.231 0.4 . 1 . . . . 67 VAL CA . 17324 1 802 . 1 1 67 67 VAL CB C 13 36.319 0.4 . 1 . . . . 67 VAL CB . 17324 1 803 . 1 1 67 67 VAL CG1 C 13 23.738 0.4 . 2 . . . . 67 VAL CG1 . 17324 1 804 . 1 1 67 67 VAL CG2 C 13 22.531 0.4 . 2 . . . . 67 VAL CG2 . 17324 1 805 . 1 1 67 67 VAL N N 15 116.636 0.1 . 1 . . . . 67 VAL N . 17324 1 806 . 1 1 68 68 LEU H H 1 9.422 0.02 . 1 . . . . 68 LEU HN . 17324 1 807 . 1 1 68 68 LEU HA H 1 4.527 0.02 . 1 . . . . 68 LEU HA . 17324 1 808 . 1 1 68 68 LEU HB2 H 1 1.262 0.02 . 2 . . . . 68 LEU HB2 . 17324 1 809 . 1 1 68 68 LEU HB3 H 1 1.678 0.02 . 2 . . . . 68 LEU HB3 . 17324 1 810 . 1 1 68 68 LEU HG H 1 1.37 0.02 . 1 . . . . 68 LEU HG . 17324 1 811 . 1 1 68 68 LEU HD11 H 1 0.759 0.02 . 2 . . . . 68 LEU HD1# . 17324 1 812 . 1 1 68 68 LEU HD12 H 1 0.759 0.02 . 2 . . . . 68 LEU HD1# . 17324 1 813 . 1 1 68 68 LEU HD13 H 1 0.759 0.02 . 2 . . . . 68 LEU HD1# . 17324 1 814 . 1 1 68 68 LEU HD21 H 1 0.859 0.02 . 2 . . . . 68 LEU HD2# . 17324 1 815 . 1 1 68 68 LEU HD22 H 1 0.859 0.02 . 2 . . . . 68 LEU HD2# . 17324 1 816 . 1 1 68 68 LEU HD23 H 1 0.859 0.02 . 2 . . . . 68 LEU HD2# . 17324 1 817 . 1 1 68 68 LEU C C 13 174.353 0.4 . 1 . . . . 68 LEU C . 17324 1 818 . 1 1 68 68 LEU CA C 13 53.597 0.4 . 1 . . . . 68 LEU CA . 17324 1 819 . 1 1 68 68 LEU CB C 13 45.433 0.4 . 1 . . . . 68 LEU CB . 17324 1 820 . 1 1 68 68 LEU CG C 13 26.809 0.4 . 1 . . . . 68 LEU CG . 17324 1 821 . 1 1 68 68 LEU CD1 C 13 25.827 0.4 . 2 . . . . 68 LEU CD1 . 17324 1 822 . 1 1 68 68 LEU CD2 C 13 24.118 0.4 . 2 . . . . 68 LEU CD2 . 17324 1 823 . 1 1 68 68 LEU N N 15 128.121 0.1 . 1 . . . . 68 LEU N . 17324 1 824 . 1 1 69 69 ARG H H 1 8.393 0.02 . 1 . . . . 69 ARG HN . 17324 1 825 . 1 1 69 69 ARG HA H 1 5.156 0.02 . 1 . . . . 69 ARG HA . 17324 1 826 . 1 1 69 69 ARG HB2 H 1 1.457 0.02 . 2 . . . . 69 ARG HB2 . 17324 1 827 . 1 1 69 69 ARG HB3 H 1 1.669 0.02 . 2 . . . . 69 ARG HB3 . 17324 1 828 . 1 1 69 69 ARG HG2 H 1 1.233 0.02 . 1 . . . . 69 ARG HG# . 17324 1 829 . 1 1 69 69 ARG HG3 H 1 1.233 0.02 . 1 . . . . 69 ARG HG# . 17324 1 830 . 1 1 69 69 ARG HD2 H 1 2.994 0.02 . 2 . . . . 69 ARG HD2 . 17324 1 831 . 1 1 69 69 ARG HD3 H 1 3.083 0.02 . 2 . . . . 69 ARG HD3 . 17324 1 832 . 1 1 69 69 ARG C C 13 175.848 0.4 . 1 . . . . 69 ARG C . 17324 1 833 . 1 1 69 69 ARG CA C 13 53.854 0.4 . 1 . . . . 69 ARG CA . 17324 1 834 . 1 1 69 69 ARG CB C 13 32.405 0.4 . 1 . . . . 69 ARG CB . 17324 1 835 . 1 1 69 69 ARG CG C 13 26.875 0.4 . 1 . . . . 69 ARG CG . 17324 1 836 . 1 1 69 69 ARG CD C 13 43.61 0.4 . 1 . . . . 69 ARG CD . 17324 1 837 . 1 1 69 69 ARG N N 15 124.575 0.1 . 1 . . . . 69 ARG N . 17324 1 838 . 1 1 70 70 THR H H 1 8.58 0.02 . 1 . . . . 70 THR HN . 17324 1 839 . 1 1 70 70 THR HA H 1 4.478 0.02 . 1 . . . . 70 THR HA . 17324 1 840 . 1 1 70 70 THR HB H 1 4.068 0.02 . 1 . . . . 70 THR HB . 17324 1 841 . 1 1 70 70 THR HG21 H 1 1.013 0.02 . 1 . . . . 70 THR HG2# . 17324 1 842 . 1 1 70 70 THR HG22 H 1 1.013 0.02 . 1 . . . . 70 THR HG2# . 17324 1 843 . 1 1 70 70 THR HG23 H 1 1.013 0.02 . 1 . . . . 70 THR HG2# . 17324 1 844 . 1 1 70 70 THR C C 13 173.061 0.4 . 1 . . . . 70 THR C . 17324 1 845 . 1 1 70 70 THR CA C 13 60.672 0.4 . 1 . . . . 70 THR CA . 17324 1 846 . 1 1 70 70 THR CB C 13 71.428 0.4 . 1 . . . . 70 THR CB . 17324 1 847 . 1 1 70 70 THR CG2 C 13 21.291 0.4 . 1 . . . . 70 THR CG2 . 17324 1 848 . 1 1 70 70 THR N N 15 118.544 0.1 . 1 . . . . 70 THR N . 17324 1 849 . 1 1 71 71 HIS H H 1 8.106 0.02 . 1 . . . . 71 HIS HN . 17324 1 850 . 1 1 71 71 HIS HA H 1 4 0.02 . 1 . . . . 71 HIS HA . 17324 1 851 . 1 1 71 71 HIS HB2 H 1 3.045 0.02 . 2 . . . . 71 HIS HB2 . 17324 1 852 . 1 1 71 71 HIS HB3 H 1 3.32 0.02 . 2 . . . . 71 HIS HB3 . 17324 1 853 . 1 1 71 71 HIS HD2 H 1 6.925 0.02 . 1 . . . . 71 HIS HD2 . 17324 1 854 . 1 1 71 71 HIS C C 13 173.904 0.4 . 1 . . . . 71 HIS C . 17324 1 855 . 1 1 71 71 HIS CA C 13 59.085 0.4 . 1 . . . . 71 HIS CA . 17324 1 856 . 1 1 71 71 HIS CB C 13 30.681 0.4 . 1 . . . . 71 HIS CB . 17324 1 857 . 1 1 71 71 HIS N N 15 112.22 0.1 . 1 . . . . 71 HIS N . 17324 1 858 . 1 1 72 72 GLN H H 1 7.687 0.02 . 1 . . . . 72 GLN HN . 17324 1 859 . 1 1 72 72 GLN HA H 1 4.228 0.02 . 1 . . . . 72 GLN HA . 17324 1 860 . 1 1 72 72 GLN HB2 H 1 1.876 0.02 . 1 . . . . 72 GLN HB# . 17324 1 861 . 1 1 72 72 GLN HB3 H 1 1.876 0.02 . 1 . . . . 72 GLN HB# . 17324 1 862 . 1 1 72 72 GLN HG2 H 1 2.221 0.02 . 1 . . . . 72 GLN HG# . 17324 1 863 . 1 1 72 72 GLN HG3 H 1 2.221 0.02 . 1 . . . . 72 GLN HG# . 17324 1 864 . 1 1 72 72 GLN HE21 H 1 6.824 0.02 . 2 . . . . 72 GLN HE21 . 17324 1 865 . 1 1 72 72 GLN HE22 H 1 7.482 0.02 . 2 . . . . 72 GLN HE22 . 17324 1 866 . 1 1 72 72 GLN CA C 13 53.871 0.4 . 1 . . . . 72 GLN CA . 17324 1 867 . 1 1 72 72 GLN CB C 13 30.943 0.4 . 1 . . . . 72 GLN CB . 17324 1 868 . 1 1 72 72 GLN CG C 13 33.497 0.4 . 1 . . . . 72 GLN CG . 17324 1 869 . 1 1 72 72 GLN N N 15 117.578 0.1 . 1 . . . . 72 GLN N . 17324 1 870 . 1 1 72 72 GLN NE2 N 15 112.152 0.1 . 1 . . . . 72 GLN NE2 . 17324 1 871 . 1 1 73 73 PRO HA H 1 4.621 0.02 . 1 . . . . 73 PRO HA . 17324 1 872 . 1 1 73 73 PRO HB2 H 1 2.018 0.02 . 2 . . . . 73 PRO HB2 . 17324 1 873 . 1 1 73 73 PRO HB3 H 1 2.498 0.02 . 2 . . . . 73 PRO HB3 . 17324 1 874 . 1 1 73 73 PRO HG2 H 1 1.902 0.02 . 1 . . . . 73 PRO HG# . 17324 1 875 . 1 1 73 73 PRO HG3 H 1 1.902 0.02 . 1 . . . . 73 PRO HG# . 17324 1 876 . 1 1 73 73 PRO HD2 H 1 3.534 0.02 . 1 . . . . 73 PRO HD# . 17324 1 877 . 1 1 73 73 PRO HD3 H 1 3.534 0.02 . 1 . . . . 73 PRO HD# . 17324 1 878 . 1 1 73 73 PRO C C 13 175.492 0.4 . 1 . . . . 73 PRO C . 17324 1 879 . 1 1 73 73 PRO CA C 13 63.126 0.4 . 1 . . . . 73 PRO CA . 17324 1 880 . 1 1 73 73 PRO CB C 13 34.716 0.4 . 1 . . . . 73 PRO CB . 17324 1 881 . 1 1 73 73 PRO CG C 13 25.646 0.4 . 1 . . . . 73 PRO CG . 17324 1 882 . 1 1 73 73 PRO CD C 13 50.682 0.4 . 1 . . . . 73 PRO CD . 17324 1 883 . 1 1 74 74 ALA H H 1 8.299 0.02 . 1 . . . . 74 ALA HN . 17324 1 884 . 1 1 74 74 ALA HA H 1 4.083 0.02 . 1 . . . . 74 ALA HA . 17324 1 885 . 1 1 74 74 ALA HB1 H 1 1.185 0.02 . 1 . . . . 74 ALA HB# . 17324 1 886 . 1 1 74 74 ALA HB2 H 1 1.185 0.02 . 1 . . . . 74 ALA HB# . 17324 1 887 . 1 1 74 74 ALA HB3 H 1 1.185 0.02 . 1 . . . . 74 ALA HB# . 17324 1 888 . 1 1 74 74 ALA C C 13 177.063 0.4 . 1 . . . . 74 ALA C . 17324 1 889 . 1 1 74 74 ALA CA C 13 53.376 0.4 . 1 . . . . 74 ALA CA . 17324 1 890 . 1 1 74 74 ALA CB C 13 19.891 0.4 . 1 . . . . 74 ALA CB . 17324 1 891 . 1 1 74 74 ALA N N 15 122.849 0.1 . 1 . . . . 74 ALA N . 17324 1 892 . 1 1 75 75 ARG H H 1 8.818 0.02 . 1 . . . . 75 ARG HN . 17324 1 893 . 1 1 75 75 ARG HA H 1 4.468 0.02 . 1 . . . . 75 ARG HA . 17324 1 894 . 1 1 75 75 ARG HB2 H 1 1.103 0.02 . 2 . . . . 75 ARG HB2 . 17324 1 895 . 1 1 75 75 ARG HB3 H 1 1.418 0.02 . 2 . . . . 75 ARG HB3 . 17324 1 896 . 1 1 75 75 ARG HG2 H 1 1.424 0.02 . 1 . . . . 75 ARG HG# . 17324 1 897 . 1 1 75 75 ARG HG3 H 1 1.424 0.02 . 1 . . . . 75 ARG HG# . 17324 1 898 . 1 1 75 75 ARG HD2 H 1 1.492 0.02 . 2 . . . . 75 ARG HD2 . 17324 1 899 . 1 1 75 75 ARG HD3 H 1 1.909 0.02 . 2 . . . . 75 ARG HD3 . 17324 1 900 . 1 1 75 75 ARG C C 13 175.106 0.4 . 1 . . . . 75 ARG C . 17324 1 901 . 1 1 75 75 ARG CA C 13 54.353 0.4 . 1 . . . . 75 ARG CA . 17324 1 902 . 1 1 75 75 ARG CB C 13 33.496 0.4 . 1 . . . . 75 ARG CB . 17324 1 903 . 1 1 75 75 ARG CG C 13 26.82 0.4 . 1 . . . . 75 ARG CG . 17324 1 904 . 1 1 75 75 ARG CD C 13 43.004 0.4 . 1 . . . . 75 ARG CD . 17324 1 905 . 1 1 75 75 ARG N N 15 120.422 0.1 . 1 . . . . 75 ARG N . 17324 1 906 . 1 1 76 76 TYR H H 1 9.286 0.02 . 1 . . . . 76 TYR HN . 17324 1 907 . 1 1 76 76 TYR HA H 1 5.626 0.02 . 1 . . . . 76 TYR HA . 17324 1 908 . 1 1 76 76 TYR HB2 H 1 2.68 0.02 . 2 . . . . 76 TYR HB2 . 17324 1 909 . 1 1 76 76 TYR HB3 H 1 2.83 0.02 . 2 . . . . 76 TYR HB3 . 17324 1 910 . 1 1 76 76 TYR HD1 H 1 7.055 0.02 . 1 . . . . 76 TYR HD# . 17324 1 911 . 1 1 76 76 TYR HD2 H 1 7.055 0.02 . 1 . . . . 76 TYR HD# . 17324 1 912 . 1 1 76 76 TYR HE1 H 1 6.628 0.02 . 1 . . . . 76 TYR HE# . 17324 1 913 . 1 1 76 76 TYR HE2 H 1 6.628 0.02 . 1 . . . . 76 TYR HE# . 17324 1 914 . 1 1 76 76 TYR C C 13 174.859 0.4 . 1 . . . . 76 TYR C . 17324 1 915 . 1 1 76 76 TYR CA C 13 57.678 0.4 . 1 . . . . 76 TYR CA . 17324 1 916 . 1 1 76 76 TYR CB C 13 41.085 0.4 . 1 . . . . 76 TYR CB . 17324 1 917 . 1 1 76 76 TYR CD1 C 13 133.197 0.4 . 1 . . . . 76 TYR CD# . 17324 1 918 . 1 1 76 76 TYR CD2 C 13 133.197 0.4 . 1 . . . . 76 TYR CD# . 17324 1 919 . 1 1 76 76 TYR CE1 C 13 117.286 0.4 . 1 . . . . 76 TYR CE# . 17324 1 920 . 1 1 76 76 TYR CE2 C 13 117.286 0.4 . 1 . . . . 76 TYR CE# . 17324 1 921 . 1 1 76 76 TYR N N 15 120.598 0.1 . 1 . . . . 76 TYR N . 17324 1 922 . 1 1 77 77 SER H H 1 8.613 0.02 . 1 . . . . 77 SER HN . 17324 1 923 . 1 1 77 77 SER HA H 1 4.896 0.02 . 1 . . . . 77 SER HA . 17324 1 924 . 1 1 77 77 SER HB2 H 1 3.904 0.02 . 1 . . . . 77 SER HB# . 17324 1 925 . 1 1 77 77 SER HB3 H 1 3.904 0.02 . 1 . . . . 77 SER HB# . 17324 1 926 . 1 1 77 77 SER C C 13 173.56 0.4 . 1 . . . . 77 SER C . 17324 1 927 . 1 1 77 77 SER CA C 13 57.061 0.4 . 1 . . . . 77 SER CA . 17324 1 928 . 1 1 77 77 SER CB C 13 65.956 0.4 . 1 . . . . 77 SER CB . 17324 1 929 . 1 1 77 77 SER N N 15 112.804 0.1 . 1 . . . . 77 SER N . 17324 1 930 . 1 1 78 78 LEU H H 1 9.498 0.02 . 1 . . . . 78 LEU HN . 17324 1 931 . 1 1 78 78 LEU HA H 1 4.841 0.02 . 1 . . . . 78 LEU HA . 17324 1 932 . 1 1 78 78 LEU HB2 H 1 1.447 0.02 . 2 . . . . 78 LEU HB2 . 17324 1 933 . 1 1 78 78 LEU HB3 H 1 1.623 0.02 . 2 . . . . 78 LEU HB3 . 17324 1 934 . 1 1 78 78 LEU HG H 1 1.944 0.02 . 1 . . . . 78 LEU HG . 17324 1 935 . 1 1 78 78 LEU HD11 H 1 0.756 0.02 . 2 . . . . 78 LEU HD1# . 17324 1 936 . 1 1 78 78 LEU HD12 H 1 0.756 0.02 . 2 . . . . 78 LEU HD1# . 17324 1 937 . 1 1 78 78 LEU HD13 H 1 0.756 0.02 . 2 . . . . 78 LEU HD1# . 17324 1 938 . 1 1 78 78 LEU HD21 H 1 0.881 0.02 . 2 . . . . 78 LEU HD2# . 17324 1 939 . 1 1 78 78 LEU HD22 H 1 0.881 0.02 . 2 . . . . 78 LEU HD2# . 17324 1 940 . 1 1 78 78 LEU HD23 H 1 0.881 0.02 . 2 . . . . 78 LEU HD2# . 17324 1 941 . 1 1 78 78 LEU C C 13 179.011 0.4 . 1 . . . . 78 LEU C . 17324 1 942 . 1 1 78 78 LEU CA C 13 55.363 0.4 . 1 . . . . 78 LEU CA . 17324 1 943 . 1 1 78 78 LEU CB C 13 42.942 0.4 . 1 . . . . 78 LEU CB . 17324 1 944 . 1 1 78 78 LEU CG C 13 27.49 0.4 . 1 . . . . 78 LEU CG . 17324 1 945 . 1 1 78 78 LEU CD1 C 13 25.34 0.4 . 2 . . . . 78 LEU CD1 . 17324 1 946 . 1 1 78 78 LEU CD2 C 13 24.655 0.4 . 2 . . . . 78 LEU CD2 . 17324 1 947 . 1 1 78 78 LEU N N 15 120.882 0.1 . 1 . . . . 78 LEU N . 17324 1 948 . 1 1 79 79 THR H H 1 7.306 0.02 . 1 . . . . 79 THR HN . 17324 1 949 . 1 1 79 79 THR HA H 1 4.552 0.02 . 1 . . . . 79 THR HA . 17324 1 950 . 1 1 79 79 THR HB H 1 4.846 0.02 . 1 . . . . 79 THR HB . 17324 1 951 . 1 1 79 79 THR HG21 H 1 0.998 0.02 . 1 . . . . 79 THR HG2# . 17324 1 952 . 1 1 79 79 THR HG22 H 1 0.998 0.02 . 1 . . . . 79 THR HG2# . 17324 1 953 . 1 1 79 79 THR HG23 H 1 0.998 0.02 . 1 . . . . 79 THR HG2# . 17324 1 954 . 1 1 79 79 THR CA C 13 60.061 0.4 . 1 . . . . 79 THR CA . 17324 1 955 . 1 1 79 79 THR CB C 13 68.204 0.4 . 1 . . . . 79 THR CB . 17324 1 956 . 1 1 79 79 THR CG2 C 13 22.522 0.4 . 1 . . . . 79 THR CG2 . 17324 1 957 . 1 1 79 79 THR N N 15 112.454 0.1 . 1 . . . . 79 THR N . 17324 1 958 . 1 1 80 80 PRO HA H 1 4.179 0.02 . 1 . . . . 80 PRO HA . 17324 1 959 . 1 1 80 80 PRO HB2 H 1 1.961 0.02 . 2 . . . . 80 PRO HB2 . 17324 1 960 . 1 1 80 80 PRO HB3 H 1 2.388 0.02 . 2 . . . . 80 PRO HB3 . 17324 1 961 . 1 1 80 80 PRO HG2 H 1 1.989 0.02 . 2 . . . . 80 PRO HG2 . 17324 1 962 . 1 1 80 80 PRO HG3 H 1 2.256 0.02 . 2 . . . . 80 PRO HG3 . 17324 1 963 . 1 1 80 80 PRO HD2 H 1 3.905 0.02 . 1 . . . . 80 PRO HD# . 17324 1 964 . 1 1 80 80 PRO HD3 H 1 3.905 0.02 . 1 . . . . 80 PRO HD# . 17324 1 965 . 1 1 80 80 PRO C C 13 179.638 0.4 . 1 . . . . 80 PRO C . 17324 1 966 . 1 1 80 80 PRO CA C 13 66.894 0.4 . 1 . . . . 80 PRO CA . 17324 1 967 . 1 1 80 80 PRO CB C 13 31.593 0.4 . 1 . . . . 80 PRO CB . 17324 1 968 . 1 1 80 80 PRO CG C 13 28.457 0.4 . 1 . . . . 80 PRO CG . 17324 1 969 . 1 1 80 80 PRO CD C 13 50.26 0.4 . 1 . . . . 80 PRO CD . 17324 1 970 . 1 1 81 81 GLU H H 1 8.971 0.02 . 1 . . . . 81 GLU HN . 17324 1 971 . 1 1 81 81 GLU HA H 1 4.085 0.02 . 1 . . . . 81 GLU HA . 17324 1 972 . 1 1 81 81 GLU HB2 H 1 1.853 0.02 . 2 . . . . 81 GLU HB2 . 17324 1 973 . 1 1 81 81 GLU HB3 H 1 2.087 0.02 . 2 . . . . 81 GLU HB3 . 17324 1 974 . 1 1 81 81 GLU HG2 H 1 2.314 0.02 . 2 . . . . 81 GLU HG2 . 17324 1 975 . 1 1 81 81 GLU HG3 H 1 2.406 0.02 . 2 . . . . 81 GLU HG3 . 17324 1 976 . 1 1 81 81 GLU C C 13 180.24 0.4 . 1 . . . . 81 GLU C . 17324 1 977 . 1 1 81 81 GLU CA C 13 60.296 0.4 . 1 . . . . 81 GLU CA . 17324 1 978 . 1 1 81 81 GLU CB C 13 29.567 0.4 . 1 . . . . 81 GLU CB . 17324 1 979 . 1 1 81 81 GLU CG C 13 37.454 0.4 . 1 . . . . 81 GLU CG . 17324 1 980 . 1 1 81 81 GLU N N 15 118.331 0.1 . 1 . . . . 81 GLU N . 17324 1 981 . 1 1 82 82 GLY H H 1 8.292 0.02 . 1 . . . . 82 GLY HN . 17324 1 982 . 1 1 82 82 GLY HA2 H 1 3.71 0.02 . 1 . . . . 82 GLY HA2 . 17324 1 983 . 1 1 82 82 GLY HA3 H 1 4.639 0.02 . 1 . . . . 82 GLY HA3 . 17324 1 984 . 1 1 82 82 GLY C C 13 175.2 0.4 . 1 . . . . 82 GLY C . 17324 1 985 . 1 1 82 82 GLY CA C 13 48.186 0.4 . 1 . . . . 82 GLY CA . 17324 1 986 . 1 1 82 82 GLY N N 15 111.501 0.1 . 1 . . . . 82 GLY N . 17324 1 987 . 1 1 83 83 LEU H H 1 8.907 0.02 . 1 . . . . 83 LEU HN . 17324 1 988 . 1 1 83 83 LEU HA H 1 3.916 0.02 . 1 . . . . 83 LEU HA . 17324 1 989 . 1 1 83 83 LEU HB2 H 1 1.445 0.02 . 2 . . . . 83 LEU HB2 . 17324 1 990 . 1 1 83 83 LEU HB3 H 1 1.711 0.02 . 2 . . . . 83 LEU HB3 . 17324 1 991 . 1 1 83 83 LEU HG H 1 1.437 0.02 . 1 . . . . 83 LEU HG . 17324 1 992 . 1 1 83 83 LEU HD11 H 1 0.606 0.02 . 2 . . . . 83 LEU HD1# . 17324 1 993 . 1 1 83 83 LEU HD12 H 1 0.606 0.02 . 2 . . . . 83 LEU HD1# . 17324 1 994 . 1 1 83 83 LEU HD13 H 1 0.606 0.02 . 2 . . . . 83 LEU HD1# . 17324 1 995 . 1 1 83 83 LEU HD21 H 1 0.616 0.02 . 2 . . . . 83 LEU HD2# . 17324 1 996 . 1 1 83 83 LEU HD22 H 1 0.616 0.02 . 2 . . . . 83 LEU HD2# . 17324 1 997 . 1 1 83 83 LEU HD23 H 1 0.616 0.02 . 2 . . . . 83 LEU HD2# . 17324 1 998 . 1 1 83 83 LEU C C 13 178.524 0.4 . 1 . . . . 83 LEU C . 17324 1 999 . 1 1 83 83 LEU CA C 13 58.449 0.4 . 1 . . . . 83 LEU CA . 17324 1 1000 . 1 1 83 83 LEU CB C 13 41.842 0.4 . 1 . . . . 83 LEU CB . 17324 1 1001 . 1 1 83 83 LEU CG C 13 27.078 0.4 . 1 . . . . 83 LEU CG . 17324 1 1002 . 1 1 83 83 LEU CD1 C 13 24.136 0.4 . 2 . . . . 83 LEU CD1 . 17324 1 1003 . 1 1 83 83 LEU CD2 C 13 24.832 0.4 . 2 . . . . 83 LEU CD2 . 17324 1 1004 . 1 1 83 83 LEU N N 15 123.737 0.1 . 1 . . . . 83 LEU N . 17324 1 1005 . 1 1 84 84 GLU H H 1 7.682 0.02 . 1 . . . . 84 GLU HN . 17324 1 1006 . 1 1 84 84 GLU HA H 1 3.976 0.02 . 1 . . . . 84 GLU HA . 17324 1 1007 . 1 1 84 84 GLU HB2 H 1 2.089 0.02 . 1 . . . . 84 GLU HB# . 17324 1 1008 . 1 1 84 84 GLU HB3 H 1 2.089 0.02 . 1 . . . . 84 GLU HB# . 17324 1 1009 . 1 1 84 84 GLU HG2 H 1 2.192 0.02 . 2 . . . . 84 GLU HG2 . 17324 1 1010 . 1 1 84 84 GLU HG3 H 1 2.386 0.02 . 2 . . . . 84 GLU HG3 . 17324 1 1011 . 1 1 84 84 GLU C C 13 179.139 0.4 . 1 . . . . 84 GLU C . 17324 1 1012 . 1 1 84 84 GLU CA C 13 59.52 0.4 . 1 . . . . 84 GLU CA . 17324 1 1013 . 1 1 84 84 GLU CB C 13 29.625 0.4 . 1 . . . . 84 GLU CB . 17324 1 1014 . 1 1 84 84 GLU CG C 13 36.492 0.4 . 1 . . . . 84 GLU CG . 17324 1 1015 . 1 1 84 84 GLU N N 15 118.89 0.1 . 1 . . . . 84 GLU N . 17324 1 1016 . 1 1 85 85 LEU H H 1 7.611 0.02 . 1 . . . . 85 LEU HN . 17324 1 1017 . 1 1 85 85 LEU HA H 1 4.262 0.02 . 1 . . . . 85 LEU HA . 17324 1 1018 . 1 1 85 85 LEU HB2 H 1 1.711 0.02 . 2 . . . . 85 LEU HB2 . 17324 1 1019 . 1 1 85 85 LEU HB3 H 1 1.854 0.02 . 2 . . . . 85 LEU HB3 . 17324 1 1020 . 1 1 85 85 LEU HG H 1 1.357 0.02 . 1 . . . . 85 LEU HG . 17324 1 1021 . 1 1 85 85 LEU HD11 H 1 0.927 0.02 . 2 . . . . 85 LEU HD1# . 17324 1 1022 . 1 1 85 85 LEU HD12 H 1 0.927 0.02 . 2 . . . . 85 LEU HD1# . 17324 1 1023 . 1 1 85 85 LEU HD13 H 1 0.927 0.02 . 2 . . . . 85 LEU HD1# . 17324 1 1024 . 1 1 85 85 LEU HD21 H 1 1.115 0.02 . 2 . . . . 85 LEU HD2# . 17324 1 1025 . 1 1 85 85 LEU HD22 H 1 1.115 0.02 . 2 . . . . 85 LEU HD2# . 17324 1 1026 . 1 1 85 85 LEU HD23 H 1 1.115 0.02 . 2 . . . . 85 LEU HD2# . 17324 1 1027 . 1 1 85 85 LEU C C 13 178.299 0.4 . 1 . . . . 85 LEU C . 17324 1 1028 . 1 1 85 85 LEU CA C 13 57.851 0.4 . 1 . . . . 85 LEU CA . 17324 1 1029 . 1 1 85 85 LEU CB C 13 41.815 0.4 . 1 . . . . 85 LEU CB . 17324 1 1030 . 1 1 85 85 LEU CG C 13 27.702 0.4 . 1 . . . . 85 LEU CG . 17324 1 1031 . 1 1 85 85 LEU CD1 C 13 27.931 0.4 . 2 . . . . 85 LEU CD1 . 17324 1 1032 . 1 1 85 85 LEU CD2 C 13 23.118 0.4 . 2 . . . . 85 LEU CD2 . 17324 1 1033 . 1 1 85 85 LEU N N 15 119.369 0.1 . 1 . . . . 85 LEU N . 17324 1 1034 . 1 1 86 86 ALA H H 1 8.99 0.02 . 1 . . . . 86 ALA HN . 17324 1 1035 . 1 1 86 86 ALA HA H 1 3.558 0.02 . 1 . . . . 86 ALA HA . 17324 1 1036 . 1 1 86 86 ALA HB1 H 1 1.146 0.02 . 1 . . . . 86 ALA HB# . 17324 1 1037 . 1 1 86 86 ALA HB2 H 1 1.146 0.02 . 1 . . . . 86 ALA HB# . 17324 1 1038 . 1 1 86 86 ALA HB3 H 1 1.146 0.02 . 1 . . . . 86 ALA HB# . 17324 1 1039 . 1 1 86 86 ALA C C 13 178.256 0.4 . 1 . . . . 86 ALA C . 17324 1 1040 . 1 1 86 86 ALA CA C 13 55.676 0.4 . 1 . . . . 86 ALA CA . 17324 1 1041 . 1 1 86 86 ALA CB C 13 18.94 0.4 . 1 . . . . 86 ALA CB . 17324 1 1042 . 1 1 86 86 ALA N N 15 121.268 0.1 . 1 . . . . 86 ALA N . 17324 1 1043 . 1 1 87 87 GLN H H 1 7.866 0.02 . 1 . . . . 87 GLN HN . 17324 1 1044 . 1 1 87 87 GLN HA H 1 3.375 0.02 . 1 . . . . 87 GLN HA . 17324 1 1045 . 1 1 87 87 GLN HB2 H 1 2.025 0.02 . 2 . . . . 87 GLN HB2 . 17324 1 1046 . 1 1 87 87 GLN HB3 H 1 2.089 0.02 . 2 . . . . 87 GLN HB3 . 17324 1 1047 . 1 1 87 87 GLN HG2 H 1 2.328 0.02 . 2 . . . . 87 GLN HG2 . 17324 1 1048 . 1 1 87 87 GLN HG3 H 1 2.428 0.02 . 2 . . . . 87 GLN HG3 . 17324 1 1049 . 1 1 87 87 GLN HE21 H 1 6.831 0.02 . 2 . . . . 87 GLN HE21 . 17324 1 1050 . 1 1 87 87 GLN HE22 H 1 7.576 0.02 . 2 . . . . 87 GLN HE22 . 17324 1 1051 . 1 1 87 87 GLN C C 13 178.54 0.4 . 1 . . . . 87 GLN C . 17324 1 1052 . 1 1 87 87 GLN CA C 13 59.388 0.4 . 1 . . . . 87 GLN CA . 17324 1 1053 . 1 1 87 87 GLN CB C 13 28.09 0.4 . 1 . . . . 87 GLN CB . 17324 1 1054 . 1 1 87 87 GLN CG C 13 33.734 0.4 . 1 . . . . 87 GLN CG . 17324 1 1055 . 1 1 87 87 GLN N N 15 115.754 0.1 . 1 . . . . 87 GLN N . 17324 1 1056 . 1 1 87 87 GLN NE2 N 15 111.792 0.1 . 1 . . . . 87 GLN NE2 . 17324 1 1057 . 1 1 88 88 LYS H H 1 7.348 0.02 . 1 . . . . 88 LYS HN . 17324 1 1058 . 1 1 88 88 LYS HA H 1 4.165 0.02 . 1 . . . . 88 LYS HA . 17324 1 1059 . 1 1 88 88 LYS HB2 H 1 2.155 0.02 . 2 . . . . 88 LYS HB2 . 17324 1 1060 . 1 1 88 88 LYS HB3 H 1 2.274 0.02 . 2 . . . . 88 LYS HB3 . 17324 1 1061 . 1 1 88 88 LYS HG2 H 1 1.625 0.02 . 2 . . . . 88 LYS HG2 . 17324 1 1062 . 1 1 88 88 LYS HG3 H 1 1.812 0.02 . 2 . . . . 88 LYS HG3 . 17324 1 1063 . 1 1 88 88 LYS HD2 H 1 1.786 0.02 . 1 . . . . 88 LYS HD# . 17324 1 1064 . 1 1 88 88 LYS HD3 H 1 1.786 0.02 . 1 . . . . 88 LYS HD# . 17324 1 1065 . 1 1 88 88 LYS HE2 H 1 2.974 0.02 . 1 . . . . 88 LYS HE# . 17324 1 1066 . 1 1 88 88 LYS HE3 H 1 2.974 0.02 . 1 . . . . 88 LYS HE# . 17324 1 1067 . 1 1 88 88 LYS C C 13 180.95 0.4 . 1 . . . . 88 LYS C . 17324 1 1068 . 1 1 88 88 LYS CA C 13 59.327 0.4 . 1 . . . . 88 LYS CA . 17324 1 1069 . 1 1 88 88 LYS CB C 13 32.853 0.4 . 1 . . . . 88 LYS CB . 17324 1 1070 . 1 1 88 88 LYS CG C 13 25.621 0.4 . 1 . . . . 88 LYS CG . 17324 1 1071 . 1 1 88 88 LYS CD C 13 29.266 0.4 . 1 . . . . 88 LYS CD . 17324 1 1072 . 1 1 88 88 LYS CE C 13 42.144 0.4 . 1 . . . . 88 LYS CE . 17324 1 1073 . 1 1 88 88 LYS N N 15 119.144 0.1 . 1 . . . . 88 LYS N . 17324 1 1074 . 1 1 89 89 LEU H H 1 8.649 0.02 . 1 . . . . 89 LEU HN . 17324 1 1075 . 1 1 89 89 LEU HA H 1 3.806 0.02 . 1 . . . . 89 LEU HA . 17324 1 1076 . 1 1 89 89 LEU HB2 H 1 0.787 0.02 . 2 . . . . 89 LEU HB2 . 17324 1 1077 . 1 1 89 89 LEU HB3 H 1 1.773 0.02 . 2 . . . . 89 LEU HB3 . 17324 1 1078 . 1 1 89 89 LEU HG H 1 1.295 0.02 . 1 . . . . 89 LEU HG . 17324 1 1079 . 1 1 89 89 LEU HD11 H 1 -0.447 0.02 . 2 . . . . 89 LEU HD1# . 17324 1 1080 . 1 1 89 89 LEU HD12 H 1 -0.447 0.02 . 2 . . . . 89 LEU HD1# . 17324 1 1081 . 1 1 89 89 LEU HD13 H 1 -0.447 0.02 . 2 . . . . 89 LEU HD1# . 17324 1 1082 . 1 1 89 89 LEU HD21 H 1 0.382 0.02 . 2 . . . . 89 LEU HD2# . 17324 1 1083 . 1 1 89 89 LEU HD22 H 1 0.382 0.02 . 2 . . . . 89 LEU HD2# . 17324 1 1084 . 1 1 89 89 LEU HD23 H 1 0.382 0.02 . 2 . . . . 89 LEU HD2# . 17324 1 1085 . 1 1 89 89 LEU C C 13 179.379 0.4 . 1 . . . . 89 LEU C . 17324 1 1086 . 1 1 89 89 LEU CA C 13 57.619 0.4 . 1 . . . . 89 LEU CA . 17324 1 1087 . 1 1 89 89 LEU CB C 13 42.35 0.4 . 1 . . . . 89 LEU CB . 17324 1 1088 . 1 1 89 89 LEU CG C 13 25.856 0.4 . 1 . . . . 89 LEU CG . 17324 1 1089 . 1 1 89 89 LEU CD1 C 13 21.176 0.4 . 2 . . . . 89 LEU CD1 . 17324 1 1090 . 1 1 89 89 LEU CD2 C 13 27.851 0.4 . 2 . . . . 89 LEU CD2 . 17324 1 1091 . 1 1 89 89 LEU N N 15 122.67 0.1 . 1 . . . . 89 LEU N . 17324 1 1092 . 1 1 90 90 ALA H H 1 8.719 0.02 . 1 . . . . 90 ALA HN . 17324 1 1093 . 1 1 90 90 ALA HA H 1 3.801 0.02 . 1 . . . . 90 ALA HA . 17324 1 1094 . 1 1 90 90 ALA HB1 H 1 1.398 0.02 . 1 . . . . 90 ALA HB# . 17324 1 1095 . 1 1 90 90 ALA HB2 H 1 1.398 0.02 . 1 . . . . 90 ALA HB# . 17324 1 1096 . 1 1 90 90 ALA HB3 H 1 1.398 0.02 . 1 . . . . 90 ALA HB# . 17324 1 1097 . 1 1 90 90 ALA C C 13 180.589 0.4 . 1 . . . . 90 ALA C . 17324 1 1098 . 1 1 90 90 ALA CA C 13 55.473 0.4 . 1 . . . . 90 ALA CA . 17324 1 1099 . 1 1 90 90 ALA CB C 13 18.244 0.4 . 1 . . . . 90 ALA CB . 17324 1 1100 . 1 1 90 90 ALA N N 15 123.29 0.1 . 1 . . . . 90 ALA N . 17324 1 1101 . 1 1 91 91 GLU H H 1 8.158 0.02 . 1 . . . . 91 GLU HN . 17324 1 1102 . 1 1 91 91 GLU HA H 1 4.107 0.02 . 1 . . . . 91 GLU HA . 17324 1 1103 . 1 1 91 91 GLU HB2 H 1 2.146 0.02 . 1 . . . . 91 GLU HB# . 17324 1 1104 . 1 1 91 91 GLU HB3 H 1 2.146 0.02 . 1 . . . . 91 GLU HB# . 17324 1 1105 . 1 1 91 91 GLU HG2 H 1 2.282 0.02 . 2 . . . . 91 GLU HG2 . 17324 1 1106 . 1 1 91 91 GLU HG3 H 1 2.518 0.02 . 2 . . . . 91 GLU HG3 . 17324 1 1107 . 1 1 91 91 GLU C C 13 179.853 0.4 . 1 . . . . 91 GLU C . 17324 1 1108 . 1 1 91 91 GLU CA C 13 59.185 0.4 . 1 . . . . 91 GLU CA . 17324 1 1109 . 1 1 91 91 GLU CB C 13 29.568 0.4 . 1 . . . . 91 GLU CB . 17324 1 1110 . 1 1 91 91 GLU CG C 13 36.667 0.4 . 1 . . . . 91 GLU CG . 17324 1 1111 . 1 1 91 91 GLU N N 15 118.679 0.1 . 1 . . . . 91 GLU N . 17324 1 1112 . 1 1 92 92 SER H H 1 8.014 0.02 . 1 . . . . 92 SER HN . 17324 1 1113 . 1 1 92 92 SER HA H 1 4.383 0.02 . 1 . . . . 92 SER HA . 17324 1 1114 . 1 1 92 92 SER HB2 H 1 4.294 0.02 . 1 . . . . 92 SER HB# . 17324 1 1115 . 1 1 92 92 SER HB3 H 1 4.294 0.02 . 1 . . . . 92 SER HB# . 17324 1 1116 . 1 1 92 92 SER C C 13 176.339 0.4 . 1 . . . . 92 SER C . 17324 1 1117 . 1 1 92 92 SER CA C 13 61.131 0.4 . 1 . . . . 92 SER CA . 17324 1 1118 . 1 1 92 92 SER CB C 13 63.419 0.4 . 1 . . . . 92 SER CB . 17324 1 1119 . 1 1 92 92 SER N N 15 115.658 0.1 . 1 . . . . 92 SER N . 17324 1 1120 . 1 1 93 93 GLU H H 1 7.735 0.02 . 1 . . . . 93 GLU HN . 17324 1 1121 . 1 1 93 93 GLU HA H 1 4.299 0.02 . 1 . . . . 93 GLU HA . 17324 1 1122 . 1 1 93 93 GLU HB2 H 1 1.895 0.02 . 2 . . . . 93 GLU HB2 . 17324 1 1123 . 1 1 93 93 GLU HB3 H 1 2.248 0.02 . 2 . . . . 93 GLU HB3 . 17324 1 1124 . 1 1 93 93 GLU HG2 H 1 2.13 0.02 . 2 . . . . 93 GLU HG2 . 17324 1 1125 . 1 1 93 93 GLU HG3 H 1 2.286 0.02 . 2 . . . . 93 GLU HG3 . 17324 1 1126 . 1 1 93 93 GLU C C 13 177.272 0.4 . 1 . . . . 93 GLU C . 17324 1 1127 . 1 1 93 93 GLU CA C 13 57.256 0.4 . 1 . . . . 93 GLU CA . 17324 1 1128 . 1 1 93 93 GLU CB C 13 30.341 0.4 . 1 . . . . 93 GLU CB . 17324 1 1129 . 1 1 93 93 GLU CG C 13 36.467 0.4 . 1 . . . . 93 GLU CG . 17324 1 1130 . 1 1 93 93 GLU N N 15 119.684 0.1 . 1 . . . . 93 GLU N . 17324 1 1131 . 1 1 94 94 GLY H H 1 7.893 0.02 . 1 . . . . 94 GLY HN . 17324 1 1132 . 1 1 94 94 GLY HA2 H 1 3.892 0.02 . 1 . . . . 94 GLY HA2 . 17324 1 1133 . 1 1 94 94 GLY HA3 H 1 4.043 0.02 . 1 . . . . 94 GLY HA3 . 17324 1 1134 . 1 1 94 94 GLY C C 13 175.072 0.4 . 1 . . . . 94 GLY C . 17324 1 1135 . 1 1 94 94 GLY CA C 13 46.094 0.4 . 1 . . . . 94 GLY CA . 17324 1 1136 . 1 1 94 94 GLY N N 15 108.354 0.1 . 1 . . . . 94 GLY N . 17324 1 1137 . 1 1 95 95 LEU H H 1 7.991 0.02 . 1 . . . . 95 LEU HN . 17324 1 1138 . 1 1 95 95 LEU HA H 1 4.33 0.02 . 1 . . . . 95 LEU HA . 17324 1 1139 . 1 1 95 95 LEU HB2 H 1 1.624 0.02 . 1 . . . . 95 LEU HB# . 17324 1 1140 . 1 1 95 95 LEU HB3 H 1 1.624 0.02 . 1 . . . . 95 LEU HB# . 17324 1 1141 . 1 1 95 95 LEU HD11 H 1 0.892 0.02 . 2 . . . . 95 LEU HD1# . 17324 1 1142 . 1 1 95 95 LEU HD12 H 1 0.892 0.02 . 2 . . . . 95 LEU HD1# . 17324 1 1143 . 1 1 95 95 LEU HD13 H 1 0.892 0.02 . 2 . . . . 95 LEU HD1# . 17324 1 1144 . 1 1 95 95 LEU HD21 H 1 0.928 0.02 . 2 . . . . 95 LEU HD2# . 17324 1 1145 . 1 1 95 95 LEU HD22 H 1 0.928 0.02 . 2 . . . . 95 LEU HD2# . 17324 1 1146 . 1 1 95 95 LEU HD23 H 1 0.928 0.02 . 2 . . . . 95 LEU HD2# . 17324 1 1147 . 1 1 95 95 LEU C C 13 177.445 0.4 . 1 . . . . 95 LEU C . 17324 1 1148 . 1 1 95 95 LEU CA C 13 55.421 0.4 . 1 . . . . 95 LEU CA . 17324 1 1149 . 1 1 95 95 LEU CB C 13 42.469 0.4 . 1 . . . . 95 LEU CB . 17324 1 1150 . 1 1 95 95 LEU CD1 C 13 25.535 0.4 . 2 . . . . 95 LEU CD1 . 17324 1 1151 . 1 1 95 95 LEU CD2 C 13 25.362 0.4 . 2 . . . . 95 LEU CD2 . 17324 1 1152 . 1 1 95 95 LEU N N 15 121.009 0.1 . 1 . . . . 95 LEU N . 17324 1 1153 . 1 1 96 96 SER H H 1 8.34 0.02 . 1 . . . . 96 SER HN . 17324 1 1154 . 1 1 96 96 SER HA H 1 4.458 0.02 . 1 . . . . 96 SER HA . 17324 1 1155 . 1 1 96 96 SER HB2 H 1 3.871 0.02 . 1 . . . . 96 SER HB# . 17324 1 1156 . 1 1 96 96 SER HB3 H 1 3.871 0.02 . 1 . . . . 96 SER HB# . 17324 1 1157 . 1 1 96 96 SER C C 13 175.071 0.4 . 1 . . . . 96 SER C . 17324 1 1158 . 1 1 96 96 SER CA C 13 58.366 0.4 . 1 . . . . 96 SER CA . 17324 1 1159 . 1 1 96 96 SER CB C 13 63.901 0.4 . 1 . . . . 96 SER CB . 17324 1 1160 . 1 1 96 96 SER N N 15 116.965 0.1 . 1 . . . . 96 SER N . 17324 1 1161 . 1 1 97 97 LEU H H 1 8.287 0.02 . 1 . . . . 97 LEU HN . 17324 1 1162 . 1 1 97 97 LEU HA H 1 4.32 0.02 . 1 . . . . 97 LEU HA . 17324 1 1163 . 1 1 97 97 LEU HB2 H 1 1.604 0.02 . 1 . . . . 97 LEU HB# . 17324 1 1164 . 1 1 97 97 LEU HB3 H 1 1.604 0.02 . 1 . . . . 97 LEU HB# . 17324 1 1165 . 1 1 97 97 LEU HD11 H 1 0.878 0.02 . 2 . . . . 97 LEU HD1# . 17324 1 1166 . 1 1 97 97 LEU HD12 H 1 0.878 0.02 . 2 . . . . 97 LEU HD1# . 17324 1 1167 . 1 1 97 97 LEU HD13 H 1 0.878 0.02 . 2 . . . . 97 LEU HD1# . 17324 1 1168 . 1 1 97 97 LEU HD21 H 1 0.901 0.02 . 2 . . . . 97 LEU HD2# . 17324 1 1169 . 1 1 97 97 LEU HD22 H 1 0.901 0.02 . 2 . . . . 97 LEU HD2# . 17324 1 1170 . 1 1 97 97 LEU HD23 H 1 0.901 0.02 . 2 . . . . 97 LEU HD2# . 17324 1 1171 . 1 1 97 97 LEU C C 13 177.317 0.4 . 1 . . . . 97 LEU C . 17324 1 1172 . 1 1 97 97 LEU CA C 13 55.428 0.4 . 1 . . . . 97 LEU CA . 17324 1 1173 . 1 1 97 97 LEU CB C 13 42.155 0.4 . 1 . . . . 97 LEU CB . 17324 1 1174 . 1 1 97 97 LEU CD1 C 13 23.62 0.4 . 2 . . . . 97 LEU CD1 . 17324 1 1175 . 1 1 97 97 LEU CD2 C 13 25.536 0.4 . 2 . . . . 97 LEU CD2 . 17324 1 1176 . 1 1 97 97 LEU N N 15 123.829 0.1 . 1 . . . . 97 LEU N . 17324 1 1177 . 1 1 98 98 LEU H H 1 7.902 0.02 . 1 . . . . 98 LEU HN . 17324 1 1178 . 1 1 98 98 LEU HA H 1 4.261 0.02 . 1 . . . . 98 LEU HA . 17324 1 1179 . 1 1 98 98 LEU HB2 H 1 1.597 0.02 . 1 . . . . 98 LEU HB# . 17324 1 1180 . 1 1 98 98 LEU HB3 H 1 1.597 0.02 . 1 . . . . 98 LEU HB# . 17324 1 1181 . 1 1 98 98 LEU HG H 1 1.374 0.02 . 1 . . . . 98 LEU HG . 17324 1 1182 . 1 1 98 98 LEU HD11 H 1 0.831 0.02 . 2 . . . . 98 LEU HD1# . 17324 1 1183 . 1 1 98 98 LEU HD12 H 1 0.831 0.02 . 2 . . . . 98 LEU HD1# . 17324 1 1184 . 1 1 98 98 LEU HD13 H 1 0.831 0.02 . 2 . . . . 98 LEU HD1# . 17324 1 1185 . 1 1 98 98 LEU HD21 H 1 0.891 0.02 . 2 . . . . 98 LEU HD2# . 17324 1 1186 . 1 1 98 98 LEU HD22 H 1 0.891 0.02 . 2 . . . . 98 LEU HD2# . 17324 1 1187 . 1 1 98 98 LEU HD23 H 1 0.891 0.02 . 2 . . . . 98 LEU HD2# . 17324 1 1188 . 1 1 98 98 LEU C C 13 177.204 0.4 . 1 . . . . 98 LEU C . 17324 1 1189 . 1 1 98 98 LEU CA C 13 55.507 0.4 . 1 . . . . 98 LEU CA . 17324 1 1190 . 1 1 98 98 LEU CB C 13 42.465 0.4 . 1 . . . . 98 LEU CB . 17324 1 1191 . 1 1 98 98 LEU CG C 13 27.12 0.4 . 1 . . . . 98 LEU CG . 17324 1 1192 . 1 1 98 98 LEU CD1 C 13 23.665 0.4 . 2 . . . . 98 LEU CD1 . 17324 1 1193 . 1 1 98 98 LEU CD2 C 13 25.029 0.4 . 2 . . . . 98 LEU CD2 . 17324 1 1194 . 1 1 98 98 LEU N N 15 120.316 0.1 . 1 . . . . 98 LEU N . 17324 1 1195 . 1 1 99 99 ASN H H 1 8.264 0.02 . 1 . . . . 99 ASN HN . 17324 1 1196 . 1 1 99 99 ASN HA H 1 4.703 0.02 . 1 . . . . 99 ASN HA . 17324 1 1197 . 1 1 99 99 ASN HB2 H 1 2.733 0.02 . 2 . . . . 99 ASN HB2 . 17324 1 1198 . 1 1 99 99 ASN HB3 H 1 2.838 0.02 . 2 . . . . 99 ASN HB3 . 17324 1 1199 . 1 1 99 99 ASN HD21 H 1 7.17 0.02 . 2 . . . . 99 ASN HD21 . 17324 1 1200 . 1 1 99 99 ASN HD22 H 1 7.568 0.02 . 2 . . . . 99 ASN HD22 . 17324 1 1201 . 1 1 99 99 ASN C C 13 175.236 0.4 . 1 . . . . 99 ASN C . 17324 1 1202 . 1 1 99 99 ASN CA C 13 53.234 0.4 . 1 . . . . 99 ASN CA . 17324 1 1203 . 1 1 99 99 ASN CB C 13 38.736 0.4 . 1 . . . . 99 ASN CB . 17324 1 1204 . 1 1 99 99 ASN N N 15 118.71 0.1 . 1 . . . . 99 ASN N . 17324 1 1205 . 1 1 99 99 ASN ND2 N 15 112.68 0.1 . 1 . . . . 99 ASN ND2 . 17324 1 1206 . 1 1 100 100 VAL H H 1 7.921 0.02 . 1 . . . . 100 VAL HN . 17324 1 1207 . 1 1 100 100 VAL HA H 1 4.119 0.02 . 1 . . . . 100 VAL HA . 17324 1 1208 . 1 1 100 100 VAL HB H 1 2.122 0.02 . 1 . . . . 100 VAL HB . 17324 1 1209 . 1 1 100 100 VAL HG11 H 1 0.909 0.02 . 2 . . . . 100 VAL HG1# . 17324 1 1210 . 1 1 100 100 VAL HG12 H 1 0.909 0.02 . 2 . . . . 100 VAL HG1# . 17324 1 1211 . 1 1 100 100 VAL HG13 H 1 0.909 0.02 . 2 . . . . 100 VAL HG1# . 17324 1 1212 . 1 1 100 100 VAL HG21 H 1 0.91 0.02 . 2 . . . . 100 VAL HG2# . 17324 1 1213 . 1 1 100 100 VAL HG22 H 1 0.91 0.02 . 2 . . . . 100 VAL HG2# . 17324 1 1214 . 1 1 100 100 VAL HG23 H 1 0.91 0.02 . 2 . . . . 100 VAL HG2# . 17324 1 1215 . 1 1 100 100 VAL C C 13 176.604 0.4 . 1 . . . . 100 VAL C . 17324 1 1216 . 1 1 100 100 VAL CA C 13 62.487 0.4 . 1 . . . . 100 VAL CA . 17324 1 1217 . 1 1 100 100 VAL CB C 13 32.665 0.4 . 1 . . . . 100 VAL CB . 17324 1 1218 . 1 1 100 100 VAL CG1 C 13 20.515 0.4 . 2 . . . . 100 VAL CG1 . 17324 1 1219 . 1 1 100 100 VAL CG2 C 13 21.346 0.4 . 2 . . . . 100 VAL CG2 . 17324 1 1220 . 1 1 100 100 VAL N N 15 119.241 0.1 . 1 . . . . 100 VAL N . 17324 1 1221 . 1 1 101 101 GLY H H 1 8.413 0.02 . 1 . . . . 101 GLY HN . 17324 1 1222 . 1 1 101 101 GLY HA2 H 1 3.932 0.02 . 1 . . . . 101 GLY HA# . 17324 1 1223 . 1 1 101 101 GLY HA3 H 1 3.932 0.02 . 1 . . . . 101 GLY HA# . 17324 1 1224 . 1 1 101 101 GLY C C 13 174.045 0.4 . 1 . . . . 101 GLY C . 17324 1 1225 . 1 1 101 101 GLY CA C 13 45.288 0.4 . 1 . . . . 101 GLY CA . 17324 1 1226 . 1 1 101 101 GLY N N 15 112.021 0.1 . 1 . . . . 101 GLY N . 17324 1 1227 . 1 1 102 102 ILE H H 1 7.895 0.02 . 1 . . . . 102 ILE HN . 17324 1 1228 . 1 1 102 102 ILE HA H 1 4.222 0.02 . 1 . . . . 102 ILE HA . 17324 1 1229 . 1 1 102 102 ILE HB H 1 1.872 0.02 . 1 . . . . 102 ILE HB . 17324 1 1230 . 1 1 102 102 ILE HG12 H 1 1.11 0.02 . 2 . . . . 102 ILE HG12 . 17324 1 1231 . 1 1 102 102 ILE HG13 H 1 1.409 0.02 . 2 . . . . 102 ILE HG13 . 17324 1 1232 . 1 1 102 102 ILE HG21 H 1 0.882 0.02 . 1 . . . . 102 ILE HG2# . 17324 1 1233 . 1 1 102 102 ILE HG22 H 1 0.882 0.02 . 1 . . . . 102 ILE HG2# . 17324 1 1234 . 1 1 102 102 ILE HG23 H 1 0.882 0.02 . 1 . . . . 102 ILE HG2# . 17324 1 1235 . 1 1 102 102 ILE HD11 H 1 0.826 0.02 . 1 . . . . 102 ILE HD1# . 17324 1 1236 . 1 1 102 102 ILE HD12 H 1 0.826 0.02 . 1 . . . . 102 ILE HD1# . 17324 1 1237 . 1 1 102 102 ILE HD13 H 1 0.826 0.02 . 1 . . . . 102 ILE HD1# . 17324 1 1238 . 1 1 102 102 ILE C C 13 175.843 0.4 . 1 . . . . 102 ILE C . 17324 1 1239 . 1 1 102 102 ILE CA C 13 61.074 0.4 . 1 . . . . 102 ILE CA . 17324 1 1240 . 1 1 102 102 ILE CB C 13 39.117 0.4 . 1 . . . . 102 ILE CB . 17324 1 1241 . 1 1 102 102 ILE CG1 C 13 27.107 0.4 . 1 . . . . 102 ILE CG1 . 17324 1 1242 . 1 1 102 102 ILE CG2 C 13 17.698 0.4 . 1 . . . . 102 ILE CG2 . 17324 1 1243 . 1 1 102 102 ILE CD1 C 13 13.254 0.4 . 1 . . . . 102 ILE CD1 . 17324 1 1244 . 1 1 102 102 ILE N N 15 119.497 0.1 . 1 . . . . 102 ILE N . 17324 1 1245 . 1 1 103 103 GLY H H 1 8.038 0.02 . 1 . . . . 103 GLY HN . 17324 1 1246 . 1 1 103 103 GLY HA2 H 1 3.728 0.02 . 1 . . . . 103 GLY HA# . 17324 1 1247 . 1 1 103 103 GLY HA3 H 1 3.728 0.02 . 1 . . . . 103 GLY HA# . 17324 1 1248 . 1 1 103 103 GLY CA C 13 46.108 0.4 . 1 . . . . 103 GLY CA . 17324 1 1249 . 1 1 103 103 GLY N N 15 118.913 0.1 . 1 . . . . 103 GLY N . 17324 1 stop_ save_