data_5824 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5824 _Entry.Title ; Sequence-specific 1H, 13C and 15N resonance assignments of the C-terminal domain of KaiA, a circadian clock protein (oxidized form) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-06-08 _Entry.Accession_date 2003-06-09 _Entry.Last_release_date 2004-02-13 _Entry.Original_release_date 2004-02-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Ioannis Vakonakis . . . 5824 2 Andy LiWang . C. . 5824 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5824 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 789 5824 '13C chemical shifts' 392 5824 '15N chemical shifts' 99 5824 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 . . 2004-02-13 2003-06-08 original author . 5824 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 5825 'reduced form' 5824 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5824 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 14872133 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Sequence-specific 1H, 13C and 15N resonance assignments of the C-terminal domain of KaiA, a circadian clock protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 28 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 403 _Citation.Page_last 404 _Citation.Year 2004 _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 Ioannis Vakonakis . . . 5824 1 2 Andy LiWang . C. . 5824 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID assignment 5824 1 'circadian clock' 5824 1 KaiA 5824 1 'Thermosynechococcus elongatus' 5824 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_ThKaiA180C _Assembly.Sf_category assembly _Assembly.Sf_framecode system_ThKaiA180C _Assembly.Entry_ID 5824 _Assembly.ID 1 _Assembly.Name 'KaiA C-terminal domain' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID dimer 5824 1 stop_ 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 'ThKaiA180C subunit 1' 1 $ThKaiA180C_monomer . . . native . . 1 . . 5824 1 2 'ThKaiA180C subunit 2' 1 $ThKaiA180C_monomer . . . native . . 1 . . 5824 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 96 96 SG . 2 . 1 CYS 96 96 SG . . . . . . . . . . 5824 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes REF NP_681271 . . . . . ; Includes residues 180-283. Three additional residues (AMA) exist at the N-terminus. ; 5824 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'KaiA C-terminal domain' system 5824 1 ThKaiA180C abbreviation 5824 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'KaiC autophosphorylation enhancer' 5824 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ThKaiA180C_monomer _Entity.Sf_category entity _Entity.Sf_framecode ThKaiA180C_monomer _Entity.Entry_ID 5824 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Thermosynechococcus KaiA' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AMARMSPADKRKLLDELRSI YRTIVLEYFNTDAKVNERID EFVSKAFFADISVSQVLEIH VELMDTFSKQLKLEGRSEDI LLDYRLTLIDVIAHLCEMYR RSIPREV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 107 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12583 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; 62% sequence identity and and 82% sequence similarity to Synechococcus elongatus (PCC 7942) KaiA C-terminal domain. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 BMRB 5825 . ThKaiA180C_monomer . . . . . 100.00 107 100.00 100.00 2.30e-69 . . . . 5824 1 2 no PDB 1Q6A . "Solution Structure Of The C-Terminal Domain Of Thermosynechococcus Elongatus Kaia (Thkaia180c); Averaged Minimized Structure" . . . . . 100.00 107 100.00 100.00 2.30e-69 . . . . 5824 1 3 no PDB 1Q6B . "Solution Structure Of The C-Terminal Domain Of Thermosynechococcus Elongatus Kaia (Thkaia180c); Ensemble Of 25 Structures" . . . . . 100.00 107 100.00 100.00 2.30e-69 . . . . 5824 1 4 no PDB 1SUY . "Nmr Structure Of The Thkaia180c-Ciiabd Complex (Average Minimized Structure)" . . . . . 100.00 107 100.00 100.00 2.30e-69 . . . . 5824 1 5 no PDB 1SV1 . "Nmr Structure Of The Thkaia180c-Ciiabd Complex (25-Structure Ensemble)" . . . . . 100.00 107 100.00 100.00 2.30e-69 . . . . 5824 1 6 no PDB 1V2Z . "Crystal Structure Of The C-terminal Domain Of Thermosynechococcus Elongatus Bp-1 Kaia" . . . . . 97.20 111 100.00 100.00 6.08e-67 . . . . 5824 1 7 no DBJ BAB85983 . "circadian clock protein KaiA [Synechococcus elongatus]" . . . . . 97.20 283 100.00 100.00 4.59e-65 . . . . 5824 1 8 no DBJ BAC08033 . "kaiA [Thermosynechococcus elongatus BP-1]" . . . . . 97.20 283 100.00 100.00 4.59e-65 . . . . 5824 1 9 no DBJ BAD21221 . "circadian clock protein KaiA [Thermosynechococcus vulcanus]" . . . . . 97.20 283 100.00 100.00 4.59e-65 . . . . 5824 1 10 no REF NP_681271 . "circadian clock protein KaiA [Thermosynechococcus elongatus BP-1]" . . . . . 97.20 283 100.00 100.00 4.59e-65 . . . . 5824 1 11 no REF WP_011056332 . "circadian clock protein KaiA [Thermosynechococcus elongatus]" . . . . . 97.20 283 100.00 100.00 4.59e-65 . . . . 5824 1 12 no SP Q6L8K1 . "RecName: Full=Circadian clock protein KaiA [Thermosynechococcus vulcanus]" . . . . . 97.20 283 100.00 100.00 4.59e-65 . . . . 5824 1 13 no SP Q79V62 . "RecName: Full=Circadian clock protein KaiA [Thermosynechococcus elongatus BP-1]" . . . . . 97.20 283 100.00 100.00 4.59e-65 . . . . 5824 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Thermosynechococcus KaiA' common 5824 1 ThKaiA180C variant 5824 1 ThKaiA180C abbreviation 5824 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 . ALA . 5824 1 2 . MET . 5824 1 3 . ALA . 5824 1 4 . ARG . 5824 1 5 . MET . 5824 1 6 . SER . 5824 1 7 . PRO . 5824 1 8 . ALA . 5824 1 9 . ASP . 5824 1 10 . LYS . 5824 1 11 . ARG . 5824 1 12 . LYS . 5824 1 13 . LEU . 5824 1 14 . LEU . 5824 1 15 . ASP . 5824 1 16 . GLU . 5824 1 17 . LEU . 5824 1 18 . ARG . 5824 1 19 . SER . 5824 1 20 . ILE . 5824 1 21 . TYR . 5824 1 22 . ARG . 5824 1 23 . THR . 5824 1 24 . ILE . 5824 1 25 . VAL . 5824 1 26 . LEU . 5824 1 27 . GLU . 5824 1 28 . TYR . 5824 1 29 . PHE . 5824 1 30 . ASN . 5824 1 31 . THR . 5824 1 32 . ASP . 5824 1 33 . ALA . 5824 1 34 . LYS . 5824 1 35 . VAL . 5824 1 36 . ASN . 5824 1 37 . GLU . 5824 1 38 . ARG . 5824 1 39 . ILE . 5824 1 40 . ASP . 5824 1 41 . GLU . 5824 1 42 . PHE . 5824 1 43 . VAL . 5824 1 44 . SER . 5824 1 45 . LYS . 5824 1 46 . ALA . 5824 1 47 . PHE . 5824 1 48 . PHE . 5824 1 49 . ALA . 5824 1 50 . ASP . 5824 1 51 . ILE . 5824 1 52 . SER . 5824 1 53 . VAL . 5824 1 54 . SER . 5824 1 55 . GLN . 5824 1 56 . VAL . 5824 1 57 . LEU . 5824 1 58 . GLU . 5824 1 59 . ILE . 5824 1 60 . HIS . 5824 1 61 . VAL . 5824 1 62 . GLU . 5824 1 63 . LEU . 5824 1 64 . MET . 5824 1 65 . ASP . 5824 1 66 . THR . 5824 1 67 . PHE . 5824 1 68 . SER . 5824 1 69 . LYS . 5824 1 70 . GLN . 5824 1 71 . LEU . 5824 1 72 . LYS . 5824 1 73 . LEU . 5824 1 74 . GLU . 5824 1 75 . GLY . 5824 1 76 . ARG . 5824 1 77 . SER . 5824 1 78 . GLU . 5824 1 79 . ASP . 5824 1 80 . ILE . 5824 1 81 . LEU . 5824 1 82 . LEU . 5824 1 83 . ASP . 5824 1 84 . TYR . 5824 1 85 . ARG . 5824 1 86 . LEU . 5824 1 87 . THR . 5824 1 88 . LEU . 5824 1 89 . ILE . 5824 1 90 . ASP . 5824 1 91 . VAL . 5824 1 92 . ILE . 5824 1 93 . ALA . 5824 1 94 . HIS . 5824 1 95 . LEU . 5824 1 96 . CYS . 5824 1 97 . GLU . 5824 1 98 . MET . 5824 1 99 . TYR . 5824 1 100 . ARG . 5824 1 101 . ARG . 5824 1 102 . SER . 5824 1 103 . ILE . 5824 1 104 . PRO . 5824 1 105 . ARG . 5824 1 106 . GLU . 5824 1 107 . VAL . 5824 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 . ALA 1 1 5824 1 . MET 2 2 5824 1 . ALA 3 3 5824 1 . ARG 4 4 5824 1 . MET 5 5 5824 1 . SER 6 6 5824 1 . PRO 7 7 5824 1 . ALA 8 8 5824 1 . ASP 9 9 5824 1 . LYS 10 10 5824 1 . ARG 11 11 5824 1 . LYS 12 12 5824 1 . LEU 13 13 5824 1 . LEU 14 14 5824 1 . ASP 15 15 5824 1 . GLU 16 16 5824 1 . LEU 17 17 5824 1 . ARG 18 18 5824 1 . SER 19 19 5824 1 . ILE 20 20 5824 1 . TYR 21 21 5824 1 . ARG 22 22 5824 1 . THR 23 23 5824 1 . ILE 24 24 5824 1 . VAL 25 25 5824 1 . LEU 26 26 5824 1 . GLU 27 27 5824 1 . TYR 28 28 5824 1 . PHE 29 29 5824 1 . ASN 30 30 5824 1 . THR 31 31 5824 1 . ASP 32 32 5824 1 . ALA 33 33 5824 1 . LYS 34 34 5824 1 . VAL 35 35 5824 1 . ASN 36 36 5824 1 . GLU 37 37 5824 1 . ARG 38 38 5824 1 . ILE 39 39 5824 1 . ASP 40 40 5824 1 . GLU 41 41 5824 1 . PHE 42 42 5824 1 . VAL 43 43 5824 1 . SER 44 44 5824 1 . LYS 45 45 5824 1 . ALA 46 46 5824 1 . PHE 47 47 5824 1 . PHE 48 48 5824 1 . ALA 49 49 5824 1 . ASP 50 50 5824 1 . ILE 51 51 5824 1 . SER 52 52 5824 1 . VAL 53 53 5824 1 . SER 54 54 5824 1 . GLN 55 55 5824 1 . VAL 56 56 5824 1 . LEU 57 57 5824 1 . GLU 58 58 5824 1 . ILE 59 59 5824 1 . HIS 60 60 5824 1 . VAL 61 61 5824 1 . GLU 62 62 5824 1 . LEU 63 63 5824 1 . MET 64 64 5824 1 . ASP 65 65 5824 1 . THR 66 66 5824 1 . PHE 67 67 5824 1 . SER 68 68 5824 1 . LYS 69 69 5824 1 . GLN 70 70 5824 1 . LEU 71 71 5824 1 . LYS 72 72 5824 1 . LEU 73 73 5824 1 . GLU 74 74 5824 1 . GLY 75 75 5824 1 . ARG 76 76 5824 1 . SER 77 77 5824 1 . GLU 78 78 5824 1 . ASP 79 79 5824 1 . ILE 80 80 5824 1 . LEU 81 81 5824 1 . LEU 82 82 5824 1 . ASP 83 83 5824 1 . TYR 84 84 5824 1 . ARG 85 85 5824 1 . LEU 86 86 5824 1 . THR 87 87 5824 1 . LEU 88 88 5824 1 . ILE 89 89 5824 1 . ASP 90 90 5824 1 . VAL 91 91 5824 1 . ILE 92 92 5824 1 . ALA 93 93 5824 1 . HIS 94 94 5824 1 . LEU 95 95 5824 1 . CYS 96 96 5824 1 . GLU 97 97 5824 1 . MET 98 98 5824 1 . TYR 99 99 5824 1 . ARG 100 100 5824 1 . ARG 101 101 5824 1 . SER 102 102 5824 1 . ILE 103 103 5824 1 . PRO 104 104 5824 1 . ARG 105 105 5824 1 . GLU 106 106 5824 1 . VAL 107 107 5824 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 5824 _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 $ThKaiA180C_monomer . 146786 . . 'Thermosynechococcus elongatus' 'Thermosynechococcus elongatus' . . Eubacteria . Thermosynechococcus elongatus BP-1 . . . . . . . . . . . . . . . . . . . . 5824 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 5824 _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 $ThKaiA180C_monomer . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli . . . . . . . . . . . . . . . . BL21(DE3) . . . 'Escherichia coli BL21(DE3) was used for overexpression.' . . 5824 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5824 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Thermosynechococcus KaiA' '[U-99% 13C; U-99% 15N]' . . 1 $ThKaiA180C_monomer . . 1.2 . . mM . . . . 5824 1 2 Na2HPO4 . . . . . . . 20.0 . . mM . . . . 5824 1 3 NaCl . . . . . . . 20.0 . . mM . . . . 5824 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5824 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Thermosynechococcus KaiA' . . . 1 $ThKaiA180C_monomer . . 1.2 . . mM . . . . 5824 2 2 Na2HPO4 . . . . . . . 20.0 . . mM . . . . 5824 2 3 NaCl . . . . . . . 20.0 . . mM . . . . 5824 2 stop_ save_ ####################### # Sample conditions # ####################### save_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_1 _Sample_condition_list.Entry_ID 5824 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; Sodium phosphate buffer was used and the pH was adjusted to 7.07 at 23 C in order to be 7.0 at 50C. ; 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 pH 7.0 0.1 na 5824 1 temperature 323 0.5 K 5824 1 'ionic strength' 0.15 0.01 M 5824 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 5824 _Software.ID 1 _Software.Name NMRPipe _Software.Version '2.1 Rev 2002.044.17.08' _Software.Details ; Delaglio, F., Grzesiek, S., Vuister, G.W., Zhu, G., Pfeifer, J. and Bax, A. (1995) J. Biomol. NMR., 6, 277-293. ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 5824 1 stop_ save_ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 5824 _Software.ID 2 _Software.Name PIPP _Software.Version 4.2.6 _Software.Details ; Garrett, D.S., Powers, R., Gronenborn, A.M. and Clore, G.M. (1991) J. Magn. Reson., 95, 214-220. ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 5824 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5824 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5824 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5824 _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 NMR_spectrometer_1 Varian INOVA . 600 . . . 5824 1 2 NMR_spectrometer_2 Varian INOVA . 500 . . . 5824 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 5824 _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 '15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5824 1 2 '13C HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5824 1 3 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5824 1 4 CBCANH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5824 1 5 HBHA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5824 1 6 C(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5824 1 7 H(CCO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5824 1 8 H(C)CH-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5824 1 9 '4D 13C-13C edited NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5824 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5824 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5824 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5824 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5824 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name CBCANH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5824 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HBHA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5824 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name C(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5824 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name H(CCO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5824 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name H(C)CH-COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5824 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '4D 13C-13C edited NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5824 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . . . . . . . 5824 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5824 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5824 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5824 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '15N HSQC' . . . 5824 1 2 '13C HSQC' . . . 5824 1 3 CBCA(CO)NH . . . 5824 1 4 CBCANH . . . 5824 1 5 HBHA(CO)NH . . . 5824 1 6 C(CO)NH . . . 5824 1 7 H(CCO)NH . . . 5824 1 8 H(C)CH-COSY . . . 5824 1 9 '4D 13C-13C edited NOESY' . . . 5824 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 ALA HA H 1 3.84 0.02 . 1 . . . . . . . . 5824 1 2 . 1 1 1 1 ALA HB1 H 1 1.42 0.02 . 1 . . . . . . . . 5824 1 3 . 1 1 1 1 ALA HB2 H 1 1.42 0.02 . 1 . . . . . . . . 5824 1 4 . 1 1 1 1 ALA HB3 H 1 1.42 0.02 . 1 . . . . . . . . 5824 1 5 . 1 1 1 1 ALA CA C 13 52.06 0.10 . 1 . . . . . . . . 5824 1 6 . 1 1 1 1 ALA CB C 13 21.32 0.10 . 1 . . . . . . . . 5824 1 7 . 1 1 2 2 MET HA H 1 4.60 0.02 . 1 . . . . . . . . 5824 1 8 . 1 1 2 2 MET HB2 H 1 2.06 0.02 . 1 . . . . . . . . 5824 1 9 . 1 1 2 2 MET HB3 H 1 2.06 0.02 . 1 . . . . . . . . 5824 1 10 . 1 1 2 2 MET HG2 H 1 2.62 0.02 . 1 . . . . . . . . 5824 1 11 . 1 1 2 2 MET HG3 H 1 2.62 0.02 . 1 . . . . . . . . 5824 1 12 . 1 1 2 2 MET HE1 H 1 2.05 0.02 . 1 . . . . . . . . 5824 1 13 . 1 1 2 2 MET HE2 H 1 2.05 0.02 . 1 . . . . . . . . 5824 1 14 . 1 1 2 2 MET HE3 H 1 2.05 0.02 . 1 . . . . . . . . 5824 1 15 . 1 1 2 2 MET CA C 13 55.71 0.10 . 1 . . . . . . . . 5824 1 16 . 1 1 2 2 MET CB C 13 34.73 0.10 . 1 . . . . . . . . 5824 1 17 . 1 1 2 2 MET CG C 13 32.26 0.10 . 1 . . . . . . . . 5824 1 18 . 1 1 2 2 MET CE C 13 17.27 0.10 . 1 . . . . . . . . 5824 1 19 . 1 1 3 3 ALA HA H 1 4.35 0.02 . 1 . . . . . . . . 5824 1 20 . 1 1 3 3 ALA HB1 H 1 1.39 0.02 . 1 . . . . . . . . 5824 1 21 . 1 1 3 3 ALA HB2 H 1 1.39 0.02 . 1 . . . . . . . . 5824 1 22 . 1 1 3 3 ALA HB3 H 1 1.39 0.02 . 1 . . . . . . . . 5824 1 23 . 1 1 3 3 ALA CA C 13 52.58 0.10 . 1 . . . . . . . . 5824 1 24 . 1 1 3 3 ALA CB C 13 19.59 0.10 . 1 . . . . . . . . 5824 1 25 . 1 1 4 4 ARG HA H 1 3.63 0.02 . 1 . . . . . . . . 5824 1 26 . 1 1 4 4 ARG HB2 H 1 1.77 0.02 . 2 . . . . . . . . 5824 1 27 . 1 1 4 4 ARG HB3 H 1 1.81 0.02 . 2 . . . . . . . . 5824 1 28 . 1 1 4 4 ARG HG2 H 1 1.64 0.02 . 1 . . . . . . . . 5824 1 29 . 1 1 4 4 ARG HG3 H 1 1.64 0.02 . 1 . . . . . . . . 5824 1 30 . 1 1 4 4 ARG HD2 H 1 3.21 0.02 . 1 . . . . . . . . 5824 1 31 . 1 1 4 4 ARG HD3 H 1 3.21 0.02 . 1 . . . . . . . . 5824 1 32 . 1 1 4 4 ARG CA C 13 56.46 0.10 . 1 . . . . . . . . 5824 1 33 . 1 1 4 4 ARG CB C 13 32.87 0.10 . 1 . . . . . . . . 5824 1 34 . 1 1 4 4 ARG CG C 13 26.91 0.10 . 1 . . . . . . . . 5824 1 35 . 1 1 4 4 ARG CD C 13 43.59 0.10 . 1 . . . . . . . . 5824 1 36 . 1 1 5 5 MET HA H 1 4.47 0.02 . 1 . . . . . . . . 5824 1 37 . 1 1 5 5 MET HB2 H 1 2.03 0.02 . 1 . . . . . . . . 5824 1 38 . 1 1 5 5 MET HB3 H 1 2.03 0.02 . 1 . . . . . . . . 5824 1 39 . 1 1 5 5 MET HG2 H 1 2.62 0.02 . 1 . . . . . . . . 5824 1 40 . 1 1 5 5 MET HG3 H 1 2.62 0.02 . 1 . . . . . . . . 5824 1 41 . 1 1 5 5 MET HE1 H 1 1.62 0.02 . 1 . . . . . . . . 5824 1 42 . 1 1 5 5 MET HE2 H 1 1.62 0.02 . 1 . . . . . . . . 5824 1 43 . 1 1 5 5 MET HE3 H 1 1.62 0.02 . 1 . . . . . . . . 5824 1 44 . 1 1 5 5 MET CA C 13 55.93 0.10 . 1 . . . . . . . . 5824 1 45 . 1 1 5 5 MET CB C 13 33.42 0.10 . 1 . . . . . . . . 5824 1 46 . 1 1 5 5 MET CG C 13 31.77 0.10 . 1 . . . . . . . . 5824 1 47 . 1 1 5 5 MET CE C 13 17.56 0.10 . 1 . . . . . . . . 5824 1 48 . 1 1 6 6 SER HA H 1 4.80 0.02 . 1 . . . . . . . . 5824 1 49 . 1 1 6 6 SER HB2 H 1 4.06 0.02 . 2 . . . . . . . . 5824 1 50 . 1 1 6 6 SER HB3 H 1 4.27 0.02 . 2 . . . . . . . . 5824 1 51 . 1 1 6 6 SER CA C 13 56.80 0.10 . 1 . . . . . . . . 5824 1 52 . 1 1 6 6 SER CB C 13 63.41 0.10 . 1 . . . . . . . . 5824 1 53 . 1 1 7 7 PRO HA H 1 4.32 0.02 . 1 . . . . . . . . 5824 1 54 . 1 1 7 7 PRO HB2 H 1 2.00 0.02 . 2 . . . . . . . . 5824 1 55 . 1 1 7 7 PRO HB3 H 1 2.44 0.02 . 2 . . . . . . . . 5824 1 56 . 1 1 7 7 PRO HG2 H 1 2.09 0.02 . 2 . . . . . . . . 5824 1 57 . 1 1 7 7 PRO HG3 H 1 2.22 0.02 . 2 . . . . . . . . 5824 1 58 . 1 1 7 7 PRO HD2 H 1 3.92 0.02 . 2 . . . . . . . . 5824 1 59 . 1 1 7 7 PRO HD3 H 1 3.97 0.02 . 2 . . . . . . . . 5824 1 60 . 1 1 7 7 PRO CA C 13 65.53 0.10 . 1 . . . . . . . . 5824 1 61 . 1 1 7 7 PRO CB C 13 31.92 0.10 . 1 . . . . . . . . 5824 1 62 . 1 1 7 7 PRO CG C 13 27.93 0.10 . 1 . . . . . . . . 5824 1 63 . 1 1 7 7 PRO CD C 13 50.57 0.10 . 1 . . . . . . . . 5824 1 64 . 1 1 8 8 ALA HA H 1 4.17 0.02 . 1 . . . . . . . . 5824 1 65 . 1 1 8 8 ALA HB1 H 1 1.44 0.02 . 1 . . . . . . . . 5824 1 66 . 1 1 8 8 ALA HB2 H 1 1.44 0.02 . 1 . . . . . . . . 5824 1 67 . 1 1 8 8 ALA HB3 H 1 1.44 0.02 . 1 . . . . . . . . 5824 1 68 . 1 1 8 8 ALA CA C 13 54.76 0.10 . 1 . . . . . . . . 5824 1 69 . 1 1 8 8 ALA CB C 13 18.75 0.10 . 1 . . . . . . . . 5824 1 70 . 1 1 9 9 ASP H H 1 7.82 0.02 . 1 . . . . . . . . 5824 1 71 . 1 1 9 9 ASP HB2 H 1 2.77 0.02 . 2 . . . . . . . . 5824 1 72 . 1 1 9 9 ASP HB3 H 1 2.88 0.02 . 2 . . . . . . . . 5824 1 73 . 1 1 9 9 ASP HA H 1 4.55 0.02 . 1 . . . . . . . . 5824 1 74 . 1 1 9 9 ASP CA C 13 56.61 0.10 . 1 . . . . . . . . 5824 1 75 . 1 1 9 9 ASP CB C 13 40.72 0.10 . 1 . . . . . . . . 5824 1 76 . 1 1 9 9 ASP N N 15 119.76 0.10 . 1 . . . . . . . . 5824 1 77 . 1 1 10 10 LYS H H 1 8.32 0.02 . 1 . . . . . . . . 5824 1 78 . 1 1 10 10 LYS HA H 1 4.04 0.02 . 1 . . . . . . . . 5824 1 79 . 1 1 10 10 LYS HB2 H 1 1.87 0.02 . 2 . . . . . . . . 5824 1 80 . 1 1 10 10 LYS HB3 H 1 1.92 0.02 . 2 . . . . . . . . 5824 1 81 . 1 1 10 10 LYS HG2 H 1 1.49 0.02 . 1 . . . . . . . . 5824 1 82 . 1 1 10 10 LYS HG3 H 1 1.49 0.02 . 1 . . . . . . . . 5824 1 83 . 1 1 10 10 LYS HD2 H 1 1.71 0.02 . 1 . . . . . . . . 5824 1 84 . 1 1 10 10 LYS HD3 H 1 1.71 0.02 . 1 . . . . . . . . 5824 1 85 . 1 1 10 10 LYS HE2 H 1 2.99 0.02 . 1 . . . . . . . . 5824 1 86 . 1 1 10 10 LYS HE3 H 1 2.99 0.02 . 1 . . . . . . . . 5824 1 87 . 1 1 10 10 LYS CA C 13 59.55 0.10 . 1 . . . . . . . . 5824 1 88 . 1 1 10 10 LYS CB C 13 32.26 0.10 . 1 . . . . . . . . 5824 1 89 . 1 1 10 10 LYS CG C 13 25.62 0.10 . 1 . . . . . . . . 5824 1 90 . 1 1 10 10 LYS CD C 13 29.45 0.10 . 1 . . . . . . . . 5824 1 91 . 1 1 10 10 LYS CE C 13 41.86 0.10 . 1 . . . . . . . . 5824 1 92 . 1 1 10 10 LYS N N 15 122.09 0.10 . 1 . . . . . . . . 5824 1 93 . 1 1 11 11 ARG H H 1 7.95 0.02 . 1 . . . . . . . . 5824 1 94 . 1 1 11 11 ARG HA H 1 4.03 0.02 . 1 . . . . . . . . 5824 1 95 . 1 1 11 11 ARG HB2 H 1 1.98 0.02 . 1 . . . . . . . . 5824 1 96 . 1 1 11 11 ARG HB3 H 1 1.98 0.02 . 1 . . . . . . . . 5824 1 97 . 1 1 11 11 ARG HG2 H 1 1.78 0.02 . 1 . . . . . . . . 5824 1 98 . 1 1 11 11 ARG HG3 H 1 1.78 0.02 . 1 . . . . . . . . 5824 1 99 . 1 1 11 11 ARG HD2 H 1 3.26 0.02 . 1 . . . . . . . . 5824 1 100 . 1 1 11 11 ARG HD3 H 1 3.26 0.02 . 1 . . . . . . . . 5824 1 101 . 1 1 11 11 ARG CA C 13 59.54 0.10 . 1 . . . . . . . . 5824 1 102 . 1 1 11 11 ARG CB C 13 29.92 0.10 . 1 . . . . . . . . 5824 1 103 . 1 1 11 11 ARG CG C 13 27.38 0.10 . 1 . . . . . . . . 5824 1 104 . 1 1 11 11 ARG CD C 13 43.38 0.10 . 1 . . . . . . . . 5824 1 105 . 1 1 11 11 ARG N N 15 118.94 0.10 . 1 . . . . . . . . 5824 1 106 . 1 1 12 12 LYS H H 1 7.66 0.02 . 1 . . . . . . . . 5824 1 107 . 1 1 12 12 LYS HA H 1 4.19 0.02 . 1 . . . . . . . . 5824 1 108 . 1 1 12 12 LYS HB2 H 1 1.98 0.02 . 1 . . . . . . . . 5824 1 109 . 1 1 12 12 LYS HB3 H 1 1.98 0.02 . 1 . . . . . . . . 5824 1 110 . 1 1 12 12 LYS HG2 H 1 1.52 0.02 . 2 . . . . . . . . 5824 1 111 . 1 1 12 12 LYS HG3 H 1 1.64 0.02 . 2 . . . . . . . . 5824 1 112 . 1 1 12 12 LYS HD2 H 1 1.78 0.02 . 1 . . . . . . . . 5824 1 113 . 1 1 12 12 LYS HD3 H 1 1.78 0.02 . 1 . . . . . . . . 5824 1 114 . 1 1 12 12 LYS HE2 H 1 3.04 0.02 . 1 . . . . . . . . 5824 1 115 . 1 1 12 12 LYS HE3 H 1 3.04 0.02 . 1 . . . . . . . . 5824 1 116 . 1 1 12 12 LYS CA C 13 59.46 0.10 . 1 . . . . . . . . 5824 1 117 . 1 1 12 12 LYS CB C 13 32.53 0.10 . 1 . . . . . . . . 5824 1 118 . 1 1 12 12 LYS CG C 13 25.06 0.10 . 1 . . . . . . . . 5824 1 119 . 1 1 12 12 LYS CD C 13 29.41 0.10 . 1 . . . . . . . . 5824 1 120 . 1 1 12 12 LYS CE C 13 42.32 0.10 . 1 . . . . . . . . 5824 1 121 . 1 1 12 12 LYS N N 15 119.15 0.10 . 1 . . . . . . . . 5824 1 122 . 1 1 13 13 LEU H H 1 7.83 0.02 . 1 . . . . . . . . 5824 1 123 . 1 1 13 13 LEU HA H 1 4.29 0.02 . 1 . . . . . . . . 5824 1 124 . 1 1 13 13 LEU HB2 H 1 1.75 0.02 . 2 . . . . . . . . 5824 1 125 . 1 1 13 13 LEU HB3 H 1 1.86 0.02 . 2 . . . . . . . . 5824 1 126 . 1 1 13 13 LEU HG H 1 1.73 0.02 . 1 . . . . . . . . 5824 1 127 . 1 1 13 13 LEU HD11 H 1 0.95 0.02 . 1 . . . . . . . . 5824 1 128 . 1 1 13 13 LEU HD12 H 1 0.95 0.02 . 1 . . . . . . . . 5824 1 129 . 1 1 13 13 LEU HD13 H 1 0.95 0.02 . 1 . . . . . . . . 5824 1 130 . 1 1 13 13 LEU HD21 H 1 0.95 0.02 . 1 . . . . . . . . 5824 1 131 . 1 1 13 13 LEU HD22 H 1 0.95 0.02 . 1 . . . . . . . . 5824 1 132 . 1 1 13 13 LEU HD23 H 1 0.95 0.02 . 1 . . . . . . . . 5824 1 133 . 1 1 13 13 LEU CA C 13 57.54 0.10 . 1 . . . . . . . . 5824 1 134 . 1 1 13 13 LEU CB C 13 41.46 0.10 . 1 . . . . . . . . 5824 1 135 . 1 1 13 13 LEU CG C 13 27.52 0.10 . 1 . . . . . . . . 5824 1 136 . 1 1 13 13 LEU CD1 C 13 24.78 0.10 . 1 . . . . . . . . 5824 1 137 . 1 1 13 13 LEU CD2 C 13 24.78 0.10 . 1 . . . . . . . . 5824 1 138 . 1 1 13 13 LEU N N 15 121.04 0.10 . 1 . . . . . . . . 5824 1 139 . 1 1 14 14 LEU H H 1 8.35 0.02 . 1 . . . . . . . . 5824 1 140 . 1 1 14 14 LEU HA H 1 3.98 0.02 . 1 . . . . . . . . 5824 1 141 . 1 1 14 14 LEU HB2 H 1 1.61 0.02 . 2 . . . . . . . . 5824 1 142 . 1 1 14 14 LEU HB3 H 1 1.90 0.02 . 2 . . . . . . . . 5824 1 143 . 1 1 14 14 LEU HG H 1 1.75 0.02 . 1 . . . . . . . . 5824 1 144 . 1 1 14 14 LEU HD11 H 1 0.92 0.02 . 2 . . . . . . . . 5824 1 145 . 1 1 14 14 LEU HD12 H 1 0.92 0.02 . 2 . . . . . . . . 5824 1 146 . 1 1 14 14 LEU HD13 H 1 0.92 0.02 . 2 . . . . . . . . 5824 1 147 . 1 1 14 14 LEU HD21 H 1 0.86 0.02 . 2 . . . . . . . . 5824 1 148 . 1 1 14 14 LEU HD22 H 1 0.86 0.02 . 2 . . . . . . . . 5824 1 149 . 1 1 14 14 LEU HD23 H 1 0.86 0.02 . 2 . . . . . . . . 5824 1 150 . 1 1 14 14 LEU CA C 13 58.52 0.10 . 1 . . . . . . . . 5824 1 151 . 1 1 14 14 LEU CB C 13 41.40 0.10 . 1 . . . . . . . . 5824 1 152 . 1 1 14 14 LEU CG C 13 27.57 0.10 . 1 . . . . . . . . 5824 1 153 . 1 1 14 14 LEU CD1 C 13 24.84 0.10 . 2 . . . . . . . . 5824 1 154 . 1 1 14 14 LEU CD2 C 13 23.64 0.10 . 2 . . . . . . . . 5824 1 155 . 1 1 14 14 LEU N N 15 120.44 0.10 . 1 . . . . . . . . 5824 1 156 . 1 1 15 15 ASP H H 1 7.99 0.02 . 1 . . . . . . . . 5824 1 157 . 1 1 15 15 ASP HA H 1 4.42 0.02 . 1 . . . . . . . . 5824 1 158 . 1 1 15 15 ASP HB2 H 1 2.70 0.02 . 2 . . . . . . . . 5824 1 159 . 1 1 15 15 ASP HB3 H 1 2.79 0.02 . 2 . . . . . . . . 5824 1 160 . 1 1 15 15 ASP CA C 13 58.02 0.10 . 1 . . . . . . . . 5824 1 161 . 1 1 15 15 ASP CB C 13 40.70 0.10 . 1 . . . . . . . . 5824 1 162 . 1 1 15 15 ASP N N 15 119.48 0.10 . 1 . . . . . . . . 5824 1 163 . 1 1 16 16 GLU H H 1 7.64 0.02 . 1 . . . . . . . . 5824 1 164 . 1 1 16 16 GLU HA H 1 4.20 0.02 . 1 . . . . . . . . 5824 1 165 . 1 1 16 16 GLU HB2 H 1 2.31 0.02 . 1 . . . . . . . . 5824 1 166 . 1 1 16 16 GLU HB3 H 1 2.31 0.02 . 1 . . . . . . . . 5824 1 167 . 1 1 16 16 GLU HG2 H 1 2.49 0.02 . 1 . . . . . . . . 5824 1 168 . 1 1 16 16 GLU HG3 H 1 2.49 0.02 . 1 . . . . . . . . 5824 1 169 . 1 1 16 16 GLU CA C 13 59.82 0.10 . 1 . . . . . . . . 5824 1 170 . 1 1 16 16 GLU CB C 13 29.59 0.10 . 1 . . . . . . . . 5824 1 171 . 1 1 16 16 GLU CG C 13 36.53 0.10 . 1 . . . . . . . . 5824 1 172 . 1 1 16 16 GLU N N 15 121.36 0.10 . 1 . . . . . . . . 5824 1 173 . 1 1 17 17 LEU H H 1 8.75 0.02 . 1 . . . . . . . . 5824 1 174 . 1 1 17 17 LEU HA H 1 4.11 0.02 . 1 . . . . . . . . 5824 1 175 . 1 1 17 17 LEU HB2 H 1 1.41 0.02 . 2 . . . . . . . . 5824 1 176 . 1 1 17 17 LEU HB3 H 1 2.12 0.02 . 2 . . . . . . . . 5824 1 177 . 1 1 17 17 LEU HG H 1 1.83 0.02 . 1 . . . . . . . . 5824 1 178 . 1 1 17 17 LEU HD11 H 1 0.53 0.02 . 2 . . . . . . . . 5824 1 179 . 1 1 17 17 LEU HD12 H 1 0.53 0.02 . 2 . . . . . . . . 5824 1 180 . 1 1 17 17 LEU HD13 H 1 0.53 0.02 . 2 . . . . . . . . 5824 1 181 . 1 1 17 17 LEU HD21 H 1 0.31 0.02 . 2 . . . . . . . . 5824 1 182 . 1 1 17 17 LEU HD22 H 1 0.31 0.02 . 2 . . . . . . . . 5824 1 183 . 1 1 17 17 LEU HD23 H 1 0.31 0.02 . 2 . . . . . . . . 5824 1 184 . 1 1 17 17 LEU CA C 13 58.53 0.10 . 1 . . . . . . . . 5824 1 185 . 1 1 17 17 LEU CB C 13 40.86 0.10 . 1 . . . . . . . . 5824 1 186 . 1 1 17 17 LEU CD1 C 13 26.17 0.10 . 2 . . . . . . . . 5824 1 187 . 1 1 17 17 LEU CD2 C 13 23.02 0.10 . 2 . . . . . . . . 5824 1 188 . 1 1 17 17 LEU CG C 13 26.51 0.10 . 1 . . . . . . . . 5824 1 189 . 1 1 17 17 LEU N N 15 119.30 0.10 . 1 . . . . . . . . 5824 1 190 . 1 1 18 18 ARG H H 1 8.54 0.02 . 1 . . . . . . . . 5824 1 191 . 1 1 18 18 ARG HA H 1 4.09 0.02 . 1 . . . . . . . . 5824 1 192 . 1 1 18 18 ARG HB2 H 1 2.10 0.02 . 1 . . . . . . . . 5824 1 193 . 1 1 18 18 ARG HB3 H 1 2.10 0.02 . 1 . . . . . . . . 5824 1 194 . 1 1 18 18 ARG HG2 H 1 1.77 0.02 . 1 . . . . . . . . 5824 1 195 . 1 1 18 18 ARG HG3 H 1 1.77 0.02 . 1 . . . . . . . . 5824 1 196 . 1 1 18 18 ARG HD2 H 1 3.34 0.02 . 1 . . . . . . . . 5824 1 197 . 1 1 18 18 ARG HD3 H 1 3.34 0.02 . 1 . . . . . . . . 5824 1 198 . 1 1 18 18 ARG CA C 13 60.77 0.10 . 1 . . . . . . . . 5824 1 199 . 1 1 18 18 ARG CB C 13 30.51 0.10 . 1 . . . . . . . . 5824 1 200 . 1 1 18 18 ARG CG C 13 29.47 0.10 . 1 . . . . . . . . 5824 1 201 . 1 1 18 18 ARG CD C 13 43.59 0.10 . 1 . . . . . . . . 5824 1 202 . 1 1 18 18 ARG N N 15 119.38 0.10 . 1 . . . . . . . . 5824 1 203 . 1 1 19 19 SER H H 1 7.73 0.02 . 1 . . . . . . . . 5824 1 204 . 1 1 19 19 SER HA H 1 4.33 0.02 . 1 . . . . . . . . 5824 1 205 . 1 1 19 19 SER HB2 H 1 4.17 0.02 . 1 . . . . . . . . 5824 1 206 . 1 1 19 19 SER HB3 H 1 4.17 0.02 . 1 . . . . . . . . 5824 1 207 . 1 1 19 19 SER CA C 13 61.90 0.10 . 1 . . . . . . . . 5824 1 208 . 1 1 19 19 SER CB C 13 63.09 0.10 . 1 . . . . . . . . 5824 1 209 . 1 1 19 19 SER N N 15 115.35 0.10 . 1 . . . . . . . . 5824 1 210 . 1 1 20 20 ILE H H 1 8.59 0.02 . 1 . . . . . . . . 5824 1 211 . 1 1 20 20 ILE HA H 1 3.93 0.02 . 1 . . . . . . . . 5824 1 212 . 1 1 20 20 ILE HB H 1 2.08 0.02 . 1 . . . . . . . . 5824 1 213 . 1 1 20 20 ILE HG12 H 1 1.15 0.02 . 2 . . . . . . . . 5824 1 214 . 1 1 20 20 ILE HG13 H 1 2.11 0.02 . 2 . . . . . . . . 5824 1 215 . 1 1 20 20 ILE HG21 H 1 1.21 0.02 . 1 . . . . . . . . 5824 1 216 . 1 1 20 20 ILE HG22 H 1 1.21 0.02 . 1 . . . . . . . . 5824 1 217 . 1 1 20 20 ILE HG23 H 1 1.21 0.02 . 1 . . . . . . . . 5824 1 218 . 1 1 20 20 ILE HD11 H 1 0.90 0.02 . 1 . . . . . . . . 5824 1 219 . 1 1 20 20 ILE HD12 H 1 0.90 0.02 . 1 . . . . . . . . 5824 1 220 . 1 1 20 20 ILE HD13 H 1 0.90 0.02 . 1 . . . . . . . . 5824 1 221 . 1 1 20 20 ILE CA C 13 65.61 0.10 . 1 . . . . . . . . 5824 1 222 . 1 1 20 20 ILE CB C 13 39.15 0.10 . 1 . . . . . . . . 5824 1 223 . 1 1 20 20 ILE CG1 C 13 28.70 0.10 . 1 . . . . . . . . 5824 1 224 . 1 1 20 20 ILE CG2 C 13 19.17 0.10 . 1 . . . . . . . . 5824 1 225 . 1 1 20 20 ILE CD1 C 13 14.84 0.10 . 1 . . . . . . . . 5824 1 226 . 1 1 20 20 ILE N N 15 122.38 0.10 . 1 . . . . . . . . 5824 1 227 . 1 1 21 21 TYR H H 1 9.08 0.02 . 1 . . . . . . . . 5824 1 228 . 1 1 21 21 TYR HA H 1 3.79 0.02 . 1 . . . . . . . . 5824 1 229 . 1 1 21 21 TYR HB2 H 1 2.84 0.02 . 2 . . . . . . . . 5824 1 230 . 1 1 21 21 TYR HB3 H 1 3.23 0.02 . 2 . . . . . . . . 5824 1 231 . 1 1 21 21 TYR HD1 H 1 6.34 0.02 . 1 . . . . . . . . 5824 1 232 . 1 1 21 21 TYR HD2 H 1 6.34 0.02 . 1 . . . . . . . . 5824 1 233 . 1 1 21 21 TYR HE1 H 1 6.43 0.02 . 1 . . . . . . . . 5824 1 234 . 1 1 21 21 TYR HE2 H 1 6.43 0.02 . 1 . . . . . . . . 5824 1 235 . 1 1 21 21 TYR CA C 13 63.12 0.10 . 1 . . . . . . . . 5824 1 236 . 1 1 21 21 TYR CB C 13 38.78 0.10 . 1 . . . . . . . . 5824 1 237 . 1 1 21 21 TYR CD1 C 13 131.99 0.10 . 1 . . . . . . . . 5824 1 238 . 1 1 21 21 TYR CD2 C 13 131.99 0.10 . 1 . . . . . . . . 5824 1 239 . 1 1 21 21 TYR CE1 C 13 117.29 0.10 . 1 . . . . . . . . 5824 1 240 . 1 1 21 21 TYR CE2 C 13 117.29 0.10 . 1 . . . . . . . . 5824 1 241 . 1 1 21 21 TYR N N 15 121.49 0.10 . 1 . . . . . . . . 5824 1 242 . 1 1 22 22 ARG H H 1 7.84 0.02 . 1 . . . . . . . . 5824 1 243 . 1 1 22 22 ARG HA H 1 3.82 0.02 . 1 . . . . . . . . 5824 1 244 . 1 1 22 22 ARG HB2 H 1 2.01 0.02 . 2 . . . . . . . . 5824 1 245 . 1 1 22 22 ARG HB3 H 1 2.13 0.02 . 2 . . . . . . . . 5824 1 246 . 1 1 22 22 ARG HG2 H 1 1.62 0.02 . 2 . . . . . . . . 5824 1 247 . 1 1 22 22 ARG HG3 H 1 1.68 0.02 . 2 . . . . . . . . 5824 1 248 . 1 1 22 22 ARG HD2 H 1 3.29 0.02 . 1 . . . . . . . . 5824 1 249 . 1 1 22 22 ARG HD3 H 1 3.29 0.02 . 1 . . . . . . . . 5824 1 250 . 1 1 22 22 ARG CA C 13 60.20 0.10 . 1 . . . . . . . . 5824 1 251 . 1 1 22 22 ARG CB C 13 29.56 0.10 . 1 . . . . . . . . 5824 1 252 . 1 1 22 22 ARG CG C 13 28.09 0.10 . 1 . . . . . . . . 5824 1 253 . 1 1 22 22 ARG CD C 13 43.58 0.10 . 1 . . . . . . . . 5824 1 254 . 1 1 22 22 ARG N N 15 116.40 0.10 . 1 . . . . . . . . 5824 1 255 . 1 1 23 23 THR H H 1 7.51 0.02 . 1 . . . . . . . . 5824 1 256 . 1 1 23 23 THR HA H 1 3.93 0.02 . 1 . . . . . . . . 5824 1 257 . 1 1 23 23 THR HB H 1 4.38 0.02 . 1 . . . . . . . . 5824 1 258 . 1 1 23 23 THR HG21 H 1 1.24 0.02 . 1 . . . . . . . . 5824 1 259 . 1 1 23 23 THR HG22 H 1 1.24 0.02 . 1 . . . . . . . . 5824 1 260 . 1 1 23 23 THR HG23 H 1 1.24 0.02 . 1 . . . . . . . . 5824 1 261 . 1 1 23 23 THR CA C 13 67.06 0.10 . 1 . . . . . . . . 5824 1 262 . 1 1 23 23 THR CB C 13 68.79 0.10 . 1 . . . . . . . . 5824 1 263 . 1 1 23 23 THR CG2 C 13 22.37 0.10 . 1 . . . . . . . . 5824 1 264 . 1 1 23 23 THR N N 15 113.80 0.10 . 1 . . . . . . . . 5824 1 265 . 1 1 24 24 ILE H H 1 8.03 0.02 . 1 . . . . . . . . 5824 1 266 . 1 1 24 24 ILE HA H 1 3.34 0.02 . 1 . . . . . . . . 5824 1 267 . 1 1 24 24 ILE HB H 1 1.69 0.02 . 1 . . . . . . . . 5824 1 268 . 1 1 24 24 ILE HG12 H 1 0.62 0.02 . 2 . . . . . . . . 5824 1 269 . 1 1 24 24 ILE HG13 H 1 1.84 0.02 . 2 . . . . . . . . 5824 1 270 . 1 1 24 24 ILE HG21 H 1 0.47 0.02 . 1 . . . . . . . . 5824 1 271 . 1 1 24 24 ILE HG22 H 1 0.47 0.02 . 1 . . . . . . . . 5824 1 272 . 1 1 24 24 ILE HG23 H 1 0.47 0.02 . 1 . . . . . . . . 5824 1 273 . 1 1 24 24 ILE HD11 H 1 0.63 0.02 . 1 . . . . . . . . 5824 1 274 . 1 1 24 24 ILE HD12 H 1 0.63 0.02 . 1 . . . . . . . . 5824 1 275 . 1 1 24 24 ILE HD13 H 1 0.63 0.02 . 1 . . . . . . . . 5824 1 276 . 1 1 24 24 ILE CA C 13 66.24 0.10 . 1 . . . . . . . . 5824 1 277 . 1 1 24 24 ILE CB C 13 37.33 0.10 . 1 . . . . . . . . 5824 1 278 . 1 1 24 24 ILE CG1 C 13 30.25 0.10 . 1 . . . . . . . . 5824 1 279 . 1 1 24 24 ILE CG2 C 13 17.04 0.10 . 1 . . . . . . . . 5824 1 280 . 1 1 24 24 ILE CD1 C 13 14.67 0.10 . 1 . . . . . . . . 5824 1 281 . 1 1 24 24 ILE N N 15 121.26 0.10 . 1 . . . . . . . . 5824 1 282 . 1 1 25 25 VAL H H 1 7.84 0.02 . 1 . . . . . . . . 5824 1 283 . 1 1 25 25 VAL HA H 1 3.36 0.02 . 1 . . . . . . . . 5824 1 284 . 1 1 25 25 VAL HB H 1 1.84 0.02 . 1 . . . . . . . . 5824 1 285 . 1 1 25 25 VAL HG21 H 1 0.23 0.02 . 2 . . . . . . . . 5824 1 286 . 1 1 25 25 VAL HG22 H 1 0.23 0.02 . 2 . . . . . . . . 5824 1 287 . 1 1 25 25 VAL HG23 H 1 0.23 0.02 . 2 . . . . . . . . 5824 1 288 . 1 1 25 25 VAL HG11 H 1 0.49 0.02 . 2 . . . . . . . . 5824 1 289 . 1 1 25 25 VAL HG12 H 1 0.49 0.02 . 2 . . . . . . . . 5824 1 290 . 1 1 25 25 VAL HG13 H 1 0.49 0.02 . 2 . . . . . . . . 5824 1 291 . 1 1 25 25 VAL CA C 13 66.96 0.10 . 1 . . . . . . . . 5824 1 292 . 1 1 25 25 VAL CB C 13 31.48 0.10 . 1 . . . . . . . . 5824 1 293 . 1 1 25 25 VAL CG1 C 13 23.98 0.10 . 2 . . . . . . . . 5824 1 294 . 1 1 25 25 VAL CG2 C 13 21.00 0.10 . 2 . . . . . . . . 5824 1 295 . 1 1 25 25 VAL N N 15 117.49 0.10 . 1 . . . . . . . . 5824 1 296 . 1 1 26 26 LEU H H 1 8.04 0.02 . 1 . . . . . . . . 5824 1 297 . 1 1 26 26 LEU HA H 1 4.15 0.02 . 1 . . . . . . . . 5824 1 298 . 1 1 26 26 LEU HB2 H 1 1.60 0.02 . 2 . . . . . . . . 5824 1 299 . 1 1 26 26 LEU HB3 H 1 1.98 0.02 . 2 . . . . . . . . 5824 1 300 . 1 1 26 26 LEU HG H 1 1.94 0.02 . 1 . . . . . . . . 5824 1 301 . 1 1 26 26 LEU HD11 H 1 0.95 0.02 . 2 . . . . . . . . 5824 1 302 . 1 1 26 26 LEU HD12 H 1 0.95 0.02 . 2 . . . . . . . . 5824 1 303 . 1 1 26 26 LEU HD13 H 1 0.95 0.02 . 2 . . . . . . . . 5824 1 304 . 1 1 26 26 LEU HD21 H 1 0.90 0.02 . 2 . . . . . . . . 5824 1 305 . 1 1 26 26 LEU HD22 H 1 0.90 0.02 . 2 . . . . . . . . 5824 1 306 . 1 1 26 26 LEU HD23 H 1 0.90 0.02 . 2 . . . . . . . . 5824 1 307 . 1 1 26 26 LEU CA C 13 57.80 0.10 . 1 . . . . . . . . 5824 1 308 . 1 1 26 26 LEU CB C 13 42.16 0.10 . 1 . . . . . . . . 5824 1 309 . 1 1 26 26 LEU CG C 13 27.19 0.10 . 1 . . . . . . . . 5824 1 310 . 1 1 26 26 LEU CD1 C 13 25.58 0.10 . 2 . . . . . . . . 5824 1 311 . 1 1 26 26 LEU CD2 C 13 22.97 0.10 . 2 . . . . . . . . 5824 1 312 . 1 1 26 26 LEU N N 15 117.04 0.10 . 1 . . . . . . . . 5824 1 313 . 1 1 27 27 GLU H H 1 7.84 0.02 . 1 . . . . . . . . 5824 1 314 . 1 1 27 27 GLU HA H 1 4.55 0.02 . 1 . . . . . . . . 5824 1 315 . 1 1 27 27 GLU HB2 H 1 1.91 0.02 . 2 . . . . . . . . 5824 1 316 . 1 1 27 27 GLU HB3 H 1 2.10 0.02 . 2 . . . . . . . . 5824 1 317 . 1 1 27 27 GLU HG2 H 1 2.21 0.02 . 2 . . . . . . . . 5824 1 318 . 1 1 27 27 GLU HG3 H 1 2.44 0.02 . 2 . . . . . . . . 5824 1 319 . 1 1 27 27 GLU CA C 13 56.61 0.10 . 1 . . . . . . . . 5824 1 320 . 1 1 27 27 GLU CB C 13 30.88 0.10 . 1 . . . . . . . . 5824 1 321 . 1 1 27 27 GLU CG C 13 36.53 0.10 . 1 . . . . . . . . 5824 1 322 . 1 1 27 27 GLU N N 15 116.11 0.10 . 1 . . . . . . . . 5824 1 323 . 1 1 28 28 TYR H H 1 7.93 0.02 . 1 . . . . . . . . 5824 1 324 . 1 1 28 28 TYR HA H 1 3.68 0.02 . 1 . . . . . . . . 5824 1 325 . 1 1 28 28 TYR HB2 H 1 2.36 0.02 . 1 . . . . . . . . 5824 1 326 . 1 1 28 28 TYR HB3 H 1 2.36 0.02 . 1 . . . . . . . . 5824 1 327 . 1 1 28 28 TYR HD1 H 1 5.82 0.02 . 1 . . . . . . . . 5824 1 328 . 1 1 28 28 TYR HD2 H 1 5.82 0.02 . 1 . . . . . . . . 5824 1 329 . 1 1 28 28 TYR HE1 H 1 6.56 0.02 . 1 . . . . . . . . 5824 1 330 . 1 1 28 28 TYR HE2 H 1 6.56 0.02 . 1 . . . . . . . . 5824 1 331 . 1 1 28 28 TYR CA C 13 63.92 0.10 . 1 . . . . . . . . 5824 1 332 . 1 1 28 28 TYR CB C 13 38.94 0.10 . 1 . . . . . . . . 5824 1 333 . 1 1 28 28 TYR CD1 C 13 133.30 0.10 . 1 . . . . . . . . 5824 1 334 . 1 1 28 28 TYR CD2 C 13 133.30 0.10 . 1 . . . . . . . . 5824 1 335 . 1 1 28 28 TYR CE1 C 13 117.74 0.10 . 1 . . . . . . . . 5824 1 336 . 1 1 28 28 TYR CE2 C 13 117.74 0.10 . 1 . . . . . . . . 5824 1 337 . 1 1 28 28 TYR N N 15 120.91 0.10 . 1 . . . . . . . . 5824 1 338 . 1 1 29 29 PHE H H 1 8.34 0.02 . 1 . . . . . . . . 5824 1 339 . 1 1 29 29 PHE HA H 1 4.66 0.02 . 1 . . . . . . . . 5824 1 340 . 1 1 29 29 PHE HB2 H 1 2.85 0.02 . 2 . . . . . . . . 5824 1 341 . 1 1 29 29 PHE HB3 H 1 3.58 0.02 . 2 . . . . . . . . 5824 1 342 . 1 1 29 29 PHE HD1 H 1 7.49 0.02 . 1 . . . . . . . . 5824 1 343 . 1 1 29 29 PHE HD2 H 1 7.49 0.02 . 1 . . . . . . . . 5824 1 344 . 1 1 29 29 PHE HE1 H 1 7.14 0.02 . 1 . . . . . . . . 5824 1 345 . 1 1 29 29 PHE HE2 H 1 7.14 0.02 . 1 . . . . . . . . 5824 1 346 . 1 1 29 29 PHE CA C 13 57.81 0.10 . 1 . . . . . . . . 5824 1 347 . 1 1 29 29 PHE CB C 13 38.54 0.10 . 1 . . . . . . . . 5824 1 348 . 1 1 29 29 PHE CD1 C 13 132.46 0.10 . 1 . . . . . . . . 5824 1 349 . 1 1 29 29 PHE CD2 C 13 132.46 0.10 . 1 . . . . . . . . 5824 1 350 . 1 1 29 29 PHE CE1 C 13 131.60 0.10 . 1 . . . . . . . . 5824 1 351 . 1 1 29 29 PHE CE2 C 13 131.60 0.10 . 1 . . . . . . . . 5824 1 352 . 1 1 29 29 PHE N N 15 111.54 0.10 . 1 . . . . . . . . 5824 1 353 . 1 1 30 30 ASN H H 1 7.81 0.02 . 1 . . . . . . . . 5824 1 354 . 1 1 30 30 ASN HA H 1 4.91 0.02 . 1 . . . . . . . . 5824 1 355 . 1 1 30 30 ASN HB2 H 1 2.93 0.02 . 2 . . . . . . . . 5824 1 356 . 1 1 30 30 ASN HB3 H 1 3.15 0.02 . 2 . . . . . . . . 5824 1 357 . 1 1 30 30 ASN HD21 H 1 7.76 0.02 . 1 . . . . . . . . 5824 1 358 . 1 1 30 30 ASN HD22 H 1 6.92 0.02 . 1 . . . . . . . . 5824 1 359 . 1 1 30 30 ASN CA C 13 52.67 0.10 . 1 . . . . . . . . 5824 1 360 . 1 1 30 30 ASN CB C 13 38.58 0.10 . 1 . . . . . . . . 5824 1 361 . 1 1 30 30 ASN N N 15 120.06 0.10 . 1 . . . . . . . . 5824 1 362 . 1 1 30 30 ASN ND2 N 15 111.42 0.10 . 1 . . . . . . . . 5824 1 363 . 1 1 31 31 THR HB H 1 4.33 0.02 . 1 . . . . . . . . 5824 1 364 . 1 1 31 31 THR HA H 1 4.16 0.02 . 1 . . . . . . . . 5824 1 365 . 1 1 31 31 THR HG21 H 1 1.32 0.02 . 1 . . . . . . . . 5824 1 366 . 1 1 31 31 THR HG22 H 1 1.32 0.02 . 1 . . . . . . . . 5824 1 367 . 1 1 31 31 THR HG23 H 1 1.32 0.02 . 1 . . . . . . . . 5824 1 368 . 1 1 31 31 THR CA C 13 64.03 0.10 . 1 . . . . . . . . 5824 1 369 . 1 1 31 31 THR CB C 13 69.08 0.10 . 1 . . . . . . . . 5824 1 370 . 1 1 31 31 THR CG2 C 13 21.98 0.10 . 1 . . . . . . . . 5824 1 371 . 1 1 32 32 ASP H H 1 8.29 0.02 . 1 . . . . . . . . 5824 1 372 . 1 1 32 32 ASP HA H 1 4.68 0.02 . 1 . . . . . . . . 5824 1 373 . 1 1 32 32 ASP HB2 H 1 2.69 0.02 . 2 . . . . . . . . 5824 1 374 . 1 1 32 32 ASP HB3 H 1 2.78 0.02 . 2 . . . . . . . . 5824 1 375 . 1 1 32 32 ASP CA C 13 54.64 0.10 . 1 . . . . . . . . 5824 1 376 . 1 1 32 32 ASP CB C 13 41.15 0.10 . 1 . . . . . . . . 5824 1 377 . 1 1 32 32 ASP N N 15 120.37 0.10 . 1 . . . . . . . . 5824 1 378 . 1 1 33 33 ALA H H 1 7.57 0.02 . 1 . . . . . . . . 5824 1 379 . 1 1 33 33 ALA HA H 1 4.35 0.02 . 1 . . . . . . . . 5824 1 380 . 1 1 33 33 ALA HB1 H 1 1.48 0.02 . 1 . . . . . . . . 5824 1 381 . 1 1 33 33 ALA HB2 H 1 1.48 0.02 . 1 . . . . . . . . 5824 1 382 . 1 1 33 33 ALA HB3 H 1 1.48 0.02 . 1 . . . . . . . . 5824 1 383 . 1 1 33 33 ALA CA C 13 52.36 0.10 . 1 . . . . . . . . 5824 1 384 . 1 1 33 33 ALA CB C 13 20.33 0.10 . 1 . . . . . . . . 5824 1 385 . 1 1 33 33 ALA N N 15 122.13 0.10 . 1 . . . . . . . . 5824 1 386 . 1 1 34 34 LYS H H 1 8.49 0.02 . 1 . . . . . . . . 5824 1 387 . 1 1 34 34 LYS HA H 1 4.52 0.02 . 1 . . . . . . . . 5824 1 388 . 1 1 34 34 LYS HB2 H 1 1.79 0.02 . 2 . . . . . . . . 5824 1 389 . 1 1 34 34 LYS HB3 H 1 1.87 0.02 . 2 . . . . . . . . 5824 1 390 . 1 1 34 34 LYS HG2 H 1 1.41 0.02 . 2 . . . . . . . . 5824 1 391 . 1 1 34 34 LYS HG3 H 1 1.47 0.02 . 2 . . . . . . . . 5824 1 392 . 1 1 34 34 LYS HD2 H 1 1.71 0.02 . 1 . . . . . . . . 5824 1 393 . 1 1 34 34 LYS HD3 H 1 1.71 0.02 . 1 . . . . . . . . 5824 1 394 . 1 1 34 34 LYS HE2 H 1 3.01 0.02 . 1 . . . . . . . . 5824 1 395 . 1 1 34 34 LYS HE3 H 1 3.01 0.02 . 1 . . . . . . . . 5824 1 396 . 1 1 34 34 LYS CA C 13 55.48 0.10 . 1 . . . . . . . . 5824 1 397 . 1 1 34 34 LYS CB C 13 30.91 0.10 . 1 . . . . . . . . 5824 1 398 . 1 1 34 34 LYS CG C 13 24.60 0.10 . 1 . . . . . . . . 5824 1 399 . 1 1 34 34 LYS CD C 13 29.07 0.10 . 1 . . . . . . . . 5824 1 400 . 1 1 34 34 LYS CE C 13 42.39 0.10 . 1 . . . . . . . . 5824 1 401 . 1 1 34 34 LYS N N 15 121.47 0.10 . 1 . . . . . . . . 5824 1 402 . 1 1 35 35 VAL H H 1 7.82 0.02 . 1 . . . . . . . . 5824 1 403 . 1 1 35 35 VAL HA H 1 3.90 0.02 . 1 . . . . . . . . 5824 1 404 . 1 1 35 35 VAL HB H 1 2.03 0.02 . 1 . . . . . . . . 5824 1 405 . 1 1 35 35 VAL HG11 H 1 0.88 0.02 . 2 . . . . . . . . 5824 1 406 . 1 1 35 35 VAL HG12 H 1 0.88 0.02 . 2 . . . . . . . . 5824 1 407 . 1 1 35 35 VAL HG13 H 1 0.88 0.02 . 2 . . . . . . . . 5824 1 408 . 1 1 35 35 VAL HG21 H 1 1.08 0.02 . 2 . . . . . . . . 5824 1 409 . 1 1 35 35 VAL HG22 H 1 1.08 0.02 . 2 . . . . . . . . 5824 1 410 . 1 1 35 35 VAL HG23 H 1 1.08 0.02 . 2 . . . . . . . . 5824 1 411 . 1 1 35 35 VAL CA C 13 64.87 0.10 . 1 . . . . . . . . 5824 1 412 . 1 1 35 35 VAL CB C 13 32.24 0.10 . 1 . . . . . . . . 5824 1 413 . 1 1 35 35 VAL CG1 C 13 20.78 0.10 . 2 . . . . . . . . 5824 1 414 . 1 1 35 35 VAL CG2 C 13 23.80 0.10 . 2 . . . . . . . . 5824 1 415 . 1 1 35 35 VAL N N 15 120.01 0.10 . 1 . . . . . . . . 5824 1 416 . 1 1 36 36 ASN H H 1 8.51 0.02 . 1 . . . . . . . . 5824 1 417 . 1 1 36 36 ASN HA H 1 4.22 0.02 . 1 . . . . . . . . 5824 1 418 . 1 1 36 36 ASN HB2 H 1 2.79 0.02 . 2 . . . . . . . . 5824 1 419 . 1 1 36 36 ASN HB3 H 1 2.83 0.02 . 2 . . . . . . . . 5824 1 420 . 1 1 36 36 ASN HD21 H 1 7.62 0.02 . 1 . . . . . . . . 5824 1 421 . 1 1 36 36 ASN HD22 H 1 6.92 0.02 . 1 . . . . . . . . 5824 1 422 . 1 1 36 36 ASN CA C 13 57.01 0.10 . 1 . . . . . . . . 5824 1 423 . 1 1 36 36 ASN CB C 13 37.26 0.10 . 1 . . . . . . . . 5824 1 424 . 1 1 36 36 ASN N N 15 120.17 0.10 . 1 . . . . . . . . 5824 1 425 . 1 1 36 36 ASN ND2 N 15 112.91 0.10 . 1 . . . . . . . . 5824 1 426 . 1 1 37 37 GLU H H 1 7.94 0.02 . 1 . . . . . . . . 5824 1 427 . 1 1 37 37 GLU HA H 1 4.16 0.02 . 1 . . . . . . . . 5824 1 428 . 1 1 37 37 GLU HB2 H 1 2.13 0.02 . 1 . . . . . . . . 5824 1 429 . 1 1 37 37 GLU HB3 H 1 2.13 0.02 . 1 . . . . . . . . 5824 1 430 . 1 1 37 37 GLU HG2 H 1 2.36 0.02 . 1 . . . . . . . . 5824 1 431 . 1 1 37 37 GLU HG3 H 1 2.36 0.02 . 1 . . . . . . . . 5824 1 432 . 1 1 37 37 GLU CA C 13 59.45 0.10 . 1 . . . . . . . . 5824 1 433 . 1 1 37 37 GLU CB C 13 29.60 0.10 . 1 . . . . . . . . 5824 1 434 . 1 1 37 37 GLU CG C 13 36.86 0.10 . 1 . . . . . . . . 5824 1 435 . 1 1 37 37 GLU N N 15 119.27 0.10 . 1 . . . . . . . . 5824 1 436 . 1 1 38 38 ARG H H 1 7.38 0.02 . 1 . . . . . . . . 5824 1 437 . 1 1 38 38 ARG HA H 1 4.34 0.02 . 1 . . . . . . . . 5824 1 438 . 1 1 38 38 ARG HB2 H 1 1.81 0.02 . 2 . . . . . . . . 5824 1 439 . 1 1 38 38 ARG HB3 H 1 2.07 0.02 . 2 . . . . . . . . 5824 1 440 . 1 1 38 38 ARG HG2 H 1 1.74 0.02 . 1 . . . . . . . . 5824 1 441 . 1 1 38 38 ARG HG3 H 1 1.74 0.02 . 1 . . . . . . . . 5824 1 442 . 1 1 38 38 ARG HD2 H 1 3.12 0.02 . 2 . . . . . . . . 5824 1 443 . 1 1 38 38 ARG HD3 H 1 3.32 0.02 . 2 . . . . . . . . 5824 1 444 . 1 1 38 38 ARG CA C 13 57.95 0.10 . 1 . . . . . . . . 5824 1 445 . 1 1 38 38 ARG CB C 13 31.03 0.10 . 1 . . . . . . . . 5824 1 446 . 1 1 38 38 ARG CG C 13 27.04 0.10 . 1 . . . . . . . . 5824 1 447 . 1 1 38 38 ARG CD C 13 43.11 0.10 . 1 . . . . . . . . 5824 1 448 . 1 1 38 38 ARG N N 15 119.60 0.10 . 1 . . . . . . . . 5824 1 449 . 1 1 39 39 ILE H H 1 8.26 0.02 . 1 . . . . . . . . 5824 1 450 . 1 1 39 39 ILE HA H 1 3.61 0.02 . 1 . . . . . . . . 5824 1 451 . 1 1 39 39 ILE HB H 1 1.83 0.02 . 1 . . . . . . . . 5824 1 452 . 1 1 39 39 ILE HG12 H 1 0.80 0.02 . 2 . . . . . . . . 5824 1 453 . 1 1 39 39 ILE HG13 H 1 1.87 0.02 . 2 . . . . . . . . 5824 1 454 . 1 1 39 39 ILE HG21 H 1 0.65 0.02 . 1 . . . . . . . . 5824 1 455 . 1 1 39 39 ILE HG22 H 1 0.65 0.02 . 1 . . . . . . . . 5824 1 456 . 1 1 39 39 ILE HG23 H 1 0.65 0.02 . 1 . . . . . . . . 5824 1 457 . 1 1 39 39 ILE HD11 H 1 0.82 0.02 . 1 . . . . . . . . 5824 1 458 . 1 1 39 39 ILE HD12 H 1 0.82 0.02 . 1 . . . . . . . . 5824 1 459 . 1 1 39 39 ILE HD13 H 1 0.82 0.02 . 1 . . . . . . . . 5824 1 460 . 1 1 39 39 ILE CA C 13 66.83 0.10 . 1 . . . . . . . . 5824 1 461 . 1 1 39 39 ILE CB C 13 37.74 0.10 . 1 . . . . . . . . 5824 1 462 . 1 1 39 39 ILE CG1 C 13 30.41 0.10 . 1 . . . . . . . . 5824 1 463 . 1 1 39 39 ILE CG2 C 13 17.01 0.10 . 1 . . . . . . . . 5824 1 464 . 1 1 39 39 ILE CD1 C 13 13.17 0.10 . 1 . . . . . . . . 5824 1 465 . 1 1 39 39 ILE N N 15 120.07 0.10 . 1 . . . . . . . . 5824 1 466 . 1 1 40 40 ASP H H 1 7.99 0.02 . 1 . . . . . . . . 5824 1 467 . 1 1 40 40 ASP HA H 1 4.54 0.02 . 1 . . . . . . . . 5824 1 468 . 1 1 40 40 ASP HB2 H 1 2.73 0.02 . 2 . . . . . . . . 5824 1 469 . 1 1 40 40 ASP HB3 H 1 2.91 0.02 . 2 . . . . . . . . 5824 1 470 . 1 1 40 40 ASP CA C 13 57.96 0.10 . 1 . . . . . . . . 5824 1 471 . 1 1 40 40 ASP CB C 13 40.24 0.10 . 1 . . . . . . . . 5824 1 472 . 1 1 40 40 ASP N N 15 119.48 0.10 . 1 . . . . . . . . 5824 1 473 . 1 1 41 41 GLU H H 1 7.99 0.02 . 1 . . . . . . . . 5824 1 474 . 1 1 41 41 GLU HA H 1 4.10 0.02 . 1 . . . . . . . . 5824 1 475 . 1 1 41 41 GLU HB2 H 1 2.23 0.02 . 1 . . . . . . . . 5824 1 476 . 1 1 41 41 GLU HB3 H 1 2.23 0.02 . 1 . . . . . . . . 5824 1 477 . 1 1 41 41 GLU HG2 H 1 2.19 0.02 . 2 . . . . . . . . 5824 1 478 . 1 1 41 41 GLU HG3 H 1 2.46 0.02 . 2 . . . . . . . . 5824 1 479 . 1 1 41 41 GLU CA C 13 59.88 0.10 . 1 . . . . . . . . 5824 1 480 . 1 1 41 41 GLU CB C 13 29.59 0.10 . 1 . . . . . . . . 5824 1 481 . 1 1 41 41 GLU CG C 13 36.23 0.10 . 1 . . . . . . . . 5824 1 482 . 1 1 41 41 GLU N N 15 122.82 0.10 . 1 . . . . . . . . 5824 1 483 . 1 1 42 42 PHE H H 1 8.44 0.02 . 1 . . . . . . . . 5824 1 484 . 1 1 42 42 PHE HA H 1 3.82 0.02 . 1 . . . . . . . . 5824 1 485 . 1 1 42 42 PHE HB2 H 1 3.25 0.02 . 1 . . . . . . . . 5824 1 486 . 1 1 42 42 PHE HB3 H 1 3.54 0.02 . 1 . . . . . . . . 5824 1 487 . 1 1 42 42 PHE HD1 H 1 7.20 0.02 . 1 . . . . . . . . 5824 1 488 . 1 1 42 42 PHE HD2 H 1 7.20 0.02 . 1 . . . . . . . . 5824 1 489 . 1 1 42 42 PHE CA C 13 62.47 0.10 . 1 . . . . . . . . 5824 1 490 . 1 1 42 42 PHE CB C 13 40.16 0.10 . 1 . . . . . . . . 5824 1 491 . 1 1 42 42 PHE CD1 C 13 132.21 0.10 . 1 . . . . . . . . 5824 1 492 . 1 1 42 42 PHE CD2 C 13 132.21 0.10 . 1 . . . . . . . . 5824 1 493 . 1 1 42 42 PHE N N 15 119.01 0.10 . 1 . . . . . . . . 5824 1 494 . 1 1 43 43 VAL H H 1 9.22 0.02 . 1 . . . . . . . . 5824 1 495 . 1 1 43 43 VAL HA H 1 3.65 0.02 . 1 . . . . . . . . 5824 1 496 . 1 1 43 43 VAL HB H 1 2.37 0.02 . 1 . . . . . . . . 5824 1 497 . 1 1 43 43 VAL HG21 H 1 1.30 0.02 . 2 . . . . . . . . 5824 1 498 . 1 1 43 43 VAL HG22 H 1 1.30 0.02 . 2 . . . . . . . . 5824 1 499 . 1 1 43 43 VAL HG23 H 1 1.30 0.02 . 2 . . . . . . . . 5824 1 500 . 1 1 43 43 VAL HG11 H 1 1.08 0.02 . 2 . . . . . . . . 5824 1 501 . 1 1 43 43 VAL HG12 H 1 1.08 0.02 . 2 . . . . . . . . 5824 1 502 . 1 1 43 43 VAL HG13 H 1 1.08 0.02 . 2 . . . . . . . . 5824 1 503 . 1 1 43 43 VAL CA C 13 66.85 0.10 . 1 . . . . . . . . 5824 1 504 . 1 1 43 43 VAL CB C 13 31.48 0.10 . 1 . . . . . . . . 5824 1 505 . 1 1 43 43 VAL CG1 C 13 22.72 0.10 . 2 . . . . . . . . 5824 1 506 . 1 1 43 43 VAL CG2 C 13 23.61 0.10 . 2 . . . . . . . . 5824 1 507 . 1 1 43 43 VAL N N 15 116.11 0.10 . 1 . . . . . . . . 5824 1 508 . 1 1 44 44 SER H H 1 8.27 0.02 . 1 . . . . . . . . 5824 1 509 . 1 1 44 44 SER HA H 1 4.05 0.02 . 1 . . . . . . . . 5824 1 510 . 1 1 44 44 SER HB2 H 1 4.07 0.02 . 2 . . . . . . . . 5824 1 511 . 1 1 44 44 SER HB3 H 1 4.16 0.02 . 2 . . . . . . . . 5824 1 512 . 1 1 44 44 SER CA C 13 63.02 0.10 . 1 . . . . . . . . 5824 1 513 . 1 1 44 44 SER CB C 13 62.99 0.10 . 1 . . . . . . . . 5824 1 514 . 1 1 44 44 SER N N 15 115.08 0.10 . 1 . . . . . . . . 5824 1 515 . 1 1 45 45 LYS H H 1 7.73 0.02 . 1 . . . . . . . . 5824 1 516 . 1 1 45 45 LYS HA H 1 4.16 0.02 . 1 . . . . . . . . 5824 1 517 . 1 1 45 45 LYS HB2 H 1 1.69 0.02 . 2 . . . . . . . . 5824 1 518 . 1 1 45 45 LYS HB3 H 1 1.82 0.02 . 2 . . . . . . . . 5824 1 519 . 1 1 45 45 LYS HD2 H 1 1.43 0.02 . 2 . . . . . . . . 5824 1 520 . 1 1 45 45 LYS HD3 H 1 1.57 0.02 . 2 . . . . . . . . 5824 1 521 . 1 1 45 45 LYS HG2 H 1 1.42 0.02 . 2 . . . . . . . . 5824 1 522 . 1 1 45 45 LYS HG3 H 1 1.73 0.02 . 2 . . . . . . . . 5824 1 523 . 1 1 45 45 LYS HE2 H 1 2.99 0.02 . 1 . . . . . . . . 5824 1 524 . 1 1 45 45 LYS HE3 H 1 2.99 0.02 . 1 . . . . . . . . 5824 1 525 . 1 1 45 45 LYS CA C 13 60.02 0.10 . 1 . . . . . . . . 5824 1 526 . 1 1 45 45 LYS CB C 13 33.06 0.10 . 1 . . . . . . . . 5824 1 527 . 1 1 45 45 LYS CG C 13 26.90 0.10 . 1 . . . . . . . . 5824 1 528 . 1 1 45 45 LYS CD C 13 29.47 0.10 . 1 . . . . . . . . 5824 1 529 . 1 1 45 45 LYS CE C 13 42.19 0.10 . 1 . . . . . . . . 5824 1 530 . 1 1 45 45 LYS N N 15 120.85 0.10 . 1 . . . . . . . . 5824 1 531 . 1 1 46 46 ALA H H 1 8.77 0.02 . 1 . . . . . . . . 5824 1 532 . 1 1 46 46 ALA HA H 1 3.81 0.02 . 1 . . . . . . . . 5824 1 533 . 1 1 46 46 ALA HB1 H 1 1.15 0.02 . 1 . . . . . . . . 5824 1 534 . 1 1 46 46 ALA HB2 H 1 1.15 0.02 . 1 . . . . . . . . 5824 1 535 . 1 1 46 46 ALA HB3 H 1 1.15 0.02 . 1 . . . . . . . . 5824 1 536 . 1 1 46 46 ALA CA C 13 55.08 0.10 . 1 . . . . . . . . 5824 1 537 . 1 1 46 46 ALA CB C 13 18.21 0.10 . 1 . . . . . . . . 5824 1 538 . 1 1 46 46 ALA N N 15 121.58 0.10 . 1 . . . . . . . . 5824 1 539 . 1 1 47 47 PHE H H 1 8.84 0.02 . 1 . . . . . . . . 5824 1 540 . 1 1 47 47 PHE HA H 1 4.26 0.02 . 1 . . . . . . . . 5824 1 541 . 1 1 47 47 PHE HB2 H 1 3.11 0.02 . 1 . . . . . . . . 5824 1 542 . 1 1 47 47 PHE HB3 H 1 3.11 0.02 . 1 . . . . . . . . 5824 1 543 . 1 1 47 47 PHE HD1 H 1 6.73 0.02 . 1 . . . . . . . . 5824 1 544 . 1 1 47 47 PHE HD2 H 1 6.73 0.02 . 1 . . . . . . . . 5824 1 545 . 1 1 47 47 PHE HE1 H 1 7.21 0.02 . 1 . . . . . . . . 5824 1 546 . 1 1 47 47 PHE HE2 H 1 7.21 0.02 . 1 . . . . . . . . 5824 1 547 . 1 1 47 47 PHE CA C 13 61.49 0.10 . 1 . . . . . . . . 5824 1 548 . 1 1 47 47 PHE CB C 13 39.92 0.10 . 1 . . . . . . . . 5824 1 549 . 1 1 47 47 PHE CD1 C 13 131.82 0.10 . 1 . . . . . . . . 5824 1 550 . 1 1 47 47 PHE CD2 C 13 131.82 0.10 . 1 . . . . . . . . 5824 1 551 . 1 1 47 47 PHE CE1 C 13 131.44 0.10 . 1 . . . . . . . . 5824 1 552 . 1 1 47 47 PHE CE2 C 13 131.44 0.10 . 1 . . . . . . . . 5824 1 553 . 1 1 47 47 PHE N N 15 119.31 0.10 . 1 . . . . . . . . 5824 1 554 . 1 1 48 48 PHE H H 1 8.10 0.02 . 1 . . . . . . . . 5824 1 555 . 1 1 48 48 PHE HA H 1 4.18 0.02 . 1 . . . . . . . . 5824 1 556 . 1 1 48 48 PHE HB2 H 1 3.30 0.02 . 1 . . . . . . . . 5824 1 557 . 1 1 48 48 PHE HB3 H 1 3.30 0.02 . 1 . . . . . . . . 5824 1 558 . 1 1 48 48 PHE HD1 H 1 7.46 0.02 . 1 . . . . . . . . 5824 1 559 . 1 1 48 48 PHE HD2 H 1 7.46 0.02 . 1 . . . . . . . . 5824 1 560 . 1 1 48 48 PHE CA C 13 61.18 0.10 . 1 . . . . . . . . 5824 1 561 . 1 1 48 48 PHE CB C 13 38.71 0.10 . 1 . . . . . . . . 5824 1 562 . 1 1 48 48 PHE CD1 C 13 131.95 0.10 . 1 . . . . . . . . 5824 1 563 . 1 1 48 48 PHE CD2 C 13 131.95 0.10 . 1 . . . . . . . . 5824 1 564 . 1 1 48 48 PHE N N 15 119.70 0.10 . 1 . . . . . . . . 5824 1 565 . 1 1 49 49 ALA H H 1 7.64 0.02 . 1 . . . . . . . . 5824 1 566 . 1 1 49 49 ALA HA H 1 4.18 0.02 . 1 . . . . . . . . 5824 1 567 . 1 1 49 49 ALA HB1 H 1 1.43 0.02 . 1 . . . . . . . . 5824 1 568 . 1 1 49 49 ALA HB2 H 1 1.43 0.02 . 1 . . . . . . . . 5824 1 569 . 1 1 49 49 ALA HB3 H 1 1.43 0.02 . 1 . . . . . . . . 5824 1 570 . 1 1 49 49 ALA CA C 13 52.07 0.10 . 1 . . . . . . . . 5824 1 571 . 1 1 49 49 ALA CB C 13 20.08 0.10 . 1 . . . . . . . . 5824 1 572 . 1 1 49 49 ALA N N 15 118.34 0.10 . 1 . . . . . . . . 5824 1 573 . 1 1 50 50 ASP H H 1 7.85 0.02 . 1 . . . . . . . . 5824 1 574 . 1 1 50 50 ASP HA H 1 4.47 0.02 . 1 . . . . . . . . 5824 1 575 . 1 1 50 50 ASP HB2 H 1 2.05 0.02 . 2 . . . . . . . . 5824 1 576 . 1 1 50 50 ASP HB3 H 1 3.10 0.02 . 2 . . . . . . . . 5824 1 577 . 1 1 50 50 ASP CA C 13 54.89 0.10 . 1 . . . . . . . . 5824 1 578 . 1 1 50 50 ASP CB C 13 40.03 0.10 . 1 . . . . . . . . 5824 1 579 . 1 1 50 50 ASP N N 15 118.01 0.10 . 1 . . . . . . . . 5824 1 580 . 1 1 51 51 ILE H H 1 7.28 0.02 . 1 . . . . . . . . 5824 1 581 . 1 1 51 51 ILE HA H 1 4.22 0.02 . 1 . . . . . . . . 5824 1 582 . 1 1 51 51 ILE HB H 1 1.89 0.02 . 1 . . . . . . . . 5824 1 583 . 1 1 51 51 ILE HG12 H 1 1.24 0.02 . 2 . . . . . . . . 5824 1 584 . 1 1 51 51 ILE HG13 H 1 1.44 0.02 . 2 . . . . . . . . 5824 1 585 . 1 1 51 51 ILE HG21 H 1 0.86 0.02 . 1 . . . . . . . . 5824 1 586 . 1 1 51 51 ILE HG22 H 1 0.86 0.02 . 1 . . . . . . . . 5824 1 587 . 1 1 51 51 ILE HG23 H 1 0.86 0.02 . 1 . . . . . . . . 5824 1 588 . 1 1 51 51 ILE HD11 H 1 0.66 0.02 . 1 . . . . . . . . 5824 1 589 . 1 1 51 51 ILE HD12 H 1 0.66 0.02 . 1 . . . . . . . . 5824 1 590 . 1 1 51 51 ILE HD13 H 1 0.66 0.02 . 1 . . . . . . . . 5824 1 591 . 1 1 51 51 ILE CA C 13 59.66 0.10 . 1 . . . . . . . . 5824 1 592 . 1 1 51 51 ILE CB C 13 37.50 0.10 . 1 . . . . . . . . 5824 1 593 . 1 1 51 51 ILE CG1 C 13 26.90 0.10 . 1 . . . . . . . . 5824 1 594 . 1 1 51 51 ILE CG2 C 13 17.90 0.10 . 1 . . . . . . . . 5824 1 595 . 1 1 51 51 ILE CD1 C 13 11.70 0.10 . 1 . . . . . . . . 5824 1 596 . 1 1 51 51 ILE N N 15 113.95 0.10 . 1 . . . . . . . . 5824 1 597 . 1 1 52 52 SER H H 1 8.56 0.02 . 1 . . . . . . . . 5824 1 598 . 1 1 52 52 SER HA H 1 4.59 0.02 . 1 . . . . . . . . 5824 1 599 . 1 1 52 52 SER HB2 H 1 3.86 0.02 . 2 . . . . . . . . 5824 1 600 . 1 1 52 52 SER HB3 H 1 4.35 0.02 . 2 . . . . . . . . 5824 1 601 . 1 1 52 52 SER CA C 13 56.95 0.10 . 1 . . . . . . . . 5824 1 602 . 1 1 52 52 SER CB C 13 65.63 0.10 . 1 . . . . . . . . 5824 1 603 . 1 1 52 52 SER N N 15 119.50 0.10 . 1 . . . . . . . . 5824 1 604 . 1 1 53 53 VAL H H 1 8.90 0.02 . 1 . . . . . . . . 5824 1 605 . 1 1 53 53 VAL HA H 1 3.66 0.02 . 1 . . . . . . . . 5824 1 606 . 1 1 53 53 VAL HB H 1 2.28 0.02 . 1 . . . . . . . . 5824 1 607 . 1 1 53 53 VAL HG11 H 1 1.31 0.02 . 2 . . . . . . . . 5824 1 608 . 1 1 53 53 VAL HG12 H 1 1.31 0.02 . 2 . . . . . . . . 5824 1 609 . 1 1 53 53 VAL HG13 H 1 1.31 0.02 . 2 . . . . . . . . 5824 1 610 . 1 1 53 53 VAL HG21 H 1 1.11 0.02 . 2 . . . . . . . . 5824 1 611 . 1 1 53 53 VAL HG22 H 1 1.11 0.02 . 2 . . . . . . . . 5824 1 612 . 1 1 53 53 VAL HG23 H 1 1.11 0.02 . 2 . . . . . . . . 5824 1 613 . 1 1 53 53 VAL CA C 13 67.21 0.10 . 1 . . . . . . . . 5824 1 614 . 1 1 53 53 VAL CB C 13 31.30 0.10 . 1 . . . . . . . . 5824 1 615 . 1 1 53 53 VAL CG1 C 13 24.30 0.10 . 2 . . . . . . . . 5824 1 616 . 1 1 53 53 VAL CG2 C 13 21.99 0.10 . 2 . . . . . . . . 5824 1 617 . 1 1 53 53 VAL N N 15 122.38 0.10 . 1 . . . . . . . . 5824 1 618 . 1 1 54 54 SER HA H 1 3.89 0.02 . 1 . . . . . . . . 5824 1 619 . 1 1 54 54 SER HB2 H 1 4.07 0.02 . 1 . . . . . . . . 5824 1 620 . 1 1 54 54 SER HB3 H 1 4.07 0.02 . 1 . . . . . . . . 5824 1 621 . 1 1 54 54 SER CA C 13 62.28 0.10 . 1 . . . . . . . . 5824 1 622 . 1 1 54 54 SER CB C 13 62.09 0.10 . 1 . . . . . . . . 5824 1 623 . 1 1 55 55 GLN H H 1 7.65 0.02 . 1 . . . . . . . . 5824 1 624 . 1 1 55 55 GLN HA H 1 4.22 0.02 . 1 . . . . . . . . 5824 1 625 . 1 1 55 55 GLN HB2 H 1 2.02 0.02 . 2 . . . . . . . . 5824 1 626 . 1 1 55 55 GLN HB3 H 1 2.48 0.02 . 2 . . . . . . . . 5824 1 627 . 1 1 55 55 GLN HG2 H 1 2.39 0.02 . 1 . . . . . . . . 5824 1 628 . 1 1 55 55 GLN HG3 H 1 2.39 0.02 . 1 . . . . . . . . 5824 1 629 . 1 1 55 55 GLN HE21 H 1 7.58 0.02 . 1 . . . . . . . . 5824 1 630 . 1 1 55 55 GLN HE22 H 1 6.75 0.02 . 1 . . . . . . . . 5824 1 631 . 1 1 55 55 GLN CA C 13 58.93 0.10 . 1 . . . . . . . . 5824 1 632 . 1 1 55 55 GLN CB C 13 29.48 0.10 . 1 . . . . . . . . 5824 1 633 . 1 1 55 55 GLN CG C 13 35.97 0.10 . 1 . . . . . . . . 5824 1 634 . 1 1 55 55 GLN N N 15 121.31 0.10 . 1 . . . . . . . . 5824 1 635 . 1 1 55 55 GLN NE2 N 15 112.25 0.10 . 1 . . . . . . . . 5824 1 636 . 1 1 56 56 VAL H H 1 7.59 0.02 . 1 . . . . . . . . 5824 1 637 . 1 1 56 56 VAL HA H 1 3.51 0.02 . 1 . . . . . . . . 5824 1 638 . 1 1 56 56 VAL HB H 1 2.35 0.02 . 1 . . . . . . . . 5824 1 639 . 1 1 56 56 VAL HG11 H 1 0.80 0.02 . 2 . . . . . . . . 5824 1 640 . 1 1 56 56 VAL HG12 H 1 0.80 0.02 . 2 . . . . . . . . 5824 1 641 . 1 1 56 56 VAL HG13 H 1 0.80 0.02 . 2 . . . . . . . . 5824 1 642 . 1 1 56 56 VAL HG21 H 1 1.08 0.02 . 2 . . . . . . . . 5824 1 643 . 1 1 56 56 VAL HG22 H 1 1.08 0.02 . 2 . . . . . . . . 5824 1 644 . 1 1 56 56 VAL HG23 H 1 1.08 0.02 . 2 . . . . . . . . 5824 1 645 . 1 1 56 56 VAL CA C 13 67.17 0.10 . 1 . . . . . . . . 5824 1 646 . 1 1 56 56 VAL CB C 13 30.96 0.10 . 1 . . . . . . . . 5824 1 647 . 1 1 56 56 VAL CG1 C 13 21.30 0.10 . 2 . . . . . . . . 5824 1 648 . 1 1 56 56 VAL CG2 C 13 22.76 0.10 . 2 . . . . . . . . 5824 1 649 . 1 1 56 56 VAL N N 15 121.02 0.10 . 1 . . . . . . . . 5824 1 650 . 1 1 57 57 LEU H H 1 8.05 0.02 . 1 . . . . . . . . 5824 1 651 . 1 1 57 57 LEU HA H 1 3.89 0.02 . 1 . . . . . . . . 5824 1 652 . 1 1 57 57 LEU HB2 H 1 1.70 0.02 . 2 . . . . . . . . 5824 1 653 . 1 1 57 57 LEU HB3 H 1 1.86 0.02 . 2 . . . . . . . . 5824 1 654 . 1 1 57 57 LEU HG H 1 1.76 0.02 . 1 . . . . . . . . 5824 1 655 . 1 1 57 57 LEU HD11 H 1 0.85 0.02 . 2 . . . . . . . . 5824 1 656 . 1 1 57 57 LEU HD12 H 1 0.85 0.02 . 2 . . . . . . . . 5824 1 657 . 1 1 57 57 LEU HD13 H 1 0.85 0.02 . 2 . . . . . . . . 5824 1 658 . 1 1 57 57 LEU HD21 H 1 0.82 0.02 . 2 . . . . . . . . 5824 1 659 . 1 1 57 57 LEU HD22 H 1 0.82 0.02 . 2 . . . . . . . . 5824 1 660 . 1 1 57 57 LEU HD23 H 1 0.82 0.02 . 2 . . . . . . . . 5824 1 661 . 1 1 57 57 LEU CA C 13 59.04 0.10 . 1 . . . . . . . . 5824 1 662 . 1 1 57 57 LEU CB C 13 41.16 0.10 . 1 . . . . . . . . 5824 1 663 . 1 1 57 57 LEU CG C 13 27.96 0.10 . 1 . . . . . . . . 5824 1 664 . 1 1 57 57 LEU CD1 C 13 25.03 0.10 . 2 . . . . . . . . 5824 1 665 . 1 1 57 57 LEU CD2 C 13 24.41 0.10 . 2 . . . . . . . . 5824 1 666 . 1 1 57 57 LEU N N 15 119.19 0.10 . 1 . . . . . . . . 5824 1 667 . 1 1 58 58 GLU H H 1 7.71 0.02 . 1 . . . . . . . . 5824 1 668 . 1 1 58 58 GLU HA H 1 3.98 0.02 . 1 . . . . . . . . 5824 1 669 . 1 1 58 58 GLU HB2 H 1 2.10 0.02 . 2 . . . . . . . . 5824 1 670 . 1 1 58 58 GLU HB3 H 1 2.18 0.02 . 2 . . . . . . . . 5824 1 671 . 1 1 58 58 GLU HG2 H 1 2.21 0.02 . 2 . . . . . . . . 5824 1 672 . 1 1 58 58 GLU HG3 H 1 2.49 0.02 . 2 . . . . . . . . 5824 1 673 . 1 1 58 58 GLU CA C 13 59.98 0.10 . 1 . . . . . . . . 5824 1 674 . 1 1 58 58 GLU CB C 13 30.06 0.10 . 1 . . . . . . . . 5824 1 675 . 1 1 58 58 GLU CG C 13 36.76 0.10 . 1 . . . . . . . . 5824 1 676 . 1 1 58 58 GLU N N 15 117.42 0.10 . 1 . . . . . . . . 5824 1 677 . 1 1 59 59 ILE H H 1 7.55 0.02 . 1 . . . . . . . . 5824 1 678 . 1 1 59 59 ILE HA H 1 3.69 0.02 . 1 . . . . . . . . 5824 1 679 . 1 1 59 59 ILE HB H 1 1.92 0.02 . 1 . . . . . . . . 5824 1 680 . 1 1 59 59 ILE HG12 H 1 1.03 0.02 . 2 . . . . . . . . 5824 1 681 . 1 1 59 59 ILE HG13 H 1 2.00 0.02 . 2 . . . . . . . . 5824 1 682 . 1 1 59 59 ILE HG21 H 1 0.79 0.02 . 1 . . . . . . . . 5824 1 683 . 1 1 59 59 ILE HG22 H 1 0.79 0.02 . 1 . . . . . . . . 5824 1 684 . 1 1 59 59 ILE HG23 H 1 0.79 0.02 . 1 . . . . . . . . 5824 1 685 . 1 1 59 59 ILE HD11 H 1 0.85 0.02 . 1 . . . . . . . . 5824 1 686 . 1 1 59 59 ILE HD12 H 1 0.85 0.02 . 1 . . . . . . . . 5824 1 687 . 1 1 59 59 ILE HD13 H 1 0.85 0.02 . 1 . . . . . . . . 5824 1 688 . 1 1 59 59 ILE CA C 13 65.64 0.10 . 1 . . . . . . . . 5824 1 689 . 1 1 59 59 ILE CB C 13 38.42 0.10 . 1 . . . . . . . . 5824 1 690 . 1 1 59 59 ILE CG1 C 13 29.28 0.10 . 1 . . . . . . . . 5824 1 691 . 1 1 59 59 ILE CG2 C 13 16.95 0.10 . 1 . . . . . . . . 5824 1 692 . 1 1 59 59 ILE CD1 C 13 13.50 0.10 . 1 . . . . . . . . 5824 1 693 . 1 1 59 59 ILE N N 15 120.10 0.10 . 1 . . . . . . . . 5824 1 694 . 1 1 60 60 HIS H H 1 7.89 0.02 . 1 . . . . . . . . 5824 1 695 . 1 1 60 60 HIS HA H 1 4.10 0.02 . 1 . . . . . . . . 5824 1 696 . 1 1 60 60 HIS HB2 H 1 2.85 0.02 . 2 . . . . . . . . 5824 1 697 . 1 1 60 60 HIS HB3 H 1 3.39 0.02 . 2 . . . . . . . . 5824 1 698 . 1 1 60 60 HIS HD2 H 1 6.84 0.02 . 1 . . . . . . . . 5824 1 699 . 1 1 60 60 HIS CA C 13 61.44 0.10 . 1 . . . . . . . . 5824 1 700 . 1 1 60 60 HIS CB C 13 31.72 0.10 . 1 . . . . . . . . 5824 1 701 . 1 1 60 60 HIS CD2 C 13 117.64 0.10 . 1 . . . . . . . . 5824 1 702 . 1 1 60 60 HIS N N 15 120.20 0.10 . 1 . . . . . . . . 5824 1 703 . 1 1 61 61 VAL H H 1 8.76 0.02 . 1 . . . . . . . . 5824 1 704 . 1 1 61 61 VAL HA H 1 3.53 0.02 . 1 . . . . . . . . 5824 1 705 . 1 1 61 61 VAL HB H 1 2.19 0.02 . 1 . . . . . . . . 5824 1 706 . 1 1 61 61 VAL HG11 H 1 1.21 0.02 . 2 . . . . . . . . 5824 1 707 . 1 1 61 61 VAL HG12 H 1 1.21 0.02 . 2 . . . . . . . . 5824 1 708 . 1 1 61 61 VAL HG13 H 1 1.21 0.02 . 2 . . . . . . . . 5824 1 709 . 1 1 61 61 VAL HG21 H 1 1.04 0.02 . 2 . . . . . . . . 5824 1 710 . 1 1 61 61 VAL HG22 H 1 1.04 0.02 . 2 . . . . . . . . 5824 1 711 . 1 1 61 61 VAL HG23 H 1 1.04 0.02 . 2 . . . . . . . . 5824 1 712 . 1 1 61 61 VAL CA C 13 67.06 0.10 . 1 . . . . . . . . 5824 1 713 . 1 1 61 61 VAL CB C 13 31.94 0.10 . 1 . . . . . . . . 5824 1 714 . 1 1 61 61 VAL CG1 C 13 22.87 0.10 . 2 . . . . . . . . 5824 1 715 . 1 1 61 61 VAL CG2 C 13 21.32 0.10 . 2 . . . . . . . . 5824 1 716 . 1 1 61 61 VAL N N 15 118.51 0.10 . 1 . . . . . . . . 5824 1 717 . 1 1 62 62 GLU H H 1 8.12 0.02 . 1 . . . . . . . . 5824 1 718 . 1 1 62 62 GLU HA H 1 4.11 0.02 . 1 . . . . . . . . 5824 1 719 . 1 1 62 62 GLU HB2 H 1 2.10 0.02 . 2 . . . . . . . . 5824 1 720 . 1 1 62 62 GLU HB3 H 1 2.18 0.02 . 2 . . . . . . . . 5824 1 721 . 1 1 62 62 GLU HG2 H 1 2.21 0.02 . 2 . . . . . . . . 5824 1 722 . 1 1 62 62 GLU HG3 H 1 2.49 0.02 . 2 . . . . . . . . 5824 1 723 . 1 1 62 62 GLU CA C 13 59.51 0.10 . 1 . . . . . . . . 5824 1 724 . 1 1 62 62 GLU CB C 13 29.93 0.10 . 1 . . . . . . . . 5824 1 725 . 1 1 62 62 GLU CG C 13 36.62 0.10 . 1 . . . . . . . . 5824 1 726 . 1 1 62 62 GLU N N 15 120.04 0.10 . 1 . . . . . . . . 5824 1 727 . 1 1 63 63 LEU H H 1 7.88 0.02 . 1 . . . . . . . . 5824 1 728 . 1 1 63 63 LEU HA H 1 4.11 0.02 . 1 . . . . . . . . 5824 1 729 . 1 1 63 63 LEU HB2 H 1 1.72 0.02 . 1 . . . . . . . . 5824 1 730 . 1 1 63 63 LEU HB3 H 1 1.72 0.02 . 1 . . . . . . . . 5824 1 731 . 1 1 63 63 LEU HG H 1 1.17 0.02 . 1 . . . . . . . . 5824 1 732 . 1 1 63 63 LEU HD11 H 1 0.83 0.02 . 1 . . . . . . . . 5824 1 733 . 1 1 63 63 LEU HD12 H 1 0.83 0.02 . 1 . . . . . . . . 5824 1 734 . 1 1 63 63 LEU HD13 H 1 0.83 0.02 . 1 . . . . . . . . 5824 1 735 . 1 1 63 63 LEU HD21 H 1 0.83 0.02 . 1 . . . . . . . . 5824 1 736 . 1 1 63 63 LEU HD22 H 1 0.83 0.02 . 1 . . . . . . . . 5824 1 737 . 1 1 63 63 LEU HD23 H 1 0.83 0.02 . 1 . . . . . . . . 5824 1 738 . 1 1 63 63 LEU CA C 13 57.53 0.10 . 1 . . . . . . . . 5824 1 739 . 1 1 63 63 LEU CB C 13 41.00 0.10 . 1 . . . . . . . . 5824 1 740 . 1 1 63 63 LEU CD1 C 13 26.11 0.10 . 2 . . . . . . . . 5824 1 741 . 1 1 63 63 LEU CD2 C 13 23.69 0.10 . 2 . . . . . . . . 5824 1 742 . 1 1 63 63 LEU CG C 13 26.94 0.10 . 1 . . . . . . . . 5824 1 743 . 1 1 63 63 LEU N N 15 121.16 0.10 . 1 . . . . . . . . 5824 1 744 . 1 1 64 64 MET H H 1 8.68 0.02 . 1 . . . . . . . . 5824 1 745 . 1 1 64 64 MET HA H 1 4.51 0.02 . 1 . . . . . . . . 5824 1 746 . 1 1 64 64 MET HB2 H 1 2.02 0.02 . 1 . . . . . . . . 5824 1 747 . 1 1 64 64 MET HB3 H 1 2.02 0.02 . 1 . . . . . . . . 5824 1 748 . 1 1 64 64 MET HG2 H 1 2.75 0.02 . 1 . . . . . . . . 5824 1 749 . 1 1 64 64 MET HG3 H 1 2.75 0.02 . 1 . . . . . . . . 5824 1 750 . 1 1 64 64 MET HE1 H 1 1.58 0.02 . 1 . . . . . . . . 5824 1 751 . 1 1 64 64 MET HE2 H 1 1.58 0.02 . 1 . . . . . . . . 5824 1 752 . 1 1 64 64 MET HE3 H 1 1.58 0.02 . 1 . . . . . . . . 5824 1 753 . 1 1 64 64 MET CA C 13 57.25 0.10 . 1 . . . . . . . . 5824 1 754 . 1 1 64 64 MET CB C 13 32.72 0.10 . 1 . . . . . . . . 5824 1 755 . 1 1 64 64 MET CG C 13 33.12 0.10 . 1 . . . . . . . . 5824 1 756 . 1 1 64 64 MET CE C 13 19.17 0.10 . 1 . . . . . . . . 5824 1 757 . 1 1 64 64 MET N N 15 118.27 0.10 . 1 . . . . . . . . 5824 1 758 . 1 1 65 65 ASP H H 1 8.26 0.02 . 1 . . . . . . . . 5824 1 759 . 1 1 65 65 ASP HA H 1 4.52 0.02 . 1 . . . . . . . . 5824 1 760 . 1 1 65 65 ASP HB2 H 1 2.87 0.02 . 2 . . . . . . . . 5824 1 761 . 1 1 65 65 ASP HB3 H 1 2.82 0.02 . 2 . . . . . . . . 5824 1 762 . 1 1 65 65 ASP CA C 13 57.87 0.10 . 1 . . . . . . . . 5824 1 763 . 1 1 65 65 ASP CB C 13 41.37 0.10 . 1 . . . . . . . . 5824 1 764 . 1 1 65 65 ASP N N 15 121.25 0.10 . 1 . . . . . . . . 5824 1 765 . 1 1 66 66 THR H H 1 7.85 0.02 . 1 . . . . . . . . 5824 1 766 . 1 1 66 66 THR HB H 1 4.41 0.02 . 1 . . . . . . . . 5824 1 767 . 1 1 66 66 THR HA H 1 4.09 0.02 . 1 . . . . . . . . 5824 1 768 . 1 1 66 66 THR HG21 H 1 1.31 0.02 . 1 . . . . . . . . 5824 1 769 . 1 1 66 66 THR HG22 H 1 1.31 0.02 . 1 . . . . . . . . 5824 1 770 . 1 1 66 66 THR HG23 H 1 1.31 0.02 . 1 . . . . . . . . 5824 1 771 . 1 1 66 66 THR CA C 13 66.52 0.10 . 1 . . . . . . . . 5824 1 772 . 1 1 66 66 THR CB C 13 69.03 0.10 . 1 . . . . . . . . 5824 1 773 . 1 1 66 66 THR CG2 C 13 21.68 0.10 . 1 . . . . . . . . 5824 1 774 . 1 1 66 66 THR N N 15 115.62 0.10 . 1 . . . . . . . . 5824 1 775 . 1 1 67 67 PHE H H 1 8.67 0.02 . 1 . . . . . . . . 5824 1 776 . 1 1 67 67 PHE HA H 1 4.66 0.02 . 1 . . . . . . . . 5824 1 777 . 1 1 67 67 PHE HB2 H 1 3.24 0.02 . 2 . . . . . . . . 5824 1 778 . 1 1 67 67 PHE HB3 H 1 3.42 0.02 . 2 . . . . . . . . 5824 1 779 . 1 1 67 67 PHE HD1 H 1 7.21 0.02 . 1 . . . . . . . . 5824 1 780 . 1 1 67 67 PHE HD2 H 1 7.21 0.02 . 1 . . . . . . . . 5824 1 781 . 1 1 67 67 PHE CA C 13 59.01 0.10 . 1 . . . . . . . . 5824 1 782 . 1 1 67 67 PHE CB C 13 38.45 0.10 . 1 . . . . . . . . 5824 1 783 . 1 1 67 67 PHE CD1 C 13 130.23 0.10 . 1 . . . . . . . . 5824 1 784 . 1 1 67 67 PHE CD2 C 13 130.23 0.10 . 1 . . . . . . . . 5824 1 785 . 1 1 67 67 PHE N N 15 122.35 0.10 . 1 . . . . . . . . 5824 1 786 . 1 1 68 68 SER H H 1 8.83 0.02 . 1 . . . . . . . . 5824 1 787 . 1 1 68 68 SER HA H 1 4.16 0.02 . 1 . . . . . . . . 5824 1 788 . 1 1 68 68 SER HB2 H 1 4.17 0.02 . 1 . . . . . . . . 5824 1 789 . 1 1 68 68 SER HB3 H 1 4.17 0.02 . 1 . . . . . . . . 5824 1 790 . 1 1 68 68 SER CA C 13 62.34 0.10 . 1 . . . . . . . . 5824 1 791 . 1 1 68 68 SER CB C 13 63.09 0.10 . 1 . . . . . . . . 5824 1 792 . 1 1 68 68 SER N N 15 115.73 0.10 . 1 . . . . . . . . 5824 1 793 . 1 1 69 69 LYS H H 1 7.71 0.02 . 1 . . . . . . . . 5824 1 794 . 1 1 69 69 LYS HA H 1 4.02 0.02 . 1 . . . . . . . . 5824 1 795 . 1 1 69 69 LYS HB2 H 1 1.99 0.02 . 1 . . . . . . . . 5824 1 796 . 1 1 69 69 LYS HB3 H 1 1.99 0.02 . 1 . . . . . . . . 5824 1 797 . 1 1 69 69 LYS HG2 H 1 1.53 0.02 . 2 . . . . . . . . 5824 1 798 . 1 1 69 69 LYS HG3 H 1 1.70 0.02 . 2 . . . . . . . . 5824 1 799 . 1 1 69 69 LYS HD2 H 1 1.73 0.02 . 1 . . . . . . . . 5824 1 800 . 1 1 69 69 LYS HD3 H 1 1.73 0.02 . 1 . . . . . . . . 5824 1 801 . 1 1 69 69 LYS HE2 H 1 3.05 0.02 . 1 . . . . . . . . 5824 1 802 . 1 1 69 69 LYS HE3 H 1 3.05 0.02 . 1 . . . . . . . . 5824 1 803 . 1 1 69 69 LYS CA C 13 59.51 0.10 . 1 . . . . . . . . 5824 1 804 . 1 1 69 69 LYS CB C 13 32.69 0.10 . 1 . . . . . . . . 5824 1 805 . 1 1 69 69 LYS CG C 13 25.75 0.10 . 1 . . . . . . . . 5824 1 806 . 1 1 69 69 LYS CD C 13 29.35 0.10 . 1 . . . . . . . . 5824 1 807 . 1 1 69 69 LYS CE C 13 42.55 0.10 . 1 . . . . . . . . 5824 1 808 . 1 1 69 69 LYS N N 15 119.81 0.10 . 1 . . . . . . . . 5824 1 809 . 1 1 70 70 GLN H H 1 7.67 0.02 . 1 . . . . . . . . 5824 1 810 . 1 1 70 70 GLN HA H 1 4.16 0.02 . 1 . . . . . . . . 5824 1 811 . 1 1 70 70 GLN HB2 H 1 2.26 0.02 . 1 . . . . . . . . 5824 1 812 . 1 1 70 70 GLN HB3 H 1 2.26 0.02 . 1 . . . . . . . . 5824 1 813 . 1 1 70 70 GLN HG2 H 1 2.44 0.02 . 2 . . . . . . . . 5824 1 814 . 1 1 70 70 GLN HG3 H 1 2.52 0.02 . 2 . . . . . . . . 5824 1 815 . 1 1 70 70 GLN HE21 H 1 7.69 0.02 . 1 . . . . . . . . 5824 1 816 . 1 1 70 70 GLN HE22 H 1 6.62 0.02 . 1 . . . . . . . . 5824 1 817 . 1 1 70 70 GLN CA C 13 58.47 0.10 . 1 . . . . . . . . 5824 1 818 . 1 1 70 70 GLN CB C 13 28.58 0.10 . 1 . . . . . . . . 5824 1 819 . 1 1 70 70 GLN CG C 13 33.55 0.10 . 1 . . . . . . . . 5824 1 820 . 1 1 70 70 GLN N N 15 118.98 0.10 . 1 . . . . . . . . 5824 1 821 . 1 1 70 70 GLN NE2 N 15 111.25 0.10 . 1 . . . . . . . . 5824 1 822 . 1 1 71 71 LEU H H 1 8.35 0.02 . 1 . . . . . . . . 5824 1 823 . 1 1 71 71 LEU HA H 1 4.07 0.02 . 1 . . . . . . . . 5824 1 824 . 1 1 71 71 LEU HB2 H 1 1.46 0.02 . 2 . . . . . . . . 5824 1 825 . 1 1 71 71 LEU HB3 H 1 1.86 0.02 . 2 . . . . . . . . 5824 1 826 . 1 1 71 71 LEU HG H 1 1.77 0.02 . 1 . . . . . . . . 5824 1 827 . 1 1 71 71 LEU HD11 H 1 0.87 0.02 . 2 . . . . . . . . 5824 1 828 . 1 1 71 71 LEU HD12 H 1 0.87 0.02 . 2 . . . . . . . . 5824 1 829 . 1 1 71 71 LEU HD13 H 1 0.87 0.02 . 2 . . . . . . . . 5824 1 830 . 1 1 71 71 LEU HD21 H 1 0.83 0.02 . 2 . . . . . . . . 5824 1 831 . 1 1 71 71 LEU HD22 H 1 0.83 0.02 . 2 . . . . . . . . 5824 1 832 . 1 1 71 71 LEU HD23 H 1 0.83 0.02 . 2 . . . . . . . . 5824 1 833 . 1 1 71 71 LEU CA C 13 57.98 0.10 . 1 . . . . . . . . 5824 1 834 . 1 1 71 71 LEU CB C 13 41.24 0.10 . 1 . . . . . . . . 5824 1 835 . 1 1 71 71 LEU CG C 13 27.10 0.10 . 1 . . . . . . . . 5824 1 836 . 1 1 71 71 LEU CD1 C 13 25.93 0.10 . 2 . . . . . . . . 5824 1 837 . 1 1 71 71 LEU CD2 C 13 23.13 0.10 . 2 . . . . . . . . 5824 1 838 . 1 1 71 71 LEU N N 15 119.92 0.10 . 1 . . . . . . . . 5824 1 839 . 1 1 72 72 LYS H H 1 8.00 0.02 . 1 . . . . . . . . 5824 1 840 . 1 1 72 72 LYS HA H 1 4.25 0.02 . 1 . . . . . . . . 5824 1 841 . 1 1 72 72 LYS HB2 H 1 1.95 0.02 . 1 . . . . . . . . 5824 1 842 . 1 1 72 72 LYS HB3 H 1 1.95 0.02 . 1 . . . . . . . . 5824 1 843 . 1 1 72 72 LYS HG2 H 1 1.51 0.02 . 2 . . . . . . . . 5824 1 844 . 1 1 72 72 LYS HG3 H 1 1.66 0.02 . 2 . . . . . . . . 5824 1 845 . 1 1 72 72 LYS HD2 H 1 1.73 0.02 . 1 . . . . . . . . 5824 1 846 . 1 1 72 72 LYS HD3 H 1 1.73 0.02 . 1 . . . . . . . . 5824 1 847 . 1 1 72 72 LYS HE2 H 1 3.04 0.02 . 1 . . . . . . . . 5824 1 848 . 1 1 72 72 LYS HE3 H 1 3.04 0.02 . 1 . . . . . . . . 5824 1 849 . 1 1 72 72 LYS CA C 13 58.93 0.10 . 1 . . . . . . . . 5824 1 850 . 1 1 72 72 LYS CB C 13 32.42 0.10 . 1 . . . . . . . . 5824 1 851 . 1 1 72 72 LYS CG C 13 25.36 0.10 . 1 . . . . . . . . 5824 1 852 . 1 1 72 72 LYS CD C 13 29.31 0.10 . 1 . . . . . . . . 5824 1 853 . 1 1 72 72 LYS CE C 13 42.38 0.10 . 1 . . . . . . . . 5824 1 854 . 1 1 72 72 LYS N N 15 118.63 0.10 . 1 . . . . . . . . 5824 1 855 . 1 1 73 73 LEU H H 1 7.77 0.02 . 1 . . . . . . . . 5824 1 856 . 1 1 73 73 LEU HA H 1 4.23 0.02 . 1 . . . . . . . . 5824 1 857 . 1 1 73 73 LEU HB2 H 1 1.74 0.02 . 2 . . . . . . . . 5824 1 858 . 1 1 73 73 LEU HB3 H 1 1.93 0.02 . 2 . . . . . . . . 5824 1 859 . 1 1 73 73 LEU HG H 1 1.83 0.02 . 1 . . . . . . . . 5824 1 860 . 1 1 73 73 LEU HD11 H 1 0.97 0.02 . 2 . . . . . . . . 5824 1 861 . 1 1 73 73 LEU HD12 H 1 0.97 0.02 . 2 . . . . . . . . 5824 1 862 . 1 1 73 73 LEU HD13 H 1 0.97 0.02 . 2 . . . . . . . . 5824 1 863 . 1 1 73 73 LEU HD21 H 1 0.95 0.02 . 2 . . . . . . . . 5824 1 864 . 1 1 73 73 LEU HD22 H 1 0.95 0.02 . 2 . . . . . . . . 5824 1 865 . 1 1 73 73 LEU HD23 H 1 0.95 0.02 . 2 . . . . . . . . 5824 1 866 . 1 1 73 73 LEU CA C 13 57.37 0.10 . 1 . . . . . . . . 5824 1 867 . 1 1 73 73 LEU CB C 13 42.18 0.10 . 1 . . . . . . . . 5824 1 868 . 1 1 73 73 LEU CG C 13 26.96 0.10 . 1 . . . . . . . . 5824 1 869 . 1 1 73 73 LEU CD1 C 13 25.03 0.10 . 2 . . . . . . . . 5824 1 870 . 1 1 73 73 LEU CD2 C 13 23.73 0.10 . 2 . . . . . . . . 5824 1 871 . 1 1 73 73 LEU N N 15 121.26 0.10 . 1 . . . . . . . . 5824 1 872 . 1 1 74 74 GLU H H 1 7.81 0.02 . 1 . . . . . . . . 5824 1 873 . 1 1 74 74 GLU HA H 1 4.33 0.02 . 1 . . . . . . . . 5824 1 874 . 1 1 74 74 GLU HB2 H 1 2.04 0.02 . 2 . . . . . . . . 5824 1 875 . 1 1 74 74 GLU HB3 H 1 2.24 0.02 . 2 . . . . . . . . 5824 1 876 . 1 1 74 74 GLU HG2 H 1 2.31 0.02 . 2 . . . . . . . . 5824 1 877 . 1 1 74 74 GLU HG3 H 1 2.49 0.02 . 2 . . . . . . . . 5824 1 878 . 1 1 74 74 GLU CA C 13 56.64 0.10 . 1 . . . . . . . . 5824 1 879 . 1 1 74 74 GLU CB C 13 30.84 0.10 . 1 . . . . . . . . 5824 1 880 . 1 1 74 74 GLU CG C 13 36.69 0.10 . 1 . . . . . . . . 5824 1 881 . 1 1 74 74 GLU N N 15 117.09 0.10 . 1 . . . . . . . . 5824 1 882 . 1 1 75 75 GLY H H 1 8.01 0.02 . 1 . . . . . . . . 5824 1 883 . 1 1 75 75 GLY HA2 H 1 3.93 0.02 . 2 . . . . . . . . 5824 1 884 . 1 1 75 75 GLY HA3 H 1 4.09 0.02 . 2 . . . . . . . . 5824 1 885 . 1 1 75 75 GLY CA C 13 46.25 0.10 . 1 . . . . . . . . 5824 1 886 . 1 1 75 75 GLY N N 15 108.84 0.10 . 1 . . . . . . . . 5824 1 887 . 1 1 76 76 ARG H H 1 8.04 0.02 . 1 . . . . . . . . 5824 1 888 . 1 1 76 76 ARG HA H 1 4.55 0.02 . 1 . . . . . . . . 5824 1 889 . 1 1 76 76 ARG HB2 H 1 1.68 0.02 . 2 . . . . . . . . 5824 1 890 . 1 1 76 76 ARG HB3 H 1 2.00 0.02 . 2 . . . . . . . . 5824 1 891 . 1 1 76 76 ARG HG2 H 1 1.68 0.02 . 1 . . . . . . . . 5824 1 892 . 1 1 76 76 ARG HG3 H 1 1.68 0.02 . 1 . . . . . . . . 5824 1 893 . 1 1 76 76 ARG HD2 H 1 3.26 0.02 . 1 . . . . . . . . 5824 1 894 . 1 1 76 76 ARG HD3 H 1 3.26 0.02 . 1 . . . . . . . . 5824 1 895 . 1 1 76 76 ARG CA C 13 55.23 0.10 . 1 . . . . . . . . 5824 1 896 . 1 1 76 76 ARG CB C 13 32.70 0.10 . 1 . . . . . . . . 5824 1 897 . 1 1 76 76 ARG CG C 13 27.55 0.10 . 1 . . . . . . . . 5824 1 898 . 1 1 76 76 ARG CD C 13 43.81 0.10 . 1 . . . . . . . . 5824 1 899 . 1 1 76 76 ARG N N 15 119.57 0.10 . 1 . . . . . . . . 5824 1 900 . 1 1 77 77 SER H H 1 8.20 0.02 . 1 . . . . . . . . 5824 1 901 . 1 1 77 77 SER HA H 1 4.41 0.02 . 1 . . . . . . . . 5824 1 902 . 1 1 77 77 SER HB2 H 1 3.89 0.02 . 2 . . . . . . . . 5824 1 903 . 1 1 77 77 SER HB3 H 1 4.02 0.02 . 2 . . . . . . . . 5824 1 904 . 1 1 77 77 SER CA C 13 58.58 0.10 . 1 . . . . . . . . 5824 1 905 . 1 1 77 77 SER CB C 13 64.05 0.10 . 1 . . . . . . . . 5824 1 906 . 1 1 77 77 SER N N 15 115.00 0.10 . 1 . . . . . . . . 5824 1 907 . 1 1 78 78 GLU H H 1 8.77 0.02 . 1 . . . . . . . . 5824 1 908 . 1 1 78 78 GLU HA H 1 4.32 0.02 . 1 . . . . . . . . 5824 1 909 . 1 1 78 78 GLU HB2 H 1 2.04 0.02 . 2 . . . . . . . . 5824 1 910 . 1 1 78 78 GLU HB3 H 1 2.26 0.02 . 2 . . . . . . . . 5824 1 911 . 1 1 78 78 GLU HG2 H 1 2.32 0.02 . 1 . . . . . . . . 5824 1 912 . 1 1 78 78 GLU HG3 H 1 2.32 0.02 . 1 . . . . . . . . 5824 1 913 . 1 1 78 78 GLU CA C 13 57.39 0.10 . 1 . . . . . . . . 5824 1 914 . 1 1 78 78 GLU CB C 13 30.00 0.10 . 1 . . . . . . . . 5824 1 915 . 1 1 78 78 GLU CG C 13 36.92 0.10 . 1 . . . . . . . . 5824 1 916 . 1 1 78 78 GLU N N 15 122.00 0.10 . 1 . . . . . . . . 5824 1 917 . 1 1 79 79 ASP H H 1 8.34 0.02 . 1 . . . . . . . . 5824 1 918 . 1 1 79 79 ASP HA H 1 4.39 0.02 . 1 . . . . . . . . 5824 1 919 . 1 1 79 79 ASP HB2 H 1 2.62 0.02 . 2 . . . . . . . . 5824 1 920 . 1 1 79 79 ASP HB3 H 1 2.72 0.02 . 2 . . . . . . . . 5824 1 921 . 1 1 79 79 ASP CA C 13 56.44 0.10 . 1 . . . . . . . . 5824 1 922 . 1 1 79 79 ASP CB C 13 40.22 0.10 . 1 . . . . . . . . 5824 1 923 . 1 1 79 79 ASP N N 15 122.02 0.10 . 1 . . . . . . . . 5824 1 924 . 1 1 80 80 ILE H H 1 7.50 0.02 . 1 . . . . . . . . 5824 1 925 . 1 1 80 80 ILE HA H 1 4.08 0.02 . 1 . . . . . . . . 5824 1 926 . 1 1 80 80 ILE HB H 1 1.92 0.02 . 1 . . . . . . . . 5824 1 927 . 1 1 80 80 ILE HG12 H 1 1.26 0.02 . 2 . . . . . . . . 5824 1 928 . 1 1 80 80 ILE HG13 H 1 1.37 0.02 . 2 . . . . . . . . 5824 1 929 . 1 1 80 80 ILE HG21 H 1 0.94 0.02 . 1 . . . . . . . . 5824 1 930 . 1 1 80 80 ILE HG22 H 1 0.94 0.02 . 1 . . . . . . . . 5824 1 931 . 1 1 80 80 ILE HG23 H 1 0.94 0.02 . 1 . . . . . . . . 5824 1 932 . 1 1 80 80 ILE HD11 H 1 0.90 0.02 . 1 . . . . . . . . 5824 1 933 . 1 1 80 80 ILE HD12 H 1 0.90 0.02 . 1 . . . . . . . . 5824 1 934 . 1 1 80 80 ILE HD13 H 1 0.90 0.02 . 1 . . . . . . . . 5824 1 935 . 1 1 80 80 ILE CA C 13 62.39 0.10 . 1 . . . . . . . . 5824 1 936 . 1 1 80 80 ILE CB C 13 38.53 0.10 . 1 . . . . . . . . 5824 1 937 . 1 1 80 80 ILE CG1 C 13 27.65 0.10 . 1 . . . . . . . . 5824 1 938 . 1 1 80 80 ILE CG2 C 13 17.86 0.10 . 1 . . . . . . . . 5824 1 939 . 1 1 80 80 ILE CD1 C 13 14.00 0.10 . 1 . . . . . . . . 5824 1 940 . 1 1 80 80 ILE N N 15 117.98 0.10 . 1 . . . . . . . . 5824 1 941 . 1 1 81 81 LEU H H 1 7.76 0.02 . 1 . . . . . . . . 5824 1 942 . 1 1 81 81 LEU HA H 1 4.33 0.02 . 1 . . . . . . . . 5824 1 943 . 1 1 81 81 LEU HB2 H 1 1.73 0.02 . 1 . . . . . . . . 5824 1 944 . 1 1 81 81 LEU HB3 H 1 1.73 0.02 . 1 . . . . . . . . 5824 1 945 . 1 1 81 81 LEU HG H 1 1.67 0.02 . 1 . . . . . . . . 5824 1 946 . 1 1 81 81 LEU HD11 H 1 0.73 0.02 . 2 . . . . . . . . 5824 1 947 . 1 1 81 81 LEU HD12 H 1 0.73 0.02 . 2 . . . . . . . . 5824 1 948 . 1 1 81 81 LEU HD13 H 1 0.73 0.02 . 2 . . . . . . . . 5824 1 949 . 1 1 81 81 LEU HD21 H 1 0.91 0.02 . 2 . . . . . . . . 5824 1 950 . 1 1 81 81 LEU HD22 H 1 0.91 0.02 . 2 . . . . . . . . 5824 1 951 . 1 1 81 81 LEU HD23 H 1 0.91 0.02 . 2 . . . . . . . . 5824 1 952 . 1 1 81 81 LEU CA C 13 56.27 0.10 . 1 . . . . . . . . 5824 1 953 . 1 1 81 81 LEU CB C 13 41.03 0.10 . 1 . . . . . . . . 5824 1 954 . 1 1 81 81 LEU CG C 13 27.28 0.10 . 1 . . . . . . . . 5824 1 955 . 1 1 81 81 LEU CD1 C 13 22.65 0.10 . 2 . . . . . . . . 5824 1 956 . 1 1 81 81 LEU CD2 C 13 25.19 0.10 . 2 . . . . . . . . 5824 1 957 . 1 1 81 81 LEU N N 15 119.60 0.10 . 1 . . . . . . . . 5824 1 958 . 1 1 82 82 LEU H H 1 7.61 0.02 . 1 . . . . . . . . 5824 1 959 . 1 1 82 82 LEU HA H 1 4.38 0.02 . 1 . . . . . . . . 5824 1 960 . 1 1 82 82 LEU HB2 H 1 1.83 0.02 . 1 . . . . . . . . 5824 1 961 . 1 1 82 82 LEU HB3 H 1 1.83 0.02 . 1 . . . . . . . . 5824 1 962 . 1 1 82 82 LEU HG H 1 1.75 0.02 . 1 . . . . . . . . 5824 1 963 . 1 1 82 82 LEU HD11 H 1 1.06 0.02 . 2 . . . . . . . . 5824 1 964 . 1 1 82 82 LEU HD12 H 1 1.06 0.02 . 2 . . . . . . . . 5824 1 965 . 1 1 82 82 LEU HD13 H 1 1.06 0.02 . 2 . . . . . . . . 5824 1 966 . 1 1 82 82 LEU HD21 H 1 1.10 0.02 . 2 . . . . . . . . 5824 1 967 . 1 1 82 82 LEU HD22 H 1 1.10 0.02 . 2 . . . . . . . . 5824 1 968 . 1 1 82 82 LEU HD23 H 1 1.10 0.02 . 2 . . . . . . . . 5824 1 969 . 1 1 82 82 LEU CA C 13 56.01 0.10 . 1 . . . . . . . . 5824 1 970 . 1 1 82 82 LEU CB C 13 41.07 0.10 . 1 . . . . . . . . 5824 1 971 . 1 1 82 82 LEU CG C 13 27.34 0.10 . 1 . . . . . . . . 5824 1 972 . 1 1 82 82 LEU CD1 C 13 23.41 0.10 . 2 . . . . . . . . 5824 1 973 . 1 1 82 82 LEU CD2 C 13 25.87 0.10 . 2 . . . . . . . . 5824 1 974 . 1 1 82 82 LEU N N 15 120.16 0.10 . 1 . . . . . . . . 5824 1 975 . 1 1 83 83 ASP H H 1 7.63 0.02 . 1 . . . . . . . . 5824 1 976 . 1 1 83 83 ASP HA H 1 4.63 0.02 . 1 . . . . . . . . 5824 1 977 . 1 1 83 83 ASP HB2 H 1 2.47 0.02 . 2 . . . . . . . . 5824 1 978 . 1 1 83 83 ASP HB3 H 1 2.73 0.02 . 2 . . . . . . . . 5824 1 979 . 1 1 83 83 ASP CA C 13 55.57 0.10 . 1 . . . . . . . . 5824 1 980 . 1 1 83 83 ASP CB C 13 40.01 0.10 . 1 . . . . . . . . 5824 1 981 . 1 1 83 83 ASP N N 15 119.58 0.10 . 1 . . . . . . . . 5824 1 982 . 1 1 84 84 TYR HA H 1 4.81 0.02 . 1 . . . . . . . . 5824 1 983 . 1 1 84 84 TYR HB2 H 1 3.27 0.02 . 2 . . . . . . . . 5824 1 984 . 1 1 84 84 TYR HB3 H 1 3.41 0.02 . 2 . . . . . . . . 5824 1 985 . 1 1 84 84 TYR HD1 H 1 7.43 0.02 . 1 . . . . . . . . 5824 1 986 . 1 1 84 84 TYR HD2 H 1 7.43 0.02 . 1 . . . . . . . . 5824 1 987 . 1 1 84 84 TYR HE1 H 1 7.01 0.02 . 1 . . . . . . . . 5824 1 988 . 1 1 84 84 TYR HE2 H 1 7.01 0.02 . 1 . . . . . . . . 5824 1 989 . 1 1 84 84 TYR CA C 13 60.23 0.10 . 1 . . . . . . . . 5824 1 990 . 1 1 84 84 TYR CB C 13 36.90 0.10 . 1 . . . . . . . . 5824 1 991 . 1 1 84 84 TYR CD1 C 13 132.67 0.10 . 1 . . . . . . . . 5824 1 992 . 1 1 84 84 TYR CD2 C 13 132.67 0.10 . 1 . . . . . . . . 5824 1 993 . 1 1 84 84 TYR CE1 C 13 118.91 0.10 . 1 . . . . . . . . 5824 1 994 . 1 1 84 84 TYR CE2 C 13 118.91 0.10 . 1 . . . . . . . . 5824 1 995 . 1 1 85 85 ARG H H 1 8.28 0.02 . 1 . . . . . . . . 5824 1 996 . 1 1 85 85 ARG HA H 1 3.96 0.02 . 1 . . . . . . . . 5824 1 997 . 1 1 85 85 ARG HB2 H 1 1.71 0.02 . 1 . . . . . . . . 5824 1 998 . 1 1 85 85 ARG HB3 H 1 1.71 0.02 . 1 . . . . . . . . 5824 1 999 . 1 1 85 85 ARG HG2 H 1 1.63 0.02 . 1 . . . . . . . . 5824 1 1000 . 1 1 85 85 ARG HG3 H 1 1.63 0.02 . 1 . . . . . . . . 5824 1 1001 . 1 1 85 85 ARG CA C 13 60.53 0.10 . 1 . . . . . . . . 5824 1 1002 . 1 1 85 85 ARG CB C 13 30.36 0.10 . 1 . . . . . . . . 5824 1 1003 . 1 1 85 85 ARG CG C 13 29.17 0.10 . 1 . . . . . . . . 5824 1 1004 . 1 1 85 85 ARG CD C 13 44.16 0.10 . 1 . . . . . . . . 5824 1 1005 . 1 1 85 85 ARG N N 15 120.06 0.10 . 1 . . . . . . . . 5824 1 1006 . 1 1 86 86 LEU H H 1 7.87 0.02 . 1 . . . . . . . . 5824 1 1007 . 1 1 86 86 LEU HA H 1 4.03 0.02 . 1 . . . . . . . . 5824 1 1008 . 1 1 86 86 LEU HB2 H 1 1.80 0.02 . 2 . . . . . . . . 5824 1 1009 . 1 1 86 86 LEU HB3 H 1 2.10 0.02 . 2 . . . . . . . . 5824 1 1010 . 1 1 86 86 LEU HG H 1 1.85 0.02 . 1 . . . . . . . . 5824 1 1011 . 1 1 86 86 LEU HD11 H 1 1.23 0.02 . 2 . . . . . . . . 5824 1 1012 . 1 1 86 86 LEU HD12 H 1 1.23 0.02 . 2 . . . . . . . . 5824 1 1013 . 1 1 86 86 LEU HD13 H 1 1.23 0.02 . 2 . . . . . . . . 5824 1 1014 . 1 1 86 86 LEU HD21 H 1 1.00 0.02 . 2 . . . . . . . . 5824 1 1015 . 1 1 86 86 LEU HD22 H 1 1.00 0.02 . 2 . . . . . . . . 5824 1 1016 . 1 1 86 86 LEU HD23 H 1 1.00 0.02 . 2 . . . . . . . . 5824 1 1017 . 1 1 86 86 LEU CA C 13 58.14 0.10 . 1 . . . . . . . . 5824 1 1018 . 1 1 86 86 LEU CB C 13 41.44 0.10 . 1 . . . . . . . . 5824 1 1019 . 1 1 86 86 LEU CG C 13 27.52 0.10 . 1 . . . . . . . . 5824 1 1020 . 1 1 86 86 LEU CD1 C 13 24.84 0.10 . 2 . . . . . . . . 5824 1 1021 . 1 1 86 86 LEU CD2 C 13 22.75 0.10 . 2 . . . . . . . . 5824 1 1022 . 1 1 86 86 LEU N N 15 116.84 0.10 . 1 . . . . . . . . 5824 1 1023 . 1 1 87 87 THR H H 1 6.60 0.02 . 1 . . . . . . . . 5824 1 1024 . 1 1 87 87 THR HB H 1 4.08 0.02 . 1 . . . . . . . . 5824 1 1025 . 1 1 87 87 THR HA H 1 2.77 0.02 . 1 . . . . . . . . 5824 1 1026 . 1 1 87 87 THR HG21 H 1 0.65 0.02 . 1 . . . . . . . . 5824 1 1027 . 1 1 87 87 THR HG22 H 1 0.65 0.02 . 1 . . . . . . . . 5824 1 1028 . 1 1 87 87 THR HG23 H 1 0.65 0.02 . 1 . . . . . . . . 5824 1 1029 . 1 1 87 87 THR CA C 13 66.14 0.10 . 1 . . . . . . . . 5824 1 1030 . 1 1 87 87 THR CB C 13 68.44 0.10 . 1 . . . . . . . . 5824 1 1031 . 1 1 87 87 THR CG2 C 13 22.79 0.10 . 1 . . . . . . . . 5824 1 1032 . 1 1 87 87 THR N N 15 116.01 0.10 . 1 . . . . . . . . 5824 1 1033 . 1 1 88 88 LEU H H 1 7.03 0.02 . 1 . . . . . . . . 5824 1 1034 . 1 1 88 88 LEU HA H 1 4.01 0.02 . 1 . . . . . . . . 5824 1 1035 . 1 1 88 88 LEU HB2 H 1 0.97 0.02 . 2 . . . . . . . . 5824 1 1036 . 1 1 88 88 LEU HB3 H 1 1.59 0.02 . 2 . . . . . . . . 5824 1 1037 . 1 1 88 88 LEU HG H 1 1.23 0.02 . 1 . . . . . . . . 5824 1 1038 . 1 1 88 88 LEU HD21 H 1 0.68 0.02 . 2 . . . . . . . . 5824 1 1039 . 1 1 88 88 LEU HD22 H 1 0.68 0.02 . 2 . . . . . . . . 5824 1 1040 . 1 1 88 88 LEU HD23 H 1 0.68 0.02 . 2 . . . . . . . . 5824 1 1041 . 1 1 88 88 LEU HD11 H 1 0.42 0.02 . 2 . . . . . . . . 5824 1 1042 . 1 1 88 88 LEU HD12 H 1 0.42 0.02 . 2 . . . . . . . . 5824 1 1043 . 1 1 88 88 LEU HD13 H 1 0.42 0.02 . 2 . . . . . . . . 5824 1 1044 . 1 1 88 88 LEU CA C 13 57.81 0.10 . 1 . . . . . . . . 5824 1 1045 . 1 1 88 88 LEU CB C 13 41.28 0.10 . 1 . . . . . . . . 5824 1 1046 . 1 1 88 88 LEU CD1 C 13 25.37 0.10 . 2 . . . . . . . . 5824 1 1047 . 1 1 88 88 LEU CD2 C 13 22.45 0.10 . 2 . . . . . . . . 5824 1 1048 . 1 1 88 88 LEU CG C 13 26.49 0.10 . 1 . . . . . . . . 5824 1 1049 . 1 1 88 88 LEU N N 15 120.69 0.10 . 1 . . . . . . . . 5824 1 1050 . 1 1 89 89 ILE H H 1 7.76 0.02 . 1 . . . . . . . . 5824 1 1051 . 1 1 89 89 ILE HA H 1 3.31 0.02 . 1 . . . . . . . . 5824 1 1052 . 1 1 89 89 ILE HB H 1 1.83 0.02 . 1 . . . . . . . . 5824 1 1053 . 1 1 89 89 ILE HG12 H 1 0.66 0.02 . 2 . . . . . . . . 5824 1 1054 . 1 1 89 89 ILE HG13 H 1 1.81 0.02 . 2 . . . . . . . . 5824 1 1055 . 1 1 89 89 ILE HG21 H 1 0.79 0.02 . 1 . . . . . . . . 5824 1 1056 . 1 1 89 89 ILE HG22 H 1 0.79 0.02 . 1 . . . . . . . . 5824 1 1057 . 1 1 89 89 ILE HG23 H 1 0.79 0.02 . 1 . . . . . . . . 5824 1 1058 . 1 1 89 89 ILE HD11 H 1 0.79 0.02 . 1 . . . . . . . . 5824 1 1059 . 1 1 89 89 ILE HD12 H 1 0.79 0.02 . 1 . . . . . . . . 5824 1 1060 . 1 1 89 89 ILE HD13 H 1 0.79 0.02 . 1 . . . . . . . . 5824 1 1061 . 1 1 89 89 ILE CA C 13 66.29 0.10 . 1 . . . . . . . . 5824 1 1062 . 1 1 89 89 ILE CB C 13 38.11 0.10 . 1 . . . . . . . . 5824 1 1063 . 1 1 89 89 ILE CG1 C 13 31.33 0.10 . 1 . . . . . . . . 5824 1 1064 . 1 1 89 89 ILE CG2 C 13 17.25 0.10 . 1 . . . . . . . . 5824 1 1065 . 1 1 89 89 ILE CD1 C 13 13.64 0.10 . 1 . . . . . . . . 5824 1 1066 . 1 1 89 89 ILE N N 15 117.56 0.10 . 1 . . . . . . . . 5824 1 1067 . 1 1 90 90 ASP H H 1 7.69 0.02 . 1 . . . . . . . . 5824 1 1068 . 1 1 90 90 ASP HA H 1 4.47 0.02 . 1 . . . . . . . . 5824 1 1069 . 1 1 90 90 ASP HB2 H 1 2.95 0.02 . 1 . . . . . . . . 5824 1 1070 . 1 1 90 90 ASP HB3 H 1 2.95 0.02 . 1 . . . . . . . . 5824 1 1071 . 1 1 90 90 ASP CA C 13 57.00 0.10 . 1 . . . . . . . . 5824 1 1072 . 1 1 90 90 ASP CB C 13 41.20 0.10 . 1 . . . . . . . . 5824 1 1073 . 1 1 90 90 ASP N N 15 119.34 0.10 . 1 . . . . . . . . 5824 1 1074 . 1 1 91 91 VAL H H 1 8.33 0.02 . 1 . . . . . . . . 5824 1 1075 . 1 1 91 91 VAL HA H 1 3.59 0.02 . 1 . . . . . . . . 5824 1 1076 . 1 1 91 91 VAL HB H 1 2.21 0.02 . 1 . . . . . . . . 5824 1 1077 . 1 1 91 91 VAL HG21 H 1 0.75 0.02 . 2 . . . . . . . . 5824 1 1078 . 1 1 91 91 VAL HG22 H 1 0.75 0.02 . 2 . . . . . . . . 5824 1 1079 . 1 1 91 91 VAL HG23 H 1 0.75 0.02 . 2 . . . . . . . . 5824 1 1080 . 1 1 91 91 VAL HG11 H 1 0.98 0.02 . 2 . . . . . . . . 5824 1 1081 . 1 1 91 91 VAL HG12 H 1 0.98 0.02 . 2 . . . . . . . . 5824 1 1082 . 1 1 91 91 VAL HG13 H 1 0.98 0.02 . 2 . . . . . . . . 5824 1 1083 . 1 1 91 91 VAL CA C 13 68.21 0.10 . 1 . . . . . . . . 5824 1 1084 . 1 1 91 91 VAL CB C 13 31.64 0.10 . 1 . . . . . . . . 5824 1 1085 . 1 1 91 91 VAL CG1 C 13 23.26 0.10 . 2 . . . . . . . . 5824 1 1086 . 1 1 91 91 VAL CG2 C 13 22.33 0.10 . 2 . . . . . . . . 5824 1 1087 . 1 1 91 91 VAL N N 15 119.04 0.10 . 1 . . . . . . . . 5824 1 1088 . 1 1 92 92 ILE H H 1 8.82 0.02 . 1 . . . . . . . . 5824 1 1089 . 1 1 92 92 ILE HA H 1 3.94 0.02 . 1 . . . . . . . . 5824 1 1090 . 1 1 92 92 ILE HB H 1 2.05 0.02 . 1 . . . . . . . . 5824 1 1091 . 1 1 92 92 ILE HG12 H 1 1.40 0.02 . 2 . . . . . . . . 5824 1 1092 . 1 1 92 92 ILE HG13 H 1 1.76 0.02 . 2 . . . . . . . . 5824 1 1093 . 1 1 92 92 ILE HG21 H 1 1.00 0.02 . 1 . . . . . . . . 5824 1 1094 . 1 1 92 92 ILE HG22 H 1 1.00 0.02 . 1 . . . . . . . . 5824 1 1095 . 1 1 92 92 ILE HG23 H 1 1.00 0.02 . 1 . . . . . . . . 5824 1 1096 . 1 1 92 92 ILE HD11 H 1 0.77 0.02 . 1 . . . . . . . . 5824 1 1097 . 1 1 92 92 ILE HD12 H 1 0.77 0.02 . 1 . . . . . . . . 5824 1 1098 . 1 1 92 92 ILE HD13 H 1 0.77 0.02 . 1 . . . . . . . . 5824 1 1099 . 1 1 92 92 ILE CA C 13 66.19 0.10 . 1 . . . . . . . . 5824 1 1100 . 1 1 92 92 ILE CB C 13 37.53 0.10 . 1 . . . . . . . . 5824 1 1101 . 1 1 92 92 ILE CG1 C 13 28.17 0.10 . 1 . . . . . . . . 5824 1 1102 . 1 1 92 92 ILE CG2 C 13 18.50 0.10 . 1 . . . . . . . . 5824 1 1103 . 1 1 92 92 ILE CD1 C 13 13.92 0.10 . 1 . . . . . . . . 5824 1 1104 . 1 1 92 92 ILE N N 15 116.26 0.10 . 1 . . . . . . . . 5824 1 1105 . 1 1 93 93 ALA H H 1 9.32 0.02 . 1 . . . . . . . . 5824 1 1106 . 1 1 93 93 ALA HA H 1 4.05 0.02 . 1 . . . . . . . . 5824 1 1107 . 1 1 93 93 ALA HB1 H 1 1.54 0.02 . 1 . . . . . . . . 5824 1 1108 . 1 1 93 93 ALA HB2 H 1 1.54 0.02 . 1 . . . . . . . . 5824 1 1109 . 1 1 93 93 ALA HB3 H 1 1.54 0.02 . 1 . . . . . . . . 5824 1 1110 . 1 1 93 93 ALA CA C 13 56.36 0.10 . 1 . . . . . . . . 5824 1 1111 . 1 1 93 93 ALA CB C 13 18.07 0.10 . 1 . . . . . . . . 5824 1 1112 . 1 1 93 93 ALA N N 15 124.23 0.10 . 1 . . . . . . . . 5824 1 1113 . 1 1 94 94 HIS H H 1 7.89 0.02 . 1 . . . . . . . . 5824 1 1114 . 1 1 94 94 HIS HA H 1 4.28 0.02 . 1 . . . . . . . . 5824 1 1115 . 1 1 94 94 HIS HB2 H 1 3.20 0.02 . 1 . . . . . . . . 5824 1 1116 . 1 1 94 94 HIS HB3 H 1 3.20 0.02 . 1 . . . . . . . . 5824 1 1117 . 1 1 94 94 HIS CA C 13 60.80 0.10 . 1 . . . . . . . . 5824 1 1118 . 1 1 94 94 HIS CB C 13 30.09 0.10 . 1 . . . . . . . . 5824 1 1119 . 1 1 94 94 HIS N N 15 115.62 0.10 . 1 . . . . . . . . 5824 1 1120 . 1 1 95 95 LEU H H 1 8.51 0.02 . 1 . . . . . . . . 5824 1 1121 . 1 1 95 95 LEU HA H 1 4.05 0.02 . 1 . . . . . . . . 5824 1 1122 . 1 1 95 95 LEU HB2 H 1 1.66 0.02 . 2 . . . . . . . . 5824 1 1123 . 1 1 95 95 LEU HB3 H 1 2.13 0.02 . 2 . . . . . . . . 5824 1 1124 . 1 1 95 95 LEU HG H 1 1.61 0.02 . 1 . . . . . . . . 5824 1 1125 . 1 1 95 95 LEU HD11 H 1 1.02 0.02 . 2 . . . . . . . . 5824 1 1126 . 1 1 95 95 LEU HD12 H 1 1.02 0.02 . 2 . . . . . . . . 5824 1 1127 . 1 1 95 95 LEU HD13 H 1 1.02 0.02 . 2 . . . . . . . . 5824 1 1128 . 1 1 95 95 LEU HD21 H 1 0.99 0.02 . 2 . . . . . . . . 5824 1 1129 . 1 1 95 95 LEU HD22 H 1 0.99 0.02 . 2 . . . . . . . . 5824 1 1130 . 1 1 95 95 LEU HD23 H 1 0.99 0.02 . 2 . . . . . . . . 5824 1 1131 . 1 1 95 95 LEU CA C 13 58.28 0.10 . 1 . . . . . . . . 5824 1 1132 . 1 1 95 95 LEU CB C 13 43.08 0.10 . 1 . . . . . . . . 5824 1 1133 . 1 1 95 95 LEU CG C 13 27.20 0.10 . 1 . . . . . . . . 5824 1 1134 . 1 1 95 95 LEU CD1 C 13 26.00 0.10 . 2 . . . . . . . . 5824 1 1135 . 1 1 95 95 LEU CD2 C 13 23.83 0.10 . 2 . . . . . . . . 5824 1 1136 . 1 1 95 95 LEU N N 15 122.32 0.10 . 1 . . . . . . . . 5824 1 1137 . 1 1 96 96 CYS H H 1 9.21 0.02 . 1 . . . . . . . . 5824 1 1138 . 1 1 96 96 CYS HA H 1 4.57 0.02 . 1 . . . . . . . . 5824 1 1139 . 1 1 96 96 CYS HB2 H 1 3.48 0.02 . 2 . . . . . . . . 5824 1 1140 . 1 1 96 96 CYS HB3 H 1 3.61 0.02 . 2 . . . . . . . . 5824 1 1141 . 1 1 96 96 CYS CA C 13 61.11 0.10 . 1 . . . . . . . . 5824 1 1142 . 1 1 96 96 CYS CB C 13 45.59 0.10 . 1 . . . . . . . . 5824 1 1143 . 1 1 96 96 CYS N N 15 116.26 0.10 . 1 . . . . . . . . 5824 1 1144 . 1 1 97 97 GLU H H 1 7.90 0.02 . 1 . . . . . . . . 5824 1 1145 . 1 1 97 97 GLU HA H 1 4.50 0.02 . 1 . . . . . . . . 5824 1 1146 . 1 1 97 97 GLU HB2 H 1 2.01 0.02 . 2 . . . . . . . . 5824 1 1147 . 1 1 97 97 GLU HB3 H 1 2.13 0.02 . 2 . . . . . . . . 5824 1 1148 . 1 1 97 97 GLU HG2 H 1 2.28 0.02 . 2 . . . . . . . . 5824 1 1149 . 1 1 97 97 GLU HG3 H 1 2.48 0.02 . 2 . . . . . . . . 5824 1 1150 . 1 1 97 97 GLU CA C 13 58.19 0.10 . 1 . . . . . . . . 5824 1 1151 . 1 1 97 97 GLU CB C 13 29.69 0.10 . 1 . . . . . . . . 5824 1 1152 . 1 1 97 97 GLU CG C 13 35.80 0.10 . 1 . . . . . . . . 5824 1 1153 . 1 1 97 97 GLU N N 15 119.74 0.10 . 1 . . . . . . . . 5824 1 1154 . 1 1 98 98 MET H H 1 7.32 0.02 . 1 . . . . . . . . 5824 1 1155 . 1 1 98 98 MET HA H 1 3.97 0.02 . 1 . . . . . . . . 5824 1 1156 . 1 1 98 98 MET HB2 H 1 1.67 0.02 . 2 . . . . . . . . 5824 1 1157 . 1 1 98 98 MET HB3 H 1 1.91 0.02 . 2 . . . . . . . . 5824 1 1158 . 1 1 98 98 MET HG2 H 1 2.01 0.02 . 2 . . . . . . . . 5824 1 1159 . 1 1 98 98 MET HG3 H 1 2.09 0.02 . 2 . . . . . . . . 5824 1 1160 . 1 1 98 98 MET HE1 H 1 1.60 0.02 . 1 . . . . . . . . 5824 1 1161 . 1 1 98 98 MET HE2 H 1 1.60 0.02 . 1 . . . . . . . . 5824 1 1162 . 1 1 98 98 MET HE3 H 1 1.60 0.02 . 1 . . . . . . . . 5824 1 1163 . 1 1 98 98 MET CA C 13 58.84 0.10 . 1 . . . . . . . . 5824 1 1164 . 1 1 98 98 MET CB C 13 31.13 0.10 . 1 . . . . . . . . 5824 1 1165 . 1 1 98 98 MET CG C 13 32.51 0.10 . 1 . . . . . . . . 5824 1 1166 . 1 1 98 98 MET CE C 13 17.21 0.10 . 1 . . . . . . . . 5824 1 1167 . 1 1 98 98 MET N N 15 119.34 0.10 . 1 . . . . . . . . 5824 1 1168 . 1 1 99 99 TYR H H 1 7.83 0.02 . 1 . . . . . . . . 5824 1 1169 . 1 1 99 99 TYR HA H 1 4.65 0.02 . 1 . . . . . . . . 5824 1 1170 . 1 1 99 99 TYR HB2 H 1 3.12 0.02 . 2 . . . . . . . . 5824 1 1171 . 1 1 99 99 TYR HB3 H 1 3.45 0.02 . 2 . . . . . . . . 5824 1 1172 . 1 1 99 99 TYR HD1 H 1 7.33 0.02 . 1 . . . . . . . . 5824 1 1173 . 1 1 99 99 TYR HD2 H 1 7.33 0.02 . 1 . . . . . . . . 5824 1 1174 . 1 1 99 99 TYR HE1 H 1 6.80 0.02 . 1 . . . . . . . . 5824 1 1175 . 1 1 99 99 TYR HE2 H 1 6.80 0.02 . 1 . . . . . . . . 5824 1 1176 . 1 1 99 99 TYR CA C 13 60.31 0.10 . 1 . . . . . . . . 5824 1 1177 . 1 1 99 99 TYR CB C 13 37.93 0.10 . 1 . . . . . . . . 5824 1 1178 . 1 1 99 99 TYR CD1 C 13 132.20 0.10 . 1 . . . . . . . . 5824 1 1179 . 1 1 99 99 TYR CD2 C 13 132.20 0.10 . 1 . . . . . . . . 5824 1 1180 . 1 1 99 99 TYR CE1 C 13 118.37 0.10 . 1 . . . . . . . . 5824 1 1181 . 1 1 99 99 TYR CE2 C 13 118.37 0.10 . 1 . . . . . . . . 5824 1 1182 . 1 1 99 99 TYR N N 15 117.20 0.10 . 1 . . . . . . . . 5824 1 1183 . 1 1 100 100 ARG H H 1 8.20 0.02 . 1 . . . . . . . . 5824 1 1184 . 1 1 100 100 ARG HA H 1 3.39 0.02 . 1 . . . . . . . . 5824 1 1185 . 1 1 100 100 ARG HB2 H 1 1.10 0.02 . 2 . . . . . . . . 5824 1 1186 . 1 1 100 100 ARG HB3 H 1 1.72 0.02 . 2 . . . . . . . . 5824 1 1187 . 1 1 100 100 ARG HG2 H 1 1.00 0.02 . 1 . . . . . . . . 5824 1 1188 . 1 1 100 100 ARG HG3 H 1 1.00 0.02 . 1 . . . . . . . . 5824 1 1189 . 1 1 100 100 ARG HD2 H 1 2.90 0.02 . 2 . . . . . . . . 5824 1 1190 . 1 1 100 100 ARG HD3 H 1 3.09 0.02 . 2 . . . . . . . . 5824 1 1191 . 1 1 100 100 ARG CA C 13 60.27 0.10 . 1 . . . . . . . . 5824 1 1192 . 1 1 100 100 ARG CB C 13 30.49 0.10 . 1 . . . . . . . . 5824 1 1193 . 1 1 100 100 ARG CG C 13 28.15 0.10 . 1 . . . . . . . . 5824 1 1194 . 1 1 100 100 ARG CD C 13 43.18 0.10 . 1 . . . . . . . . 5824 1 1195 . 1 1 100 100 ARG N N 15 118.83 0.10 . 1 . . . . . . . . 5824 1 1196 . 1 1 101 101 ARG H H 1 7.98 0.02 . 1 . . . . . . . . 5824 1 1197 . 1 1 101 101 ARG HA H 1 4.12 0.02 . 1 . . . . . . . . 5824 1 1198 . 1 1 101 101 ARG HB2 H 1 1.87 0.02 . 2 . . . . . . . . 5824 1 1199 . 1 1 101 101 ARG HB3 H 1 1.94 0.02 . 2 . . . . . . . . 5824 1 1200 . 1 1 101 101 ARG HG2 H 1 1.69 0.02 . 2 . . . . . . . . 5824 1 1201 . 1 1 101 101 ARG HG3 H 1 1.82 0.02 . 2 . . . . . . . . 5824 1 1202 . 1 1 101 101 ARG HD2 H 1 3.14 0.02 . 2 . . . . . . . . 5824 1 1203 . 1 1 101 101 ARG HD3 H 1 3.18 0.02 . 2 . . . . . . . . 5824 1 1204 . 1 1 101 101 ARG CA C 13 58.12 0.10 . 1 . . . . . . . . 5824 1 1205 . 1 1 101 101 ARG CB C 13 30.34 0.10 . 1 . . . . . . . . 5824 1 1206 . 1 1 101 101 ARG CG C 13 27.86 0.10 . 1 . . . . . . . . 5824 1 1207 . 1 1 101 101 ARG CD C 13 43.81 0.10 . 1 . . . . . . . . 5824 1 1208 . 1 1 101 101 ARG N N 15 115.59 0.10 . 1 . . . . . . . . 5824 1 1209 . 1 1 102 102 SER H H 1 7.60 0.02 . 1 . . . . . . . . 5824 1 1210 . 1 1 102 102 SER HA H 1 4.56 0.02 . 1 . . . . . . . . 5824 1 1211 . 1 1 102 102 SER HB2 H 1 4.25 0.02 . 1 . . . . . . . . 5824 1 1212 . 1 1 102 102 SER HB3 H 1 4.25 0.02 . 1 . . . . . . . . 5824 1 1213 . 1 1 102 102 SER CA C 13 59.48 0.10 . 1 . . . . . . . . 5824 1 1214 . 1 1 102 102 SER CB C 13 64.47 0.10 . 1 . . . . . . . . 5824 1 1215 . 1 1 102 102 SER N N 15 114.12 0.10 . 1 . . . . . . . . 5824 1 1216 . 1 1 103 103 ILE H H 1 7.14 0.02 . 1 . . . . . . . . 5824 1 1217 . 1 1 103 103 ILE HA H 1 4.31 0.02 . 1 . . . . . . . . 5824 1 1218 . 1 1 103 103 ILE HB H 1 1.90 0.02 . 1 . . . . . . . . 5824 1 1219 . 1 1 103 103 ILE HG12 H 1 1.13 0.02 . 2 . . . . . . . . 5824 1 1220 . 1 1 103 103 ILE HG13 H 1 1.99 0.02 . 2 . . . . . . . . 5824 1 1221 . 1 1 103 103 ILE HG21 H 1 1.03 0.02 . 1 . . . . . . . . 5824 1 1222 . 1 1 103 103 ILE HG22 H 1 1.03 0.02 . 1 . . . . . . . . 5824 1 1223 . 1 1 103 103 ILE HG23 H 1 1.03 0.02 . 1 . . . . . . . . 5824 1 1224 . 1 1 103 103 ILE HD11 H 1 1.14 0.02 . 1 . . . . . . . . 5824 1 1225 . 1 1 103 103 ILE HD12 H 1 1.14 0.02 . 1 . . . . . . . . 5824 1 1226 . 1 1 103 103 ILE HD13 H 1 1.14 0.02 . 1 . . . . . . . . 5824 1 1227 . 1 1 103 103 ILE CA C 13 59.82 0.10 . 1 . . . . . . . . 5824 1 1228 . 1 1 103 103 ILE CB C 13 39.37 0.10 . 1 . . . . . . . . 5824 1 1229 . 1 1 103 103 ILE CG1 C 13 27.63 0.10 . 1 . . . . . . . . 5824 1 1230 . 1 1 103 103 ILE CG2 C 13 17.03 0.10 . 1 . . . . . . . . 5824 1 1231 . 1 1 103 103 ILE CD1 C 13 14.85 0.10 . 1 . . . . . . . . 5824 1 1232 . 1 1 103 103 ILE N N 15 122.31 0.10 . 1 . . . . . . . . 5824 1 1233 . 1 1 104 104 PRO HA H 1 4.56 0.02 . 1 . . . . . . . . 5824 1 1234 . 1 1 104 104 PRO HB2 H 1 2.07 0.02 . 2 . . . . . . . . 5824 1 1235 . 1 1 104 104 PRO HB3 H 1 2.30 0.02 . 2 . . . . . . . . 5824 1 1236 . 1 1 104 104 PRO HG2 H 1 2.26 0.02 . 2 . . . . . . . . 5824 1 1237 . 1 1 104 104 PRO HG3 H 1 2.10 0.02 . 2 . . . . . . . . 5824 1 1238 . 1 1 104 104 PRO HD2 H 1 4.10 0.02 . 2 . . . . . . . . 5824 1 1239 . 1 1 104 104 PRO HD3 H 1 3.82 0.02 . 2 . . . . . . . . 5824 1 1240 . 1 1 104 104 PRO CA C 13 63.30 0.10 . 1 . . . . . . . . 5824 1 1241 . 1 1 104 104 PRO CB C 13 31.46 0.10 . 1 . . . . . . . . 5824 1 1242 . 1 1 104 104 PRO CG C 13 27.76 0.10 . 1 . . . . . . . . 5824 1 1243 . 1 1 104 104 PRO CD C 13 51.07 0.10 . 1 . . . . . . . . 5824 1 1244 . 1 1 105 105 ARG H H 1 8.25 0.02 . 1 . . . . . . . . 5824 1 1245 . 1 1 105 105 ARG HA H 1 4.56 0.02 . 1 . . . . . . . . 5824 1 1246 . 1 1 105 105 ARG HB2 H 1 1.75 0.02 . 2 . . . . . . . . 5824 1 1247 . 1 1 105 105 ARG HB3 H 1 1.88 0.02 . 2 . . . . . . . . 5824 1 1248 . 1 1 105 105 ARG HG2 H 1 1.64 0.02 . 1 . . . . . . . . 5824 1 1249 . 1 1 105 105 ARG HG3 H 1 1.64 0.02 . 1 . . . . . . . . 5824 1 1250 . 1 1 105 105 ARG HD2 H 1 3.15 0.02 . 1 . . . . . . . . 5824 1 1251 . 1 1 105 105 ARG HD3 H 1 3.15 0.02 . 1 . . . . . . . . 5824 1 1252 . 1 1 105 105 ARG CA C 13 55.16 0.10 . 1 . . . . . . . . 5824 1 1253 . 1 1 105 105 ARG CB C 13 32.20 0.10 . 1 . . . . . . . . 5824 1 1254 . 1 1 105 105 ARG CG C 13 26.80 0.10 . 1 . . . . . . . . 5824 1 1255 . 1 1 105 105 ARG CD C 13 43.52 0.10 . 1 . . . . . . . . 5824 1 1256 . 1 1 105 105 ARG N N 15 122.61 0.10 . 1 . . . . . . . . 5824 1 1257 . 1 1 106 106 GLU H H 1 8.39 0.02 . 1 . . . . . . . . 5824 1 1258 . 1 1 106 106 GLU HA H 1 4.40 0.02 . 1 . . . . . . . . 5824 1 1259 . 1 1 106 106 GLU HB2 H 1 1.98 0.02 . 2 . . . . . . . . 5824 1 1260 . 1 1 106 106 GLU HB3 H 1 2.09 0.02 . 2 . . . . . . . . 5824 1 1261 . 1 1 106 106 GLU HG2 H 1 2.28 0.02 . 1 . . . . . . . . 5824 1 1262 . 1 1 106 106 GLU HG3 H 1 2.28 0.02 . 1 . . . . . . . . 5824 1 1263 . 1 1 106 106 GLU CA C 13 56.76 0.10 . 1 . . . . . . . . 5824 1 1264 . 1 1 106 106 GLU CB C 13 30.51 0.10 . 1 . . . . . . . . 5824 1 1265 . 1 1 106 106 GLU CG C 13 36.48 0.10 . 1 . . . . . . . . 5824 1 1266 . 1 1 106 106 GLU N N 15 122.19 0.10 . 1 . . . . . . . . 5824 1 1267 . 1 1 107 107 VAL H H 1 7.70 0.02 . 1 . . . . . . . . 5824 1 1268 . 1 1 107 107 VAL HA H 1 4.09 0.02 . 1 . . . . . . . . 5824 1 1269 . 1 1 107 107 VAL HB H 1 2.12 0.02 . 1 . . . . . . . . 5824 1 1270 . 1 1 107 107 VAL HG11 H 1 0.91 0.02 . 2 . . . . . . . . 5824 1 1271 . 1 1 107 107 VAL HG12 H 1 0.91 0.02 . 2 . . . . . . . . 5824 1 1272 . 1 1 107 107 VAL HG13 H 1 0.91 0.02 . 2 . . . . . . . . 5824 1 1273 . 1 1 107 107 VAL HG21 H 1 0.93 0.02 . 2 . . . . . . . . 5824 1 1274 . 1 1 107 107 VAL HG22 H 1 0.93 0.02 . 2 . . . . . . . . 5824 1 1275 . 1 1 107 107 VAL HG23 H 1 0.93 0.02 . 2 . . . . . . . . 5824 1 1276 . 1 1 107 107 VAL CA C 13 63.68 0.10 . 1 . . . . . . . . 5824 1 1277 . 1 1 107 107 VAL CB C 13 33.48 0.10 . 1 . . . . . . . . 5824 1 1278 . 1 1 107 107 VAL CG1 C 13 20.23 0.10 . 2 . . . . . . . . 5824 1 1279 . 1 1 107 107 VAL CG2 C 13 21.75 0.10 . 2 . . . . . . . . 5824 1 1280 . 1 1 107 107 VAL N N 15 125.06 0.10 . 1 . . . . . . . . 5824 1 stop_ save_