data_18318 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18318 _Entry.Title ; Solution structure of CHCH5 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-03-09 _Entry.Accession_date 2012-03-09 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'Solution structure of CHCH5 by NMR' _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 Riccardo Peruzzini . . . 18318 2 Simone Ciofi-Baffoni . . . 18318 3 Lucia Banci . . . 18318 4 Ivano Bertini . . . 18318 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18318 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'CHCH domain' . 18318 'Mia40-dependent disulfide relay system' . 18318 'mitochondrial import' . 18318 nmr . 18318 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18318 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 264 18318 '15N chemical shifts' 73 18318 '1H chemical shifts' 323 18318 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-02-11 2012-03-09 update BMRB 'update entry citation' 18318 1 . . 2012-09-14 2012-03-09 original author 'original release' 18318 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LQL 'BMRB Entry Tracking System' 18318 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18318 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22842048 _Citation.Full_citation . _Citation.Title 'Structural characterization of CHCHD5 and CHCHD7: two atypical human twin CX9C proteins.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Struct. Biol.' _Citation.Journal_name_full 'Journal of structural biology' _Citation.Journal_volume 180 _Citation.Journal_issue 1 _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 190 _Citation.Page_last 200 _Citation.Year 2012 _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 Lucia Banci . . . 18318 1 2 Ivano Bertini . . . 18318 1 3 Simone Ciofi-Baffoni . . . 18318 1 4 Deepa Jaiswal . . . 18318 1 5 Sara Neri . . . 18318 1 6 Riccardo Peruzzini . . . 18318 1 7 Julia Winkelmann . . . 18318 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18318 _Assembly.ID 1 _Assembly.Name CHCH5 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 CHCH5 1 $entity A . yes native no no . . . 18318 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 15 15 SG . 1 . 1 CYS 47 47 SG . . . . . . . . . . 18318 1 2 disulfide single . 1 . 1 CYS 25 25 SG . 1 . 1 CYS 37 37 SG . . . . . . . . . . 18318 1 3 disulfide single . 1 . 1 CYS 61 61 SG . 1 . 1 CYS 92 92 SG . . . . . . . . . . 18318 1 4 disulfide single . 1 . 1 CYS 71 71 SG . 1 . 1 CYS 82 82 SG . . . . . . . . . . 18318 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 18318 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMQAALEVTARYCGRELE QYGQCVAAKPESWQRDCHYL KMSIAQCTSSHPIIRQIRQA CAQPFEAFEECLRQNEAAVG NCAEHMRRFLQCAEQVQPPR SPATVEAQPLPAS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details no _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 113 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9607.965 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2LQL . "Solution Structure Of Chch5" . . . . . 100.00 113 100.00 100.00 2.95e-75 . . . . 18318 1 2 no DBJ BAC04922 . "unnamed protein product [Homo sapiens]" . . . . . 92.92 158 98.10 99.05 1.32e-67 . . . . 18318 1 3 no DBJ BAG35152 . "unnamed protein product [Homo sapiens]" . . . . . 97.35 110 99.09 99.09 7.16e-71 . . . . 18318 1 4 no GB AAH04498 . "Coiled-coil-helix-coiled-coil-helix domain containing 5 [Homo sapiens]" . . . . . 97.35 110 100.00 100.00 1.68e-72 . . . . 18318 1 5 no GB AAX82000 . "unknown [Homo sapiens]" . . . . . 97.35 110 100.00 100.00 1.68e-72 . . . . 18318 1 6 no GB AIC52539 . "CHCHD5, partial [synthetic construct]" . . . . . 97.35 110 100.00 100.00 1.68e-72 . . . . 18318 1 7 no GB EAW73594 . "coiled-coil-helix-coiled-coil-helix domain containing 5, isoform CRA_a [Homo sapiens]" . . . . . 97.35 110 100.00 100.00 1.68e-72 . . . . 18318 1 8 no GB EAW73595 . "coiled-coil-helix-coiled-coil-helix domain containing 5, isoform CRA_b [Homo sapiens]" . . . . . 63.72 72 100.00 100.00 7.42e-42 . . . . 18318 1 9 no REF NP_001291282 . "coiled-coil-helix-coiled-coil-helix domain-containing protein 5 isoform b [Homo sapiens]" . . . . . 63.72 72 100.00 100.00 7.42e-42 . . . . 18318 1 10 no REF NP_001291283 . "coiled-coil-helix-coiled-coil-helix domain-containing protein 5 isoform b [Homo sapiens]" . . . . . 63.72 72 100.00 100.00 7.42e-42 . . . . 18318 1 11 no REF NP_115685 . "coiled-coil-helix-coiled-coil-helix domain-containing protein 5 isoform a [Homo sapiens]" . . . . . 97.35 110 100.00 100.00 1.68e-72 . . . . 18318 1 12 no REF XP_002811830 . "PREDICTED: coiled-coil-helix-coiled-coil-helix domain-containing protein 5 isoform X2 [Pongo abelii]" . . . . . 97.35 110 100.00 100.00 1.68e-72 . . . . 18318 1 13 no REF XP_003277729 . "PREDICTED: coiled-coil-helix-coiled-coil-helix domain-containing protein 5 isoform X3 [Nomascus leucogenys]" . . . . . 97.35 110 98.18 98.18 6.56e-71 . . . . 18318 1 14 no SP Q9BSY4 . "RecName: Full=Coiled-coil-helix-coiled-coil-helix domain-containing protein 5" . . . . . 97.35 110 100.00 100.00 1.68e-72 . . . . 18318 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 18318 1 2 . SER . 18318 1 3 . HIS . 18318 1 4 . MET . 18318 1 5 . GLN . 18318 1 6 . ALA . 18318 1 7 . ALA . 18318 1 8 . LEU . 18318 1 9 . GLU . 18318 1 10 . VAL . 18318 1 11 . THR . 18318 1 12 . ALA . 18318 1 13 . ARG . 18318 1 14 11 TYR . 18318 1 15 12 CYS . 18318 1 16 13 GLY . 18318 1 17 14 ARG . 18318 1 18 15 GLU . 18318 1 19 16 LEU . 18318 1 20 17 GLU . 18318 1 21 18 GLN . 18318 1 22 19 TYR . 18318 1 23 20 GLY . 18318 1 24 21 GLN . 18318 1 25 22 CYS . 18318 1 26 23 VAL . 18318 1 27 24 ALA . 18318 1 28 25 ALA . 18318 1 29 26 LYS . 18318 1 30 27 PRO . 18318 1 31 28 GLU . 18318 1 32 29 SER . 18318 1 33 30 TRP . 18318 1 34 31 GLN . 18318 1 35 32 ARG . 18318 1 36 33 ASP . 18318 1 37 34 CYS . 18318 1 38 35 HIS . 18318 1 39 36 TYR . 18318 1 40 37 LEU . 18318 1 41 38 LYS . 18318 1 42 39 MET . 18318 1 43 40 SER . 18318 1 44 41 ILE . 18318 1 45 42 ALA . 18318 1 46 43 GLN . 18318 1 47 44 CYS . 18318 1 48 45 THR . 18318 1 49 46 SER . 18318 1 50 47 SER . 18318 1 51 48 HIS . 18318 1 52 49 PRO . 18318 1 53 50 ILE . 18318 1 54 51 ILE . 18318 1 55 52 ARG . 18318 1 56 53 GLN . 18318 1 57 54 ILE . 18318 1 58 55 ARG . 18318 1 59 56 GLN . 18318 1 60 57 ALA . 18318 1 61 58 CYS . 18318 1 62 59 ALA . 18318 1 63 60 GLN . 18318 1 64 61 PRO . 18318 1 65 62 PHE . 18318 1 66 63 GLU . 18318 1 67 64 ALA . 18318 1 68 65 PHE . 18318 1 69 66 GLU . 18318 1 70 67 GLU . 18318 1 71 68 CYS . 18318 1 72 69 LEU . 18318 1 73 70 ARG . 18318 1 74 71 GLN . 18318 1 75 72 ASN . 18318 1 76 73 GLU . 18318 1 77 74 ALA . 18318 1 78 75 ALA . 18318 1 79 76 VAL . 18318 1 80 77 GLY . 18318 1 81 78 ASN . 18318 1 82 79 CYS . 18318 1 83 80 ALA . 18318 1 84 81 GLU . 18318 1 85 82 HIS . 18318 1 86 83 MET . 18318 1 87 84 ARG . 18318 1 88 85 ARG . 18318 1 89 86 PHE . 18318 1 90 87 LEU . 18318 1 91 88 GLN . 18318 1 92 89 CYS . 18318 1 93 90 ALA . 18318 1 94 91 GLU . 18318 1 95 92 GLN . 18318 1 96 93 VAL . 18318 1 97 . GLN . 18318 1 98 . PRO . 18318 1 99 . PRO . 18318 1 100 . ARG . 18318 1 101 . SER . 18318 1 102 . PRO . 18318 1 103 . ALA . 18318 1 104 . THR . 18318 1 105 . VAL . 18318 1 106 . GLU . 18318 1 107 . ALA . 18318 1 108 . GLN . 18318 1 109 . PRO . 18318 1 110 . LEU . 18318 1 111 . PRO . 18318 1 112 . ALA . 18318 1 113 . SER . 18318 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 18318 1 . SER 2 2 18318 1 . HIS 3 3 18318 1 . MET 4 4 18318 1 . GLN 5 5 18318 1 . ALA 6 6 18318 1 . ALA 7 7 18318 1 . LEU 8 8 18318 1 . GLU 9 9 18318 1 . VAL 10 10 18318 1 . THR 11 11 18318 1 . ALA 12 12 18318 1 . ARG 13 13 18318 1 . TYR 14 14 18318 1 . CYS 15 15 18318 1 . GLY 16 16 18318 1 . ARG 17 17 18318 1 . GLU 18 18 18318 1 . LEU 19 19 18318 1 . GLU 20 20 18318 1 . GLN 21 21 18318 1 . TYR 22 22 18318 1 . GLY 23 23 18318 1 . GLN 24 24 18318 1 . CYS 25 25 18318 1 . VAL 26 26 18318 1 . ALA 27 27 18318 1 . ALA 28 28 18318 1 . LYS 29 29 18318 1 . PRO 30 30 18318 1 . GLU 31 31 18318 1 . SER 32 32 18318 1 . TRP 33 33 18318 1 . GLN 34 34 18318 1 . ARG 35 35 18318 1 . ASP 36 36 18318 1 . CYS 37 37 18318 1 . HIS 38 38 18318 1 . TYR 39 39 18318 1 . LEU 40 40 18318 1 . LYS 41 41 18318 1 . MET 42 42 18318 1 . SER 43 43 18318 1 . ILE 44 44 18318 1 . ALA 45 45 18318 1 . GLN 46 46 18318 1 . CYS 47 47 18318 1 . THR 48 48 18318 1 . SER 49 49 18318 1 . SER 50 50 18318 1 . HIS 51 51 18318 1 . PRO 52 52 18318 1 . ILE 53 53 18318 1 . ILE 54 54 18318 1 . ARG 55 55 18318 1 . GLN 56 56 18318 1 . ILE 57 57 18318 1 . ARG 58 58 18318 1 . GLN 59 59 18318 1 . ALA 60 60 18318 1 . CYS 61 61 18318 1 . ALA 62 62 18318 1 . GLN 63 63 18318 1 . PRO 64 64 18318 1 . PHE 65 65 18318 1 . GLU 66 66 18318 1 . ALA 67 67 18318 1 . PHE 68 68 18318 1 . GLU 69 69 18318 1 . GLU 70 70 18318 1 . CYS 71 71 18318 1 . LEU 72 72 18318 1 . ARG 73 73 18318 1 . GLN 74 74 18318 1 . ASN 75 75 18318 1 . GLU 76 76 18318 1 . ALA 77 77 18318 1 . ALA 78 78 18318 1 . VAL 79 79 18318 1 . GLY 80 80 18318 1 . ASN 81 81 18318 1 . CYS 82 82 18318 1 . ALA 83 83 18318 1 . GLU 84 84 18318 1 . HIS 85 85 18318 1 . MET 86 86 18318 1 . ARG 87 87 18318 1 . ARG 88 88 18318 1 . PHE 89 89 18318 1 . LEU 90 90 18318 1 . GLN 91 91 18318 1 . CYS 92 92 18318 1 . ALA 93 93 18318 1 . GLU 94 94 18318 1 . GLN 95 95 18318 1 . VAL 96 96 18318 1 . GLN 97 97 18318 1 . PRO 98 98 18318 1 . PRO 99 99 18318 1 . ARG 100 100 18318 1 . SER 101 101 18318 1 . PRO 102 102 18318 1 . ALA 103 103 18318 1 . THR 104 104 18318 1 . VAL 105 105 18318 1 . GLU 106 106 18318 1 . ALA 107 107 18318 1 . GLN 108 108 18318 1 . PRO 109 109 18318 1 . LEU 110 110 18318 1 . PRO 111 111 18318 1 . ALA 112 112 18318 1 . SER 113 113 18318 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 18318 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . CHCHD5 . . . . 18318 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 18318 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21-Origami(DE3) . . . . . . . . . . . . . . . pET15 . . . . . . 18318 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18318 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-100% 15N]' . . 1 $entity . . 0.5-1 . . mM . . . . 18318 1 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18318 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18318 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18318 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18318 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 0.5-1 . . mM . . . . 18318 2 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18318 2 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18318 2 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18318 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18318 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 18318 1 pH 7.0 . pH 18318 1 pressure 1 . atm 18318 1 temperature 308 . K 18318 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18318 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18318 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18318 1 processing 18318 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 18318 _Software.ID 2 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 18318 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18318 2 stop_ save_ save_PECAN _Software.Sf_category software _Software.Sf_framecode PECAN _Software.Entry_ID 18318 _Software.ID 3 _Software.Name PECAN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Eghbalnia, Wang, Bahrami, Assadi, and Markley' . . 18318 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18318 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 18318 _Software.ID 4 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 18318 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18318 4 stop_ save_ save_CANDID _Software.Sf_category software _Software.Sf_framecode CANDID _Software.Entry_ID 18318 _Software.ID 5 _Software.Name CANDID _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann, Guntert and Wuthrich' . . 18318 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18318 5 stop_ save_ save_ATNOS _Software.Sf_category software _Software.Sf_framecode ATNOS _Software.Entry_ID 18318 _Software.ID 6 _Software.Name ATNOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann, Guntert and Wuthrich' . . 18318 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 18318 6 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18318 _Software.ID 7 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18318 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18318 7 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 18318 _Software.ID 8 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . 18318 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18318 8 stop_ save_ save_WhatIF _Software.Sf_category software _Software.Sf_framecode WhatIF _Software.Entry_ID 18318 _Software.ID 9 _Software.Name WhatIF _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Vriend . . 18318 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18318 9 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 18318 _Software.ID 10 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 18318 10 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18318 10 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 18318 _Software.ID 11 _Software.Name PSVS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 18318 11 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18318 11 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 18318 _Software.ID 12 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 18318 12 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18318 12 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18318 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18318 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 18318 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18318 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 18318 1 2 spectrometer_2 Bruker Avance . 700 . . . 18318 1 3 spectrometer_3 Bruker Avance . 900 . . . 18318 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 18318 _Experiment_list.ID 1 _Experiment_list.Details 'The structure was determined using a combination of NOE and dihedral angle data.' loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18318 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18318 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18318 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18318 1 5 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18318 1 6 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18318 1 7 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18318 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18318 1 9 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18318 1 10 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18318 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18318 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18318 1 13 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18318 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18318 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 dioxane 'methylene carbon' . . . . ppm 69.3 external indirect 0 . . . . . . . . . 18318 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18318 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18318 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18318 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 5 '3D HNCACB' . . . 18318 1 6 '3D HNCO' . . . 18318 1 7 '3D HNCA' . . . 18318 1 12 '3D 1H-15N NOESY' . . . 18318 1 13 '3D 1H-13C NOESY aliphatic' . . . 18318 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 14 14 TYR H H 1 8.25 0.02 . 1 . . . A 11 TYR H . 18318 1 2 . 1 1 14 14 TYR HA H 1 4.10 0.02 . 1 . . . A 11 TYR HA . 18318 1 3 . 1 1 14 14 TYR C C 13 178.9 0.3 . 1 . . . A 11 TYR C . 18318 1 4 . 1 1 14 14 TYR CA C 13 57.7 0.3 . 1 . . . A 11 TYR CA . 18318 1 5 . 1 1 14 14 TYR CB C 13 40.8 0.3 . 1 . . . A 11 TYR CB . 18318 1 6 . 1 1 14 14 TYR N N 15 120.4 0.3 . 1 . . . A 11 TYR N . 18318 1 7 . 1 1 15 15 CYS H H 1 8.28 0.02 . 1 . . . A 12 CYS H . 18318 1 8 . 1 1 15 15 CYS C C 13 175.5 0.3 . 1 . . . A 12 CYS C . 18318 1 9 . 1 1 15 15 CYS CA C 13 53.7 0.3 . 1 . . . A 12 CYS CA . 18318 1 10 . 1 1 15 15 CYS CB C 13 36.7 0.3 . 1 . . . A 12 CYS CB . 18318 1 11 . 1 1 15 15 CYS N N 15 117.5 0.3 . 1 . . . A 12 CYS N . 18318 1 12 . 1 1 16 16 GLY H H 1 8.08 0.02 . 1 . . . A 13 GLY H . 18318 1 13 . 1 1 16 16 GLY HA2 H 1 4.04 0.02 . 2 . . . A 13 GLY HA2 . 18318 1 14 . 1 1 16 16 GLY HA3 H 1 3.73 0.02 . 2 . . . A 13 GLY HA3 . 18318 1 15 . 1 1 16 16 GLY C C 13 176.6 0.3 . 1 . . . A 13 GLY C . 18318 1 16 . 1 1 16 16 GLY CA C 13 47.9 0.3 . 1 . . . A 13 GLY CA . 18318 1 17 . 1 1 16 16 GLY N N 15 108.7 0.3 . 1 . . . A 13 GLY N . 18318 1 18 . 1 1 17 17 ARG H H 1 8.63 0.02 . 1 . . . A 14 ARG H . 18318 1 19 . 1 1 17 17 ARG HA H 1 3.96 0.02 . 1 . . . A 14 ARG HA . 18318 1 20 . 1 1 17 17 ARG HB2 H 1 1.90 0.02 . 2 . . . A 14 ARG HB2 . 18318 1 21 . 1 1 17 17 ARG HB3 H 1 1.79 0.02 . 2 . . . A 14 ARG HB3 . 18318 1 22 . 1 1 17 17 ARG HG2 H 1 1.73 0.02 . 2 . . . A 14 ARG HG2 . 18318 1 23 . 1 1 17 17 ARG HG3 H 1 1.58 0.02 . 2 . . . A 14 ARG HG3 . 18318 1 24 . 1 1 17 17 ARG C C 13 179.3 0.3 . 1 . . . A 14 ARG C . 18318 1 25 . 1 1 17 17 ARG CA C 13 59.2 0.3 . 1 . . . A 14 ARG CA . 18318 1 26 . 1 1 17 17 ARG CB C 13 29.1 0.3 . 1 . . . A 14 ARG CB . 18318 1 27 . 1 1 17 17 ARG CG C 13 25.4 0.3 . 1 . . . A 14 ARG CG . 18318 1 28 . 1 1 17 17 ARG CD C 13 40.7 0.3 . 1 . . . A 14 ARG CD . 18318 1 29 . 1 1 17 17 ARG N N 15 123.3 0.3 . 1 . . . A 14 ARG N . 18318 1 30 . 1 1 18 18 GLU H H 1 9.67 0.02 . 1 . . . A 15 GLU H . 18318 1 31 . 1 1 18 18 GLU HA H 1 4.17 0.02 . 1 . . . A 15 GLU HA . 18318 1 32 . 1 1 18 18 GLU HB2 H 1 2.05 0.02 . 2 . . . A 15 GLU HB2 . 18318 1 33 . 1 1 18 18 GLU HB3 H 1 1.89 0.02 . 2 . . . A 15 GLU HB3 . 18318 1 34 . 1 1 18 18 GLU C C 13 177.9 0.3 . 1 . . . A 15 GLU C . 18318 1 35 . 1 1 18 18 GLU CA C 13 61.1 0.3 . 1 . . . A 15 GLU CA . 18318 1 36 . 1 1 18 18 GLU CB C 13 28.2 0.3 . 1 . . . A 15 GLU CB . 18318 1 37 . 1 1 18 18 GLU CG C 13 33.3 0.3 . 1 . . . A 15 GLU CG . 18318 1 38 . 1 1 18 18 GLU N N 15 121.9 0.3 . 1 . . . A 15 GLU N . 18318 1 39 . 1 1 19 19 LEU H H 1 8.09 0.02 . 1 . . . A 16 LEU H . 18318 1 40 . 1 1 19 19 LEU CA C 13 59.9 0.3 . 1 . . . A 16 LEU CA . 18318 1 41 . 1 1 19 19 LEU N N 15 119.4 0.3 . 1 . . . A 16 LEU N . 18318 1 42 . 1 1 20 20 GLU HA H 1 3.68 0.02 . 1 . . . A 17 GLU HA . 18318 1 43 . 1 1 20 20 GLU C C 13 177.2 0.3 . 1 . . . A 17 GLU C . 18318 1 44 . 1 1 20 20 GLU CA C 13 59.3 0.3 . 1 . . . A 17 GLU CA . 18318 1 45 . 1 1 20 20 GLU CB C 13 29.0 0.3 . 1 . . . A 17 GLU CB . 18318 1 46 . 1 1 21 21 GLN H H 1 8.56 0.02 . 1 . . . A 18 GLN H . 18318 1 47 . 1 1 21 21 GLN HA H 1 4.04 0.02 . 1 . . . A 18 GLN HA . 18318 1 48 . 1 1 21 21 GLN HB2 H 1 2.07 0.02 . 2 . . . A 18 GLN HB2 . 18318 1 49 . 1 1 21 21 GLN HB3 H 1 1.96 0.02 . 2 . . . A 18 GLN HB3 . 18318 1 50 . 1 1 21 21 GLN HG2 H 1 2.51 0.02 . 2 . . . A 18 GLN HG2 . 18318 1 51 . 1 1 21 21 GLN HG3 H 1 2.43 0.02 . 2 . . . A 18 GLN HG3 . 18318 1 52 . 1 1 21 21 GLN C C 13 177.2 0.3 . 1 . . . A 18 GLN C . 18318 1 53 . 1 1 21 21 GLN CA C 13 59.0 0.3 . 1 . . . A 18 GLN CA . 18318 1 54 . 1 1 21 21 GLN CB C 13 28.7 0.3 . 1 . . . A 18 GLN CB . 18318 1 55 . 1 1 21 21 GLN CG C 13 31.1 0.3 . 1 . . . A 18 GLN CG . 18318 1 56 . 1 1 21 21 GLN N N 15 118.5 0.3 . 1 . . . A 18 GLN N . 18318 1 57 . 1 1 22 22 TYR H H 1 8.12 0.02 . 1 . . . A 19 TYR H . 18318 1 58 . 1 1 22 22 TYR HA H 1 4.28 0.02 . 1 . . . A 19 TYR HA . 18318 1 59 . 1 1 22 22 TYR HB2 H 1 3.18 0.02 . 2 . . . A 19 TYR HB2 . 18318 1 60 . 1 1 22 22 TYR HB3 H 1 3.08 0.02 . 2 . . . A 19 TYR HB3 . 18318 1 61 . 1 1 22 22 TYR C C 13 176.6 0.3 . 1 . . . A 19 TYR C . 18318 1 62 . 1 1 22 22 TYR CA C 13 62.1 0.3 . 1 . . . A 19 TYR CA . 18318 1 63 . 1 1 22 22 TYR CB C 13 38.9 0.3 . 1 . . . A 19 TYR CB . 18318 1 64 . 1 1 22 22 TYR N N 15 120.7 0.3 . 1 . . . A 19 TYR N . 18318 1 65 . 1 1 23 23 GLY H H 1 8.39 0.02 . 1 . . . A 20 GLY H . 18318 1 66 . 1 1 23 23 GLY C C 13 176.7 0.3 . 1 . . . A 20 GLY C . 18318 1 67 . 1 1 23 23 GLY CA C 13 47.1 0.3 . 1 . . . A 20 GLY CA . 18318 1 68 . 1 1 23 23 GLY N N 15 105.6 0.3 . 1 . . . A 20 GLY N . 18318 1 69 . 1 1 24 24 GLN H H 1 8.13 0.02 . 1 . . . A 21 GLN H . 18318 1 70 . 1 1 24 24 GLN HA H 1 4.05 0.02 . 1 . . . A 21 GLN HA . 18318 1 71 . 1 1 24 24 GLN HB2 H 1 2.22 0.02 . 2 . . . A 21 GLN HB2 . 18318 1 72 . 1 1 24 24 GLN HB3 H 1 2.13 0.02 . 2 . . . A 21 GLN HB3 . 18318 1 73 . 1 1 24 24 GLN HG2 H 1 2.52 0.02 . 2 . . . A 21 GLN HG2 . 18318 1 74 . 1 1 24 24 GLN HG3 H 1 2.44 0.02 . 2 . . . A 21 GLN HG3 . 18318 1 75 . 1 1 24 24 GLN C C 13 178.0 0.3 . 1 . . . A 21 GLN C . 18318 1 76 . 1 1 24 24 GLN CA C 13 58.6 0.3 . 1 . . . A 21 GLN CA . 18318 1 77 . 1 1 24 24 GLN CB C 13 27.6 0.3 . 1 . . . A 21 GLN CB . 18318 1 78 . 1 1 24 24 GLN CG C 13 31.5 0.3 . 1 . . . A 21 GLN CG . 18318 1 79 . 1 1 24 24 GLN N N 15 120.3 0.3 . 1 . . . A 21 GLN N . 18318 1 80 . 1 1 25 25 CYS H H 1 7.61 0.02 . 1 . . . A 22 CYS H . 18318 1 81 . 1 1 25 25 CYS HA H 1 4.28 0.02 . 1 . . . A 22 CYS HA . 18318 1 82 . 1 1 25 25 CYS HB2 H 1 3.06 0.02 . 2 . . . A 22 CYS HB2 . 18318 1 83 . 1 1 25 25 CYS HB3 H 1 3.32 0.02 . 2 . . . A 22 CYS HB3 . 18318 1 84 . 1 1 25 25 CYS C C 13 175.4 0.3 . 1 . . . A 22 CYS C . 18318 1 85 . 1 1 25 25 CYS CA C 13 60.6 0.3 . 1 . . . A 22 CYS CA . 18318 1 86 . 1 1 25 25 CYS CB C 13 39.9 0.3 . 1 . . . A 22 CYS CB . 18318 1 87 . 1 1 25 25 CYS N N 15 121.5 0.3 . 1 . . . A 22 CYS N . 18318 1 88 . 1 1 26 26 VAL H H 1 8.04 0.02 . 1 . . . A 23 VAL H . 18318 1 89 . 1 1 26 26 VAL HA H 1 3.79 0.02 . 1 . . . A 23 VAL HA . 18318 1 90 . 1 1 26 26 VAL HB H 1 2.11 0.02 . 1 . . . A 23 VAL HB . 18318 1 91 . 1 1 26 26 VAL HG11 H 1 1.06 0.02 . 1 . . . A 23 VAL HG11 . 18318 1 92 . 1 1 26 26 VAL HG12 H 1 1.06 0.02 . 1 . . . A 23 VAL HG12 . 18318 1 93 . 1 1 26 26 VAL HG13 H 1 1.06 0.02 . 1 . . . A 23 VAL HG13 . 18318 1 94 . 1 1 26 26 VAL HG21 H 1 0.88 0.02 . 1 . . . A 23 VAL HG21 . 18318 1 95 . 1 1 26 26 VAL HG22 H 1 0.88 0.02 . 1 . . . A 23 VAL HG22 . 18318 1 96 . 1 1 26 26 VAL HG23 H 1 0.88 0.02 . 1 . . . A 23 VAL HG23 . 18318 1 97 . 1 1 26 26 VAL C C 13 177.1 0.3 . 1 . . . A 23 VAL C . 18318 1 98 . 1 1 26 26 VAL CA C 13 65.9 0.3 . 1 . . . A 23 VAL CA . 18318 1 99 . 1 1 26 26 VAL CB C 13 29.3 0.3 . 1 . . . A 23 VAL CB . 18318 1 100 . 1 1 26 26 VAL N N 15 119.9 0.3 . 1 . . . A 23 VAL N . 18318 1 101 . 1 1 27 27 ALA H H 1 7.43 0.02 . 1 . . . A 24 ALA H . 18318 1 102 . 1 1 27 27 ALA HA H 1 4.10 0.02 . 1 . . . A 24 ALA HA . 18318 1 103 . 1 1 27 27 ALA HB1 H 1 1.53 0.02 . 1 . . . A 24 ALA HB1 . 18318 1 104 . 1 1 27 27 ALA HB2 H 1 1.53 0.02 . 1 . . . A 24 ALA HB2 . 18318 1 105 . 1 1 27 27 ALA HB3 H 1 1.53 0.02 . 1 . . . A 24 ALA HB3 . 18318 1 106 . 1 1 27 27 ALA C C 13 178.6 0.3 . 1 . . . A 24 ALA C . 18318 1 107 . 1 1 27 27 ALA CA C 13 54.1 0.3 . 1 . . . A 24 ALA CA . 18318 1 108 . 1 1 27 27 ALA CB C 13 17.9 0.3 . 1 . . . A 24 ALA CB . 18318 1 109 . 1 1 27 27 ALA N N 15 117.4 0.3 . 1 . . . A 24 ALA N . 18318 1 110 . 1 1 28 28 ALA H H 1 7.12 0.02 . 1 . . . A 25 ALA H . 18318 1 111 . 1 1 28 28 ALA HA H 1 4.33 0.02 . 1 . . . A 25 ALA HA . 18318 1 112 . 1 1 28 28 ALA HB1 H 1 1.65 0.02 . 1 . . . A 25 ALA HB1 . 18318 1 113 . 1 1 28 28 ALA HB2 H 1 1.65 0.02 . 1 . . . A 25 ALA HB2 . 18318 1 114 . 1 1 28 28 ALA HB3 H 1 1.65 0.02 . 1 . . . A 25 ALA HB3 . 18318 1 115 . 1 1 28 28 ALA C C 13 178.1 0.3 . 1 . . . A 25 ALA C . 18318 1 116 . 1 1 28 28 ALA CA C 13 52.6 0.3 . 1 . . . A 25 ALA CA . 18318 1 117 . 1 1 28 28 ALA CB C 13 19.1 0.3 . 1 . . . A 25 ALA CB . 18318 1 118 . 1 1 28 28 ALA N N 15 116.1 0.3 . 1 . . . A 25 ALA N . 18318 1 119 . 1 1 29 29 LYS H H 1 7.56 0.02 . 1 . . . A 26 LYS H . 18318 1 120 . 1 1 29 29 LYS CA C 13 58.7 0.3 . 1 . . . A 26 LYS CA . 18318 1 121 . 1 1 29 29 LYS CB C 13 32.1 0.3 . 1 . . . A 26 LYS CB . 18318 1 122 . 1 1 29 29 LYS N N 15 119.2 0.3 . 1 . . . A 26 LYS N . 18318 1 123 . 1 1 30 30 PRO HA H 1 4.21 0.02 . 1 . . . A 27 PRO HA . 18318 1 124 . 1 1 30 30 PRO C C 13 177.0 0.3 . 1 . . . A 27 PRO C . 18318 1 125 . 1 1 30 30 PRO CA C 13 65.9 0.3 . 1 . . . A 27 PRO CA . 18318 1 126 . 1 1 30 30 PRO CB C 13 31.6 0.3 . 1 . . . A 27 PRO CB . 18318 1 127 . 1 1 31 31 GLU H H 1 8.77 0.02 . 1 . . . A 28 GLU H . 18318 1 128 . 1 1 31 31 GLU HA H 1 4.45 0.02 . 1 . . . A 28 GLU HA . 18318 1 129 . 1 1 31 31 GLU C C 13 176.1 0.3 . 1 . . . A 28 GLU C . 18318 1 130 . 1 1 31 31 GLU CA C 13 57.2 0.3 . 1 . . . A 28 GLU CA . 18318 1 131 . 1 1 31 31 GLU CB C 13 29.6 0.3 . 1 . . . A 28 GLU CB . 18318 1 132 . 1 1 31 31 GLU CG C 13 33.4 0.3 . 1 . . . A 28 GLU CG . 18318 1 133 . 1 1 31 31 GLU N N 15 114.6 0.3 . 1 . . . A 28 GLU N . 18318 1 134 . 1 1 32 32 SER H H 1 7.75 0.02 . 1 . . . A 29 SER H . 18318 1 135 . 1 1 32 32 SER HA H 1 4.51 0.02 . 1 . . . A 29 SER HA . 18318 1 136 . 1 1 32 32 SER C C 13 176.6 0.3 . 1 . . . A 29 SER C . 18318 1 137 . 1 1 32 32 SER CA C 13 58.5 0.3 . 1 . . . A 29 SER CA . 18318 1 138 . 1 1 32 32 SER CB C 13 63.8 0.3 . 1 . . . A 29 SER CB . 18318 1 139 . 1 1 32 32 SER N N 15 111.0 0.3 . 1 . . . A 29 SER N . 18318 1 140 . 1 1 33 33 TRP H H 1 7.82 0.02 . 1 . . . A 30 TRP H . 18318 1 141 . 1 1 33 33 TRP C C 13 177.2 0.3 . 1 . . . A 30 TRP C . 18318 1 142 . 1 1 33 33 TRP CA C 13 60.0 0.3 . 1 . . . A 30 TRP CA . 18318 1 143 . 1 1 33 33 TRP CB C 13 29.5 0.3 . 1 . . . A 30 TRP CB . 18318 1 144 . 1 1 33 33 TRP N N 15 125.0 0.3 . 1 . . . A 30 TRP N . 18318 1 145 . 1 1 34 34 GLN H H 1 8.24 0.02 . 1 . . . A 31 GLN H . 18318 1 146 . 1 1 34 34 GLN HA H 1 4.45 0.02 . 1 . . . A 31 GLN HA . 18318 1 147 . 1 1 34 34 GLN HB2 H 1 2.03 0.02 . 2 . . . A 31 GLN HB2 . 18318 1 148 . 1 1 34 34 GLN HB3 H 1 1.92 0.02 . 2 . . . A 31 GLN HB3 . 18318 1 149 . 1 1 34 34 GLN C C 13 176.8 0.3 . 1 . . . A 31 GLN C . 18318 1 150 . 1 1 34 34 GLN CA C 13 59.9 0.3 . 1 . . . A 31 GLN CA . 18318 1 151 . 1 1 34 34 GLN CB C 13 26.5 0.3 . 1 . . . A 31 GLN CB . 18318 1 152 . 1 1 34 34 GLN N N 15 123.6 0.3 . 1 . . . A 31 GLN N . 18318 1 153 . 1 1 35 35 ARG H H 1 7.45 0.02 . 1 . . . A 32 ARG H . 18318 1 154 . 1 1 35 35 ARG HA H 1 4.28 0.02 . 1 . . . A 32 ARG HA . 18318 1 155 . 1 1 35 35 ARG HB2 H 1 1.77 0.02 . 2 . . . A 32 ARG HB2 . 18318 1 156 . 1 1 35 35 ARG HB3 H 1 1.68 0.02 . 2 . . . A 32 ARG HB3 . 18318 1 157 . 1 1 35 35 ARG C C 13 178.9 0.3 . 1 . . . A 32 ARG C . 18318 1 158 . 1 1 35 35 ARG CA C 13 57.4 0.3 . 1 . . . A 32 ARG CA . 18318 1 159 . 1 1 35 35 ARG CB C 13 31.3 0.3 . 1 . . . A 32 ARG CB . 18318 1 160 . 1 1 35 35 ARG CG C 13 24.3 0.3 . 1 . . . A 32 ARG CG . 18318 1 161 . 1 1 35 35 ARG CD C 13 40.8 0.3 . 1 . . . A 32 ARG CD . 18318 1 162 . 1 1 35 35 ARG N N 15 115.9 0.3 . 1 . . . A 32 ARG N . 18318 1 163 . 1 1 36 36 ASP H H 1 8.76 0.02 . 1 . . . A 33 ASP H . 18318 1 164 . 1 1 36 36 ASP HA H 1 4.14 0.02 . 1 . . . A 33 ASP HA . 18318 1 165 . 1 1 36 36 ASP HB2 H 1 2.86 0.02 . 2 . . . A 33 ASP HB2 . 18318 1 166 . 1 1 36 36 ASP HB3 H 1 2.48 0.02 . 2 . . . A 33 ASP HB3 . 18318 1 167 . 1 1 36 36 ASP C C 13 177.6 0.3 . 1 . . . A 33 ASP C . 18318 1 168 . 1 1 36 36 ASP CA C 13 57.2 0.3 . 1 . . . A 33 ASP CA . 18318 1 169 . 1 1 36 36 ASP CB C 13 40.9 0.3 . 1 . . . A 33 ASP CB . 18318 1 170 . 1 1 36 36 ASP N N 15 117.7 0.3 . 1 . . . A 33 ASP N . 18318 1 171 . 1 1 37 37 CYS H H 1 8.26 0.02 . 1 . . . A 34 CYS H . 18318 1 172 . 1 1 37 37 CYS HA H 1 5.40 0.02 . 1 . . . A 34 CYS HA . 18318 1 173 . 1 1 37 37 CYS HB2 H 1 3.52 0.02 . 2 . . . A 34 CYS HB2 . 18318 1 174 . 1 1 37 37 CYS HB3 H 1 3.30 0.02 . 2 . . . A 34 CYS HB3 . 18318 1 175 . 1 1 37 37 CYS C C 13 175.8 0.3 . 1 . . . A 34 CYS C . 18318 1 176 . 1 1 37 37 CYS CA C 13 53.1 0.3 . 1 . . . A 34 CYS CA . 18318 1 177 . 1 1 37 37 CYS CB C 13 39.5 0.3 . 1 . . . A 34 CYS CB . 18318 1 178 . 1 1 37 37 CYS N N 15 113.3 0.3 . 1 . . . A 34 CYS N . 18318 1 179 . 1 1 38 38 HIS H H 1 7.52 0.02 . 1 . . . A 35 HIS H . 18318 1 180 . 1 1 38 38 HIS HA H 1 4.35 0.02 . 1 . . . A 35 HIS HA . 18318 1 181 . 1 1 38 38 HIS C C 13 177.4 0.3 . 1 . . . A 35 HIS C . 18318 1 182 . 1 1 38 38 HIS CA C 13 61.0 0.3 . 1 . . . A 35 HIS CA . 18318 1 183 . 1 1 38 38 HIS CB C 13 30.6 0.3 . 1 . . . A 35 HIS CB . 18318 1 184 . 1 1 38 38 HIS N N 15 124.2 0.3 . 1 . . . A 35 HIS N . 18318 1 185 . 1 1 39 39 TYR H H 1 8.93 0.02 . 1 . . . A 36 TYR H . 18318 1 186 . 1 1 39 39 TYR HA H 1 4.30 0.02 . 1 . . . A 36 TYR HA . 18318 1 187 . 1 1 39 39 TYR C C 13 177.7 0.3 . 1 . . . A 36 TYR C . 18318 1 188 . 1 1 39 39 TYR CA C 13 60.6 0.3 . 1 . . . A 36 TYR CA . 18318 1 189 . 1 1 39 39 TYR CB C 13 36.2 0.3 . 1 . . . A 36 TYR CB . 18318 1 190 . 1 1 39 39 TYR N N 15 117.1 0.3 . 1 . . . A 36 TYR N . 18318 1 191 . 1 1 40 40 LEU H H 1 6.94 0.02 . 1 . . . A 37 LEU H . 18318 1 192 . 1 1 40 40 LEU HA H 1 4.17 0.02 . 1 . . . A 37 LEU HA . 18318 1 193 . 1 1 40 40 LEU HD11 H 1 0.88 0.02 . 1 . . . A 37 LEU HD11 . 18318 1 194 . 1 1 40 40 LEU HD12 H 1 0.88 0.02 . 1 . . . A 37 LEU HD12 . 18318 1 195 . 1 1 40 40 LEU HD13 H 1 0.88 0.02 . 1 . . . A 37 LEU HD13 . 18318 1 196 . 1 1 40 40 LEU HD21 H 1 0.77 0.02 . 1 . . . A 37 LEU HD21 . 18318 1 197 . 1 1 40 40 LEU HD22 H 1 0.77 0.02 . 1 . . . A 37 LEU HD22 . 18318 1 198 . 1 1 40 40 LEU HD23 H 1 0.77 0.02 . 1 . . . A 37 LEU HD23 . 18318 1 199 . 1 1 40 40 LEU C C 13 179.4 0.3 . 1 . . . A 37 LEU C . 18318 1 200 . 1 1 40 40 LEU CA C 13 56.5 0.3 . 1 . . . A 37 LEU CA . 18318 1 201 . 1 1 40 40 LEU CB C 13 42.4 0.3 . 1 . . . A 37 LEU CB . 18318 1 202 . 1 1 40 40 LEU CG C 13 24.6 0.3 . 1 . . . A 37 LEU CG . 18318 1 203 . 1 1 40 40 LEU CD1 C 13 22.1 0.3 . 1 . . . A 37 LEU CD1 . 18318 1 204 . 1 1 40 40 LEU CD2 C 13 21.0 0.3 . 1 . . . A 37 LEU CD2 . 18318 1 205 . 1 1 40 40 LEU N N 15 122.0 0.3 . 1 . . . A 37 LEU N . 18318 1 206 . 1 1 41 41 LYS H H 1 7.88 0.02 . 1 . . . A 38 LYS H . 18318 1 207 . 1 1 41 41 LYS C C 13 179.6 0.3 . 1 . . . A 38 LYS C . 18318 1 208 . 1 1 41 41 LYS CA C 13 59.6 0.3 . 1 . . . A 38 LYS CA . 18318 1 209 . 1 1 41 41 LYS CB C 13 31.0 0.3 . 1 . . . A 38 LYS CB . 18318 1 210 . 1 1 41 41 LYS N N 15 125.3 0.3 . 1 . . . A 38 LYS N . 18318 1 211 . 1 1 42 42 MET H H 1 8.09 0.02 . 1 . . . A 39 MET H . 18318 1 212 . 1 1 42 42 MET HA H 1 4.12 0.02 . 1 . . . A 39 MET HA . 18318 1 213 . 1 1 42 42 MET C C 13 178.9 0.3 . 1 . . . A 39 MET C . 18318 1 214 . 1 1 42 42 MET CA C 13 57.2 0.3 . 1 . . . A 39 MET CA . 18318 1 215 . 1 1 42 42 MET CB C 13 30.0 0.3 . 1 . . . A 39 MET CB . 18318 1 216 . 1 1 42 42 MET N N 15 117.6 0.3 . 1 . . . A 39 MET N . 18318 1 217 . 1 1 43 43 SER H H 1 7.60 0.02 . 1 . . . A 40 SER H . 18318 1 218 . 1 1 43 43 SER HA H 1 4.29 0.02 . 1 . . . A 40 SER HA . 18318 1 219 . 1 1 43 43 SER C C 13 177.4 0.3 . 1 . . . A 40 SER C . 18318 1 220 . 1 1 43 43 SER CA C 13 61.7 0.3 . 1 . . . A 40 SER CA . 18318 1 221 . 1 1 43 43 SER CB C 13 62.5 0.3 . 1 . . . A 40 SER CB . 18318 1 222 . 1 1 43 43 SER N N 15 115.9 0.3 . 1 . . . A 40 SER N . 18318 1 223 . 1 1 44 44 ILE H H 1 7.54 0.02 . 1 . . . A 41 ILE H . 18318 1 224 . 1 1 44 44 ILE HA H 1 3.54 0.02 . 1 . . . A 41 ILE HA . 18318 1 225 . 1 1 44 44 ILE HB H 1 1.93 0.02 . 1 . . . A 41 ILE HB . 18318 1 226 . 1 1 44 44 ILE HG21 H 1 0.84 0.02 . 1 . . . A 41 ILE HG21 . 18318 1 227 . 1 1 44 44 ILE HG22 H 1 0.84 0.02 . 1 . . . A 41 ILE HG22 . 18318 1 228 . 1 1 44 44 ILE HG23 H 1 0.84 0.02 . 1 . . . A 41 ILE HG23 . 18318 1 229 . 1 1 44 44 ILE HD11 H 1 0.74 0.02 . 1 . . . A 41 ILE HD11 . 18318 1 230 . 1 1 44 44 ILE HD12 H 1 0.74 0.02 . 1 . . . A 41 ILE HD12 . 18318 1 231 . 1 1 44 44 ILE HD13 H 1 0.74 0.02 . 1 . . . A 41 ILE HD13 . 18318 1 232 . 1 1 44 44 ILE C C 13 177.5 0.3 . 1 . . . A 41 ILE C . 18318 1 233 . 1 1 44 44 ILE CA C 13 66.1 0.3 . 1 . . . A 41 ILE CA . 18318 1 234 . 1 1 44 44 ILE CB C 13 37.9 0.3 . 1 . . . A 41 ILE CB . 18318 1 235 . 1 1 44 44 ILE CG1 C 13 26.2 0.3 . 1 . . . A 41 ILE CG1 . 18318 1 236 . 1 1 44 44 ILE CG2 C 13 15.1 0.3 . 1 . . . A 41 ILE CG2 . 18318 1 237 . 1 1 44 44 ILE CD1 C 13 12.3 0.3 . 1 . . . A 41 ILE CD1 . 18318 1 238 . 1 1 44 44 ILE N N 15 121.9 0.3 . 1 . . . A 41 ILE N . 18318 1 239 . 1 1 45 45 ALA H H 1 7.42 0.02 . 1 . . . A 42 ALA H . 18318 1 240 . 1 1 45 45 ALA HA H 1 4.18 0.02 . 1 . . . A 42 ALA HA . 18318 1 241 . 1 1 45 45 ALA HB1 H 1 1.50 0.02 . 1 . . . A 42 ALA HB1 . 18318 1 242 . 1 1 45 45 ALA HB2 H 1 1.50 0.02 . 1 . . . A 42 ALA HB2 . 18318 1 243 . 1 1 45 45 ALA HB3 H 1 1.50 0.02 . 1 . . . A 42 ALA HB3 . 18318 1 244 . 1 1 45 45 ALA C C 13 180.2 0.3 . 1 . . . A 42 ALA C . 18318 1 245 . 1 1 45 45 ALA CA C 13 54.8 0.3 . 1 . . . A 42 ALA CA . 18318 1 246 . 1 1 45 45 ALA CB C 13 17.3 0.3 . 1 . . . A 42 ALA CB . 18318 1 247 . 1 1 45 45 ALA N N 15 122.6 0.3 . 1 . . . A 42 ALA N . 18318 1 248 . 1 1 46 46 GLN H H 1 8.29 0.02 . 1 . . . A 43 GLN H . 18318 1 249 . 1 1 46 46 GLN HA H 1 3.97 0.02 . 1 . . . A 43 GLN HA . 18318 1 250 . 1 1 46 46 GLN HG2 H 1 2.60 0.02 . 2 . . . A 43 GLN HG2 . 18318 1 251 . 1 1 46 46 GLN HG3 H 1 2.34 0.02 . 2 . . . A 43 GLN HG3 . 18318 1 252 . 1 1 46 46 GLN C C 13 178.5 0.3 . 1 . . . A 43 GLN C . 18318 1 253 . 1 1 46 46 GLN CA C 13 58.7 0.3 . 1 . . . A 43 GLN CA . 18318 1 254 . 1 1 46 46 GLN CB C 13 27.8 0.3 . 1 . . . A 43 GLN CB . 18318 1 255 . 1 1 46 46 GLN CG C 13 31.6 0.3 . 1 . . . A 43 GLN CG . 18318 1 256 . 1 1 46 46 GLN N N 15 118.4 0.3 . 1 . . . A 43 GLN N . 18318 1 257 . 1 1 47 47 CYS H H 1 7.59 0.02 . 1 . . . A 44 CYS H . 18318 1 258 . 1 1 47 47 CYS HA H 1 4.09 0.02 . 1 . . . A 44 CYS HA . 18318 1 259 . 1 1 47 47 CYS HB2 H 1 3.34 0.02 . 2 . . . A 44 CYS HB2 . 18318 1 260 . 1 1 47 47 CYS HB3 H 1 3.24 0.02 . 2 . . . A 44 CYS HB3 . 18318 1 261 . 1 1 47 47 CYS C C 13 176.5 0.3 . 1 . . . A 44 CYS C . 18318 1 262 . 1 1 47 47 CYS CA C 13 60.3 0.3 . 1 . . . A 44 CYS CA . 18318 1 263 . 1 1 47 47 CYS CB C 13 39.9 0.3 . 1 . . . A 44 CYS CB . 18318 1 264 . 1 1 47 47 CYS N N 15 119.5 0.3 . 1 . . . A 44 CYS N . 18318 1 265 . 1 1 48 48 THR H H 1 8.81 0.02 . 1 . . . A 45 THR H . 18318 1 266 . 1 1 48 48 THR C C 13 175.9 0.3 . 1 . . . A 45 THR C . 18318 1 267 . 1 1 48 48 THR CA C 13 65.4 0.3 . 1 . . . A 45 THR CA . 18318 1 268 . 1 1 48 48 THR CB C 13 68.8 0.3 . 1 . . . A 45 THR CB . 18318 1 269 . 1 1 48 48 THR N N 15 113.0 0.3 . 1 . . . A 45 THR N . 18318 1 270 . 1 1 49 49 SER H H 1 7.89 0.02 . 1 . . . A 46 SER H . 18318 1 271 . 1 1 49 49 SER HA H 1 4.38 0.02 . 1 . . . A 46 SER HA . 18318 1 272 . 1 1 49 49 SER HB2 H 1 3.92 0.02 . 2 . . . A 46 SER HB2 . 18318 1 273 . 1 1 49 49 SER HB3 H 1 3.86 0.02 . 2 . . . A 46 SER HB3 . 18318 1 274 . 1 1 49 49 SER C C 13 175.6 0.3 . 1 . . . A 46 SER C . 18318 1 275 . 1 1 49 49 SER CA C 13 60.0 0.3 . 1 . . . A 46 SER CA . 18318 1 276 . 1 1 49 49 SER CB C 13 63.9 0.3 . 1 . . . A 46 SER CB . 18318 1 277 . 1 1 49 49 SER N N 15 113.2 0.3 . 1 . . . A 46 SER N . 18318 1 278 . 1 1 50 50 SER H H 1 7.77 0.02 . 1 . . . A 47 SER H . 18318 1 279 . 1 1 50 50 SER HA H 1 4.39 0.02 . 1 . . . A 47 SER HA . 18318 1 280 . 1 1 50 50 SER HB2 H 1 3.92 0.02 . 2 . . . A 47 SER HB2 . 18318 1 281 . 1 1 50 50 SER HB3 H 1 3.87 0.02 . 2 . . . A 47 SER HB3 . 18318 1 282 . 1 1 50 50 SER CA C 13 59.1 0.3 . 1 . . . A 47 SER CA . 18318 1 283 . 1 1 50 50 SER CB C 13 64.8 0.3 . 1 . . . A 47 SER CB . 18318 1 284 . 1 1 50 50 SER N N 15 114.1 0.3 . 1 . . . A 47 SER N . 18318 1 285 . 1 1 55 55 ARG HA H 1 4.59 0.02 . 1 . . . A 52 ARG HA . 18318 1 286 . 1 1 55 55 ARG C C 13 178.5 0.3 . 1 . . . A 52 ARG C . 18318 1 287 . 1 1 55 55 ARG CA C 13 60.0 0.3 . 1 . . . A 52 ARG CA . 18318 1 288 . 1 1 56 56 GLN H H 1 8.11 0.02 . 1 . . . A 53 GLN H . 18318 1 289 . 1 1 56 56 GLN C C 13 175.0 0.3 . 1 . . . A 53 GLN C . 18318 1 290 . 1 1 56 56 GLN CA C 13 60.2 0.3 . 1 . . . A 53 GLN CA . 18318 1 291 . 1 1 56 56 GLN N N 15 117.7 0.3 . 1 . . . A 53 GLN N . 18318 1 292 . 1 1 57 57 ILE H H 1 7.82 0.02 . 1 . . . A 54 ILE H . 18318 1 293 . 1 1 57 57 ILE HA H 1 3.32 0.02 . 1 . . . A 54 ILE HA . 18318 1 294 . 1 1 57 57 ILE HB H 1 1.90 0.02 . 1 . . . A 54 ILE HB . 18318 1 295 . 1 1 57 57 ILE HG12 H 1 1.02 0.02 . 2 . . . A 54 ILE HG12 . 18318 1 296 . 1 1 57 57 ILE HG13 H 1 0.96 0.02 . 2 . . . A 54 ILE HG13 . 18318 1 297 . 1 1 57 57 ILE HG21 H 1 0.85 0.02 . 1 . . . A 54 ILE HG21 . 18318 1 298 . 1 1 57 57 ILE HG22 H 1 0.85 0.02 . 1 . . . A 54 ILE HG22 . 18318 1 299 . 1 1 57 57 ILE HG23 H 1 0.85 0.02 . 1 . . . A 54 ILE HG23 . 18318 1 300 . 1 1 57 57 ILE HD11 H 1 0.82 0.02 . 1 . . . A 54 ILE HD11 . 18318 1 301 . 1 1 57 57 ILE HD12 H 1 0.82 0.02 . 1 . . . A 54 ILE HD12 . 18318 1 302 . 1 1 57 57 ILE HD13 H 1 0.82 0.02 . 1 . . . A 54 ILE HD13 . 18318 1 303 . 1 1 57 57 ILE C C 13 178.7 0.3 . 1 . . . A 54 ILE C . 18318 1 304 . 1 1 57 57 ILE CA C 13 66.0 0.3 . 1 . . . A 54 ILE CA . 18318 1 305 . 1 1 57 57 ILE CB C 13 37.7 0.3 . 1 . . . A 54 ILE CB . 18318 1 306 . 1 1 57 57 ILE CG1 C 13 26.5 0.3 . 1 . . . A 54 ILE CG1 . 18318 1 307 . 1 1 57 57 ILE CG2 C 13 15.1 0.3 . 1 . . . A 54 ILE CG2 . 18318 1 308 . 1 1 57 57 ILE CD1 C 13 12.0 0.3 . 1 . . . A 54 ILE CD1 . 18318 1 309 . 1 1 57 57 ILE N N 15 121.2 0.3 . 1 . . . A 54 ILE N . 18318 1 310 . 1 1 58 58 ARG H H 1 8.25 0.02 . 1 . . . A 55 ARG H . 18318 1 311 . 1 1 58 58 ARG HA H 1 4.31 0.02 . 1 . . . A 55 ARG HA . 18318 1 312 . 1 1 58 58 ARG C C 13 178.6 0.3 . 1 . . . A 55 ARG C . 18318 1 313 . 1 1 58 58 ARG CA C 13 59.9 0.3 . 1 . . . A 55 ARG CA . 18318 1 314 . 1 1 58 58 ARG CB C 13 31.5 0.3 . 1 . . . A 55 ARG CB . 18318 1 315 . 1 1 58 58 ARG N N 15 118.9 0.3 . 1 . . . A 55 ARG N . 18318 1 316 . 1 1 59 59 GLN H H 1 7.92 0.02 . 1 . . . A 56 GLN H . 18318 1 317 . 1 1 59 59 GLN C C 13 178.1 0.3 . 1 . . . A 56 GLN C . 18318 1 318 . 1 1 59 59 GLN CA C 13 58.0 0.3 . 1 . . . A 56 GLN CA . 18318 1 319 . 1 1 59 59 GLN CB C 13 28.8 0.3 . 1 . . . A 56 GLN CB . 18318 1 320 . 1 1 59 59 GLN N N 15 115.8 0.3 . 1 . . . A 56 GLN N . 18318 1 321 . 1 1 60 60 ALA H H 1 8.49 0.02 . 1 . . . A 57 ALA H . 18318 1 322 . 1 1 60 60 ALA HA H 1 4.18 0.02 . 1 . . . A 57 ALA HA . 18318 1 323 . 1 1 60 60 ALA HB1 H 1 1.63 0.02 . 1 . . . A 57 ALA HB1 . 18318 1 324 . 1 1 60 60 ALA HB2 H 1 1.63 0.02 . 1 . . . A 57 ALA HB2 . 18318 1 325 . 1 1 60 60 ALA HB3 H 1 1.63 0.02 . 1 . . . A 57 ALA HB3 . 18318 1 326 . 1 1 60 60 ALA C C 13 179.6 0.3 . 1 . . . A 57 ALA C . 18318 1 327 . 1 1 60 60 ALA CA C 13 54.5 0.3 . 1 . . . A 57 ALA CA . 18318 1 328 . 1 1 60 60 ALA CB C 13 18.9 0.3 . 1 . . . A 57 ALA CB . 18318 1 329 . 1 1 60 60 ALA N N 15 121.6 0.3 . 1 . . . A 57 ALA N . 18318 1 330 . 1 1 61 61 CYS H H 1 8.37 0.02 . 1 . . . A 58 CYS H . 18318 1 331 . 1 1 61 61 CYS HA H 1 5.13 0.02 . 1 . . . A 58 CYS HA . 18318 1 332 . 1 1 61 61 CYS HB2 H 1 2.89 0.02 . 2 . . . A 58 CYS HB2 . 18318 1 333 . 1 1 61 61 CYS HB3 H 1 2.55 0.02 . 2 . . . A 58 CYS HB3 . 18318 1 334 . 1 1 61 61 CYS C C 13 175.0 0.3 . 1 . . . A 58 CYS C . 18318 1 335 . 1 1 61 61 CYS CA C 13 52.7 0.3 . 1 . . . A 58 CYS CA . 18318 1 336 . 1 1 61 61 CYS CB C 13 39.8 0.3 . 1 . . . A 58 CYS CB . 18318 1 337 . 1 1 61 61 CYS N N 15 114.0 0.3 . 1 . . . A 58 CYS N . 18318 1 338 . 1 1 62 62 ALA H H 1 7.20 0.02 . 1 . . . A 59 ALA H . 18318 1 339 . 1 1 62 62 ALA HA H 1 4.27 0.02 . 1 . . . A 59 ALA HA . 18318 1 340 . 1 1 62 62 ALA HB1 H 1 1.68 0.02 . 1 . . . A 59 ALA HB1 . 18318 1 341 . 1 1 62 62 ALA HB2 H 1 1.68 0.02 . 1 . . . A 59 ALA HB2 . 18318 1 342 . 1 1 62 62 ALA HB3 H 1 1.68 0.02 . 1 . . . A 59 ALA HB3 . 18318 1 343 . 1 1 62 62 ALA C C 13 179.2 0.3 . 1 . . . A 59 ALA C . 18318 1 344 . 1 1 62 62 ALA CA C 13 56.5 0.3 . 1 . . . A 59 ALA CA . 18318 1 345 . 1 1 62 62 ALA CB C 13 18.8 0.3 . 1 . . . A 59 ALA CB . 18318 1 346 . 1 1 62 62 ALA N N 15 124.9 0.3 . 1 . . . A 59 ALA N . 18318 1 347 . 1 1 63 63 GLN H H 1 9.04 0.02 . 1 . . . A 60 GLN H . 18318 1 348 . 1 1 63 63 GLN HA H 1 4.48 0.02 . 1 . . . A 60 GLN HA . 18318 1 349 . 1 1 63 63 GLN HB2 H 1 2.35 0.02 . 2 . . . A 60 GLN HB2 . 18318 1 350 . 1 1 63 63 GLN HB3 H 1 2.25 0.02 . 2 . . . A 60 GLN HB3 . 18318 1 351 . 1 1 63 63 GLN HG2 H 1 2.56 0.02 . 2 . . . A 60 GLN HG2 . 18318 1 352 . 1 1 63 63 GLN HG3 H 1 2.48 0.02 . 2 . . . A 60 GLN HG3 . 18318 1 353 . 1 1 63 63 GLN CA C 13 61.2 0.3 . 1 . . . A 60 GLN CA . 18318 1 354 . 1 1 63 63 GLN CB C 13 24.7 0.3 . 1 . . . A 60 GLN CB . 18318 1 355 . 1 1 63 63 GLN CG C 13 31.8 0.3 . 1 . . . A 60 GLN CG . 18318 1 356 . 1 1 63 63 GLN N N 15 115.8 0.3 . 1 . . . A 60 GLN N . 18318 1 357 . 1 1 64 64 PRO C C 13 179.7 0.3 . 1 . . . A 61 PRO C . 18318 1 358 . 1 1 64 64 PRO CA C 13 65.6 0.3 . 1 . . . A 61 PRO CA . 18318 1 359 . 1 1 64 64 PRO CB C 13 30.8 0.3 . 1 . . . A 61 PRO CB . 18318 1 360 . 1 1 65 65 PHE H H 1 8.50 0.02 . 1 . . . A 62 PHE H . 18318 1 361 . 1 1 65 65 PHE HA H 1 4.28 0.02 . 1 . . . A 62 PHE HA . 18318 1 362 . 1 1 65 65 PHE HB2 H 1 3.19 0.02 . 2 . . . A 62 PHE HB2 . 18318 1 363 . 1 1 65 65 PHE HB3 H 1 3.11 0.02 . 2 . . . A 62 PHE HB3 . 18318 1 364 . 1 1 65 65 PHE C C 13 176.4 0.3 . 1 . . . A 62 PHE C . 18318 1 365 . 1 1 65 65 PHE CA C 13 62.4 0.3 . 1 . . . A 62 PHE CA . 18318 1 366 . 1 1 65 65 PHE CB C 13 38.6 0.3 . 1 . . . A 62 PHE CB . 18318 1 367 . 1 1 65 65 PHE N N 15 120.5 0.3 . 1 . . . A 62 PHE N . 18318 1 368 . 1 1 66 66 GLU H H 1 8.90 0.02 . 1 . . . A 63 GLU H . 18318 1 369 . 1 1 66 66 GLU HA H 1 4.03 0.02 . 1 . . . A 63 GLU HA . 18318 1 370 . 1 1 66 66 GLU HB2 H 1 2.21 0.02 . 2 . . . A 63 GLU HB2 . 18318 1 371 . 1 1 66 66 GLU HB3 H 1 2.13 0.02 . 2 . . . A 63 GLU HB3 . 18318 1 372 . 1 1 66 66 GLU HG2 H 1 2.39 0.02 . 2 . . . A 63 GLU HG2 . 18318 1 373 . 1 1 66 66 GLU HG3 H 1 2.28 0.02 . 2 . . . A 63 GLU HG3 . 18318 1 374 . 1 1 66 66 GLU C C 13 179.3 0.3 . 1 . . . A 63 GLU C . 18318 1 375 . 1 1 66 66 GLU CA C 13 59.2 0.3 . 1 . . . A 63 GLU CA . 18318 1 376 . 1 1 66 66 GLU CB C 13 28.5 0.3 . 1 . . . A 63 GLU CB . 18318 1 377 . 1 1 66 66 GLU CG C 13 33.8 0.3 . 1 . . . A 63 GLU CG . 18318 1 378 . 1 1 66 66 GLU N N 15 120.2 0.3 . 1 . . . A 63 GLU N . 18318 1 379 . 1 1 67 67 ALA H H 1 8.15 0.02 . 1 . . . A 64 ALA H . 18318 1 380 . 1 1 67 67 ALA HA H 1 3.87 0.02 . 1 . . . A 64 ALA HA . 18318 1 381 . 1 1 67 67 ALA HB1 H 1 1.44 0.02 . 1 . . . A 64 ALA HB1 . 18318 1 382 . 1 1 67 67 ALA HB2 H 1 1.44 0.02 . 1 . . . A 64 ALA HB2 . 18318 1 383 . 1 1 67 67 ALA HB3 H 1 1.44 0.02 . 1 . . . A 64 ALA HB3 . 18318 1 384 . 1 1 67 67 ALA C C 13 180.5 0.3 . 1 . . . A 64 ALA C . 18318 1 385 . 1 1 67 67 ALA CA C 13 54.7 0.3 . 1 . . . A 64 ALA CA . 18318 1 386 . 1 1 67 67 ALA CB C 13 18.1 0.3 . 1 . . . A 64 ALA CB . 18318 1 387 . 1 1 67 67 ALA N N 15 120.6 0.3 . 1 . . . A 64 ALA N . 18318 1 388 . 1 1 68 68 PHE H H 1 7.81 0.02 . 1 . . . A 65 PHE H . 18318 1 389 . 1 1 68 68 PHE HA H 1 4.32 0.02 . 1 . . . A 65 PHE HA . 18318 1 390 . 1 1 68 68 PHE HB2 H 1 3.21 0.02 . 2 . . . A 65 PHE HB2 . 18318 1 391 . 1 1 68 68 PHE HB3 H 1 3.11 0.02 . 2 . . . A 65 PHE HB3 . 18318 1 392 . 1 1 68 68 PHE C C 13 175.4 0.3 . 1 . . . A 65 PHE C . 18318 1 393 . 1 1 68 68 PHE CA C 13 59.8 0.3 . 1 . . . A 65 PHE CA . 18318 1 394 . 1 1 68 68 PHE CB C 13 38.0 0.3 . 1 . . . A 65 PHE CB . 18318 1 395 . 1 1 68 68 PHE N N 15 120.0 0.3 . 1 . . . A 65 PHE N . 18318 1 396 . 1 1 69 69 GLU H H 1 8.33 0.02 . 1 . . . A 66 GLU H . 18318 1 397 . 1 1 69 69 GLU HA H 1 4.17 0.02 . 1 . . . A 66 GLU HA . 18318 1 398 . 1 1 69 69 GLU HB2 H 1 2.02 0.02 . 2 . . . A 66 GLU HB2 . 18318 1 399 . 1 1 69 69 GLU HB3 H 1 1.92 0.02 . 2 . . . A 66 GLU HB3 . 18318 1 400 . 1 1 69 69 GLU C C 13 178.8 0.3 . 1 . . . A 66 GLU C . 18318 1 401 . 1 1 69 69 GLU CA C 13 60.2 0.3 . 1 . . . A 66 GLU CA . 18318 1 402 . 1 1 69 69 GLU CB C 13 29.1 0.3 . 1 . . . A 66 GLU CB . 18318 1 403 . 1 1 69 69 GLU N N 15 119.4 0.3 . 1 . . . A 66 GLU N . 18318 1 404 . 1 1 70 70 GLU H H 1 8.24 0.02 . 1 . . . A 67 GLU H . 18318 1 405 . 1 1 70 70 GLU HA H 1 3.97 0.02 . 1 . . . A 67 GLU HA . 18318 1 406 . 1 1 70 70 GLU HB2 H 1 1.91 0.02 . 2 . . . A 67 GLU HB2 . 18318 1 407 . 1 1 70 70 GLU HB3 H 1 1.76 0.02 . 2 . . . A 67 GLU HB3 . 18318 1 408 . 1 1 70 70 GLU HG2 H 1 2.34 0.02 . 2 . . . A 67 GLU HG2 . 18318 1 409 . 1 1 70 70 GLU HG3 H 1 2.22 0.02 . 2 . . . A 67 GLU HG3 . 18318 1 410 . 1 1 70 70 GLU C C 13 177.7 0.3 . 1 . . . A 67 GLU C . 18318 1 411 . 1 1 70 70 GLU CA C 13 58.8 0.3 . 1 . . . A 67 GLU CA . 18318 1 412 . 1 1 70 70 GLU CB C 13 28.7 0.3 . 1 . . . A 67 GLU CB . 18318 1 413 . 1 1 70 70 GLU CG C 13 33.7 0.3 . 1 . . . A 67 GLU CG . 18318 1 414 . 1 1 70 70 GLU N N 15 118.6 0.3 . 1 . . . A 67 GLU N . 18318 1 415 . 1 1 71 71 CYS H H 1 7.58 0.02 . 1 . . . A 68 CYS H . 18318 1 416 . 1 1 71 71 CYS HA H 1 4.08 0.02 . 1 . . . A 68 CYS HA . 18318 1 417 . 1 1 71 71 CYS HB2 H 1 3.29 0.02 . 2 . . . A 68 CYS HB2 . 18318 1 418 . 1 1 71 71 CYS HB3 H 1 3.17 0.02 . 2 . . . A 68 CYS HB3 . 18318 1 419 . 1 1 71 71 CYS C C 13 177.9 0.3 . 1 . . . A 68 CYS C . 18318 1 420 . 1 1 71 71 CYS CA C 13 60.6 0.3 . 1 . . . A 68 CYS CA . 18318 1 421 . 1 1 71 71 CYS CB C 13 39.0 0.3 . 1 . . . A 68 CYS CB . 18318 1 422 . 1 1 71 71 CYS N N 15 119.1 0.3 . 1 . . . A 68 CYS N . 18318 1 423 . 1 1 72 72 LEU H H 1 8.09 0.02 . 1 . . . A 69 LEU H . 18318 1 424 . 1 1 72 72 LEU HA H 1 3.70 0.02 . 1 . . . A 69 LEU HA . 18318 1 425 . 1 1 72 72 LEU HG H 1 1.72 0.02 . 1 . . . A 69 LEU HG . 18318 1 426 . 1 1 72 72 LEU HD11 H 1 1.18 0.02 . 1 . . . A 69 LEU HD11 . 18318 1 427 . 1 1 72 72 LEU HD12 H 1 1.18 0.02 . 1 . . . A 69 LEU HD12 . 18318 1 428 . 1 1 72 72 LEU HD13 H 1 1.18 0.02 . 1 . . . A 69 LEU HD13 . 18318 1 429 . 1 1 72 72 LEU HD21 H 1 0.25 0.02 . 1 . . . A 69 LEU HD21 . 18318 1 430 . 1 1 72 72 LEU HD22 H 1 0.25 0.02 . 1 . . . A 69 LEU HD22 . 18318 1 431 . 1 1 72 72 LEU HD23 H 1 0.25 0.02 . 1 . . . A 69 LEU HD23 . 18318 1 432 . 1 1 72 72 LEU C C 13 179.3 0.3 . 1 . . . A 69 LEU C . 18318 1 433 . 1 1 72 72 LEU CA C 13 57.6 0.3 . 1 . . . A 69 LEU CA . 18318 1 434 . 1 1 72 72 LEU CB C 13 41.0 0.3 . 1 . . . A 69 LEU CB . 18318 1 435 . 1 1 72 72 LEU N N 15 122.0 0.3 . 1 . . . A 69 LEU N . 18318 1 436 . 1 1 73 73 ARG H H 1 7.60 0.02 . 1 . . . A 70 ARG H . 18318 1 437 . 1 1 73 73 ARG HA H 1 4.01 0.02 . 1 . . . A 70 ARG HA . 18318 1 438 . 1 1 73 73 ARG HB2 H 1 1.91 0.02 . 2 . . . A 70 ARG HB2 . 18318 1 439 . 1 1 73 73 ARG HB3 H 1 1.85 0.02 . 2 . . . A 70 ARG HB3 . 18318 1 440 . 1 1 73 73 ARG HG2 H 1 1.68 0.02 . 2 . . . A 70 ARG HG2 . 18318 1 441 . 1 1 73 73 ARG HG3 H 1 1.53 0.02 . 2 . . . A 70 ARG HG3 . 18318 1 442 . 1 1 73 73 ARG HD2 H 1 3.19 0.02 . 2 . . . A 70 ARG HD2 . 18318 1 443 . 1 1 73 73 ARG HD3 H 1 3.08 0.02 . 2 . . . A 70 ARG HD3 . 18318 1 444 . 1 1 73 73 ARG C C 13 178.5 0.3 . 1 . . . A 70 ARG C . 18318 1 445 . 1 1 73 73 ARG CA C 13 58.7 0.3 . 1 . . . A 70 ARG CA . 18318 1 446 . 1 1 73 73 ARG CB C 13 30.1 0.3 . 1 . . . A 70 ARG CB . 18318 1 447 . 1 1 73 73 ARG CG C 13 25.1 0.3 . 1 . . . A 70 ARG CG . 18318 1 448 . 1 1 73 73 ARG CD C 13 40.6 0.3 . 1 . . . A 70 ARG CD . 18318 1 449 . 1 1 73 73 ARG N N 15 117.4 0.3 . 1 . . . A 70 ARG N . 18318 1 450 . 1 1 74 74 GLN H H 1 7.58 0.02 . 1 . . . A 71 GLN H . 18318 1 451 . 1 1 74 74 GLN HA H 1 4.29 0.02 . 1 . . . A 71 GLN HA . 18318 1 452 . 1 1 74 74 GLN HB2 H 1 2.27 0.02 . 2 . . . A 71 GLN HB2 . 18318 1 453 . 1 1 74 74 GLN HB3 H 1 2.18 0.02 . 2 . . . A 71 GLN HB3 . 18318 1 454 . 1 1 74 74 GLN HG2 H 1 2.53 0.02 . 2 . . . A 71 GLN HG2 . 18318 1 455 . 1 1 74 74 GLN HG3 H 1 2.43 0.02 . 2 . . . A 71 GLN HG3 . 18318 1 456 . 1 1 74 74 GLN C C 13 176.2 0.3 . 1 . . . A 71 GLN C . 18318 1 457 . 1 1 74 74 GLN CA C 13 56.4 0.3 . 1 . . . A 71 GLN CA . 18318 1 458 . 1 1 74 74 GLN CB C 13 29.2 0.3 . 1 . . . A 71 GLN CB . 18318 1 459 . 1 1 74 74 GLN CG C 13 31.0 0.3 . 1 . . . A 71 GLN CG . 18318 1 460 . 1 1 74 74 GLN N N 15 115.8 0.3 . 1 . . . A 71 GLN N . 18318 1 461 . 1 1 75 75 ASN H H 1 7.75 0.02 . 1 . . . A 72 ASN H . 18318 1 462 . 1 1 75 75 ASN HA H 1 4.99 0.02 . 1 . . . A 72 ASN HA . 18318 1 463 . 1 1 75 75 ASN HB2 H 1 2.88 0.02 . 2 . . . A 72 ASN HB2 . 18318 1 464 . 1 1 75 75 ASN HB3 H 1 2.54 0.02 . 2 . . . A 72 ASN HB3 . 18318 1 465 . 1 1 75 75 ASN C C 13 174.8 0.3 . 1 . . . A 72 ASN C . 18318 1 466 . 1 1 75 75 ASN CA C 13 53.0 0.3 . 1 . . . A 72 ASN CA . 18318 1 467 . 1 1 75 75 ASN CB C 13 39.8 0.3 . 1 . . . A 72 ASN CB . 18318 1 468 . 1 1 75 75 ASN N N 15 118.6 0.3 . 1 . . . A 72 ASN N . 18318 1 469 . 1 1 76 76 GLU H H 1 7.95 0.02 . 1 . . . A 73 GLU H . 18318 1 470 . 1 1 76 76 GLU HA H 1 3.96 0.02 . 1 . . . A 73 GLU HA . 18318 1 471 . 1 1 76 76 GLU HB2 H 1 2.29 0.02 . 2 . . . A 73 GLU HB2 . 18318 1 472 . 1 1 76 76 GLU HB3 H 1 2.19 0.02 . 2 . . . A 73 GLU HB3 . 18318 1 473 . 1 1 76 76 GLU HG2 H 1 2.36 0.02 . 2 . . . A 73 GLU HG2 . 18318 1 474 . 1 1 76 76 GLU HG3 H 1 2.26 0.02 . 2 . . . A 73 GLU HG3 . 18318 1 475 . 1 1 76 76 GLU C C 13 176.8 0.3 . 1 . . . A 73 GLU C . 18318 1 476 . 1 1 76 76 GLU CA C 13 59.2 0.3 . 1 . . . A 73 GLU CA . 18318 1 477 . 1 1 76 76 GLU CB C 13 29.1 0.3 . 1 . . . A 73 GLU CB . 18318 1 478 . 1 1 76 76 GLU CG C 13 33.4 0.3 . 1 . . . A 73 GLU CG . 18318 1 479 . 1 1 76 76 GLU N N 15 120.2 0.3 . 1 . . . A 73 GLU N . 18318 1 480 . 1 1 77 77 ALA H H 1 8.32 0.02 . 1 . . . A 74 ALA H . 18318 1 481 . 1 1 77 77 ALA HA H 1 4.36 0.02 . 1 . . . A 74 ALA HA . 18318 1 482 . 1 1 77 77 ALA HB1 H 1 1.37 0.02 . 1 . . . A 74 ALA HB1 . 18318 1 483 . 1 1 77 77 ALA HB2 H 1 1.37 0.02 . 1 . . . A 74 ALA HB2 . 18318 1 484 . 1 1 77 77 ALA HB3 H 1 1.37 0.02 . 1 . . . A 74 ALA HB3 . 18318 1 485 . 1 1 77 77 ALA C C 13 175.4 0.3 . 1 . . . A 74 ALA C . 18318 1 486 . 1 1 77 77 ALA CA C 13 52.1 0.3 . 1 . . . A 74 ALA CA . 18318 1 487 . 1 1 77 77 ALA CB C 13 18.2 0.3 . 1 . . . A 74 ALA CB . 18318 1 488 . 1 1 77 77 ALA N N 15 119.2 0.3 . 1 . . . A 74 ALA N . 18318 1 489 . 1 1 78 78 ALA H H 1 7.90 0.02 . 1 . . . A 75 ALA H . 18318 1 490 . 1 1 78 78 ALA HA H 1 4.38 0.02 . 1 . . . A 75 ALA HA . 18318 1 491 . 1 1 78 78 ALA HB1 H 1 1.23 0.02 . 1 . . . A 75 ALA HB1 . 18318 1 492 . 1 1 78 78 ALA HB2 H 1 1.23 0.02 . 1 . . . A 75 ALA HB2 . 18318 1 493 . 1 1 78 78 ALA HB3 H 1 1.23 0.02 . 1 . . . A 75 ALA HB3 . 18318 1 494 . 1 1 78 78 ALA C C 13 177.2 0.3 . 1 . . . A 75 ALA C . 18318 1 495 . 1 1 78 78 ALA CA C 13 51.4 0.3 . 1 . . . A 75 ALA CA . 18318 1 496 . 1 1 78 78 ALA CB C 13 18.0 0.3 . 1 . . . A 75 ALA CB . 18318 1 497 . 1 1 78 78 ALA N N 15 124.4 0.3 . 1 . . . A 75 ALA N . 18318 1 498 . 1 1 79 79 VAL H H 1 8.10 0.02 . 1 . . . A 76 VAL H . 18318 1 499 . 1 1 79 79 VAL HA H 1 3.79 0.02 . 1 . . . A 76 VAL HA . 18318 1 500 . 1 1 79 79 VAL HB H 1 2.10 0.02 . 1 . . . A 76 VAL HB . 18318 1 501 . 1 1 79 79 VAL HG11 H 1 1.03 0.02 . 1 . . . A 76 VAL HG11 . 18318 1 502 . 1 1 79 79 VAL HG12 H 1 1.03 0.02 . 1 . . . A 76 VAL HG12 . 18318 1 503 . 1 1 79 79 VAL HG13 H 1 1.03 0.02 . 1 . . . A 76 VAL HG13 . 18318 1 504 . 1 1 79 79 VAL HG21 H 1 0.95 0.02 . 1 . . . A 76 VAL HG21 . 18318 1 505 . 1 1 79 79 VAL HG22 H 1 0.95 0.02 . 1 . . . A 76 VAL HG22 . 18318 1 506 . 1 1 79 79 VAL HG23 H 1 0.95 0.02 . 1 . . . A 76 VAL HG23 . 18318 1 507 . 1 1 79 79 VAL CA C 13 65.1 0.3 . 1 . . . A 76 VAL CA . 18318 1 508 . 1 1 79 79 VAL CB C 13 31.3 0.3 . 1 . . . A 76 VAL CB . 18318 1 509 . 1 1 79 79 VAL CG1 C 13 18.8 0.3 . 1 . . . A 76 VAL CG1 . 18318 1 510 . 1 1 79 79 VAL CG2 C 13 17.6 0.3 . 1 . . . A 76 VAL CG2 . 18318 1 511 . 1 1 79 79 VAL N N 15 118.4 0.3 . 1 . . . A 76 VAL N . 18318 1 512 . 1 1 80 80 GLY C C 13 175.9 0.3 . 1 . . . A 77 GLY C . 18318 1 513 . 1 1 80 80 GLY CA C 13 46.4 0.3 . 1 . . . A 77 GLY CA . 18318 1 514 . 1 1 81 81 ASN H H 1 8.20 0.02 . 1 . . . A 78 ASN H . 18318 1 515 . 1 1 81 81 ASN HA H 1 4.60 0.02 . 1 . . . A 78 ASN HA . 18318 1 516 . 1 1 81 81 ASN HB2 H 1 2.90 0.02 . 2 . . . A 78 ASN HB2 . 18318 1 517 . 1 1 81 81 ASN HB3 H 1 2.84 0.02 . 2 . . . A 78 ASN HB3 . 18318 1 518 . 1 1 81 81 ASN C C 13 176.7 0.3 . 1 . . . A 78 ASN C . 18318 1 519 . 1 1 81 81 ASN CA C 13 54.5 0.3 . 1 . . . A 78 ASN CA . 18318 1 520 . 1 1 81 81 ASN CB C 13 37.3 0.3 . 1 . . . A 78 ASN CB . 18318 1 521 . 1 1 81 81 ASN N N 15 119.3 0.3 . 1 . . . A 78 ASN N . 18318 1 522 . 1 1 82 82 CYS H H 1 8.33 0.02 . 1 . . . A 79 CYS H . 18318 1 523 . 1 1 82 82 CYS HA H 1 5.40 0.02 . 1 . . . A 79 CYS HA . 18318 1 524 . 1 1 82 82 CYS HB2 H 1 3.57 0.02 . 2 . . . A 79 CYS HB2 . 18318 1 525 . 1 1 82 82 CYS HB3 H 1 2.90 0.02 . 2 . . . A 79 CYS HB3 . 18318 1 526 . 1 1 82 82 CYS C C 13 175.8 0.3 . 1 . . . A 79 CYS C . 18318 1 527 . 1 1 82 82 CYS CA C 13 53.5 0.3 . 1 . . . A 79 CYS CA . 18318 1 528 . 1 1 82 82 CYS CB C 13 39.3 0.3 . 1 . . . A 79 CYS CB . 18318 1 529 . 1 1 82 82 CYS N N 15 117.2 0.3 . 1 . . . A 79 CYS N . 18318 1 530 . 1 1 83 83 ALA H H 1 7.70 0.02 . 1 . . . A 80 ALA H . 18318 1 531 . 1 1 83 83 ALA HA H 1 4.15 0.02 . 1 . . . A 80 ALA HA . 18318 1 532 . 1 1 83 83 ALA HB1 H 1 1.69 0.02 . 1 . . . A 80 ALA HB1 . 18318 1 533 . 1 1 83 83 ALA HB2 H 1 1.69 0.02 . 1 . . . A 80 ALA HB2 . 18318 1 534 . 1 1 83 83 ALA HB3 H 1 1.69 0.02 . 1 . . . A 80 ALA HB3 . 18318 1 535 . 1 1 83 83 ALA C C 13 179.9 0.3 . 1 . . . A 80 ALA C . 18318 1 536 . 1 1 83 83 ALA CA C 13 56.2 0.3 . 1 . . . A 80 ALA CA . 18318 1 537 . 1 1 83 83 ALA CB C 13 18.2 0.3 . 1 . . . A 80 ALA CB . 18318 1 538 . 1 1 83 83 ALA N N 15 125.0 0.3 . 1 . . . A 80 ALA N . 18318 1 539 . 1 1 84 84 GLU H H 1 8.92 0.02 . 1 . . . A 81 GLU H . 18318 1 540 . 1 1 84 84 GLU HA H 1 3.95 0.02 . 1 . . . A 81 GLU HA . 18318 1 541 . 1 1 84 84 GLU HB2 H 1 2.04 0.02 . 2 . . . A 81 GLU HB2 . 18318 1 542 . 1 1 84 84 GLU HB3 H 1 1.91 0.02 . 2 . . . A 81 GLU HB3 . 18318 1 543 . 1 1 84 84 GLU CA C 13 59.0 0.3 . 1 . . . A 81 GLU CA . 18318 1 544 . 1 1 84 84 GLU CB C 13 28.9 0.3 . 1 . . . A 81 GLU CB . 18318 1 545 . 1 1 84 84 GLU CG C 13 32.8 0.3 . 1 . . . A 81 GLU CG . 18318 1 546 . 1 1 84 84 GLU N N 15 118.9 0.3 . 1 . . . A 81 GLU N . 18318 1 547 . 1 1 85 85 HIS C C 13 178.5 0.3 . 1 . . . A 82 HIS C . 18318 1 548 . 1 1 85 85 HIS CA C 13 56.1 0.3 . 1 . . . A 82 HIS CA . 18318 1 549 . 1 1 86 86 MET H H 1 7.46 0.02 . 1 . . . A 83 MET H . 18318 1 550 . 1 1 86 86 MET C C 13 177.2 0.3 . 1 . . . A 83 MET C . 18318 1 551 . 1 1 86 86 MET CA C 13 58.9 0.3 . 1 . . . A 83 MET CA . 18318 1 552 . 1 1 86 86 MET CB C 13 31.3 0.3 . 1 . . . A 83 MET CB . 18318 1 553 . 1 1 86 86 MET N N 15 118.8 0.3 . 1 . . . A 83 MET N . 18318 1 554 . 1 1 87 87 ARG H H 1 8.22 0.02 . 1 . . . A 84 ARG H . 18318 1 555 . 1 1 87 87 ARG HA H 1 3.91 0.02 . 1 . . . A 84 ARG HA . 18318 1 556 . 1 1 87 87 ARG HB2 H 1 1.98 0.02 . 2 . . . A 84 ARG HB2 . 18318 1 557 . 1 1 87 87 ARG HB3 H 1 1.88 0.02 . 2 . . . A 84 ARG HB3 . 18318 1 558 . 1 1 87 87 ARG HG2 H 1 1.72 0.02 . 2 . . . A 84 ARG HG2 . 18318 1 559 . 1 1 87 87 ARG HG3 H 1 1.61 0.02 . 2 . . . A 84 ARG HG3 . 18318 1 560 . 1 1 87 87 ARG C C 13 178.6 0.3 . 1 . . . A 84 ARG C . 18318 1 561 . 1 1 87 87 ARG CA C 13 59.9 0.3 . 1 . . . A 84 ARG CA . 18318 1 562 . 1 1 87 87 ARG CB C 13 29.5 0.3 . 1 . . . A 84 ARG CB . 18318 1 563 . 1 1 87 87 ARG CG C 13 24.5 0.3 . 1 . . . A 84 ARG CG . 18318 1 564 . 1 1 87 87 ARG CD C 13 40.7 0.3 . 1 . . . A 84 ARG CD . 18318 1 565 . 1 1 87 87 ARG N N 15 119.5 0.3 . 1 . . . A 84 ARG N . 18318 1 566 . 1 1 88 88 ARG H H 1 8.10 0.02 . 1 . . . A 85 ARG H . 18318 1 567 . 1 1 88 88 ARG HA H 1 3.92 0.02 . 1 . . . A 85 ARG HA . 18318 1 568 . 1 1 88 88 ARG C C 13 179.7 0.3 . 1 . . . A 85 ARG C . 18318 1 569 . 1 1 88 88 ARG CA C 13 59.5 0.3 . 1 . . . A 85 ARG CA . 18318 1 570 . 1 1 88 88 ARG CB C 13 30.0 0.3 . 1 . . . A 85 ARG CB . 18318 1 571 . 1 1 88 88 ARG CG C 13 25.2 0.3 . 1 . . . A 85 ARG CG . 18318 1 572 . 1 1 88 88 ARG CD C 13 40.5 0.3 . 1 . . . A 85 ARG CD . 18318 1 573 . 1 1 88 88 ARG N N 15 117.9 0.3 . 1 . . . A 85 ARG N . 18318 1 574 . 1 1 89 89 PHE H H 1 7.93 0.02 . 1 . . . A 86 PHE H . 18318 1 575 . 1 1 89 89 PHE HA H 1 4.35 0.02 . 1 . . . A 86 PHE HA . 18318 1 576 . 1 1 89 89 PHE HB2 H 1 3.21 0.02 . 2 . . . A 86 PHE HB2 . 18318 1 577 . 1 1 89 89 PHE HB3 H 1 3.11 0.02 . 2 . . . A 86 PHE HB3 . 18318 1 578 . 1 1 89 89 PHE C C 13 175.6 0.3 . 1 . . . A 86 PHE C . 18318 1 579 . 1 1 89 89 PHE CA C 13 61.1 0.3 . 1 . . . A 86 PHE CA . 18318 1 580 . 1 1 89 89 PHE CB C 13 37.8 0.3 . 1 . . . A 86 PHE CB . 18318 1 581 . 1 1 89 89 PHE N N 15 119.7 0.3 . 1 . . . A 86 PHE N . 18318 1 582 . 1 1 90 90 LEU H H 1 8.64 0.02 . 1 . . . A 87 LEU H . 18318 1 583 . 1 1 90 90 LEU HA H 1 3.71 0.02 . 1 . . . A 87 LEU HA . 18318 1 584 . 1 1 90 90 LEU HB2 H 1 1.88 0.02 . 2 . . . A 87 LEU HB2 . 18318 1 585 . 1 1 90 90 LEU HB3 H 1 1.45 0.02 . 2 . . . A 87 LEU HB3 . 18318 1 586 . 1 1 90 90 LEU HG H 1 1.72 0.02 . 1 . . . A 87 LEU HG . 18318 1 587 . 1 1 90 90 LEU HD11 H 1 0.88 0.02 . 1 . . . A 87 LEU HD11 . 18318 1 588 . 1 1 90 90 LEU HD12 H 1 0.88 0.02 . 1 . . . A 87 LEU HD12 . 18318 1 589 . 1 1 90 90 LEU HD13 H 1 0.88 0.02 . 1 . . . A 87 LEU HD13 . 18318 1 590 . 1 1 90 90 LEU HD21 H 1 0.62 0.02 . 1 . . . A 87 LEU HD21 . 18318 1 591 . 1 1 90 90 LEU HD22 H 1 0.62 0.02 . 1 . . . A 87 LEU HD22 . 18318 1 592 . 1 1 90 90 LEU HD23 H 1 0.62 0.02 . 1 . . . A 87 LEU HD23 . 18318 1 593 . 1 1 90 90 LEU C C 13 179.2 0.3 . 1 . . . A 87 LEU C . 18318 1 594 . 1 1 90 90 LEU CA C 13 57.7 0.3 . 1 . . . A 87 LEU CA . 18318 1 595 . 1 1 90 90 LEU CB C 13 40.3 0.3 . 1 . . . A 87 LEU CB . 18318 1 596 . 1 1 90 90 LEU CG C 13 23.0 0.3 . 1 . . . A 87 LEU CG . 18318 1 597 . 1 1 90 90 LEU CD1 C 13 22.5 0.3 . 1 . . . A 87 LEU CD1 . 18318 1 598 . 1 1 90 90 LEU CD2 C 13 20.1 0.3 . 1 . . . A 87 LEU CD2 . 18318 1 599 . 1 1 90 90 LEU N N 15 120.4 0.3 . 1 . . . A 87 LEU N . 18318 1 600 . 1 1 91 91 GLN H H 1 8.38 0.02 . 1 . . . A 88 GLN H . 18318 1 601 . 1 1 91 91 GLN HA H 1 4.04 0.02 . 1 . . . A 88 GLN HA . 18318 1 602 . 1 1 91 91 GLN HB2 H 1 2.14 0.02 . 2 . . . A 88 GLN HB2 . 18318 1 603 . 1 1 91 91 GLN HB3 H 1 2.07 0.02 . 2 . . . A 88 GLN HB3 . 18318 1 604 . 1 1 91 91 GLN HG2 H 1 2.49 0.02 . 2 . . . A 88 GLN HG2 . 18318 1 605 . 1 1 91 91 GLN HG3 H 1 2.33 0.02 . 2 . . . A 88 GLN HG3 . 18318 1 606 . 1 1 91 91 GLN C C 13 178.0 0.3 . 1 . . . A 88 GLN C . 18318 1 607 . 1 1 91 91 GLN CA C 13 58.7 0.3 . 1 . . . A 88 GLN CA . 18318 1 608 . 1 1 91 91 GLN CB C 13 28.0 0.3 . 1 . . . A 88 GLN CB . 18318 1 609 . 1 1 91 91 GLN CG C 13 31.4 0.3 . 1 . . . A 88 GLN CG . 18318 1 610 . 1 1 91 91 GLN N N 15 118.2 0.3 . 1 . . . A 88 GLN N . 18318 1 611 . 1 1 92 92 CYS H H 1 7.39 0.02 . 1 . . . A 89 CYS H . 18318 1 612 . 1 1 92 92 CYS HA H 1 4.05 0.02 . 1 . . . A 89 CYS HA . 18318 1 613 . 1 1 92 92 CYS HB2 H 1 3.39 0.02 . 2 . . . A 89 CYS HB2 . 18318 1 614 . 1 1 92 92 CYS HB3 H 1 3.29 0.02 . 2 . . . A 89 CYS HB3 . 18318 1 615 . 1 1 92 92 CYS C C 13 176.6 0.3 . 1 . . . A 89 CYS C . 18318 1 616 . 1 1 92 92 CYS CA C 13 60.1 0.3 . 1 . . . A 89 CYS CA . 18318 1 617 . 1 1 92 92 CYS CB C 13 39.5 0.3 . 1 . . . A 89 CYS CB . 18318 1 618 . 1 1 92 92 CYS N N 15 119.0 0.3 . 1 . . . A 89 CYS N . 18318 1 619 . 1 1 93 93 ALA H H 1 8.41 0.02 . 1 . . . A 90 ALA H . 18318 1 620 . 1 1 93 93 ALA HA H 1 3.91 0.02 . 1 . . . A 90 ALA HA . 18318 1 621 . 1 1 93 93 ALA HB1 H 1 1.63 0.02 . 1 . . . A 90 ALA HB1 . 18318 1 622 . 1 1 93 93 ALA HB2 H 1 1.63 0.02 . 1 . . . A 90 ALA HB2 . 18318 1 623 . 1 1 93 93 ALA HB3 H 1 1.63 0.02 . 1 . . . A 90 ALA HB3 . 18318 1 624 . 1 1 93 93 ALA C C 13 179.2 0.3 . 1 . . . A 90 ALA C . 18318 1 625 . 1 1 93 93 ALA CA C 13 54.7 0.3 . 1 . . . A 90 ALA CA . 18318 1 626 . 1 1 93 93 ALA CB C 13 17.8 0.3 . 1 . . . A 90 ALA CB . 18318 1 627 . 1 1 93 93 ALA N N 15 122.9 0.3 . 1 . . . A 90 ALA N . 18318 1 628 . 1 1 94 94 GLU H H 1 7.88 0.02 . 1 . . . A 91 GLU H . 18318 1 629 . 1 1 94 94 GLU HA H 1 4.15 0.02 . 1 . . . A 91 GLU HA . 18318 1 630 . 1 1 94 94 GLU C C 13 177.4 0.3 . 1 . . . A 91 GLU C . 18318 1 631 . 1 1 94 94 GLU CA C 13 57.9 0.3 . 1 . . . A 91 GLU CA . 18318 1 632 . 1 1 94 94 GLU CB C 13 29.4 0.3 . 1 . . . A 91 GLU CB . 18318 1 633 . 1 1 94 94 GLU CG C 13 33.9 0.3 . 1 . . . A 91 GLU CG . 18318 1 634 . 1 1 94 94 GLU N N 15 115.8 0.3 . 1 . . . A 91 GLU N . 18318 1 635 . 1 1 95 95 GLN H H 1 7.45 0.02 . 1 . . . A 92 GLN H . 18318 1 636 . 1 1 95 95 GLN HA H 1 4.29 0.02 . 1 . . . A 92 GLN HA . 18318 1 637 . 1 1 95 95 GLN HB2 H 1 2.25 0.02 . 2 . . . A 92 GLN HB2 . 18318 1 638 . 1 1 95 95 GLN HB3 H 1 2.15 0.02 . 2 . . . A 92 GLN HB3 . 18318 1 639 . 1 1 95 95 GLN HG2 H 1 2.53 0.02 . 2 . . . A 92 GLN HG2 . 18318 1 640 . 1 1 95 95 GLN HG3 H 1 2.44 0.02 . 2 . . . A 92 GLN HG3 . 18318 1 641 . 1 1 95 95 GLN C C 13 176.6 0.3 . 1 . . . A 92 GLN C . 18318 1 642 . 1 1 95 95 GLN CA C 13 56.3 0.3 . 1 . . . A 92 GLN CA . 18318 1 643 . 1 1 95 95 GLN CB C 13 28.9 0.3 . 1 . . . A 92 GLN CB . 18318 1 644 . 1 1 95 95 GLN CG C 13 31.2 0.3 . 1 . . . A 92 GLN CG . 18318 1 645 . 1 1 95 95 GLN N N 15 115.5 0.3 . 1 . . . A 92 GLN N . 18318 1 646 . 1 1 96 96 VAL H H 1 7.37 0.02 . 1 . . . A 93 VAL H . 18318 1 647 . 1 1 96 96 VAL HA H 1 4.01 0.02 . 1 . . . A 93 VAL HA . 18318 1 648 . 1 1 96 96 VAL HB H 1 2.13 0.02 . 1 . . . A 93 VAL HB . 18318 1 649 . 1 1 96 96 VAL HG11 H 1 1.01 0.02 . 1 . . . A 93 VAL HG11 . 18318 1 650 . 1 1 96 96 VAL HG12 H 1 1.01 0.02 . 1 . . . A 93 VAL HG12 . 18318 1 651 . 1 1 96 96 VAL HG13 H 1 1.01 0.02 . 1 . . . A 93 VAL HG13 . 18318 1 652 . 1 1 96 96 VAL HG21 H 1 0.95 0.02 . 1 . . . A 93 VAL HG21 . 18318 1 653 . 1 1 96 96 VAL HG22 H 1 0.95 0.02 . 1 . . . A 93 VAL HG22 . 18318 1 654 . 1 1 96 96 VAL HG23 H 1 0.95 0.02 . 1 . . . A 93 VAL HG23 . 18318 1 655 . 1 1 96 96 VAL C C 13 175.5 0.3 . 1 . . . A 93 VAL C . 18318 1 656 . 1 1 96 96 VAL CA C 13 63.1 0.3 . 1 . . . A 93 VAL CA . 18318 1 657 . 1 1 96 96 VAL CB C 13 31.4 0.3 . 1 . . . A 93 VAL CB . 18318 1 658 . 1 1 96 96 VAL CG1 C 13 19.1 0.3 . 1 . . . A 93 VAL CG1 . 18318 1 659 . 1 1 96 96 VAL CG2 C 13 18.6 0.3 . 1 . . . A 93 VAL CG2 . 18318 1 660 . 1 1 96 96 VAL N N 15 118.2 0.3 . 1 . . . A 93 VAL N . 18318 1 stop_ save_