data_18328 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18328 _Entry.Title ; Solution structure of CHCHD7 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-03-14 _Entry.Accession_date 2012-03-14 _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 . _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 Julia Winkelmann . . . 18328 2 Simone Ciofi-Baffoni . . . 18328 3 Lucia Banci . . . 18328 4 Ivano Bertini . . . 18328 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' . 18328 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID alpha-hairpin . 18328 'CHCH domain' . 18328 'Mia40-dependent disulfide relay system' . 18328 'mitochondrial import' . 18328 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18328 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 273 18328 '15N chemical shifts' 74 18328 '1H chemical shifts' 433 18328 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 2012-03-14 update BMRB 'update entry citation' 18328 1 . . 2012-09-14 2012-03-14 original author 'original release' 18328 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LQL 'This PDBID is reported in the same manuscript' 18328 PDB 2LQT 'BMRB Entry Tracking System' 18328 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18328 _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 . . . 18328 1 2 Ivano Bertini . . . 18328 1 3 Simone Ciofi-Baffoni . . . 18328 1 4 Deepa Jaiswal . . . 18328 1 5 Sara Neri . . . 18328 1 6 Riccardo Peruzzini . . . 18328 1 7 Julia Winkelmann . . . 18328 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18328 _Assembly.ID 1 _Assembly.Name CHCHD7 _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 CHCHD7 1 $CHCHD7 A . yes native no no . . . 18328 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 CHCHD7 1 CYS 16 16 SG . 1 CHCHD7 1 CYS 47 47 SG 1 CHCHD7 16 CYS SG 1 CHCHD7 47 CYS SG 18328 1 2 disulfide single . 1 CHCHD7 1 CYS 26 26 SG . 1 CHCHD7 1 CYS 37 37 SG 1 CHCHD7 26 CYS SG 1 CHCHD7 37 CYS SG 18328 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CHCHD7 _Entity.Sf_category entity _Entity.Sf_framecode CHCHD7 _Entity.Entry_ID 18328 _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 ; MPSVTQRLRDPDINPCLSES DASTRCLDENNYDRERCSTY FLRYKNCRRFWNSIVMQRRK NGVKPFMPTAAERDEILRAV GNMPY ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; The first 13 residues are removed from the coordinate file as they are disordered. Two disulfide bonds are present between Cys16 and Cys47, and between Cys26 and Cys37 ; _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 85 _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 8598.808 _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 2LQT . "Solution Structure Of Chchd7" . . . . . 98.82 85 100.00 100.00 3.60e-54 . . . . 18328 1 2 no DBJ BAF82777 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 85 100.00 100.00 4.35e-55 . . . . 18328 1 3 no GB AAH02546 . "Coiled-coil-helix-coiled-coil-helix domain containing 7 [Homo sapiens]" . . . . . 100.00 97 100.00 100.00 1.17e-55 . . . . 18328 1 4 no GB AIC52242 . "CHCHD7, partial [synthetic construct]" . . . . . 100.00 85 100.00 100.00 4.35e-55 . . . . 18328 1 5 no GB EAW86776 . "coiled-coil-helix-coiled-coil-helix domain containing 7, isoform CRA_a [Homo sapiens]" . . . . . 100.00 85 100.00 100.00 4.35e-55 . . . . 18328 1 6 no GB EAW86778 . "coiled-coil-helix-coiled-coil-helix domain containing 7, isoform CRA_c [Homo sapiens]" . . . . . 100.00 110 100.00 100.00 4.17e-55 . . . . 18328 1 7 no GB EAW86779 . "coiled-coil-helix-coiled-coil-helix domain containing 7, isoform CRA_d [Homo sapiens]" . . . . . 100.00 97 100.00 100.00 1.17e-55 . . . . 18328 1 8 no REF NP_001011668 . "coiled-coil-helix-coiled-coil-helix domain-containing protein 7 isoform b [Homo sapiens]" . . . . . 100.00 110 100.00 100.00 4.17e-55 . . . . 18328 1 9 no REF NP_001011671 . "coiled-coil-helix-coiled-coil-helix domain-containing protein 7 isoform f [Homo sapiens]" . . . . . 100.00 85 100.00 100.00 4.35e-55 . . . . 18328 1 10 no REF NP_077276 . "coiled-coil-helix-coiled-coil-helix domain-containing protein 7 isoform d [Homo sapiens]" . . . . . 100.00 97 100.00 100.00 1.17e-55 . . . . 18328 1 11 no REF XP_001151645 . "PREDICTED: coiled-coil-helix-coiled-coil-helix domain-containing protein 7 isoform X1 [Pan troglodytes]" . . . . . 100.00 110 100.00 100.00 4.17e-55 . . . . 18328 1 12 no REF XP_002819143 . "PREDICTED: coiled-coil-helix-coiled-coil-helix domain-containing protein 7 isoform X2 [Pongo abelii]" . . . . . 100.00 85 97.65 98.82 1.42e-53 . . . . 18328 1 13 no SP Q9BUK0 . "RecName: Full=Coiled-coil-helix-coiled-coil-helix domain-containing protein 7" . . . . . 100.00 85 100.00 100.00 4.35e-55 . . . . 18328 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 18328 1 2 . PRO . 18328 1 3 . SER . 18328 1 4 . VAL . 18328 1 5 . THR . 18328 1 6 . GLN . 18328 1 7 . ARG . 18328 1 8 . LEU . 18328 1 9 . ARG . 18328 1 10 . ASP . 18328 1 11 . PRO . 18328 1 12 . ASP . 18328 1 13 . ILE . 18328 1 14 . ASN . 18328 1 15 . PRO . 18328 1 16 . CYS . 18328 1 17 . LEU . 18328 1 18 . SER . 18328 1 19 . GLU . 18328 1 20 . SER . 18328 1 21 . ASP . 18328 1 22 . ALA . 18328 1 23 . SER . 18328 1 24 . THR . 18328 1 25 . ARG . 18328 1 26 . CYS . 18328 1 27 . LEU . 18328 1 28 . ASP . 18328 1 29 . GLU . 18328 1 30 . ASN . 18328 1 31 . ASN . 18328 1 32 . TYR . 18328 1 33 . ASP . 18328 1 34 . ARG . 18328 1 35 . GLU . 18328 1 36 . ARG . 18328 1 37 . CYS . 18328 1 38 . SER . 18328 1 39 . THR . 18328 1 40 . TYR . 18328 1 41 . PHE . 18328 1 42 . LEU . 18328 1 43 . ARG . 18328 1 44 . TYR . 18328 1 45 . LYS . 18328 1 46 . ASN . 18328 1 47 . CYS . 18328 1 48 . ARG . 18328 1 49 . ARG . 18328 1 50 . PHE . 18328 1 51 . TRP . 18328 1 52 . ASN . 18328 1 53 . SER . 18328 1 54 . ILE . 18328 1 55 . VAL . 18328 1 56 . MET . 18328 1 57 . GLN . 18328 1 58 . ARG . 18328 1 59 . ARG . 18328 1 60 . LYS . 18328 1 61 . ASN . 18328 1 62 . GLY . 18328 1 63 . VAL . 18328 1 64 . LYS . 18328 1 65 . PRO . 18328 1 66 . PHE . 18328 1 67 . MET . 18328 1 68 . PRO . 18328 1 69 . THR . 18328 1 70 . ALA . 18328 1 71 . ALA . 18328 1 72 . GLU . 18328 1 73 . ARG . 18328 1 74 . ASP . 18328 1 75 . GLU . 18328 1 76 . ILE . 18328 1 77 . LEU . 18328 1 78 . ARG . 18328 1 79 . ALA . 18328 1 80 . VAL . 18328 1 81 . GLY . 18328 1 82 . ASN . 18328 1 83 . MET . 18328 1 84 . PRO . 18328 1 85 . TYR . 18328 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 18328 1 . PRO 2 2 18328 1 . SER 3 3 18328 1 . VAL 4 4 18328 1 . THR 5 5 18328 1 . GLN 6 6 18328 1 . ARG 7 7 18328 1 . LEU 8 8 18328 1 . ARG 9 9 18328 1 . ASP 10 10 18328 1 . PRO 11 11 18328 1 . ASP 12 12 18328 1 . ILE 13 13 18328 1 . ASN 14 14 18328 1 . PRO 15 15 18328 1 . CYS 16 16 18328 1 . LEU 17 17 18328 1 . SER 18 18 18328 1 . GLU 19 19 18328 1 . SER 20 20 18328 1 . ASP 21 21 18328 1 . ALA 22 22 18328 1 . SER 23 23 18328 1 . THR 24 24 18328 1 . ARG 25 25 18328 1 . CYS 26 26 18328 1 . LEU 27 27 18328 1 . ASP 28 28 18328 1 . GLU 29 29 18328 1 . ASN 30 30 18328 1 . ASN 31 31 18328 1 . TYR 32 32 18328 1 . ASP 33 33 18328 1 . ARG 34 34 18328 1 . GLU 35 35 18328 1 . ARG 36 36 18328 1 . CYS 37 37 18328 1 . SER 38 38 18328 1 . THR 39 39 18328 1 . TYR 40 40 18328 1 . PHE 41 41 18328 1 . LEU 42 42 18328 1 . ARG 43 43 18328 1 . TYR 44 44 18328 1 . LYS 45 45 18328 1 . ASN 46 46 18328 1 . CYS 47 47 18328 1 . ARG 48 48 18328 1 . ARG 49 49 18328 1 . PHE 50 50 18328 1 . TRP 51 51 18328 1 . ASN 52 52 18328 1 . SER 53 53 18328 1 . ILE 54 54 18328 1 . VAL 55 55 18328 1 . MET 56 56 18328 1 . GLN 57 57 18328 1 . ARG 58 58 18328 1 . ARG 59 59 18328 1 . LYS 60 60 18328 1 . ASN 61 61 18328 1 . GLY 62 62 18328 1 . VAL 63 63 18328 1 . LYS 64 64 18328 1 . PRO 65 65 18328 1 . PHE 66 66 18328 1 . MET 67 67 18328 1 . PRO 68 68 18328 1 . THR 69 69 18328 1 . ALA 70 70 18328 1 . ALA 71 71 18328 1 . GLU 72 72 18328 1 . ARG 73 73 18328 1 . ASP 74 74 18328 1 . GLU 75 75 18328 1 . ILE 76 76 18328 1 . LEU 77 77 18328 1 . ARG 78 78 18328 1 . ALA 79 79 18328 1 . VAL 80 80 18328 1 . GLY 81 81 18328 1 . ASN 82 82 18328 1 . MET 83 83 18328 1 . PRO 84 84 18328 1 . TYR 85 85 18328 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 18328 _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 $CHCHD7 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . CHCHD7 . . . . 18328 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 18328 _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 $CHCHD7 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21-Origami(DE3) . . . . . . . . . . . . . . . pET16b . . . . . . 18328 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18328 _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 CHCHD7 '[U-100% 15N]' . . 1 $CHCHD7 . . . 0.5 1 mM . . . . 18328 1 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18328 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18328 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18328 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18328 _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 CHCHD7 '[U-100% 13C; U-100% 15N]' . . 1 $CHCHD7 . . . 0.5 1 mM . . . . 18328 2 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18328 2 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18328 2 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18328 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 18328 _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 18328 1 pH 7.0 . pH 18328 1 pressure 1 . atm 18328 1 temperature 298 . K 18328 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18328 _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' . . 18328 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18328 1 processing 18328 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 18328 _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' . . 18328 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18328 2 stop_ save_ save_PECAN _Software.Sf_category software _Software.Sf_framecode PECAN _Software.Entry_ID 18328 _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' . . 18328 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18328 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 18328 _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' . . 18328 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18328 4 stop_ save_ save_ATNOS _Software.Sf_category software _Software.Sf_framecode ATNOS _Software.Entry_ID 18328 _Software.ID 5 _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' . . 18328 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 18328 5 stop_ save_ save_CANDID _Software.Sf_category software _Software.Sf_framecode CANDID _Software.Entry_ID 18328 _Software.ID 6 _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' . . 18328 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'NOEs assignment' 18328 6 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18328 _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' . . 18328 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18328 7 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 18328 _Software.ID 8 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 18328 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18328 8 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 18328 _Software.ID 9 _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' . . 18328 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18328 9 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 18328 _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' . . 18328 10 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Structure validation' 18328 10 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 18328 _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' . . 18328 11 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Structure validation' 18328 11 stop_ save_ save_WhatIF _Software.Sf_category software _Software.Sf_framecode WhatIF _Software.Entry_ID 18328 _Software.ID 12 _Software.Name WhatIF _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Vriend . . 18328 12 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Structure validation' 18328 12 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 18328 _Software.ID 13 _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' . . 18328 13 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18328 13 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 18328 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18328 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 18328 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 18328 _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 . 900 . . . 18328 1 2 spectrometer_2 Bruker Avance . 500 . . . 18328 1 3 spectrometer_3 Bruker Avance . 700 . . . 18328 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 18328 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18328 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18328 1 3 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18328 1 4 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18328 1 5 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18328 1 6 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18328 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18328 1 8 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18328 1 9 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18328 1 10 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18328 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18328 1 12 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18328 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 18328 _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 carbons' . . . . ppm 69.3 external direct 1.0 . . . . . . . . . 18328 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18328 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18328 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 18328 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18328 1 10 '2D 1H-1H NOESY' . . . 18328 1 12 '3D 1H-13C NOESY aliphatic' . . . 18328 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 ASN H H 1 7.84 0.02 . 1 . . . A 14 ASN H . 18328 1 2 . 1 1 14 14 ASN HA H 1 4.11 0.02 . 1 . . . A 14 ASN HA . 18328 1 3 . 1 1 14 14 ASN HB2 H 1 2.47 0.02 . 2 . . . A 14 ASN HB2 . 18328 1 4 . 1 1 14 14 ASN HB3 H 1 2.42 0.02 . 2 . . . A 14 ASN HB3 . 18328 1 5 . 1 1 14 14 ASN HD21 H 1 7.43 0.02 . 1 . . . A 14 ASN HD21 . 18328 1 6 . 1 1 14 14 ASN HD22 H 1 6.70 0.02 . 1 . . . A 14 ASN HD22 . 18328 1 7 . 1 1 14 14 ASN C C 13 176.0 0.3 . 1 . . . A 14 ASN C . 18328 1 8 . 1 1 14 14 ASN CA C 13 49.2 0.3 . 1 . . . A 14 ASN CA . 18328 1 9 . 1 1 14 14 ASN CB C 13 39.0 0.3 . 1 . . . A 14 ASN CB . 18328 1 10 . 1 1 14 14 ASN N N 15 119.7 0.3 . 1 . . . A 14 ASN N . 18328 1 11 . 1 1 14 14 ASN ND2 N 15 111.9 0.3 . 1 . . . A 14 ASN ND2 . 18328 1 12 . 1 1 15 15 PRO HA H 1 4.25 0.02 . 1 . . . A 15 PRO HA . 18328 1 13 . 1 1 15 15 PRO HB2 H 1 1.94 0.02 . 1 . . . A 15 PRO HB2 . 18328 1 14 . 1 1 15 15 PRO HG2 H 1 1.89 0.02 . 1 . . . A 15 PRO HG2 . 18328 1 15 . 1 1 15 15 PRO HD2 H 1 3.63 0.02 . 2 . . . A 15 PRO HD2 . 18328 1 16 . 1 1 15 15 PRO HD3 H 1 3.56 0.02 . 2 . . . A 15 PRO HD3 . 18328 1 17 . 1 1 15 15 PRO CA C 13 63.1 0.3 . 1 . . . A 15 PRO CA . 18328 1 18 . 1 1 15 15 PRO CB C 13 32.1 0.3 . 1 . . . A 15 PRO CB . 18328 1 19 . 1 1 15 15 PRO CG C 13 27.1 0.3 . 1 . . . A 15 PRO CG . 18328 1 20 . 1 1 15 15 PRO CD C 13 50.2 0.3 . 1 . . . A 15 PRO CD . 18328 1 21 . 1 1 16 16 CYS H H 1 7.98 0.02 . 1 . . . A 16 CYS H . 18328 1 22 . 1 1 16 16 CYS HA H 1 5.51 0.02 . 1 . . . A 16 CYS HA . 18328 1 23 . 1 1 16 16 CYS HB2 H 1 3.50 0.02 . 1 . . . A 16 CYS HB2 . 18328 1 24 . 1 1 16 16 CYS C C 13 175.4 0.3 . 1 . . . A 16 CYS C . 18328 1 25 . 1 1 16 16 CYS CA C 13 53.7 0.3 . 1 . . . A 16 CYS CA . 18328 1 26 . 1 1 16 16 CYS CB C 13 43.4 0.3 . 1 . . . A 16 CYS CB . 18328 1 27 . 1 1 16 16 CYS N N 15 118.7 0.3 . 1 . . . A 16 CYS N . 18328 1 28 . 1 1 17 17 LEU H H 1 7.42 0.02 . 1 . . . A 17 LEU H . 18328 1 29 . 1 1 17 17 LEU HA H 1 3.97 0.02 . 1 . . . A 17 LEU HA . 18328 1 30 . 1 1 17 17 LEU HB2 H 1 1.60 0.02 . 2 . . . A 17 LEU HB2 . 18328 1 31 . 1 1 17 17 LEU HB3 H 1 1.44 0.02 . 2 . . . A 17 LEU HB3 . 18328 1 32 . 1 1 17 17 LEU HG H 1 1.53 0.02 . 1 . . . A 17 LEU HG . 18328 1 33 . 1 1 17 17 LEU HD11 H 1 0.75 0.02 . 1 . . . A 17 LEU HD11 . 18328 1 34 . 1 1 17 17 LEU HD12 H 1 0.75 0.02 . 1 . . . A 17 LEU HD12 . 18328 1 35 . 1 1 17 17 LEU HD13 H 1 0.75 0.02 . 1 . . . A 17 LEU HD13 . 18328 1 36 . 1 1 17 17 LEU HD21 H 1 0.73 0.02 . 1 . . . A 17 LEU HD21 . 18328 1 37 . 1 1 17 17 LEU HD22 H 1 0.73 0.02 . 1 . . . A 17 LEU HD22 . 18328 1 38 . 1 1 17 17 LEU HD23 H 1 0.73 0.02 . 1 . . . A 17 LEU HD23 . 18328 1 39 . 1 1 17 17 LEU C C 13 178.7 0.3 . 1 . . . A 17 LEU C . 18328 1 40 . 1 1 17 17 LEU CA C 13 58.0 0.3 . 1 . . . A 17 LEU CA . 18328 1 41 . 1 1 17 17 LEU CB C 13 41.9 0.3 . 1 . . . A 17 LEU CB . 18328 1 42 . 1 1 17 17 LEU CG C 13 26.3 0.3 . 1 . . . A 17 LEU CG . 18328 1 43 . 1 1 17 17 LEU CD1 C 13 24.0 0.3 . 1 . . . A 17 LEU CD1 . 18328 1 44 . 1 1 17 17 LEU CD2 C 13 24.5 0.3 . 1 . . . A 17 LEU CD2 . 18328 1 45 . 1 1 17 17 LEU N N 15 122.4 0.3 . 1 . . . A 17 LEU N . 18328 1 46 . 1 1 18 18 SER H H 1 8.81 0.02 . 1 . . . A 18 SER H . 18328 1 47 . 1 1 18 18 SER HA H 1 4.12 0.02 . 1 . . . A 18 SER HA . 18328 1 48 . 1 1 18 18 SER HB2 H 1 3.81 0.02 . 2 . . . A 18 SER HB2 . 18328 1 49 . 1 1 18 18 SER HB3 H 1 3.78 0.02 . 2 . . . A 18 SER HB3 . 18328 1 50 . 1 1 18 18 SER C C 13 177.7 0.3 . 1 . . . A 18 SER C . 18328 1 51 . 1 1 18 18 SER CA C 13 62.0 0.3 . 1 . . . A 18 SER CA . 18328 1 52 . 1 1 18 18 SER CB C 13 62.0 0.3 . 1 . . . A 18 SER CB . 18328 1 53 . 1 1 18 18 SER N N 15 114.7 0.3 . 1 . . . A 18 SER N . 18328 1 54 . 1 1 19 19 GLU H H 1 9.69 0.02 . 1 . . . A 19 GLU H . 18328 1 55 . 1 1 19 19 GLU HA H 1 3.99 0.02 . 1 . . . A 19 GLU HA . 18328 1 56 . 1 1 19 19 GLU HB2 H 1 1.82 0.02 . 1 . . . A 19 GLU HB2 . 18328 1 57 . 1 1 19 19 GLU HG2 H 1 2.34 0.02 . 1 . . . A 19 GLU HG2 . 18328 1 58 . 1 1 19 19 GLU C C 13 180.3 0.3 . 1 . . . A 19 GLU C . 18328 1 59 . 1 1 19 19 GLU CA C 13 60.8 0.3 . 1 . . . A 19 GLU CA . 18328 1 60 . 1 1 19 19 GLU CB C 13 28.1 0.3 . 1 . . . A 19 GLU CB . 18328 1 61 . 1 1 19 19 GLU CG C 13 38.2 0.3 . 1 . . . A 19 GLU CG . 18328 1 62 . 1 1 19 19 GLU N N 15 123.5 0.3 . 1 . . . A 19 GLU N . 18328 1 63 . 1 1 20 20 SER H H 1 8.59 0.02 . 1 . . . A 20 SER H . 18328 1 64 . 1 1 20 20 SER HA H 1 3.67 0.02 . 1 . . . A 20 SER HA . 18328 1 65 . 1 1 20 20 SER HB2 H 1 3.66 0.02 . 1 . . . A 20 SER HB2 . 18328 1 66 . 1 1 20 20 SER C C 13 177.6 0.3 . 1 . . . A 20 SER C . 18328 1 67 . 1 1 20 20 SER CA C 13 60.9 0.3 . 1 . . . A 20 SER CA . 18328 1 68 . 1 1 20 20 SER CB C 13 61.9 0.3 . 1 . . . A 20 SER CB . 18328 1 69 . 1 1 20 20 SER N N 15 118.1 0.3 . 1 . . . A 20 SER N . 18328 1 70 . 1 1 21 21 ASP H H 1 8.63 0.02 . 1 . . . A 21 ASP H . 18328 1 71 . 1 1 21 21 ASP HA H 1 4.18 0.02 . 1 . . . A 21 ASP HA . 18328 1 72 . 1 1 21 21 ASP HB2 H 1 2.72 0.02 . 2 . . . A 21 ASP HB2 . 18328 1 73 . 1 1 21 21 ASP HB3 H 1 2.47 0.02 . 2 . . . A 21 ASP HB3 . 18328 1 74 . 1 1 21 21 ASP C C 13 178.6 0.3 . 1 . . . A 21 ASP C . 18328 1 75 . 1 1 21 21 ASP CA C 13 56.8 0.3 . 1 . . . A 21 ASP CA . 18328 1 76 . 1 1 21 21 ASP CB C 13 39.5 0.3 . 1 . . . A 21 ASP CB . 18328 1 77 . 1 1 21 21 ASP N N 15 122.7 0.3 . 1 . . . A 21 ASP N . 18328 1 78 . 1 1 22 22 ALA H H 1 8.06 0.02 . 1 . . . A 22 ALA H . 18328 1 79 . 1 1 22 22 ALA HA H 1 3.85 0.02 . 1 . . . A 22 ALA HA . 18328 1 80 . 1 1 22 22 ALA HB1 H 1 1.42 0.02 . 1 . . . A 22 ALA HB1 . 18328 1 81 . 1 1 22 22 ALA HB2 H 1 1.42 0.02 . 1 . . . A 22 ALA HB2 . 18328 1 82 . 1 1 22 22 ALA HB3 H 1 1.42 0.02 . 1 . . . A 22 ALA HB3 . 18328 1 83 . 1 1 22 22 ALA C C 13 180.1 0.3 . 1 . . . A 22 ALA C . 18328 1 84 . 1 1 22 22 ALA CA C 13 54.5 0.3 . 1 . . . A 22 ALA CA . 18328 1 85 . 1 1 22 22 ALA CB C 13 18.0 0.3 . 1 . . . A 22 ALA CB . 18328 1 86 . 1 1 22 22 ALA N N 15 121.1 0.3 . 1 . . . A 22 ALA N . 18328 1 87 . 1 1 23 23 SER H H 1 7.44 0.02 . 1 . . . A 23 SER H . 18328 1 88 . 1 1 23 23 SER HA H 1 3.62 0.02 . 1 . . . A 23 SER HA . 18328 1 89 . 1 1 23 23 SER HB2 H 1 3.37 0.02 . 1 . . . A 23 SER HB2 . 18328 1 90 . 1 1 23 23 SER CA C 13 62.0 0.3 . 1 . . . A 23 SER CA . 18328 1 91 . 1 1 23 23 SER CB C 13 61.8 0.3 . 1 . . . A 23 SER CB . 18328 1 92 . 1 1 23 23 SER N N 15 115.0 0.3 . 1 . . . A 23 SER N . 18328 1 93 . 1 1 24 24 THR HA H 1 3.63 0.02 . 1 . . . A 24 THR HA . 18328 1 94 . 1 1 24 24 THR HB H 1 3.93 0.02 . 1 . . . A 24 THR HB . 18328 1 95 . 1 1 24 24 THR HG21 H 1 0.93 0.02 . 1 . . . A 24 THR HG21 . 18328 1 96 . 1 1 24 24 THR HG22 H 1 0.93 0.02 . 1 . . . A 24 THR HG22 . 18328 1 97 . 1 1 24 24 THR HG23 H 1 0.93 0.02 . 1 . . . A 24 THR HG23 . 18328 1 98 . 1 1 24 24 THR CA C 13 66.3 0.3 . 1 . . . A 24 THR CA . 18328 1 99 . 1 1 24 24 THR CB C 13 67.9 0.3 . 1 . . . A 24 THR CB . 18328 1 100 . 1 1 24 24 THR CG2 C 13 22.5 0.3 . 1 . . . A 24 THR CG2 . 18328 1 101 . 1 1 25 25 ARG H H 1 8.08 0.02 . 1 . . . A 25 ARG H . 18328 1 102 . 1 1 25 25 ARG HA H 1 3.99 0.02 . 1 . . . A 25 ARG HA . 18328 1 103 . 1 1 25 25 ARG HB2 H 1 1.62 0.02 . 2 . . . A 25 ARG HB2 . 18328 1 104 . 1 1 25 25 ARG HB3 H 1 1.55 0.02 . 2 . . . A 25 ARG HB3 . 18328 1 105 . 1 1 25 25 ARG HG2 H 1 1.31 0.02 . 1 . . . A 25 ARG HG2 . 18328 1 106 . 1 1 25 25 ARG HD2 H 1 3.03 0.02 . 1 . . . A 25 ARG HD2 . 18328 1 107 . 1 1 25 25 ARG C C 13 177.6 0.3 . 1 . . . A 25 ARG C . 18328 1 108 . 1 1 25 25 ARG CA C 13 58.9 0.3 . 1 . . . A 25 ARG CA . 18328 1 109 . 1 1 25 25 ARG CB C 13 29.0 0.3 . 1 . . . A 25 ARG CB . 18328 1 110 . 1 1 25 25 ARG CG C 13 27.2 0.3 . 1 . . . A 25 ARG CG . 18328 1 111 . 1 1 25 25 ARG CD C 13 43.2 0.3 . 1 . . . A 25 ARG CD . 18328 1 112 . 1 1 25 25 ARG N N 15 121.2 0.3 . 1 . . . A 25 ARG N . 18328 1 113 . 1 1 26 26 CYS H H 1 7.39 0.02 . 1 . . . A 26 CYS H . 18328 1 114 . 1 1 26 26 CYS HA H 1 3.89 0.02 . 1 . . . A 26 CYS HA . 18328 1 115 . 1 1 26 26 CYS HB2 H 1 2.92 0.02 . 1 . . . A 26 CYS HB2 . 18328 1 116 . 1 1 26 26 CYS C C 13 177.7 0.3 . 1 . . . A 26 CYS C . 18328 1 117 . 1 1 26 26 CYS CA C 13 60.4 0.3 . 1 . . . A 26 CYS CA . 18328 1 118 . 1 1 26 26 CYS CB C 13 38.7 0.3 . 1 . . . A 26 CYS CB . 18328 1 119 . 1 1 26 26 CYS N N 15 116.7 0.3 . 1 . . . A 26 CYS N . 18328 1 120 . 1 1 27 27 LEU H H 1 7.63 0.02 . 1 . . . A 27 LEU H . 18328 1 121 . 1 1 27 27 LEU HA H 1 3.47 0.02 . 1 . . . A 27 LEU HA . 18328 1 122 . 1 1 27 27 LEU HB2 H 1 1.09 0.02 . 1 . . . A 27 LEU HB2 . 18328 1 123 . 1 1 27 27 LEU HG H 1 0.97 0.02 . 1 . . . A 27 LEU HG . 18328 1 124 . 1 1 27 27 LEU HD11 H 1 0.55 0.02 . 1 . . . A 27 LEU HD11 . 18328 1 125 . 1 1 27 27 LEU HD12 H 1 0.55 0.02 . 1 . . . A 27 LEU HD12 . 18328 1 126 . 1 1 27 27 LEU HD13 H 1 0.55 0.02 . 1 . . . A 27 LEU HD13 . 18328 1 127 . 1 1 27 27 LEU HD21 H 1 0.53 0.02 . 1 . . . A 27 LEU HD21 . 18328 1 128 . 1 1 27 27 LEU HD22 H 1 0.53 0.02 . 1 . . . A 27 LEU HD22 . 18328 1 129 . 1 1 27 27 LEU HD23 H 1 0.53 0.02 . 1 . . . A 27 LEU HD23 . 18328 1 130 . 1 1 27 27 LEU C C 13 178.5 0.3 . 1 . . . A 27 LEU C . 18328 1 131 . 1 1 27 27 LEU CA C 13 57.8 0.3 . 1 . . . A 27 LEU CA . 18328 1 132 . 1 1 27 27 LEU CB C 13 41.2 0.3 . 1 . . . A 27 LEU CB . 18328 1 133 . 1 1 27 27 LEU CG C 13 26.0 0.3 . 1 . . . A 27 LEU CG . 18328 1 134 . 1 1 27 27 LEU CD1 C 13 22.1 0.3 . 1 . . . A 27 LEU CD1 . 18328 1 135 . 1 1 27 27 LEU CD2 C 13 22.0 0.3 . 1 . . . A 27 LEU CD2 . 18328 1 136 . 1 1 27 27 LEU N N 15 121.8 0.3 . 1 . . . A 27 LEU N . 18328 1 137 . 1 1 28 28 ASP H H 1 7.99 0.02 . 1 . . . A 28 ASP H . 18328 1 138 . 1 1 28 28 ASP HA H 1 4.06 0.02 . 1 . . . A 28 ASP HA . 18328 1 139 . 1 1 28 28 ASP HB2 H 1 2.81 0.02 . 2 . . . A 28 ASP HB2 . 18328 1 140 . 1 1 28 28 ASP HB3 H 1 2.59 0.02 . 2 . . . A 28 ASP HB3 . 18328 1 141 . 1 1 28 28 ASP C C 13 178.8 0.3 . 1 . . . A 28 ASP C . 18328 1 142 . 1 1 28 28 ASP CA C 13 56.7 0.3 . 1 . . . A 28 ASP CA . 18328 1 143 . 1 1 28 28 ASP CB C 13 40.7 0.3 . 1 . . . A 28 ASP CB . 18328 1 144 . 1 1 28 28 ASP N N 15 118.8 0.3 . 1 . . . A 28 ASP N . 18328 1 145 . 1 1 29 29 GLU H H 1 7.77 0.02 . 1 . . . A 29 GLU H . 18328 1 146 . 1 1 29 29 GLU HA H 1 4.10 0.02 . 1 . . . A 29 GLU HA . 18328 1 147 . 1 1 29 29 GLU HB2 H 1 1.96 0.02 . 2 . . . A 29 GLU HB2 . 18328 1 148 . 1 1 29 29 GLU HB3 H 1 1.82 0.02 . 2 . . . A 29 GLU HB3 . 18328 1 149 . 1 1 29 29 GLU HG2 H 1 2.36 0.02 . 2 . . . A 29 GLU HG2 . 18328 1 150 . 1 1 29 29 GLU HG3 H 1 2.11 0.02 . 2 . . . A 29 GLU HG3 . 18328 1 151 . 1 1 29 29 GLU C C 13 176.8 0.3 . 1 . . . A 29 GLU C . 18328 1 152 . 1 1 29 29 GLU CA C 13 56.8 0.3 . 1 . . . A 29 GLU CA . 18328 1 153 . 1 1 29 29 GLU CB C 13 30.6 0.3 . 1 . . . A 29 GLU CB . 18328 1 154 . 1 1 29 29 GLU CG C 13 36.3 0.3 . 1 . . . A 29 GLU CG . 18328 1 155 . 1 1 29 29 GLU N N 15 116.6 0.3 . 1 . . . A 29 GLU N . 18328 1 156 . 1 1 30 30 ASN H H 1 7.47 0.02 . 1 . . . A 30 ASN H . 18328 1 157 . 1 1 30 30 ASN HA H 1 4.92 0.02 . 1 . . . A 30 ASN HA . 18328 1 158 . 1 1 30 30 ASN HB2 H 1 2.72 0.02 . 2 . . . A 30 ASN HB2 . 18328 1 159 . 1 1 30 30 ASN HB3 H 1 2.43 0.02 . 2 . . . A 30 ASN HB3 . 18328 1 160 . 1 1 30 30 ASN HD21 H 1 7.84 0.02 . 1 . . . A 30 ASN HD21 . 18328 1 161 . 1 1 30 30 ASN HD22 H 1 7.27 0.02 . 1 . . . A 30 ASN HD22 . 18328 1 162 . 1 1 30 30 ASN C C 13 174.6 0.3 . 1 . . . A 30 ASN C . 18328 1 163 . 1 1 30 30 ASN CA C 13 52.9 0.3 . 1 . . . A 30 ASN CA . 18328 1 164 . 1 1 30 30 ASN CB C 13 38.9 0.3 . 1 . . . A 30 ASN CB . 18328 1 165 . 1 1 30 30 ASN N N 15 117.4 0.3 . 1 . . . A 30 ASN N . 18328 1 166 . 1 1 30 30 ASN ND2 N 15 120.0 0.3 . 1 . . . A 30 ASN ND2 . 18328 1 167 . 1 1 31 31 ASN H H 1 8.44 0.02 . 1 . . . A 31 ASN H . 18328 1 168 . 1 1 31 31 ASN HA H 1 4.14 0.02 . 1 . . . A 31 ASN HA . 18328 1 169 . 1 1 31 31 ASN HB2 H 1 2.99 0.02 . 2 . . . A 31 ASN HB2 . 18328 1 170 . 1 1 31 31 ASN HB3 H 1 2.51 0.02 . 2 . . . A 31 ASN HB3 . 18328 1 171 . 1 1 31 31 ASN HD21 H 1 7.55 0.02 . 1 . . . A 31 ASN HD21 . 18328 1 172 . 1 1 31 31 ASN HD22 H 1 6.79 0.02 . 1 . . . A 31 ASN HD22 . 18328 1 173 . 1 1 31 31 ASN C C 13 174.4 0.3 . 1 . . . A 31 ASN C . 18328 1 174 . 1 1 31 31 ASN CA C 13 54.6 0.3 . 1 . . . A 31 ASN CA . 18328 1 175 . 1 1 31 31 ASN CB C 13 37.1 0.3 . 1 . . . A 31 ASN CB . 18328 1 176 . 1 1 31 31 ASN N N 15 117.1 0.3 . 1 . . . A 31 ASN N . 18328 1 177 . 1 1 31 31 ASN ND2 N 15 112.3 0.3 . 1 . . . A 31 ASN ND2 . 18328 1 178 . 1 1 32 32 TYR H H 1 8.64 0.02 . 1 . . . A 32 TYR H . 18328 1 179 . 1 1 32 32 TYR HA H 1 3.40 0.02 . 1 . . . A 32 TYR HA . 18328 1 180 . 1 1 32 32 TYR HB2 H 1 3.20 0.02 . 2 . . . A 32 TYR HB2 . 18328 1 181 . 1 1 32 32 TYR HB3 H 1 2.97 0.02 . 2 . . . A 32 TYR HB3 . 18328 1 182 . 1 1 32 32 TYR C C 13 174.1 0.3 . 1 . . . A 32 TYR C . 18328 1 183 . 1 1 32 32 TYR CA C 13 59.2 0.3 . 1 . . . A 32 TYR CA . 18328 1 184 . 1 1 32 32 TYR CB C 13 35.0 0.3 . 1 . . . A 32 TYR CB . 18328 1 185 . 1 1 32 32 TYR N N 15 110.3 0.3 . 1 . . . A 32 TYR N . 18328 1 186 . 1 1 33 33 ASP H H 1 7.19 0.02 . 1 . . . A 33 ASP H . 18328 1 187 . 1 1 33 33 ASP HA H 1 4.56 0.02 . 1 . . . A 33 ASP HA . 18328 1 188 . 1 1 33 33 ASP HB2 H 1 2.87 0.02 . 2 . . . A 33 ASP HB2 . 18328 1 189 . 1 1 33 33 ASP HB3 H 1 2.56 0.02 . 2 . . . A 33 ASP HB3 . 18328 1 190 . 1 1 33 33 ASP C C 13 175.8 0.3 . 1 . . . A 33 ASP C . 18328 1 191 . 1 1 33 33 ASP CA C 13 53.2 0.3 . 1 . . . A 33 ASP CA . 18328 1 192 . 1 1 33 33 ASP CB C 13 40.8 0.3 . 1 . . . A 33 ASP CB . 18328 1 193 . 1 1 33 33 ASP N N 15 118.8 0.3 . 1 . . . A 33 ASP N . 18328 1 194 . 1 1 34 34 ARG H H 1 8.36 0.02 . 1 . . . A 34 ARG H . 18328 1 195 . 1 1 34 34 ARG HA H 1 3.58 0.02 . 1 . . . A 34 ARG HA . 18328 1 196 . 1 1 34 34 ARG HB2 H 1 1.54 0.02 . 2 . . . A 34 ARG HB2 . 18328 1 197 . 1 1 34 34 ARG HB3 H 1 1.47 0.02 . 2 . . . A 34 ARG HB3 . 18328 1 198 . 1 1 34 34 ARG HG2 H 1 1.48 0.02 . 2 . . . A 34 ARG HG2 . 18328 1 199 . 1 1 34 34 ARG HG3 H 1 1.31 0.02 . 2 . . . A 34 ARG HG3 . 18328 1 200 . 1 1 34 34 ARG HD2 H 1 3.13 0.02 . 2 . . . A 34 ARG HD2 . 18328 1 201 . 1 1 34 34 ARG HD3 H 1 3.10 0.02 . 2 . . . A 34 ARG HD3 . 18328 1 202 . 1 1 34 34 ARG C C 13 178.5 0.3 . 1 . . . A 34 ARG C . 18328 1 203 . 1 1 34 34 ARG CA C 13 58.9 0.3 . 1 . . . A 34 ARG CA . 18328 1 204 . 1 1 34 34 ARG CB C 13 29.5 0.3 . 1 . . . A 34 ARG CB . 18328 1 205 . 1 1 34 34 ARG CG C 13 27.6 0.3 . 1 . . . A 34 ARG CG . 18328 1 206 . 1 1 34 34 ARG CD C 13 43.1 0.3 . 1 . . . A 34 ARG CD . 18328 1 207 . 1 1 34 34 ARG N N 15 124.7 0.3 . 1 . . . A 34 ARG N . 18328 1 208 . 1 1 35 35 GLU H H 1 8.26 0.02 . 1 . . . A 35 GLU H . 18328 1 209 . 1 1 35 35 GLU HA H 1 4.05 0.02 . 1 . . . A 35 GLU HA . 18328 1 210 . 1 1 35 35 GLU HB2 H 1 2.06 0.02 . 2 . . . A 35 GLU HB2 . 18328 1 211 . 1 1 35 35 GLU HB3 H 1 2.08 0.02 . 2 . . . A 35 GLU HB3 . 18328 1 212 . 1 1 35 35 GLU HG2 H 1 2.27 0.02 . 2 . . . A 35 GLU HG2 . 18328 1 213 . 1 1 35 35 GLU HG3 H 1 2.20 0.02 . 2 . . . A 35 GLU HG3 . 18328 1 214 . 1 1 35 35 GLU C C 13 179.7 0.3 . 1 . . . A 35 GLU C . 18328 1 215 . 1 1 35 35 GLU CA C 13 58.2 0.3 . 1 . . . A 35 GLU CA . 18328 1 216 . 1 1 35 35 GLU CB C 13 28.3 0.3 . 1 . . . A 35 GLU CB . 18328 1 217 . 1 1 35 35 GLU CG C 13 36.2 0.3 . 1 . . . A 35 GLU CG . 18328 1 218 . 1 1 35 35 GLU N N 15 118.4 0.3 . 1 . . . A 35 GLU N . 18328 1 219 . 1 1 36 36 ARG H H 1 7.73 0.02 . 1 . . . A 36 ARG H . 18328 1 220 . 1 1 36 36 ARG HA H 1 4.19 0.02 . 1 . . . A 36 ARG HA . 18328 1 221 . 1 1 36 36 ARG HB2 H 1 1.84 0.02 . 1 . . . A 36 ARG HB2 . 18328 1 222 . 1 1 36 36 ARG HG2 H 1 1.65 0.02 . 2 . . . A 36 ARG HG2 . 18328 1 223 . 1 1 36 36 ARG HG3 H 1 1.56 0.02 . 2 . . . A 36 ARG HG3 . 18328 1 224 . 1 1 36 36 ARG HD2 H 1 3.15 0.02 . 2 . . . A 36 ARG HD2 . 18328 1 225 . 1 1 36 36 ARG HD3 H 1 3.16 0.02 . 2 . . . A 36 ARG HD3 . 18328 1 226 . 1 1 36 36 ARG C C 13 177.8 0.3 . 1 . . . A 36 ARG C . 18328 1 227 . 1 1 36 36 ARG CA C 13 56.9 0.3 . 1 . . . A 36 ARG CA . 18328 1 228 . 1 1 36 36 ARG CB C 13 29.4 0.3 . 1 . . . A 36 ARG CB . 18328 1 229 . 1 1 36 36 ARG CG C 13 27.0 0.3 . 1 . . . A 36 ARG CG . 18328 1 230 . 1 1 36 36 ARG CD C 13 42.7 0.3 . 1 . . . A 36 ARG CD . 18328 1 231 . 1 1 36 36 ARG N N 15 119.0 0.3 . 1 . . . A 36 ARG N . 18328 1 232 . 1 1 37 37 CYS H H 1 7.30 0.02 . 1 . . . A 37 CYS H . 18328 1 233 . 1 1 37 37 CYS HA H 1 5.14 0.02 . 1 . . . A 37 CYS HA . 18328 1 234 . 1 1 37 37 CYS HB2 H 1 3.28 0.02 . 2 . . . A 37 CYS HB2 . 18328 1 235 . 1 1 37 37 CYS HB3 H 1 2.48 0.02 . 2 . . . A 37 CYS HB3 . 18328 1 236 . 1 1 37 37 CYS C C 13 176.0 0.3 . 1 . . . A 37 CYS C . 18328 1 237 . 1 1 37 37 CYS CA C 13 53.8 0.3 . 1 . . . A 37 CYS CA . 18328 1 238 . 1 1 37 37 CYS CB C 13 41.4 0.3 . 1 . . . A 37 CYS CB . 18328 1 239 . 1 1 37 37 CYS N N 15 114.0 0.3 . 1 . . . A 37 CYS N . 18328 1 240 . 1 1 38 38 SER H H 1 7.73 0.02 . 1 . . . A 38 SER H . 18328 1 241 . 1 1 38 38 SER HA H 1 4.19 0.02 . 1 . . . A 38 SER HA . 18328 1 242 . 1 1 38 38 SER HB2 H 1 4.03 0.02 . 1 . . . A 38 SER HB2 . 18328 1 243 . 1 1 38 38 SER CA C 13 62.5 0.3 . 1 . . . A 38 SER CA . 18328 1 244 . 1 1 38 38 SER N N 15 119.1 0.3 . 1 . . . A 38 SER N . 18328 1 245 . 1 1 39 39 THR HA H 1 3.89 0.02 . 1 . . . A 39 THR HA . 18328 1 246 . 1 1 39 39 THR HB H 1 3.81 0.02 . 1 . . . A 39 THR HB . 18328 1 247 . 1 1 39 39 THR HG21 H 1 0.96 0.02 . 1 . . . A 39 THR HG21 . 18328 1 248 . 1 1 39 39 THR HG22 H 1 0.96 0.02 . 1 . . . A 39 THR HG22 . 18328 1 249 . 1 1 39 39 THR HG23 H 1 0.96 0.02 . 1 . . . A 39 THR HG23 . 18328 1 250 . 1 1 39 39 THR CA C 13 65.7 0.3 . 1 . . . A 39 THR CA . 18328 1 251 . 1 1 39 39 THR CB C 13 67.7 0.3 . 1 . . . A 39 THR CB . 18328 1 252 . 1 1 39 39 THR CG2 C 13 21.5 0.3 . 1 . . . A 39 THR CG2 . 18328 1 253 . 1 1 40 40 TYR H H 1 7.19 0.02 . 1 . . . A 40 TYR H . 18328 1 254 . 1 1 40 40 TYR HA H 1 3.94 0.02 . 1 . . . A 40 TYR HA . 18328 1 255 . 1 1 40 40 TYR HB2 H 1 2.99 0.02 . 2 . . . A 40 TYR HB2 . 18328 1 256 . 1 1 40 40 TYR HB3 H 1 2.70 0.02 . 2 . . . A 40 TYR HB3 . 18328 1 257 . 1 1 40 40 TYR C C 13 179.7 0.3 . 1 . . . A 40 TYR C . 18328 1 258 . 1 1 40 40 TYR CA C 13 61.7 0.3 . 1 . . . A 40 TYR CA . 18328 1 259 . 1 1 40 40 TYR CB C 13 37.4 0.3 . 1 . . . A 40 TYR CB . 18328 1 260 . 1 1 40 40 TYR N N 15 120.3 0.3 . 1 . . . A 40 TYR N . 18328 1 261 . 1 1 41 41 PHE H H 1 7.64 0.02 . 1 . . . A 41 PHE H . 18328 1 262 . 1 1 41 41 PHE HA H 1 4.37 0.02 . 1 . . . A 41 PHE HA . 18328 1 263 . 1 1 41 41 PHE HB2 H 1 3.35 0.02 . 2 . . . A 41 PHE HB2 . 18328 1 264 . 1 1 41 41 PHE HB3 H 1 3.04 0.02 . 2 . . . A 41 PHE HB3 . 18328 1 265 . 1 1 41 41 PHE HZ H 1 6.94 0.02 . 1 . . . A 41 PHE HZ . 18328 1 266 . 1 1 41 41 PHE C C 13 178.4 0.3 . 1 . . . A 41 PHE C . 18328 1 267 . 1 1 41 41 PHE CA C 13 61.8 0.3 . 1 . . . A 41 PHE CA . 18328 1 268 . 1 1 41 41 PHE CB C 13 38.2 0.3 . 1 . . . A 41 PHE CB . 18328 1 269 . 1 1 41 41 PHE N N 15 120.2 0.3 . 1 . . . A 41 PHE N . 18328 1 270 . 1 1 42 42 LEU H H 1 8.32 0.02 . 1 . . . A 42 LEU H . 18328 1 271 . 1 1 42 42 LEU HA H 1 4.10 0.02 . 1 . . . A 42 LEU HA . 18328 1 272 . 1 1 42 42 LEU HB2 H 1 1.71 0.02 . 1 . . . A 42 LEU HB2 . 18328 1 273 . 1 1 42 42 LEU HG H 1 1.63 0.02 . 1 . . . A 42 LEU HG . 18328 1 274 . 1 1 42 42 LEU HD11 H 1 0.86 0.02 . 1 . . . A 42 LEU HD11 . 18328 1 275 . 1 1 42 42 LEU HD12 H 1 0.86 0.02 . 1 . . . A 42 LEU HD12 . 18328 1 276 . 1 1 42 42 LEU HD13 H 1 0.86 0.02 . 1 . . . A 42 LEU HD13 . 18328 1 277 . 1 1 42 42 LEU HD21 H 1 0.85 0.02 . 1 . . . A 42 LEU HD21 . 18328 1 278 . 1 1 42 42 LEU HD22 H 1 0.85 0.02 . 1 . . . A 42 LEU HD22 . 18328 1 279 . 1 1 42 42 LEU HD23 H 1 0.85 0.02 . 1 . . . A 42 LEU HD23 . 18328 1 280 . 1 1 42 42 LEU C C 13 178.0 0.3 . 1 . . . A 42 LEU C . 18328 1 281 . 1 1 42 42 LEU CA C 13 57.6 0.3 . 1 . . . A 42 LEU CA . 18328 1 282 . 1 1 42 42 LEU CB C 13 41.3 0.3 . 1 . . . A 42 LEU CB . 18328 1 283 . 1 1 42 42 LEU CG C 13 26.0 0.3 . 1 . . . A 42 LEU CG . 18328 1 284 . 1 1 42 42 LEU CD1 C 13 23.8 0.3 . 1 . . . A 42 LEU CD1 . 18328 1 285 . 1 1 42 42 LEU CD2 C 13 23.7 0.3 . 1 . . . A 42 LEU CD2 . 18328 1 286 . 1 1 42 42 LEU N N 15 121.6 0.3 . 1 . . . A 42 LEU N . 18328 1 287 . 1 1 43 43 ARG H H 1 7.70 0.02 . 1 . . . A 43 ARG H . 18328 1 288 . 1 1 43 43 ARG HA H 1 4.14 0.02 . 1 . . . A 43 ARG HA . 18328 1 289 . 1 1 43 43 ARG HB2 H 1 1.85 0.02 . 1 . . . A 43 ARG HB2 . 18328 1 290 . 1 1 43 43 ARG HG2 H 1 1.99 0.02 . 2 . . . A 43 ARG HG2 . 18328 1 291 . 1 1 43 43 ARG HG3 H 1 1.57 0.02 . 2 . . . A 43 ARG HG3 . 18328 1 292 . 1 1 43 43 ARG HD2 H 1 3.29 0.02 . 2 . . . A 43 ARG HD2 . 18328 1 293 . 1 1 43 43 ARG HD3 H 1 3.14 0.02 . 2 . . . A 43 ARG HD3 . 18328 1 294 . 1 1 43 43 ARG C C 13 178.6 0.3 . 1 . . . A 43 ARG C . 18328 1 295 . 1 1 43 43 ARG CA C 13 60.7 0.3 . 1 . . . A 43 ARG CA . 18328 1 296 . 1 1 43 43 ARG CB C 13 29.0 0.3 . 1 . . . A 43 ARG CB . 18328 1 297 . 1 1 43 43 ARG CG C 13 28.2 0.3 . 1 . . . A 43 ARG CG . 18328 1 298 . 1 1 43 43 ARG CD C 13 43.1 0.3 . 1 . . . A 43 ARG CD . 18328 1 299 . 1 1 43 43 ARG N N 15 118.2 0.3 . 1 . . . A 43 ARG N . 18328 1 300 . 1 1 44 44 TYR H H 1 7.66 0.02 . 1 . . . A 44 TYR H . 18328 1 301 . 1 1 44 44 TYR HA H 1 3.95 0.02 . 1 . . . A 44 TYR HA . 18328 1 302 . 1 1 44 44 TYR HB2 H 1 3.15 0.02 . 2 . . . A 44 TYR HB2 . 18328 1 303 . 1 1 44 44 TYR HB3 H 1 2.82 0.02 . 2 . . . A 44 TYR HB3 . 18328 1 304 . 1 1 44 44 TYR C C 13 178.5 0.3 . 1 . . . A 44 TYR C . 18328 1 305 . 1 1 44 44 TYR CA C 13 62.2 0.3 . 1 . . . A 44 TYR CA . 18328 1 306 . 1 1 44 44 TYR CB C 13 37.6 0.3 . 1 . . . A 44 TYR CB . 18328 1 307 . 1 1 44 44 TYR N N 15 117.7 0.3 . 1 . . . A 44 TYR N . 18328 1 308 . 1 1 46 46 ASN H H 1 8.64 0.02 . 1 . . . A 46 ASN H . 18328 1 309 . 1 1 46 46 ASN HA H 1 4.34 0.02 . 1 . . . A 46 ASN HA . 18328 1 310 . 1 1 46 46 ASN HB2 H 1 2.86 0.02 . 2 . . . A 46 ASN HB2 . 18328 1 311 . 1 1 46 46 ASN HB3 H 1 2.83 0.02 . 2 . . . A 46 ASN HB3 . 18328 1 312 . 1 1 46 46 ASN HD21 H 1 7.81 0.02 . 1 . . . A 46 ASN HD21 . 18328 1 313 . 1 1 46 46 ASN HD22 H 1 6.72 0.02 . 1 . . . A 46 ASN HD22 . 18328 1 314 . 1 1 46 46 ASN C C 13 177.8 0.3 . 1 . . . A 46 ASN C . 18328 1 315 . 1 1 46 46 ASN CA C 13 55.1 0.3 . 1 . . . A 46 ASN CA . 18328 1 316 . 1 1 46 46 ASN CB C 13 37.2 0.3 . 1 . . . A 46 ASN CB . 18328 1 317 . 1 1 46 46 ASN N N 15 117.7 0.3 . 1 . . . A 46 ASN N . 18328 1 318 . 1 1 46 46 ASN ND2 N 15 110.9 0.3 . 1 . . . A 46 ASN ND2 . 18328 1 319 . 1 1 47 47 CYS H H 1 8.28 0.02 . 1 . . . A 47 CYS H . 18328 1 320 . 1 1 47 47 CYS HA H 1 2.62 0.02 . 1 . . . A 47 CYS HA . 18328 1 321 . 1 1 47 47 CYS HB2 H 1 3.16 0.02 . 2 . . . A 47 CYS HB2 . 18328 1 322 . 1 1 47 47 CYS HB3 H 1 2.51 0.02 . 2 . . . A 47 CYS HB3 . 18328 1 323 . 1 1 47 47 CYS C C 13 175.5 0.3 . 1 . . . A 47 CYS C . 18328 1 324 . 1 1 47 47 CYS CA C 13 59.6 0.3 . 1 . . . A 47 CYS CA . 18328 1 325 . 1 1 47 47 CYS CB C 13 41.8 0.3 . 1 . . . A 47 CYS CB . 18328 1 326 . 1 1 47 47 CYS N N 15 124.8 0.3 . 1 . . . A 47 CYS N . 18328 1 327 . 1 1 48 48 ARG H H 1 8.00 0.02 . 1 . . . A 48 ARG H . 18328 1 328 . 1 1 48 48 ARG HA H 1 3.69 0.02 . 1 . . . A 48 ARG HA . 18328 1 329 . 1 1 48 48 ARG HB2 H 1 1.53 0.02 . 1 . . . A 48 ARG HB2 . 18328 1 330 . 1 1 48 48 ARG HG2 H 1 1.53 0.02 . 1 . . . A 48 ARG HG2 . 18328 1 331 . 1 1 48 48 ARG HD2 H 1 3.00 0.02 . 2 . . . A 48 ARG HD2 . 18328 1 332 . 1 1 48 48 ARG HD3 H 1 2.90 0.02 . 2 . . . A 48 ARG HD3 . 18328 1 333 . 1 1 48 48 ARG C C 13 179.6 0.3 . 1 . . . A 48 ARG C . 18328 1 334 . 1 1 48 48 ARG CA C 13 57.2 0.3 . 1 . . . A 48 ARG CA . 18328 1 335 . 1 1 48 48 ARG CB C 13 28.2 0.3 . 1 . . . A 48 ARG CB . 18328 1 336 . 1 1 48 48 ARG CG C 13 26.3 0.3 . 1 . . . A 48 ARG CG . 18328 1 337 . 1 1 48 48 ARG CD C 13 42.1 0.3 . 1 . . . A 48 ARG CD . 18328 1 338 . 1 1 48 48 ARG N N 15 121.1 0.3 . 1 . . . A 48 ARG N . 18328 1 339 . 1 1 49 49 ARG H H 1 8.15 0.02 . 1 . . . A 49 ARG H . 18328 1 340 . 1 1 49 49 ARG HA H 1 3.88 0.02 . 1 . . . A 49 ARG HA . 18328 1 341 . 1 1 49 49 ARG HB2 H 1 1.78 0.02 . 2 . . . A 49 ARG HB2 . 18328 1 342 . 1 1 49 49 ARG HB3 H 1 1.78 0.02 . 2 . . . A 49 ARG HB3 . 18328 1 343 . 1 1 49 49 ARG HG2 H 1 1.70 0.02 . 2 . . . A 49 ARG HG2 . 18328 1 344 . 1 1 49 49 ARG HG3 H 1 1.53 0.02 . 2 . . . A 49 ARG HG3 . 18328 1 345 . 1 1 49 49 ARG HD2 H 1 3.09 0.02 . 1 . . . A 49 ARG HD2 . 18328 1 346 . 1 1 49 49 ARG C C 13 178.9 0.3 . 1 . . . A 49 ARG C . 18328 1 347 . 1 1 49 49 ARG CA C 13 59.4 0.3 . 1 . . . A 49 ARG CA . 18328 1 348 . 1 1 49 49 ARG CB C 13 29.8 0.3 . 1 . . . A 49 ARG CB . 18328 1 349 . 1 1 49 49 ARG CG C 13 27.3 0.3 . 1 . . . A 49 ARG CG . 18328 1 350 . 1 1 49 49 ARG CD C 13 43.1 0.3 . 1 . . . A 49 ARG CD . 18328 1 351 . 1 1 49 49 ARG N N 15 118.8 0.3 . 1 . . . A 49 ARG N . 18328 1 352 . 1 1 50 50 PHE H H 1 7.89 0.02 . 1 . . . A 50 PHE H . 18328 1 353 . 1 1 50 50 PHE HA H 1 3.94 0.02 . 1 . . . A 50 PHE HA . 18328 1 354 . 1 1 50 50 PHE HB2 H 1 3.02 0.02 . 2 . . . A 50 PHE HB2 . 18328 1 355 . 1 1 50 50 PHE HB3 H 1 2.70 0.02 . 2 . . . A 50 PHE HB3 . 18328 1 356 . 1 1 50 50 PHE HZ H 1 6.59 0.02 . 1 . . . A 50 PHE HZ . 18328 1 357 . 1 1 50 50 PHE C C 13 178.3 0.3 . 1 . . . A 50 PHE C . 18328 1 358 . 1 1 50 50 PHE CA C 13 61.8 0.3 . 1 . . . A 50 PHE CA . 18328 1 359 . 1 1 50 50 PHE CB C 13 38.2 0.3 . 1 . . . A 50 PHE CB . 18328 1 360 . 1 1 50 50 PHE N N 15 121.0 0.3 . 1 . . . A 50 PHE N . 18328 1 361 . 1 1 51 51 TRP H H 1 8.06 0.02 . 1 . . . A 51 TRP H . 18328 1 362 . 1 1 51 51 TRP HA H 1 4.21 0.02 . 1 . . . A 51 TRP HA . 18328 1 363 . 1 1 51 51 TRP HB2 H 1 3.17 0.02 . 2 . . . A 51 TRP HB2 . 18328 1 364 . 1 1 51 51 TRP HB3 H 1 3.06 0.02 . 2 . . . A 51 TRP HB3 . 18328 1 365 . 1 1 51 51 TRP HD1 H 1 7.53 0.02 . 1 . . . A 51 TRP HD1 . 18328 1 366 . 1 1 51 51 TRP HE1 H 1 10.64 0.02 . 1 . . . A 51 TRP HE1 . 18328 1 367 . 1 1 51 51 TRP HE3 H 1 7.38 0.02 . 1 . . . A 51 TRP HE3 . 18328 1 368 . 1 1 51 51 TRP HZ2 H 1 7.70 0.02 . 1 . . . A 51 TRP HZ2 . 18328 1 369 . 1 1 51 51 TRP HZ3 H 1 7.37 0.02 . 1 . . . A 51 TRP HZ3 . 18328 1 370 . 1 1 51 51 TRP HH2 H 1 7.04 0.02 . 1 . . . A 51 TRP HH2 . 18328 1 371 . 1 1 51 51 TRP C C 13 178.2 0.3 . 1 . . . A 51 TRP C . 18328 1 372 . 1 1 51 51 TRP CA C 13 59.9 0.3 . 1 . . . A 51 TRP CA . 18328 1 373 . 1 1 51 51 TRP CB C 13 28.8 0.3 . 1 . . . A 51 TRP CB . 18328 1 374 . 1 1 51 51 TRP N N 15 118.9 0.3 . 1 . . . A 51 TRP N . 18328 1 375 . 1 1 51 51 TRP NE1 N 15 128.8 0.3 . 1 . . . A 51 TRP NE1 . 18328 1 376 . 1 1 52 52 ASN H H 1 8.55 0.02 . 1 . . . A 52 ASN H . 18328 1 377 . 1 1 52 52 ASN HA H 1 4.47 0.02 . 1 . . . A 52 ASN HA . 18328 1 378 . 1 1 52 52 ASN HB2 H 1 2.86 0.02 . 2 . . . A 52 ASN HB2 . 18328 1 379 . 1 1 52 52 ASN HB3 H 1 2.71 0.02 . 2 . . . A 52 ASN HB3 . 18328 1 380 . 1 1 52 52 ASN HD21 H 1 6.80 0.02 . 1 . . . A 52 ASN HD21 . 18328 1 381 . 1 1 52 52 ASN HD22 H 1 7.64 0.02 . 1 . . . A 52 ASN HD22 . 18328 1 382 . 1 1 52 52 ASN C C 13 178.0 0.3 . 1 . . . A 52 ASN C . 18328 1 383 . 1 1 52 52 ASN CA C 13 55.9 0.3 . 1 . . . A 52 ASN CA . 18328 1 384 . 1 1 52 52 ASN CB C 13 37.5 0.3 . 1 . . . A 52 ASN CB . 18328 1 385 . 1 1 52 52 ASN N N 15 118.4 0.3 . 1 . . . A 52 ASN N . 18328 1 386 . 1 1 52 52 ASN ND2 N 15 111.8 0.3 . 1 . . . A 52 ASN ND2 . 18328 1 387 . 1 1 53 53 SER H H 1 7.57 0.02 . 1 . . . A 53 SER H . 18328 1 388 . 1 1 53 53 SER HA H 1 3.80 0.02 . 1 . . . A 53 SER HA . 18328 1 389 . 1 1 53 53 SER HB2 H 1 4.14 0.02 . 2 . . . A 53 SER HB2 . 18328 1 390 . 1 1 53 53 SER HB3 H 1 3.82 0.02 . 2 . . . A 53 SER HB3 . 18328 1 391 . 1 1 53 53 SER C C 13 176.5 0.3 . 1 . . . A 53 SER C . 18328 1 392 . 1 1 53 53 SER CA C 13 62.1 0.3 . 1 . . . A 53 SER CA . 18328 1 393 . 1 1 53 53 SER CB C 13 61.4 0.3 . 1 . . . A 53 SER CB . 18328 1 394 . 1 1 53 53 SER N N 15 116.0 0.3 . 1 . . . A 53 SER N . 18328 1 395 . 1 1 54 54 ILE H H 1 7.02 0.02 . 1 . . . A 54 ILE H . 18328 1 396 . 1 1 54 54 ILE HA H 1 3.67 0.02 . 1 . . . A 54 ILE HA . 18328 1 397 . 1 1 54 54 ILE HB H 1 2.28 0.02 . 1 . . . A 54 ILE HB . 18328 1 398 . 1 1 54 54 ILE HG12 H 1 0.67 0.02 . 2 . . . A 54 ILE HG12 . 18328 1 399 . 1 1 54 54 ILE HG13 H 1 0.79 0.02 . 2 . . . A 54 ILE HG13 . 18328 1 400 . 1 1 54 54 ILE HG21 H 1 1.02 0.02 . 1 . . . A 54 ILE HG21 . 18328 1 401 . 1 1 54 54 ILE HG22 H 1 1.02 0.02 . 1 . . . A 54 ILE HG22 . 18328 1 402 . 1 1 54 54 ILE HG23 H 1 1.02 0.02 . 1 . . . A 54 ILE HG23 . 18328 1 403 . 1 1 54 54 ILE HD11 H 1 0.26 0.02 . 1 . . . A 54 ILE HD11 . 18328 1 404 . 1 1 54 54 ILE HD12 H 1 0.26 0.02 . 1 . . . A 54 ILE HD12 . 18328 1 405 . 1 1 54 54 ILE HD13 H 1 0.26 0.02 . 1 . . . A 54 ILE HD13 . 18328 1 406 . 1 1 54 54 ILE C C 13 178.1 0.3 . 1 . . . A 54 ILE C . 18328 1 407 . 1 1 54 54 ILE CA C 13 62.2 0.3 . 1 . . . A 54 ILE CA . 18328 1 408 . 1 1 54 54 ILE CB C 13 35.9 0.3 . 1 . . . A 54 ILE CB . 18328 1 409 . 1 1 54 54 ILE CG1 C 13 26.5 0.3 . 1 . . . A 54 ILE CG1 . 18328 1 410 . 1 1 54 54 ILE CG2 C 13 17.0 0.3 . 1 . . . A 54 ILE CG2 . 18328 1 411 . 1 1 54 54 ILE CD1 C 13 8.8 0.3 . 1 . . . A 54 ILE CD1 . 18328 1 412 . 1 1 54 54 ILE N N 15 124.7 0.3 . 1 . . . A 54 ILE N . 18328 1 413 . 1 1 55 55 VAL H H 1 8.54 0.02 . 1 . . . A 55 VAL H . 18328 1 414 . 1 1 55 55 VAL HA H 1 3.88 0.02 . 1 . . . A 55 VAL HA . 18328 1 415 . 1 1 55 55 VAL HB H 1 2.17 0.02 . 1 . . . A 55 VAL HB . 18328 1 416 . 1 1 55 55 VAL HG11 H 1 0.82 0.02 . 1 . . . A 55 VAL HG11 . 18328 1 417 . 1 1 55 55 VAL HG12 H 1 0.82 0.02 . 1 . . . A 55 VAL HG12 . 18328 1 418 . 1 1 55 55 VAL HG13 H 1 0.82 0.02 . 1 . . . A 55 VAL HG13 . 18328 1 419 . 1 1 55 55 VAL HG21 H 1 1.27 0.02 . 1 . . . A 55 VAL HG21 . 18328 1 420 . 1 1 55 55 VAL HG22 H 1 1.27 0.02 . 1 . . . A 55 VAL HG22 . 18328 1 421 . 1 1 55 55 VAL HG23 H 1 1.27 0.02 . 1 . . . A 55 VAL HG23 . 18328 1 422 . 1 1 55 55 VAL C C 13 178.3 0.3 . 1 . . . A 55 VAL C . 18328 1 423 . 1 1 55 55 VAL CA C 13 65.7 0.3 . 1 . . . A 55 VAL CA . 18328 1 424 . 1 1 55 55 VAL CB C 13 31.5 0.3 . 1 . . . A 55 VAL CB . 18328 1 425 . 1 1 55 55 VAL CG1 C 13 20.8 0.3 . 1 . . . A 55 VAL CG1 . 18328 1 426 . 1 1 55 55 VAL CG2 C 13 22.6 0.3 . 1 . . . A 55 VAL CG2 . 18328 1 427 . 1 1 55 55 VAL N N 15 121.6 0.3 . 1 . . . A 55 VAL N . 18328 1 428 . 1 1 56 56 MET H H 1 7.86 0.02 . 1 . . . A 56 MET H . 18328 1 429 . 1 1 56 56 MET HA H 1 3.92 0.02 . 1 . . . A 56 MET HA . 18328 1 430 . 1 1 56 56 MET HB2 H 1 2.09 0.02 . 2 . . . A 56 MET HB2 . 18328 1 431 . 1 1 56 56 MET HB3 H 1 2.00 0.02 . 2 . . . A 56 MET HB3 . 18328 1 432 . 1 1 56 56 MET HG2 H 1 2.61 0.02 . 2 . . . A 56 MET HG2 . 18328 1 433 . 1 1 56 56 MET HG3 H 1 2.51 0.02 . 2 . . . A 56 MET HG3 . 18328 1 434 . 1 1 56 56 MET HE1 H 1 1.96 0.02 . 1 . . . A 56 MET HE1 . 18328 1 435 . 1 1 56 56 MET HE2 H 1 1.96 0.02 . 1 . . . A 56 MET HE2 . 18328 1 436 . 1 1 56 56 MET HE3 H 1 1.96 0.02 . 1 . . . A 56 MET HE3 . 18328 1 437 . 1 1 56 56 MET C C 13 179.2 0.3 . 1 . . . A 56 MET C . 18328 1 438 . 1 1 56 56 MET CA C 13 58.4 0.3 . 1 . . . A 56 MET CA . 18328 1 439 . 1 1 56 56 MET CB C 13 31.8 0.3 . 1 . . . A 56 MET CB . 18328 1 440 . 1 1 56 56 MET CG C 13 31.5 0.3 . 1 . . . A 56 MET CG . 18328 1 441 . 1 1 56 56 MET CE C 13 16.8 0.3 . 1 . . . A 56 MET CE . 18328 1 442 . 1 1 56 56 MET N N 15 116.3 0.3 . 1 . . . A 56 MET N . 18328 1 443 . 1 1 57 57 GLN H H 1 7.61 0.02 . 1 . . . A 57 GLN H . 18328 1 444 . 1 1 57 57 GLN HA H 1 3.91 0.02 . 1 . . . A 57 GLN HA . 18328 1 445 . 1 1 57 57 GLN HB2 H 1 2.12 0.02 . 1 . . . A 57 GLN HB2 . 18328 1 446 . 1 1 57 57 GLN HG2 H 1 2.39 0.02 . 2 . . . A 57 GLN HG2 . 18328 1 447 . 1 1 57 57 GLN HG3 H 1 2.26 0.02 . 2 . . . A 57 GLN HG3 . 18328 1 448 . 1 1 57 57 GLN HE21 H 1 7.56 0.02 . 1 . . . A 57 GLN HE21 . 18328 1 449 . 1 1 57 57 GLN HE22 H 1 6.88 0.02 . 1 . . . A 57 GLN HE22 . 18328 1 450 . 1 1 57 57 GLN C C 13 178.3 0.3 . 1 . . . A 57 GLN C . 18328 1 451 . 1 1 57 57 GLN CA C 13 59.0 0.3 . 1 . . . A 57 GLN CA . 18328 1 452 . 1 1 57 57 GLN CB C 13 28.4 0.3 . 1 . . . A 57 GLN CB . 18328 1 453 . 1 1 57 57 GLN CG C 13 33.4 0.3 . 1 . . . A 57 GLN CG . 18328 1 454 . 1 1 57 57 GLN N N 15 119.9 0.3 . 1 . . . A 57 GLN N . 18328 1 455 . 1 1 57 57 GLN NE2 N 15 112.2 0.3 . 1 . . . A 57 GLN NE2 . 18328 1 456 . 1 1 58 58 ARG H H 1 8.48 0.02 . 1 . . . A 58 ARG H . 18328 1 457 . 1 1 58 58 ARG HA H 1 3.90 0.02 . 1 . . . A 58 ARG HA . 18328 1 458 . 1 1 58 58 ARG HB2 H 1 2.82 0.02 . 2 . . . A 58 ARG HB2 . 18328 1 459 . 1 1 58 58 ARG HB3 H 1 2.16 0.02 . 2 . . . A 58 ARG HB3 . 18328 1 460 . 1 1 58 58 ARG HG2 H 1 1.92 0.02 . 2 . . . A 58 ARG HG2 . 18328 1 461 . 1 1 58 58 ARG HG3 H 1 1.38 0.02 . 2 . . . A 58 ARG HG3 . 18328 1 462 . 1 1 58 58 ARG HD2 H 1 3.49 0.02 . 2 . . . A 58 ARG HD2 . 18328 1 463 . 1 1 58 58 ARG HD3 H 1 3.23 0.02 . 2 . . . A 58 ARG HD3 . 18328 1 464 . 1 1 58 58 ARG C C 13 179.3 0.3 . 1 . . . A 58 ARG C . 18328 1 465 . 1 1 58 58 ARG CA C 13 60.1 0.3 . 1 . . . A 58 ARG CA . 18328 1 466 . 1 1 58 58 ARG CB C 13 29.5 0.3 . 1 . . . A 58 ARG CB . 18328 1 467 . 1 1 58 58 ARG CG C 13 29.6 0.3 . 1 . . . A 58 ARG CG . 18328 1 468 . 1 1 58 58 ARG CD C 13 44.3 0.3 . 1 . . . A 58 ARG CD . 18328 1 469 . 1 1 58 58 ARG N N 15 121.5 0.3 . 1 . . . A 58 ARG N . 18328 1 470 . 1 1 59 59 ARG H H 1 8.65 0.02 . 1 . . . A 59 ARG H . 18328 1 471 . 1 1 59 59 ARG HA H 1 3.33 0.02 . 1 . . . A 59 ARG HA . 18328 1 472 . 1 1 59 59 ARG HB2 H 1 1.39 0.02 . 2 . . . A 59 ARG HB2 . 18328 1 473 . 1 1 59 59 ARG HB3 H 1 1.17 0.02 . 2 . . . A 59 ARG HB3 . 18328 1 474 . 1 1 59 59 ARG HG2 H 1 0.91 0.02 . 2 . . . A 59 ARG HG2 . 18328 1 475 . 1 1 59 59 ARG HG3 H 1 0.49 0.02 . 2 . . . A 59 ARG HG3 . 18328 1 476 . 1 1 59 59 ARG HD2 H 1 2.71 0.02 . 1 . . . A 59 ARG HD2 . 18328 1 477 . 1 1 59 59 ARG C C 13 179.8 0.3 . 1 . . . A 59 ARG C . 18328 1 478 . 1 1 59 59 ARG CA C 13 59.1 0.3 . 1 . . . A 59 ARG CA . 18328 1 479 . 1 1 59 59 ARG CB C 13 29.5 0.3 . 1 . . . A 59 ARG CB . 18328 1 480 . 1 1 59 59 ARG CG C 13 26.7 0.3 . 1 . . . A 59 ARG CG . 18328 1 481 . 1 1 59 59 ARG CD C 13 43.1 0.3 . 1 . . . A 59 ARG CD . 18328 1 482 . 1 1 59 59 ARG N N 15 119.0 0.3 . 1 . . . A 59 ARG N . 18328 1 483 . 1 1 60 60 LYS H H 1 7.70 0.02 . 1 . . . A 60 LYS H . 18328 1 484 . 1 1 60 60 LYS HA H 1 3.87 0.02 . 1 . . . A 60 LYS HA . 18328 1 485 . 1 1 60 60 LYS HB2 H 1 1.80 0.02 . 1 . . . A 60 LYS HB2 . 18328 1 486 . 1 1 60 60 LYS HG2 H 1 1.39 0.02 . 2 . . . A 60 LYS HG2 . 18328 1 487 . 1 1 60 60 LYS HG3 H 1 1.30 0.02 . 2 . . . A 60 LYS HG3 . 18328 1 488 . 1 1 60 60 LYS HD2 H 1 1.53 0.02 . 1 . . . A 60 LYS HD2 . 18328 1 489 . 1 1 60 60 LYS HE2 H 1 2.85 0.02 . 1 . . . A 60 LYS HE2 . 18328 1 490 . 1 1 60 60 LYS C C 13 178.0 0.3 . 1 . . . A 60 LYS C . 18328 1 491 . 1 1 60 60 LYS CA C 13 58.9 0.3 . 1 . . . A 60 LYS CA . 18328 1 492 . 1 1 60 60 LYS CB C 13 31.8 0.3 . 1 . . . A 60 LYS CB . 18328 1 493 . 1 1 60 60 LYS CG C 13 24.4 0.3 . 1 . . . A 60 LYS CG . 18328 1 494 . 1 1 60 60 LYS CD C 13 29.2 0.3 . 1 . . . A 60 LYS CD . 18328 1 495 . 1 1 60 60 LYS CE C 13 41.8 0.3 . 1 . . . A 60 LYS CE . 18328 1 496 . 1 1 60 60 LYS N N 15 120.0 0.3 . 1 . . . A 60 LYS N . 18328 1 497 . 1 1 61 61 ASN H H 1 7.73 0.02 . 1 . . . A 61 ASN H . 18328 1 498 . 1 1 61 61 ASN HA H 1 4.68 0.02 . 1 . . . A 61 ASN HA . 18328 1 499 . 1 1 61 61 ASN HB2 H 1 2.92 0.02 . 2 . . . A 61 ASN HB2 . 18328 1 500 . 1 1 61 61 ASN HB3 H 1 2.62 0.02 . 2 . . . A 61 ASN HB3 . 18328 1 501 . 1 1 61 61 ASN HD21 H 1 7.53 0.02 . 1 . . . A 61 ASN HD21 . 18328 1 502 . 1 1 61 61 ASN HD22 H 1 6.88 0.02 . 1 . . . A 61 ASN HD22 . 18328 1 503 . 1 1 61 61 ASN C C 13 175.1 0.3 . 1 . . . A 61 ASN C . 18328 1 504 . 1 1 61 61 ASN CA C 13 53.1 0.3 . 1 . . . A 61 ASN CA . 18328 1 505 . 1 1 61 61 ASN CB C 13 39.1 0.3 . 1 . . . A 61 ASN CB . 18328 1 506 . 1 1 61 61 ASN N N 15 114.1 0.3 . 1 . . . A 61 ASN N . 18328 1 507 . 1 1 61 61 ASN ND2 N 15 112.2 0.3 . 1 . . . A 61 ASN ND2 . 18328 1 508 . 1 1 62 62 GLY H H 1 7.85 0.02 . 1 . . . A 62 GLY H . 18328 1 509 . 1 1 62 62 GLY HA2 H 1 3.99 0.02 . 2 . . . A 62 GLY HA2 . 18328 1 510 . 1 1 62 62 GLY HA3 H 1 3.83 0.02 . 2 . . . A 62 GLY HA3 . 18328 1 511 . 1 1 62 62 GLY C C 13 174.0 0.3 . 1 . . . A 62 GLY C . 18328 1 512 . 1 1 62 62 GLY CA C 13 46.6 0.3 . 1 . . . A 62 GLY CA . 18328 1 513 . 1 1 62 62 GLY N N 15 110.9 0.3 . 1 . . . A 62 GLY N . 18328 1 514 . 1 1 63 63 VAL H H 1 8.54 0.02 . 1 . . . A 63 VAL H . 18328 1 515 . 1 1 63 63 VAL HA H 1 3.76 0.02 . 1 . . . A 63 VAL HA . 18328 1 516 . 1 1 63 63 VAL HB H 1 1.76 0.02 . 1 . . . A 63 VAL HB . 18328 1 517 . 1 1 63 63 VAL HG11 H 1 0.81 0.02 . 1 . . . A 63 VAL HG11 . 18328 1 518 . 1 1 63 63 VAL HG12 H 1 0.81 0.02 . 1 . . . A 63 VAL HG12 . 18328 1 519 . 1 1 63 63 VAL HG13 H 1 0.81 0.02 . 1 . . . A 63 VAL HG13 . 18328 1 520 . 1 1 63 63 VAL HG21 H 1 0.74 0.02 . 1 . . . A 63 VAL HG21 . 18328 1 521 . 1 1 63 63 VAL HG22 H 1 0.74 0.02 . 1 . . . A 63 VAL HG22 . 18328 1 522 . 1 1 63 63 VAL HG23 H 1 0.74 0.02 . 1 . . . A 63 VAL HG23 . 18328 1 523 . 1 1 63 63 VAL C C 13 172.6 0.3 . 1 . . . A 63 VAL C . 18328 1 524 . 1 1 63 63 VAL CA C 13 62.4 0.3 . 1 . . . A 63 VAL CA . 18328 1 525 . 1 1 63 63 VAL CB C 13 32.1 0.3 . 1 . . . A 63 VAL CB . 18328 1 526 . 1 1 63 63 VAL CG1 C 13 20.7 0.3 . 1 . . . A 63 VAL CG1 . 18328 1 527 . 1 1 63 63 VAL CG2 C 13 20.0 0.3 . 1 . . . A 63 VAL CG2 . 18328 1 528 . 1 1 63 63 VAL N N 15 124.1 0.3 . 1 . . . A 63 VAL N . 18328 1 529 . 1 1 64 64 LYS H H 1 7.67 0.02 . 1 . . . A 64 LYS H . 18328 1 530 . 1 1 64 64 LYS HA H 1 3.99 0.02 . 1 . . . A 64 LYS HA . 18328 1 531 . 1 1 64 64 LYS HB2 H 1 1.30 0.02 . 1 . . . A 64 LYS HB2 . 18328 1 532 . 1 1 64 64 LYS HG2 H 1 1.04 0.02 . 2 . . . A 64 LYS HG2 . 18328 1 533 . 1 1 64 64 LYS HG3 H 1 0.56 0.02 . 2 . . . A 64 LYS HG3 . 18328 1 534 . 1 1 64 64 LYS HD2 H 1 1.30 0.02 . 1 . . . A 64 LYS HD2 . 18328 1 535 . 1 1 64 64 LYS HE2 H 1 2.69 0.02 . 1 . . . A 64 LYS HE2 . 18328 1 536 . 1 1 64 64 LYS C C 13 175.6 0.3 . 1 . . . A 64 LYS C . 18328 1 537 . 1 1 64 64 LYS CA C 13 52.7 0.3 . 1 . . . A 64 LYS CA . 18328 1 538 . 1 1 64 64 LYS CB C 13 33.1 0.3 . 1 . . . A 64 LYS CB . 18328 1 539 . 1 1 64 64 LYS CG C 13 25.1 0.3 . 1 . . . A 64 LYS CG . 18328 1 540 . 1 1 64 64 LYS CD C 13 29.0 0.3 . 1 . . . A 64 LYS CD . 18328 1 541 . 1 1 64 64 LYS CE C 13 41.5 0.3 . 1 . . . A 64 LYS CE . 18328 1 542 . 1 1 64 64 LYS N N 15 122.1 0.3 . 1 . . . A 64 LYS N . 18328 1 543 . 1 1 65 65 PRO HA H 1 4.14 0.02 . 1 . . . A 65 PRO HA . 18328 1 544 . 1 1 65 65 PRO HB2 H 1 2.11 0.02 . 2 . . . A 65 PRO HB2 . 18328 1 545 . 1 1 65 65 PRO HB3 H 1 2.08 0.02 . 2 . . . A 65 PRO HB3 . 18328 1 546 . 1 1 65 65 PRO HG2 H 1 2.04 0.02 . 2 . . . A 65 PRO HG2 . 18328 1 547 . 1 1 65 65 PRO HG3 H 1 1.80 0.02 . 2 . . . A 65 PRO HG3 . 18328 1 548 . 1 1 65 65 PRO HD2 H 1 3.56 0.02 . 2 . . . A 65 PRO HD2 . 18328 1 549 . 1 1 65 65 PRO HD3 H 1 3.23 0.02 . 2 . . . A 65 PRO HD3 . 18328 1 550 . 1 1 65 65 PRO CA C 13 61.3 0.3 . 1 . . . A 65 PRO CA . 18328 1 551 . 1 1 65 65 PRO CB C 13 32.7 0.3 . 1 . . . A 65 PRO CB . 18328 1 552 . 1 1 65 65 PRO CG C 13 24.7 0.3 . 1 . . . A 65 PRO CG . 18328 1 553 . 1 1 65 65 PRO CD C 13 49.7 0.3 . 1 . . . A 65 PRO CD . 18328 1 554 . 1 1 66 66 PHE H H 1 8.16 0.02 . 1 . . . A 66 PHE H . 18328 1 555 . 1 1 66 66 PHE HA H 1 4.58 0.02 . 1 . . . A 66 PHE HA . 18328 1 556 . 1 1 66 66 PHE HB2 H 1 3.32 0.02 . 2 . . . A 66 PHE HB2 . 18328 1 557 . 1 1 66 66 PHE HB3 H 1 2.87 0.02 . 2 . . . A 66 PHE HB3 . 18328 1 558 . 1 1 66 66 PHE HZ H 1 7.24 0.02 . 1 . . . A 66 PHE HZ . 18328 1 559 . 1 1 66 66 PHE C C 13 176.1 0.3 . 1 . . . A 66 PHE C . 18328 1 560 . 1 1 66 66 PHE CA C 13 59.0 0.3 . 1 . . . A 66 PHE CA . 18328 1 561 . 1 1 66 66 PHE CB C 13 37.0 0.3 . 1 . . . A 66 PHE CB . 18328 1 562 . 1 1 66 66 PHE N N 15 123.5 0.3 . 1 . . . A 66 PHE N . 18328 1 563 . 1 1 67 67 MET H H 1 7.83 0.02 . 1 . . . A 67 MET H . 18328 1 564 . 1 1 67 67 MET HA H 1 5.11 0.02 . 1 . . . A 67 MET HA . 18328 1 565 . 1 1 67 67 MET HB2 H 1 2.03 0.02 . 2 . . . A 67 MET HB2 . 18328 1 566 . 1 1 67 67 MET HB3 H 1 1.88 0.02 . 2 . . . A 67 MET HB3 . 18328 1 567 . 1 1 67 67 MET HG2 H 1 2.50 0.02 . 2 . . . A 67 MET HG2 . 18328 1 568 . 1 1 67 67 MET HG3 H 1 2.18 0.02 . 2 . . . A 67 MET HG3 . 18328 1 569 . 1 1 67 67 MET HE1 H 1 1.90 0.02 . 1 . . . A 67 MET HE1 . 18328 1 570 . 1 1 67 67 MET HE2 H 1 1.90 0.02 . 1 . . . A 67 MET HE2 . 18328 1 571 . 1 1 67 67 MET HE3 H 1 1.90 0.02 . 1 . . . A 67 MET HE3 . 18328 1 572 . 1 1 67 67 MET C C 13 173.3 0.3 . 1 . . . A 67 MET C . 18328 1 573 . 1 1 67 67 MET CA C 13 50.3 0.3 . 1 . . . A 67 MET CA . 18328 1 574 . 1 1 67 67 MET CB C 13 29.9 0.3 . 1 . . . A 67 MET CB . 18328 1 575 . 1 1 67 67 MET CG C 13 31.3 0.3 . 1 . . . A 67 MET CG . 18328 1 576 . 1 1 67 67 MET CE C 13 16.3 0.3 . 1 . . . A 67 MET CE . 18328 1 577 . 1 1 67 67 MET N N 15 114.7 0.3 . 1 . . . A 67 MET N . 18328 1 578 . 1 1 68 68 PRO HA H 1 4.25 0.02 . 1 . . . A 68 PRO HA . 18328 1 579 . 1 1 68 68 PRO HB2 H 1 1.99 0.02 . 2 . . . A 68 PRO HB2 . 18328 1 580 . 1 1 68 68 PRO HB3 H 1 1.72 0.02 . 2 . . . A 68 PRO HB3 . 18328 1 581 . 1 1 68 68 PRO HG2 H 1 1.79 0.02 . 2 . . . A 68 PRO HG2 . 18328 1 582 . 1 1 68 68 PRO HG3 H 1 1.60 0.02 . 2 . . . A 68 PRO HG3 . 18328 1 583 . 1 1 68 68 PRO HD2 H 1 4.06 0.02 . 2 . . . A 68 PRO HD2 . 18328 1 584 . 1 1 68 68 PRO HD3 H 1 3.81 0.02 . 2 . . . A 68 PRO HD3 . 18328 1 585 . 1 1 68 68 PRO CA C 13 61.9 0.3 . 1 . . . A 68 PRO CA . 18328 1 586 . 1 1 68 68 PRO CB C 13 30.8 0.3 . 1 . . . A 68 PRO CB . 18328 1 587 . 1 1 68 68 PRO CG C 13 27.0 0.3 . 1 . . . A 68 PRO CG . 18328 1 588 . 1 1 68 68 PRO CD C 13 50.2 0.3 . 1 . . . A 68 PRO CD . 18328 1 589 . 1 1 69 69 THR H H 1 8.26 0.02 . 1 . . . A 69 THR H . 18328 1 590 . 1 1 69 69 THR HA H 1 4.03 0.02 . 1 . . . A 69 THR HA . 18328 1 591 . 1 1 69 69 THR HB H 1 4.49 0.02 . 1 . . . A 69 THR HB . 18328 1 592 . 1 1 69 69 THR HG21 H 1 1.25 0.02 . 1 . . . A 69 THR HG21 . 18328 1 593 . 1 1 69 69 THR HG22 H 1 1.25 0.02 . 1 . . . A 69 THR HG22 . 18328 1 594 . 1 1 69 69 THR HG23 H 1 1.25 0.02 . 1 . . . A 69 THR HG23 . 18328 1 595 . 1 1 69 69 THR C C 13 175.0 0.3 . 1 . . . A 69 THR C . 18328 1 596 . 1 1 69 69 THR CA C 13 61.1 0.3 . 1 . . . A 69 THR CA . 18328 1 597 . 1 1 69 69 THR CB C 13 70.4 0.3 . 1 . . . A 69 THR CB . 18328 1 598 . 1 1 69 69 THR CG2 C 13 22.0 0.3 . 1 . . . A 69 THR CG2 . 18328 1 599 . 1 1 69 69 THR N N 15 111.1 0.3 . 1 . . . A 69 THR N . 18328 1 600 . 1 1 70 70 ALA H H 1 8.90 0.02 . 1 . . . A 70 ALA H . 18328 1 601 . 1 1 70 70 ALA HA H 1 3.52 0.02 . 1 . . . A 70 ALA HA . 18328 1 602 . 1 1 70 70 ALA HB1 H 1 1.27 0.02 . 1 . . . A 70 ALA HB1 . 18328 1 603 . 1 1 70 70 ALA HB2 H 1 1.27 0.02 . 1 . . . A 70 ALA HB2 . 18328 1 604 . 1 1 70 70 ALA HB3 H 1 1.27 0.02 . 1 . . . A 70 ALA HB3 . 18328 1 605 . 1 1 70 70 ALA C C 13 179.9 0.3 . 1 . . . A 70 ALA C . 18328 1 606 . 1 1 70 70 ALA CA C 13 56.3 0.3 . 1 . . . A 70 ALA CA . 18328 1 607 . 1 1 70 70 ALA CB C 13 17.4 0.3 . 1 . . . A 70 ALA CB . 18328 1 608 . 1 1 70 70 ALA N N 15 123.1 0.3 . 1 . . . A 70 ALA N . 18328 1 609 . 1 1 71 71 ALA H H 1 8.51 0.02 . 1 . . . A 71 ALA H . 18328 1 610 . 1 1 71 71 ALA HA H 1 4.06 0.02 . 1 . . . A 71 ALA HA . 18328 1 611 . 1 1 71 71 ALA HB1 H 1 1.29 0.02 . 1 . . . A 71 ALA HB1 . 18328 1 612 . 1 1 71 71 ALA HB2 H 1 1.29 0.02 . 1 . . . A 71 ALA HB2 . 18328 1 613 . 1 1 71 71 ALA HB3 H 1 1.29 0.02 . 1 . . . A 71 ALA HB3 . 18328 1 614 . 1 1 71 71 ALA C C 13 180.8 0.3 . 1 . . . A 71 ALA C . 18328 1 615 . 1 1 71 71 ALA CA C 13 54.5 0.3 . 1 . . . A 71 ALA CA . 18328 1 616 . 1 1 71 71 ALA CB C 13 17.7 0.3 . 1 . . . A 71 ALA CB . 18328 1 617 . 1 1 71 71 ALA N N 15 118.6 0.3 . 1 . . . A 71 ALA N . 18328 1 618 . 1 1 72 72 GLU H H 1 7.18 0.02 . 1 . . . A 72 GLU H . 18328 1 619 . 1 1 72 72 GLU HA H 1 4.02 0.02 . 1 . . . A 72 GLU HA . 18328 1 620 . 1 1 72 72 GLU HB2 H 1 2.08 0.02 . 2 . . . A 72 GLU HB2 . 18328 1 621 . 1 1 72 72 GLU HB3 H 1 1.84 0.02 . 2 . . . A 72 GLU HB3 . 18328 1 622 . 1 1 72 72 GLU HG2 H 1 2.34 0.02 . 2 . . . A 72 GLU HG2 . 18328 1 623 . 1 1 72 72 GLU HG3 H 1 2.18 0.02 . 2 . . . A 72 GLU HG3 . 18328 1 624 . 1 1 72 72 GLU C C 13 179.7 0.3 . 1 . . . A 72 GLU C . 18328 1 625 . 1 1 72 72 GLU CA C 13 58.7 0.3 . 1 . . . A 72 GLU CA . 18328 1 626 . 1 1 72 72 GLU CB C 13 30.1 0.3 . 1 . . . A 72 GLU CB . 18328 1 627 . 1 1 72 72 GLU CG C 13 36.9 0.3 . 1 . . . A 72 GLU CG . 18328 1 628 . 1 1 72 72 GLU N N 15 118.7 0.3 . 1 . . . A 72 GLU N . 18328 1 629 . 1 1 73 73 ARG H H 1 8.85 0.02 . 1 . . . A 73 ARG H . 18328 1 630 . 1 1 73 73 ARG HA H 1 4.02 0.02 . 1 . . . A 73 ARG HA . 18328 1 631 . 1 1 73 73 ARG HB2 H 1 1.84 0.02 . 1 . . . A 73 ARG HB2 . 18328 1 632 . 1 1 73 73 ARG HG2 H 1 1.58 0.02 . 2 . . . A 73 ARG HG2 . 18328 1 633 . 1 1 73 73 ARG HG3 H 1 1.53 0.02 . 2 . . . A 73 ARG HG3 . 18328 1 634 . 1 1 73 73 ARG HD2 H 1 2.72 0.02 . 1 . . . A 73 ARG HD2 . 18328 1 635 . 1 1 73 73 ARG C C 13 178.2 0.3 . 1 . . . A 73 ARG C . 18328 1 636 . 1 1 73 73 ARG CA C 13 61.0 0.3 . 1 . . . A 73 ARG CA . 18328 1 637 . 1 1 73 73 ARG CB C 13 28.2 0.3 . 1 . . . A 73 ARG CB . 18328 1 638 . 1 1 73 73 ARG N N 15 119.1 0.3 . 1 . . . A 73 ARG N . 18328 1 639 . 1 1 74 74 ASP H H 1 7.70 0.02 . 1 . . . A 74 ASP H . 18328 1 640 . 1 1 74 74 ASP HA H 1 4.43 0.02 . 1 . . . A 74 ASP HA . 18328 1 641 . 1 1 74 74 ASP HB2 H 1 2.61 0.02 . 2 . . . A 74 ASP HB2 . 18328 1 642 . 1 1 74 74 ASP HB3 H 1 2.73 0.02 . 2 . . . A 74 ASP HB3 . 18328 1 643 . 1 1 74 74 ASP C C 13 178.9 0.3 . 1 . . . A 74 ASP C . 18328 1 644 . 1 1 74 74 ASP CA C 13 57.4 0.3 . 1 . . . A 74 ASP CA . 18328 1 645 . 1 1 74 74 ASP CB C 13 40.2 0.3 . 1 . . . A 74 ASP CB . 18328 1 646 . 1 1 74 74 ASP N N 15 117.9 0.3 . 1 . . . A 74 ASP N . 18328 1 647 . 1 1 75 75 GLU H H 1 7.20 0.02 . 1 . . . A 75 GLU H . 18328 1 648 . 1 1 75 75 GLU HA H 1 4.02 0.02 . 1 . . . A 75 GLU HA . 18328 1 649 . 1 1 75 75 GLU HB2 H 1 2.19 0.02 . 2 . . . A 75 GLU HB2 . 18328 1 650 . 1 1 75 75 GLU HB3 H 1 2.13 0.02 . 2 . . . A 75 GLU HB3 . 18328 1 651 . 1 1 75 75 GLU HG2 H 1 2.34 0.02 . 2 . . . A 75 GLU HG2 . 18328 1 652 . 1 1 75 75 GLU HG3 H 1 2.24 0.02 . 2 . . . A 75 GLU HG3 . 18328 1 653 . 1 1 75 75 GLU C C 13 179.4 0.3 . 1 . . . A 75 GLU C . 18328 1 654 . 1 1 75 75 GLU CA C 13 58.5 0.3 . 1 . . . A 75 GLU CA . 18328 1 655 . 1 1 75 75 GLU CB C 13 29.0 0.3 . 1 . . . A 75 GLU CB . 18328 1 656 . 1 1 75 75 GLU CG C 13 35.7 0.3 . 1 . . . A 75 GLU CG . 18328 1 657 . 1 1 75 75 GLU N N 15 119.3 0.3 . 1 . . . A 75 GLU N . 18328 1 658 . 1 1 76 76 ILE H H 1 8.36 0.02 . 1 . . . A 76 ILE H . 18328 1 659 . 1 1 76 76 ILE HA H 1 3.75 0.02 . 1 . . . A 76 ILE HA . 18328 1 660 . 1 1 76 76 ILE HB H 1 2.27 0.02 . 1 . . . A 76 ILE HB . 18328 1 661 . 1 1 76 76 ILE HG12 H 1 1.97 0.02 . 2 . . . A 76 ILE HG12 . 18328 1 662 . 1 1 76 76 ILE HG13 H 1 1.17 0.02 . 2 . . . A 76 ILE HG13 . 18328 1 663 . 1 1 76 76 ILE HG21 H 1 1.03 0.02 . 1 . . . A 76 ILE HG21 . 18328 1 664 . 1 1 76 76 ILE HG22 H 1 1.03 0.02 . 1 . . . A 76 ILE HG22 . 18328 1 665 . 1 1 76 76 ILE HG23 H 1 1.03 0.02 . 1 . . . A 76 ILE HG23 . 18328 1 666 . 1 1 76 76 ILE HD11 H 1 1.02 0.02 . 1 . . . A 76 ILE HD11 . 18328 1 667 . 1 1 76 76 ILE HD12 H 1 1.02 0.02 . 1 . . . A 76 ILE HD12 . 18328 1 668 . 1 1 76 76 ILE HD13 H 1 1.02 0.02 . 1 . . . A 76 ILE HD13 . 18328 1 669 . 1 1 76 76 ILE C C 13 178.8 0.3 . 1 . . . A 76 ILE C . 18328 1 670 . 1 1 76 76 ILE CA C 13 65.2 0.3 . 1 . . . A 76 ILE CA . 18328 1 671 . 1 1 76 76 ILE CB C 13 38.8 0.3 . 1 . . . A 76 ILE CB . 18328 1 672 . 1 1 76 76 ILE CG1 C 13 29.6 0.3 . 1 . . . A 76 ILE CG1 . 18328 1 673 . 1 1 76 76 ILE CG2 C 13 16.5 0.3 . 1 . . . A 76 ILE CG2 . 18328 1 674 . 1 1 76 76 ILE CD1 C 13 15.0 0.3 . 1 . . . A 76 ILE CD1 . 18328 1 675 . 1 1 76 76 ILE N N 15 122.8 0.3 . 1 . . . A 76 ILE N . 18328 1 676 . 1 1 77 77 LEU H H 1 8.59 0.02 . 1 . . . A 77 LEU H . 18328 1 677 . 1 1 77 77 LEU HA H 1 4.00 0.02 . 1 . . . A 77 LEU HA . 18328 1 678 . 1 1 77 77 LEU HB2 H 1 2.04 0.02 . 2 . . . A 77 LEU HB2 . 18328 1 679 . 1 1 77 77 LEU HB3 H 1 1.37 0.02 . 2 . . . A 77 LEU HB3 . 18328 1 680 . 1 1 77 77 LEU HG H 1 2.16 0.02 . 1 . . . A 77 LEU HG . 18328 1 681 . 1 1 77 77 LEU HD11 H 1 1.10 0.02 . 1 . . . A 77 LEU HD11 . 18328 1 682 . 1 1 77 77 LEU HD12 H 1 1.10 0.02 . 1 . . . A 77 LEU HD12 . 18328 1 683 . 1 1 77 77 LEU HD13 H 1 1.10 0.02 . 1 . . . A 77 LEU HD13 . 18328 1 684 . 1 1 77 77 LEU HD21 H 1 0.69 0.02 . 1 . . . A 77 LEU HD21 . 18328 1 685 . 1 1 77 77 LEU HD22 H 1 0.69 0.02 . 1 . . . A 77 LEU HD22 . 18328 1 686 . 1 1 77 77 LEU HD23 H 1 0.69 0.02 . 1 . . . A 77 LEU HD23 . 18328 1 687 . 1 1 77 77 LEU C C 13 180.1 0.3 . 1 . . . A 77 LEU C . 18328 1 688 . 1 1 77 77 LEU CA C 13 57.6 0.3 . 1 . . . A 77 LEU CA . 18328 1 689 . 1 1 77 77 LEU CB C 13 41.4 0.3 . 1 . . . A 77 LEU CB . 18328 1 690 . 1 1 77 77 LEU CG C 13 26.9 0.3 . 1 . . . A 77 LEU CG . 18328 1 691 . 1 1 77 77 LEU CD1 C 13 25.3 0.3 . 1 . . . A 77 LEU CD1 . 18328 1 692 . 1 1 77 77 LEU CD2 C 13 22.3 0.3 . 1 . . . A 77 LEU CD2 . 18328 1 693 . 1 1 77 77 LEU N N 15 118.2 0.3 . 1 . . . A 77 LEU N . 18328 1 694 . 1 1 78 78 ARG H H 1 7.91 0.02 . 1 . . . A 78 ARG H . 18328 1 695 . 1 1 78 78 ARG HA H 1 3.97 0.02 . 1 . . . A 78 ARG HA . 18328 1 696 . 1 1 78 78 ARG HB2 H 1 1.88 0.02 . 2 . . . A 78 ARG HB2 . 18328 1 697 . 1 1 78 78 ARG HB3 H 1 1.81 0.02 . 2 . . . A 78 ARG HB3 . 18328 1 698 . 1 1 78 78 ARG HG2 H 1 1.72 0.02 . 2 . . . A 78 ARG HG2 . 18328 1 699 . 1 1 78 78 ARG HG3 H 1 1.54 0.02 . 2 . . . A 78 ARG HG3 . 18328 1 700 . 1 1 78 78 ARG HD2 H 1 3.14 0.02 . 2 . . . A 78 ARG HD2 . 18328 1 701 . 1 1 78 78 ARG HD3 H 1 3.11 0.02 . 2 . . . A 78 ARG HD3 . 18328 1 702 . 1 1 78 78 ARG C C 13 178.7 0.3 . 1 . . . A 78 ARG C . 18328 1 703 . 1 1 78 78 ARG CA C 13 58.8 0.3 . 1 . . . A 78 ARG CA . 18328 1 704 . 1 1 78 78 ARG CB C 13 29.9 0.3 . 1 . . . A 78 ARG CB . 18328 1 705 . 1 1 78 78 ARG CG C 13 27.4 0.3 . 1 . . . A 78 ARG CG . 18328 1 706 . 1 1 78 78 ARG CD C 13 43.1 0.3 . 1 . . . A 78 ARG CD . 18328 1 707 . 1 1 78 78 ARG N N 15 119.4 0.3 . 1 . . . A 78 ARG N . 18328 1 708 . 1 1 79 79 ALA H H 1 7.66 0.02 . 1 . . . A 79 ALA H . 18328 1 709 . 1 1 79 79 ALA HA H 1 4.10 0.02 . 1 . . . A 79 ALA HA . 18328 1 710 . 1 1 79 79 ALA HB1 H 1 1.45 0.02 . 1 . . . A 79 ALA HB1 . 18328 1 711 . 1 1 79 79 ALA HB2 H 1 1.45 0.02 . 1 . . . A 79 ALA HB2 . 18328 1 712 . 1 1 79 79 ALA HB3 H 1 1.45 0.02 . 1 . . . A 79 ALA HB3 . 18328 1 713 . 1 1 79 79 ALA C C 13 179.4 0.3 . 1 . . . A 79 ALA C . 18328 1 714 . 1 1 79 79 ALA CA C 13 53.6 0.3 . 1 . . . A 79 ALA CA . 18328 1 715 . 1 1 79 79 ALA CB C 13 18.2 0.3 . 1 . . . A 79 ALA CB . 18328 1 716 . 1 1 79 79 ALA N N 15 120.1 0.3 . 1 . . . A 79 ALA N . 18328 1 717 . 1 1 80 80 VAL H H 1 7.49 0.02 . 1 . . . A 80 VAL H . 18328 1 718 . 1 1 80 80 VAL HA H 1 3.90 0.02 . 1 . . . A 80 VAL HA . 18328 1 719 . 1 1 80 80 VAL HB H 1 2.19 0.02 . 1 . . . A 80 VAL HB . 18328 1 720 . 1 1 80 80 VAL HG11 H 1 1.00 0.02 . 1 . . . A 80 VAL HG11 . 18328 1 721 . 1 1 80 80 VAL HG12 H 1 1.00 0.02 . 1 . . . A 80 VAL HG12 . 18328 1 722 . 1 1 80 80 VAL HG13 H 1 1.00 0.02 . 1 . . . A 80 VAL HG13 . 18328 1 723 . 1 1 80 80 VAL HG21 H 1 0.91 0.02 . 1 . . . A 80 VAL HG21 . 18328 1 724 . 1 1 80 80 VAL HG22 H 1 0.91 0.02 . 1 . . . A 80 VAL HG22 . 18328 1 725 . 1 1 80 80 VAL HG23 H 1 0.91 0.02 . 1 . . . A 80 VAL HG23 . 18328 1 726 . 1 1 80 80 VAL C C 13 177.1 0.3 . 1 . . . A 80 VAL C . 18328 1 727 . 1 1 80 80 VAL CA C 13 63.7 0.3 . 1 . . . A 80 VAL CA . 18328 1 728 . 1 1 80 80 VAL CB C 13 31.5 0.3 . 1 . . . A 80 VAL CB . 18328 1 729 . 1 1 80 80 VAL CG1 C 13 20.9 0.3 . 1 . . . A 80 VAL CG1 . 18328 1 730 . 1 1 80 80 VAL CG2 C 13 21.4 0.3 . 1 . . . A 80 VAL CG2 . 18328 1 731 . 1 1 80 80 VAL N N 15 115.4 0.3 . 1 . . . A 80 VAL N . 18328 1 732 . 1 1 81 81 GLY H H 1 7.45 0.02 . 1 . . . A 81 GLY H . 18328 1 733 . 1 1 81 81 GLY HA2 H 1 3.42 0.02 . 2 . . . A 81 GLY HA2 . 18328 1 734 . 1 1 81 81 GLY HA3 H 1 4.11 0.02 . 2 . . . A 81 GLY HA3 . 18328 1 735 . 1 1 81 81 GLY C C 13 173.3 0.3 . 1 . . . A 81 GLY C . 18328 1 736 . 1 1 81 81 GLY CA C 13 45.3 0.3 . 1 . . . A 81 GLY CA . 18328 1 737 . 1 1 81 81 GLY N N 15 107.5 0.3 . 1 . . . A 81 GLY N . 18328 1 738 . 1 1 82 82 ASN H H 1 7.86 0.02 . 1 . . . A 82 ASN H . 18328 1 739 . 1 1 82 82 ASN HA H 1 4.39 0.02 . 1 . . . A 82 ASN HA . 18328 1 740 . 1 1 82 82 ASN HB2 H 1 2.55 0.02 . 2 . . . A 82 ASN HB2 . 18328 1 741 . 1 1 82 82 ASN HB3 H 1 2.49 0.02 . 2 . . . A 82 ASN HB3 . 18328 1 742 . 1 1 82 82 ASN HD21 H 1 7.34 0.02 . 1 . . . A 82 ASN HD21 . 18328 1 743 . 1 1 82 82 ASN HD22 H 1 6.72 0.02 . 1 . . . A 82 ASN HD22 . 18328 1 744 . 1 1 82 82 ASN C C 13 174.3 0.3 . 1 . . . A 82 ASN C . 18328 1 745 . 1 1 82 82 ASN CA C 13 52.1 0.3 . 1 . . . A 82 ASN CA . 18328 1 746 . 1 1 82 82 ASN CB C 13 39.0 0.3 . 1 . . . A 82 ASN CB . 18328 1 747 . 1 1 82 82 ASN N N 15 120.4 0.3 . 1 . . . A 82 ASN N . 18328 1 748 . 1 1 82 82 ASN ND2 N 15 112.7 0.3 . 1 . . . A 82 ASN ND2 . 18328 1 749 . 1 1 83 83 MET H H 1 8.37 0.02 . 1 . . . A 83 MET H . 18328 1 750 . 1 1 83 83 MET HA H 1 4.34 0.02 . 1 . . . A 83 MET HA . 18328 1 751 . 1 1 83 83 MET HB2 H 1 1.74 0.02 . 1 . . . A 83 MET HB2 . 18328 1 752 . 1 1 83 83 MET HG2 H 1 2.33 0.02 . 1 . . . A 83 MET HG2 . 18328 1 753 . 1 1 83 83 MET HE1 H 1 1.62 0.02 . 1 . . . A 83 MET HE1 . 18328 1 754 . 1 1 83 83 MET HE2 H 1 1.62 0.02 . 1 . . . A 83 MET HE2 . 18328 1 755 . 1 1 83 83 MET HE3 H 1 1.62 0.02 . 1 . . . A 83 MET HE3 . 18328 1 756 . 1 1 83 83 MET C C 13 176.5 0.3 . 1 . . . A 83 MET C . 18328 1 757 . 1 1 83 83 MET CA C 13 52.5 0.3 . 1 . . . A 83 MET CA . 18328 1 758 . 1 1 83 83 MET CB C 13 30.9 0.3 . 1 . . . A 83 MET CB . 18328 1 759 . 1 1 83 83 MET CG C 13 32.0 0.3 . 1 . . . A 83 MET CG . 18328 1 760 . 1 1 83 83 MET CE C 13 15.7 0.3 . 1 . . . A 83 MET CE . 18328 1 761 . 1 1 83 83 MET N N 15 121.8 0.3 . 1 . . . A 83 MET N . 18328 1 762 . 1 1 84 84 PRO HA H 1 4.15 0.02 . 1 . . . A 84 PRO HA . 18328 1 763 . 1 1 84 84 PRO HB2 H 1 1.72 0.02 . 2 . . . A 84 PRO HB2 . 18328 1 764 . 1 1 84 84 PRO HB3 H 1 1.45 0.02 . 2 . . . A 84 PRO HB3 . 18328 1 765 . 1 1 84 84 PRO HG2 H 1 0.68 0.02 . 2 . . . A 84 PRO HG2 . 18328 1 766 . 1 1 84 84 PRO HG3 H 1 0.77 0.02 . 2 . . . A 84 PRO HG3 . 18328 1 767 . 1 1 84 84 PRO HD2 H 1 2.96 0.02 . 2 . . . A 84 PRO HD2 . 18328 1 768 . 1 1 84 84 PRO HD3 H 1 3.42 0.02 . 2 . . . A 84 PRO HD3 . 18328 1 769 . 1 1 84 84 PRO CA C 13 62.8 0.3 . 1 . . . A 84 PRO CA . 18328 1 770 . 1 1 84 84 PRO CB C 13 31.0 0.3 . 1 . . . A 84 PRO CB . 18328 1 771 . 1 1 84 84 PRO CG C 13 25.4 0.3 . 1 . . . A 84 PRO CG . 18328 1 772 . 1 1 84 84 PRO CD C 13 50.0 0.3 . 1 . . . A 84 PRO CD . 18328 1 773 . 1 1 85 85 TYR H H 1 6.40 0.02 . 1 . . . A 85 TYR H . 18328 1 774 . 1 1 85 85 TYR HA H 1 4.13 0.02 . 1 . . . A 85 TYR HA . 18328 1 775 . 1 1 85 85 TYR HB2 H 1 2.91 0.02 . 2 . . . A 85 TYR HB2 . 18328 1 776 . 1 1 85 85 TYR HB3 H 1 2.57 0.02 . 2 . . . A 85 TYR HB3 . 18328 1 777 . 1 1 85 85 TYR C C 13 179.1 0.3 . 1 . . . A 85 TYR C . 18328 1 778 . 1 1 85 85 TYR CA C 13 56.5 0.3 . 1 . . . A 85 TYR CA . 18328 1 779 . 1 1 85 85 TYR CB C 13 38.9 0.3 . 1 . . . A 85 TYR CB . 18328 1 780 . 1 1 85 85 TYR N N 15 119.8 0.3 . 1 . . . A 85 TYR N . 18328 1 stop_ save_