data_6374 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6374 _Entry.Title ; NMR STRUCTURE OF THE FIRST PHD FINGER OF AUTOIMMUNE REGULATOR PROTEIN (AIRE1): INSIGHTS INTO APECED ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-11-01 _Entry.Accession_date 2004-11-01 _Entry.Last_release_date 2005-02-10 _Entry.Original_release_date 2005-02-10 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Matthew Bottomley . . . 6374 2 Gunter Stier . . . 6374 3 Julya Krasotkina . . . 6374 4 Gaelle Legube . . . 6374 5 Bernd Simon . . . 6374 6 Asifa Akhtar . . . 6374 7 Michael Sattler . . . 6374 8 Giovanna Musco . . . 6374 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 6374 RDCs 1 6374 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 201 6374 '15N chemical shifts' 61 6374 '1H chemical shifts' 649 6374 'residual dipolar couplings' 42 6374 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2005-02-10 2004-11-01 original author . 6374 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1XWH 'BMRB Entry Tracking System' 6374 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6374 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15649886 _Citation.Full_citation . _Citation.Title ; NMR structure of the first PHD finger of autoimmune regulator protein (AIRE1). Insights into autoimmune polyendocrinopathy-candidiasis-ectodermal dystrophy (APECED) disease ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 280 _Citation.Journal_issue 12 _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 11505 _Citation.Page_last 11512 _Citation.Year 2005 _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 Matthew Bottomley . J. . 6374 1 2 Gunter Stier . . . 6374 1 3 D. Pennacchini . . . 6374 1 4 Gaelle Legube . . . 6374 1 5 Bernd Simon . . . 6374 1 6 Asifa Akhtar . . . 6374 1 7 Michael Sattler . . . 6374 1 8 Giovanna Musco . . . 6374 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Aire1 6374 1 'autoimmune polyendocrinopathy ectodermal dystrophy' 6374 1 'PHD finger' 6374 1 'Zn binding domain' 6374 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_AIRE-PHD _Assembly.Sf_category assembly _Assembly.Sf_framecode system_AIRE-PHD _Assembly.Entry_ID 6374 _Assembly.ID 1 _Assembly.Name AIRE1-PHD1 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'other bound and free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6374 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'AIRE1-PHD1 monomer' 1 $AIRE1-PHD1 . . . native . . . . . 6374 1 2 'ZINC (II) ION, 1' 2 $ZN . . . native . . . . . 6374 1 3 'ZINC (II) ION, 2' 2 $ZN . . . native . . . . . 6374 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 coordination single . 1 . 1 CYS 11 11 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 6374 1 2 coordination single . 1 . 1 CYS 14 14 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 6374 1 3 coordination single . 1 . 1 HIS 31 31 NE2 . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 6374 1 4 coordination single . 1 . 1 CYS 34 34 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 6374 1 5 coordination single . 1 . 1 CYS 23 23 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 6374 1 6 coordination single . 1 . 1 CYS 26 26 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 6374 1 7 coordination single . 1 . 1 CYS 49 49 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 6374 1 8 coordination single . 1 . 1 CYS 52 52 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 6374 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID AIRE1-PHD1 system 6374 1 AIRE-PHD abbreviation 6374 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'protein-protein interaction motif' 6374 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_AIRE1-PHD1 _Entity.Sf_category entity _Entity.Sf_framecode AIRE1-PHD1 _Entity.Entry_ID 6374 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'first PHD finger of AIRE1' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAMAQKNEDECAVCRDGGEL ICCDGCPRAFHLACLSPPLR EIPSGTWRCSSCLQATVQEV QPRAEE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 66 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'other bound and free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7138 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'The first 4 aminoacids (GAMA) do not belong to the natural sequence.' _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 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 1XWH . 'Nmr Structure Of The First Phd Finger Of Autoimmune Regulator Protein (Aire1): Insights Into Apeced' . . . . . 100.00 66 100.00 100.00 1.68e-30 . . . . 6374 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID AIRE1-PHD1 abbreviation 6374 1 'first PHD finger of AIRE1' common 6374 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 6374 1 2 . ALA . 6374 1 3 . MET . 6374 1 4 . ALA . 6374 1 5 . GLN . 6374 1 6 . LYS . 6374 1 7 . ASN . 6374 1 8 . GLU . 6374 1 9 . ASP . 6374 1 10 . GLU . 6374 1 11 . CYS . 6374 1 12 . ALA . 6374 1 13 . VAL . 6374 1 14 . CYS . 6374 1 15 . ARG . 6374 1 16 . ASP . 6374 1 17 . GLY . 6374 1 18 . GLY . 6374 1 19 . GLU . 6374 1 20 . LEU . 6374 1 21 . ILE . 6374 1 22 . CYS . 6374 1 23 . CYS . 6374 1 24 . ASP . 6374 1 25 . GLY . 6374 1 26 . CYS . 6374 1 27 . PRO . 6374 1 28 . ARG . 6374 1 29 . ALA . 6374 1 30 . PHE . 6374 1 31 . HIS . 6374 1 32 . LEU . 6374 1 33 . ALA . 6374 1 34 . CYS . 6374 1 35 . LEU . 6374 1 36 . SER . 6374 1 37 . PRO . 6374 1 38 . PRO . 6374 1 39 . LEU . 6374 1 40 . ARG . 6374 1 41 . GLU . 6374 1 42 . ILE . 6374 1 43 . PRO . 6374 1 44 . SER . 6374 1 45 . GLY . 6374 1 46 . THR . 6374 1 47 . TRP . 6374 1 48 . ARG . 6374 1 49 . CYS . 6374 1 50 . SER . 6374 1 51 . SER . 6374 1 52 . CYS . 6374 1 53 . LEU . 6374 1 54 . GLN . 6374 1 55 . ALA . 6374 1 56 . THR . 6374 1 57 . VAL . 6374 1 58 . GLN . 6374 1 59 . GLU . 6374 1 60 . VAL . 6374 1 61 . GLN . 6374 1 62 . PRO . 6374 1 63 . ARG . 6374 1 64 . ALA . 6374 1 65 . GLU . 6374 1 66 . GLU . 6374 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 6374 1 . ALA 2 2 6374 1 . MET 3 3 6374 1 . ALA 4 4 6374 1 . GLN 5 5 6374 1 . LYS 6 6 6374 1 . ASN 7 7 6374 1 . GLU 8 8 6374 1 . ASP 9 9 6374 1 . GLU 10 10 6374 1 . CYS 11 11 6374 1 . ALA 12 12 6374 1 . VAL 13 13 6374 1 . CYS 14 14 6374 1 . ARG 15 15 6374 1 . ASP 16 16 6374 1 . GLY 17 17 6374 1 . GLY 18 18 6374 1 . GLU 19 19 6374 1 . LEU 20 20 6374 1 . ILE 21 21 6374 1 . CYS 22 22 6374 1 . CYS 23 23 6374 1 . ASP 24 24 6374 1 . GLY 25 25 6374 1 . CYS 26 26 6374 1 . PRO 27 27 6374 1 . ARG 28 28 6374 1 . ALA 29 29 6374 1 . PHE 30 30 6374 1 . HIS 31 31 6374 1 . LEU 32 32 6374 1 . ALA 33 33 6374 1 . CYS 34 34 6374 1 . LEU 35 35 6374 1 . SER 36 36 6374 1 . PRO 37 37 6374 1 . PRO 38 38 6374 1 . LEU 39 39 6374 1 . ARG 40 40 6374 1 . GLU 41 41 6374 1 . ILE 42 42 6374 1 . PRO 43 43 6374 1 . SER 44 44 6374 1 . GLY 45 45 6374 1 . THR 46 46 6374 1 . TRP 47 47 6374 1 . ARG 48 48 6374 1 . CYS 49 49 6374 1 . SER 50 50 6374 1 . SER 51 51 6374 1 . CYS 52 52 6374 1 . LEU 53 53 6374 1 . GLN 54 54 6374 1 . ALA 55 55 6374 1 . THR 56 56 6374 1 . VAL 57 57 6374 1 . GLN 58 58 6374 1 . GLU 59 59 6374 1 . VAL 60 60 6374 1 . GLN 61 61 6374 1 . PRO 62 62 6374 1 . ARG 63 63 6374 1 . ALA 64 64 6374 1 . GLU 65 65 6374 1 . GLU 66 66 6374 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 6374 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . ZN . 6374 2 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 6374 _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 $AIRE1-PHD1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6374 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 6374 _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 $AIRE1-PHD1 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli 'BL21 (DE3)' . . . . . . . . . . . . . . . . . . . . . . 6374 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 6374 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 10 14:23:33 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 6374 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 6374 ZN [Zn++] SMILES CACTVS 3.341 6374 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 6374 ZN [Zn+2] SMILES ACDLabs 10.04 6374 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 6374 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 6374 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 6374 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 6374 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 6374 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6374 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'first PHD finger of AIRE1' '[U-13C; U-15N]' . . 1 $AIRE1-PHD1 . . 1 0.5 1 mM . . . . 6374 1 2 NaCl . . . . . . . 150 . . mM . . . . 6374 1 3 phosphate . . . . . . . 20 . . mM . . . . 6374 1 4 DTT . . . . . . . 5 . . mM . . . . 6374 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 6374 _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' 0.15 0.02 M 6374 1 pH* 6.3 0.1 n/a 6374 1 temperature 295 1 K 6374 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 6374 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 6374 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6374 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker DRX . 500 . . . 6374 1 2 NMR_spectrometer_2 Bruker DRX . 600 . . . 6374 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 6374 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCA' . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6374 1 2 CBCA(CO)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6374 1 3 CBCANH . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6374 1 4 '3D HCCONH-TOCSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6374 1 5 CCONH-TOCSY . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6374 1 6 HCCH-TOCSY . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6374 1 7 '2D 1H-15N HMQC' . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6374 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6374 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D HNCA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6374 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6374 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CBCANH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6374 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D HCCONH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6374 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name CCONH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6374 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6374 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '2D 1H-15N HMQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6374 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6374 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6374 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6374 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6374 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 6374 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 2 2 ALA CA C 13 49.45 0.5 . . . . . . . . . . 6374 1 2 . 1 1 2 2 ALA HA H 1 4.236 0.03 . . . . . . . . . . 6374 1 3 . 1 1 2 2 ALA HB1 H 1 1.303 0.03 . . . . . . . . . . 6374 1 4 . 1 1 2 2 ALA HB2 H 1 1.303 0.03 . . . . . . . . . . 6374 1 5 . 1 1 2 2 ALA HB3 H 1 1.303 0.03 . . . . . . . . . . 6374 1 6 . 1 1 2 2 ALA CB C 13 16.835 0.5 . . . . . . . . . . 6374 1 7 . 1 1 3 3 MET CA C 13 52.556 0.5 . . . . . . . . . . 6374 1 8 . 1 1 3 3 MET HA H 1 4.398 0.03 . . . . . . . . . . 6374 1 9 . 1 1 3 3 MET CB C 13 29.777 0.5 . . . . . . . . . . 6374 1 10 . 1 1 3 3 MET HB2 H 1 1.975 0.03 . . . . . . . . . . 6374 1 11 . 1 1 3 3 MET HB3 H 1 1.931 0.03 . . . . . . . . . . 6374 1 12 . 1 1 3 3 MET CG C 13 29.259 0.5 . . . . . . . . . . 6374 1 13 . 1 1 3 3 MET HG2 H 1 2.511 0.03 . . . . . . . . . . 6374 1 14 . 1 1 3 3 MET HG3 H 1 2.491 0.03 . . . . . . . . . . 6374 1 15 . 1 1 4 4 ALA CA C 13 49.967 0.5 . . . . . . . . . . 6374 1 16 . 1 1 4 4 ALA HA H 1 4.234 0.03 . . . . . . . . . . 6374 1 17 . 1 1 4 4 ALA HB1 H 1 1.31 0.03 . . . . . . . . . . 6374 1 18 . 1 1 4 4 ALA HB2 H 1 1.31 0.03 . . . . . . . . . . 6374 1 19 . 1 1 4 4 ALA HB3 H 1 1.31 0.03 . . . . . . . . . . 6374 1 20 . 1 1 4 4 ALA CB C 13 16.317 0.5 . . . . . . . . . . 6374 1 21 . 1 1 5 5 GLN CA C 13 53.073 0.5 . . . . . . . . . . 6374 1 22 . 1 1 5 5 GLN HA H 1 4.217 0.03 . . . . . . . . . . 6374 1 23 . 1 1 5 5 GLN CB C 13 27.189 0.5 . . . . . . . . . . 6374 1 24 . 1 1 5 5 GLN HB2 H 1 1.985 0.03 . . . . . . . . . . 6374 1 25 . 1 1 5 5 GLN HB3 H 1 1.857 0.03 . . . . . . . . . . 6374 1 26 . 1 1 5 5 GLN CG C 13 30.812 0.5 . . . . . . . . . . 6374 1 27 . 1 1 5 5 GLN HG2 H 1 2.257 0.03 . . . . . . . . . . 6374 1 28 . 1 1 6 6 LYS CA C 13 53.591 0.5 . . . . . . . . . . 6374 1 29 . 1 1 6 6 LYS HA H 1 4.229 0.03 . . . . . . . . . . 6374 1 30 . 1 1 6 6 LYS CB C 13 30.295 0.5 . . . . . . . . . . 6374 1 31 . 1 1 6 6 LYS HB2 H 1 1.702 0.03 . . . . . . . . . . 6374 1 32 . 1 1 6 6 LYS CG C 13 21.494 0.5 . . . . . . . . . . 6374 1 33 . 1 1 6 6 LYS HG2 H 1 1.32 0.03 . . . . . . . . . . 6374 1 34 . 1 1 6 6 LYS CD C 13 26.153 0.5 . . . . . . . . . . 6374 1 35 . 1 1 6 6 LYS HD2 H 1 1.604 0.03 . . . . . . . . . . 6374 1 36 . 1 1 6 6 LYS CE C 13 39.613 0.5 . . . . . . . . . . 6374 1 37 . 1 1 6 6 LYS HE2 H 1 2.908 0.03 . . . . . . . . . . 6374 1 38 . 1 1 7 7 ASN CA C 13 51.003 0.5 . . . . . . . . . . 6374 1 39 . 1 1 7 7 ASN HA H 1 4.881 0.03 . . . . . . . . . . 6374 1 40 . 1 1 7 7 ASN CB C 13 38.578 0.5 . . . . . . . . . . 6374 1 41 . 1 1 7 7 ASN HB2 H 1 2.688 0.03 . . . . . . . . . . 6374 1 42 . 1 1 7 7 ASN HB3 H 1 2.533 0.03 . . . . . . . . . . 6374 1 43 . 1 1 8 8 GLU CA C 13 54.109 0.5 . . . . . . . . . . 6374 1 44 . 1 1 8 8 GLU HA H 1 4.056 0.03 . . . . . . . . . . 6374 1 45 . 1 1 8 8 GLU CB C 13 28.224 0.5 . . . . . . . . . . 6374 1 46 . 1 1 8 8 GLU HB2 H 1 1.99 0.03 . . . . . . . . . . 6374 1 47 . 1 1 8 8 GLU CG C 13 33.919 0.5 . . . . . . . . . . 6374 1 48 . 1 1 8 8 GLU HG2 H 1 2.122 0.03 . . . . . . . . . . 6374 1 49 . 1 1 9 9 ASP CA C 13 51.003 0.5 . . . . . . . . . . 6374 1 50 . 1 1 9 9 ASP HA H 1 4.399 0.03 . . . . . . . . . . 6374 1 51 . 1 1 9 9 ASP CB C 13 38.578 0.5 . . . . . . . . . . 6374 1 52 . 1 1 9 9 ASP HB2 H 1 2.464 0.03 . . . . . . . . . . 6374 1 53 . 1 1 10 10 GLU CA C 13 51.003 0.5 . . . . . . . . . . 6374 1 54 . 1 1 10 10 GLU HA H 1 4.026 0.03 . . . . . . . . . . 6374 1 55 . 1 1 10 10 GLU CB C 13 30.294 0.5 . . . . . . . . . . 6374 1 56 . 1 1 10 10 GLU HB2 H 1 1.416 0.03 . . . . . . . . . . 6374 1 57 . 1 1 10 10 GLU CG C 13 32.366 0.5 . . . . . . . . . . 6374 1 58 . 1 1 10 10 GLU HG2 H 1 1.853 0.03 . . . . . . . . . . 6374 1 59 . 1 1 10 10 GLU HG3 H 1 1.78 0.03 . . . . . . . . . . 6374 1 60 . 1 1 11 11 CYS CA C 13 55.144 0.5 . . . . . . . . . . 6374 1 61 . 1 1 11 11 CYS HA H 1 3.956 0.03 . . . . . . . . . . 6374 1 62 . 1 1 11 11 CYS CB C 13 27.706 0.5 . . . . . . . . . . 6374 1 63 . 1 1 11 11 CYS HB2 H 1 3.274 0.03 . . . . . . . . . . 6374 1 64 . 1 1 11 11 CYS HB3 H 1 1.959 0.03 . . . . . . . . . . 6374 1 65 . 1 1 12 12 ALA CA C 13 52.038 0.5 . . . . . . . . . . 6374 1 66 . 1 1 12 12 ALA HA H 1 3.914 0.03 . . . . . . . . . . 6374 1 67 . 1 1 12 12 ALA HB1 H 1 1.163 0.03 . . . . . . . . . . 6374 1 68 . 1 1 12 12 ALA HB2 H 1 1.163 0.03 . . . . . . . . . . 6374 1 69 . 1 1 12 12 ALA HB3 H 1 1.163 0.03 . . . . . . . . . . 6374 1 70 . 1 1 12 12 ALA CB C 13 15.799 0.5 . . . . . . . . . . 6374 1 71 . 1 1 13 13 VAL CA C 13 62.392 0.5 . . . . . . . . . . 6374 1 72 . 1 1 13 13 VAL HA H 1 4.01 0.03 . . . . . . . . . . 6374 1 73 . 1 1 13 13 VAL CB C 13 30.812 0.5 . . . . . . . . . . 6374 1 74 . 1 1 13 13 VAL HB H 1 2.284 0.03 . . . . . . . . . . 6374 1 75 . 1 1 13 13 VAL HG11 H 1 1.051 0.03 . . . . . . . . . . 6374 1 76 . 1 1 13 13 VAL HG12 H 1 1.051 0.03 . . . . . . . . . . 6374 1 77 . 1 1 13 13 VAL HG13 H 1 1.051 0.03 . . . . . . . . . . 6374 1 78 . 1 1 13 13 VAL HG21 H 1 1.257 0.03 . . . . . . . . . . 6374 1 79 . 1 1 13 13 VAL HG22 H 1 1.257 0.03 . . . . . . . . . . 6374 1 80 . 1 1 13 13 VAL HG23 H 1 1.257 0.03 . . . . . . . . . . 6374 1 81 . 1 1 13 13 VAL CG1 C 13 17.87 0.5 . . . . . . . . . . 6374 1 82 . 1 1 13 13 VAL CG2 C 13 18.905 0.5 . . . . . . . . . . 6374 1 83 . 1 1 14 14 CYS CA C 13 56.697 0.5 . . . . . . . . . . 6374 1 84 . 1 1 14 14 CYS HA H 1 4.835 0.03 . . . . . . . . . . 6374 1 85 . 1 1 14 14 CYS CB C 13 28.742 0.5 . . . . . . . . . . 6374 1 86 . 1 1 14 14 CYS HB2 H 1 3.268 0.03 . . . . . . . . . . 6374 1 87 . 1 1 14 14 CYS HB3 H 1 2.863 0.03 . . . . . . . . . . 6374 1 88 . 1 1 15 15 ARG CA C 13 55.144 0.5 . . . . . . . . . . 6374 1 89 . 1 1 15 15 ARG HA H 1 4.006 0.03 . . . . . . . . . . 6374 1 90 . 1 1 15 15 ARG CB C 13 23.047 0.5 . . . . . . . . . . 6374 1 91 . 1 1 15 15 ARG HB2 H 1 2.103 0.03 . . . . . . . . . . 6374 1 92 . 1 1 15 15 ARG HB3 H 1 2.002 0.03 . . . . . . . . . . 6374 1 93 . 1 1 15 15 ARG CG C 13 23.565 0.5 . . . . . . . . . . 6374 1 94 . 1 1 15 15 ARG HG2 H 1 1.561 0.03 . . . . . . . . . . 6374 1 95 . 1 1 15 15 ARG HG3 H 1 1.341 0.03 . . . . . . . . . . 6374 1 96 . 1 1 15 15 ARG CD C 13 40.131 0.5 . . . . . . . . . . 6374 1 97 . 1 1 15 15 ARG HD2 H 1 3.08 0.03 . . . . . . . . . . 6374 1 98 . 1 1 16 16 ASP CA C 13 50.485 0.5 . . . . . . . . . . 6374 1 99 . 1 1 16 16 ASP HA H 1 5.182 0.03 . . . . . . . . . . 6374 1 100 . 1 1 16 16 ASP CB C 13 40.649 0.5 . . . . . . . . . . 6374 1 101 . 1 1 16 16 ASP HB2 H 1 2.908 0.03 . . . . . . . . . . 6374 1 102 . 1 1 16 16 ASP HB3 H 1 2.843 0.03 . . . . . . . . . . 6374 1 103 . 1 1 17 17 GLY CA C 13 41.684 0.5 . . . . . . . . . . 6374 1 104 . 1 1 17 17 GLY HA2 H 1 4.373 0.03 . . . . . . . . . . 6374 1 105 . 1 1 17 17 GLY HA3 H 1 3.775 0.03 . . . . . . . . . . 6374 1 106 . 1 1 18 18 GLY CA C 13 41.684 0.5 . . . . . . . . . . 6374 1 107 . 1 1 18 18 GLY HA2 H 1 4.49 0.03 . . . . . . . . . . 6374 1 108 . 1 1 18 18 GLY HA3 H 1 3.558 0.03 . . . . . . . . . . 6374 1 109 . 1 1 19 19 GLU CA C 13 54.109 0.5 . . . . . . . . . . 6374 1 110 . 1 1 19 19 GLU HA H 1 4.184 0.03 . . . . . . . . . . 6374 1 111 . 1 1 19 19 GLU CB C 13 26.671 0.5 . . . . . . . . . . 6374 1 112 . 1 1 19 19 GLU HB2 H 1 2.008 0.03 . . . . . . . . . . 6374 1 113 . 1 1 19 19 GLU CG C 13 33.401 0.5 . . . . . . . . . . 6374 1 114 . 1 1 19 19 GLU HG2 H 1 2.145 0.03 . . . . . . . . . . 6374 1 115 . 1 1 20 20 LEU CA C 13 50.485 0.5 . . . . . . . . . . 6374 1 116 . 1 1 20 20 LEU HA H 1 4.658 0.03 . . . . . . . . . . 6374 1 117 . 1 1 20 20 LEU CB C 13 41.684 0.5 . . . . . . . . . . 6374 1 118 . 1 1 20 20 LEU HB2 H 1 1.312 0.03 . . . . . . . . . . 6374 1 119 . 1 1 20 20 LEU HB3 H 1 0.962 0.03 . . . . . . . . . . 6374 1 120 . 1 1 20 20 LEU CG C 13 23.047 0.5 . . . . . . . . . . 6374 1 121 . 1 1 20 20 LEU HG H 1 1.123 0.03 . . . . . . . . . . 6374 1 122 . 1 1 20 20 LEU HD11 H 1 0.254 0.03 . . . . . . . . . . 6374 1 123 . 1 1 20 20 LEU HD12 H 1 0.254 0.03 . . . . . . . . . . 6374 1 124 . 1 1 20 20 LEU HD13 H 1 0.254 0.03 . . . . . . . . . . 6374 1 125 . 1 1 20 20 LEU HD21 H 1 -0.27 0.03 . . . . . . . . . . 6374 1 126 . 1 1 20 20 LEU HD22 H 1 -0.27 0.03 . . . . . . . . . . 6374 1 127 . 1 1 20 20 LEU HD23 H 1 -0.27 0.03 . . . . . . . . . . 6374 1 128 . 1 1 20 20 LEU CD1 C 13 23.047 0.5 . . . . . . . . . . 6374 1 129 . 1 1 20 20 LEU CD2 C 13 19.423 0.5 . . . . . . . . . . 6374 1 130 . 1 1 21 21 ILE CA C 13 56.697 0.5 . . . . . . . . . . 6374 1 131 . 1 1 21 21 ILE HA H 1 4.44 0.03 . . . . . . . . . . 6374 1 132 . 1 1 21 21 ILE CB C 13 37.025 0.5 . . . . . . . . . . 6374 1 133 . 1 1 21 21 ILE HB H 1 1.343 0.03 . . . . . . . . . . 6374 1 134 . 1 1 21 21 ILE HG21 H 1 0.358 0.03 . . . . . . . . . . 6374 1 135 . 1 1 21 21 ILE HG22 H 1 0.358 0.03 . . . . . . . . . . 6374 1 136 . 1 1 21 21 ILE HG23 H 1 0.358 0.03 . . . . . . . . . . 6374 1 137 . 1 1 21 21 ILE CG2 C 13 13.728 0.5 . . . . . . . . . . 6374 1 138 . 1 1 21 21 ILE CG1 C 13 24.6 0.5 . . . . . . . . . . 6374 1 139 . 1 1 21 21 ILE HG12 H 1 1.106 0.03 . . . . . . . . . . 6374 1 140 . 1 1 21 21 ILE HG13 H 1 0.641 0.03 . . . . . . . . . . 6374 1 141 . 1 1 21 21 ILE HD11 H 1 -0.231 0.03 . . . . . . . . . . 6374 1 142 . 1 1 21 21 ILE HD12 H 1 -0.231 0.03 . . . . . . . . . . 6374 1 143 . 1 1 21 21 ILE HD13 H 1 -0.231 0.03 . . . . . . . . . . 6374 1 144 . 1 1 21 21 ILE CD1 C 13 11.14 0.5 . . . . . . . . . . 6374 1 145 . 1 1 22 22 CYS CA C 13 56.18 0.5 . . . . . . . . . . 6374 1 146 . 1 1 22 22 CYS HA H 1 4.754 0.03 . . . . . . . . . . 6374 1 147 . 1 1 22 22 CYS CB C 13 26.153 0.5 . . . . . . . . . . 6374 1 148 . 1 1 22 22 CYS HB2 H 1 2.895 0.03 . . . . . . . . . . 6374 1 149 . 1 1 22 22 CYS HB3 H 1 2.763 0.03 . . . . . . . . . . 6374 1 150 . 1 1 23 23 CYS CA C 13 58.25 0.5 . . . . . . . . . . 6374 1 151 . 1 1 23 23 CYS HA H 1 4.656 0.03 . . . . . . . . . . 6374 1 152 . 1 1 23 23 CYS CB C 13 28.224 0.5 . . . . . . . . . . 6374 1 153 . 1 1 23 23 CYS HB2 H 1 3.686 0.03 . . . . . . . . . . 6374 1 154 . 1 1 23 23 CYS HB3 H 1 2.863 0.03 . . . . . . . . . . 6374 1 155 . 1 1 24 24 ASP CA C 13 54.109 0.5 . . . . . . . . . . 6374 1 156 . 1 1 24 24 ASP HA H 1 4.746 0.03 . . . . . . . . . . 6374 1 157 . 1 1 24 24 ASP CB C 13 40.131 0.5 . . . . . . . . . . 6374 1 158 . 1 1 24 24 ASP HB2 H 1 2.738 0.03 . . . . . . . . . . 6374 1 159 . 1 1 24 24 ASP HB3 H 1 2.489 0.03 . . . . . . . . . . 6374 1 160 . 1 1 25 25 GLY CA C 13 42.72 0.5 . . . . . . . . . . 6374 1 161 . 1 1 25 25 GLY HA2 H 1 4.235 0.03 . . . . . . . . . . 6374 1 162 . 1 1 25 25 GLY HA3 H 1 3.845 0.03 . . . . . . . . . . 6374 1 163 . 1 1 26 26 CYS CA C 13 54.627 0.5 . . . . . . . . . . 6374 1 164 . 1 1 26 26 CYS HA H 1 4.91 0.03 . . . . . . . . . . 6374 1 165 . 1 1 26 26 CYS CB C 13 27.706 0.5 . . . . . . . . . . 6374 1 166 . 1 1 26 26 CYS HB2 H 1 3.101 0.03 . . . . . . . . . . 6374 1 167 . 1 1 26 26 CYS HB3 H 1 2.609 0.03 . . . . . . . . . . 6374 1 168 . 1 1 27 27 PRO CD C 13 48.414 0.5 . . . . . . . . . . 6374 1 169 . 1 1 27 27 PRO CA C 13 60.839 0.5 . . . . . . . . . . 6374 1 170 . 1 1 27 27 PRO HA H 1 4.672 0.03 . . . . . . . . . . 6374 1 171 . 1 1 27 27 PRO CB C 13 29.259 0.5 . . . . . . . . . . 6374 1 172 . 1 1 27 27 PRO HB2 H 1 2.321 0.03 . . . . . . . . . . 6374 1 173 . 1 1 27 27 PRO HB3 H 1 1.899 0.03 . . . . . . . . . . 6374 1 174 . 1 1 27 27 PRO CG C 13 25.118 0.5 . . . . . . . . . . 6374 1 175 . 1 1 27 27 PRO HG2 H 1 1.861 0.03 . . . . . . . . . . 6374 1 176 . 1 1 27 27 PRO HG3 H 1 1.788 0.03 . . . . . . . . . . 6374 1 177 . 1 1 27 27 PRO HD2 H 1 3.687 0.03 . . . . . . . . . . 6374 1 178 . 1 1 27 27 PRO HD3 H 1 3.432 0.03 . . . . . . . . . . 6374 1 179 . 1 1 28 28 ARG CA C 13 55.662 0.5 . . . . . . . . . . 6374 1 180 . 1 1 28 28 ARG HA H 1 4.004 0.03 . . . . . . . . . . 6374 1 181 . 1 1 28 28 ARG CB C 13 30.295 0.5 . . . . . . . . . . 6374 1 182 . 1 1 28 28 ARG HB2 H 1 1.873 0.03 . . . . . . . . . . 6374 1 183 . 1 1 28 28 ARG HB3 H 1 1.348 0.03 . . . . . . . . . . 6374 1 184 . 1 1 28 28 ARG CG C 13 26.671 0.5 . . . . . . . . . . 6374 1 185 . 1 1 28 28 ARG HG2 H 1 2.03 0.03 . . . . . . . . . . 6374 1 186 . 1 1 28 28 ARG HG3 H 1 1.566 0.03 . . . . . . . . . . 6374 1 187 . 1 1 28 28 ARG CD C 13 41.684 0.5 . . . . . . . . . . 6374 1 188 . 1 1 28 28 ARG HD2 H 1 3.401 0.03 . . . . . . . . . . 6374 1 189 . 1 1 28 28 ARG HD3 H 1 3.119 0.03 . . . . . . . . . . 6374 1 190 . 1 1 29 29 ALA CA C 13 47.379 0.5 . . . . . . . . . . 6374 1 191 . 1 1 29 29 ALA HA H 1 5.332 0.03 . . . . . . . . . . 6374 1 192 . 1 1 29 29 ALA HB1 H 1 1.099 0.03 . . . . . . . . . . 6374 1 193 . 1 1 29 29 ALA HB2 H 1 1.099 0.03 . . . . . . . . . . 6374 1 194 . 1 1 29 29 ALA HB3 H 1 1.099 0.03 . . . . . . . . . . 6374 1 195 . 1 1 29 29 ALA CB C 13 20.976 0.5 . . . . . . . . . . 6374 1 196 . 1 1 30 30 PHE CA C 13 54.109 0.5 . . . . . . . . . . 6374 1 197 . 1 1 30 30 PHE HA H 1 5.582 0.03 . . . . . . . . . . 6374 1 198 . 1 1 30 30 PHE CB C 13 42.202 0.5 . . . . . . . . . . 6374 1 199 . 1 1 30 30 PHE HB2 H 1 2.992 0.03 . . . . . . . . . . 6374 1 200 . 1 1 30 30 PHE HB3 H 1 2.282 0.03 . . . . . . . . . . 6374 1 201 . 1 1 30 30 PHE CD1 C 13 129.74 0.5 . . . . . . . . . . 6374 1 202 . 1 1 30 30 PHE CE1 C 13 128.461 0.5 . . . . . . . . . . 6374 1 203 . 1 1 30 30 PHE CZ C 13 126.939 0.5 . . . . . . . . . . 6374 1 204 . 1 1 30 30 PHE HZ H 1 7.282 0.03 . . . . . . . . . . 6374 1 205 . 1 1 30 30 PHE CE2 C 13 128.461 0.5 . . . . . . . . . . 6374 1 206 . 1 1 30 30 PHE CD2 C 13 129.74 0.5 . . . . . . . . . . 6374 1 207 . 1 1 30 30 PHE HD1 H 1 7.173 0.03 . . . . . . . . . . 6374 1 208 . 1 1 30 30 PHE HE1 H 1 7.259 0.03 . . . . . . . . . . 6374 1 209 . 1 1 31 31 HIS CA C 13 55.662 0.5 . . . . . . . . . . 6374 1 210 . 1 1 31 31 HIS HA H 1 4.802 0.03 . . . . . . . . . . 6374 1 211 . 1 1 31 31 HIS CB C 13 27.706 0.5 . . . . . . . . . . 6374 1 212 . 1 1 31 31 HIS HB2 H 1 3.625 0.03 . . . . . . . . . . 6374 1 213 . 1 1 31 31 HIS HB3 H 1 3.482 0.03 . . . . . . . . . . 6374 1 214 . 1 1 31 31 HIS CD2 C 13 116.038 0.5 . . . . . . . . . . 6374 1 215 . 1 1 31 31 HIS CE1 C 13 135.998 0.5 . . . . . . . . . . 6374 1 216 . 1 1 31 31 HIS HD2 H 1 7.3 0.03 . . . . . . . . . . 6374 1 217 . 1 1 31 31 HIS HE1 H 1 7.235 0.03 . . . . . . . . . . 6374 1 218 . 1 1 32 32 LEU CA C 13 55.662 0.5 . . . . . . . . . . 6374 1 219 . 1 1 32 32 LEU HA H 1 3.72 0.03 . . . . . . . . . . 6374 1 220 . 1 1 32 32 LEU CB C 13 37.543 0.5 . . . . . . . . . . 6374 1 221 . 1 1 32 32 LEU HB2 H 1 1.633 0.03 . . . . . . . . . . 6374 1 222 . 1 1 32 32 LEU HB3 H 1 1.484 0.03 . . . . . . . . . . 6374 1 223 . 1 1 32 32 LEU CG C 13 23.565 0.5 . . . . . . . . . . 6374 1 224 . 1 1 32 32 LEU HG H 1 1.632 0.03 . . . . . . . . . . 6374 1 225 . 1 1 32 32 LEU HD11 H 1 0.564 0.03 . . . . . . . . . . 6374 1 226 . 1 1 32 32 LEU HD12 H 1 0.564 0.03 . . . . . . . . . . 6374 1 227 . 1 1 32 32 LEU HD13 H 1 0.564 0.03 . . . . . . . . . . 6374 1 228 . 1 1 32 32 LEU HD21 H 1 0.485 0.03 . . . . . . . . . . 6374 1 229 . 1 1 32 32 LEU HD22 H 1 0.485 0.03 . . . . . . . . . . 6374 1 230 . 1 1 32 32 LEU HD23 H 1 0.485 0.03 . . . . . . . . . . 6374 1 231 . 1 1 32 32 LEU CD1 C 13 22.529 0.5 . . . . . . . . . . 6374 1 232 . 1 1 32 32 LEU CD2 C 13 20.459 0.5 . . . . . . . . . . 6374 1 233 . 1 1 33 33 ALA CA C 13 50.485 0.5 . . . . . . . . . . 6374 1 234 . 1 1 33 33 ALA HA H 1 4.241 0.03 . . . . . . . . . . 6374 1 235 . 1 1 33 33 ALA HB1 H 1 1.333 0.03 . . . . . . . . . . 6374 1 236 . 1 1 33 33 ALA HB2 H 1 1.333 0.03 . . . . . . . . . . 6374 1 237 . 1 1 33 33 ALA HB3 H 1 1.333 0.03 . . . . . . . . . . 6374 1 238 . 1 1 33 33 ALA CB C 13 15.799 0.5 . . . . . . . . . . 6374 1 239 . 1 1 34 34 CYS CA C 13 58.25 0.5 . . . . . . . . . . 6374 1 240 . 1 1 34 34 CYS HA H 1 4.299 0.03 . . . . . . . . . . 6374 1 241 . 1 1 34 34 CYS CB C 13 27.706 0.5 . . . . . . . . . . 6374 1 242 . 1 1 34 34 CYS HB2 H 1 3.234 0.03 . . . . . . . . . . 6374 1 243 . 1 1 34 34 CYS HB3 H 1 2.977 0.03 . . . . . . . . . . 6374 1 244 . 1 1 35 35 LEU CA C 13 52.038 0.5 . . . . . . . . . . 6374 1 245 . 1 1 35 35 LEU HA H 1 4.03 0.03 . . . . . . . . . . 6374 1 246 . 1 1 35 35 LEU CB C 13 41.166 0.5 . . . . . . . . . . 6374 1 247 . 1 1 35 35 LEU HB2 H 1 1.759 0.03 . . . . . . . . . . 6374 1 248 . 1 1 35 35 LEU HB3 H 1 1.318 0.03 . . . . . . . . . . 6374 1 249 . 1 1 35 35 LEU CG C 13 24.082 0.5 . . . . . . . . . . 6374 1 250 . 1 1 35 35 LEU HG H 1 1.735 0.03 . . . . . . . . . . 6374 1 251 . 1 1 35 35 LEU HD11 H 1 0.619 0.03 . . . . . . . . . . 6374 1 252 . 1 1 35 35 LEU HD12 H 1 0.619 0.03 . . . . . . . . . . 6374 1 253 . 1 1 35 35 LEU HD13 H 1 0.619 0.03 . . . . . . . . . . 6374 1 254 . 1 1 35 35 LEU HD21 H 1 0.371 0.03 . . . . . . . . . . 6374 1 255 . 1 1 35 35 LEU HD22 H 1 0.371 0.03 . . . . . . . . . . 6374 1 256 . 1 1 35 35 LEU HD23 H 1 0.371 0.03 . . . . . . . . . . 6374 1 257 . 1 1 35 35 LEU CD1 C 13 24.082 0.5 . . . . . . . . . . 6374 1 258 . 1 1 35 35 LEU CD2 C 13 20.459 0.5 . . . . . . . . . . 6374 1 259 . 1 1 36 36 SER CA C 13 51.52 0.5 . . . . . . . . . . 6374 1 260 . 1 1 36 36 SER HA H 1 4.66 0.03 . . . . . . . . . . 6374 1 261 . 1 1 36 36 SER CB C 13 61.874 0.5 . . . . . . . . . . 6374 1 262 . 1 1 36 36 SER HB2 H 1 3.696 0.03 . . . . . . . . . . 6374 1 263 . 1 1 36 36 SER HB3 H 1 3.575 0.03 . . . . . . . . . . 6374 1 264 . 1 1 37 37 PRO CD C 13 47.379 0.5 . . . . . . . . . . 6374 1 265 . 1 1 37 37 PRO CA C 13 59.804 0.5 . . . . . . . . . . 6374 1 266 . 1 1 37 37 PRO HA H 1 5.012 0.03 . . . . . . . . . . 6374 1 267 . 1 1 37 37 PRO CB C 13 29.777 0.5 . . . . . . . . . . 6374 1 268 . 1 1 37 37 PRO HB2 H 1 2.362 0.03 . . . . . . . . . . 6374 1 269 . 1 1 37 37 PRO HB3 H 1 1.984 0.03 . . . . . . . . . . 6374 1 270 . 1 1 37 37 PRO CG C 13 22.012 0.5 . . . . . . . . . . 6374 1 271 . 1 1 37 37 PRO HG2 H 1 1.854 0.03 . . . . . . . . . . 6374 1 272 . 1 1 37 37 PRO HG3 H 1 1.77 0.03 . . . . . . . . . . 6374 1 273 . 1 1 37 37 PRO HD2 H 1 3.586 0.03 . . . . . . . . . . 6374 1 274 . 1 1 37 37 PRO HD3 H 1 3.408 0.03 . . . . . . . . . . 6374 1 275 . 1 1 38 38 PRO CD C 13 47.379 0.5 . . . . . . . . . . 6374 1 276 . 1 1 38 38 PRO CA C 13 60.839 0.5 . . . . . . . . . . 6374 1 277 . 1 1 38 38 PRO HA H 1 4.261 0.03 . . . . . . . . . . 6374 1 278 . 1 1 38 38 PRO CB C 13 29.259 0.5 . . . . . . . . . . 6374 1 279 . 1 1 38 38 PRO HB2 H 1 2.217 0.03 . . . . . . . . . . 6374 1 280 . 1 1 38 38 PRO HB3 H 1 1.669 0.03 . . . . . . . . . . 6374 1 281 . 1 1 38 38 PRO CG C 13 24.6 0.5 . . . . . . . . . . 6374 1 282 . 1 1 38 38 PRO HG2 H 1 2.015 0.03 . . . . . . . . . . 6374 1 283 . 1 1 38 38 PRO HG3 H 1 1.935 0.03 . . . . . . . . . . 6374 1 284 . 1 1 38 38 PRO HD2 H 1 3.69 0.03 . . . . . . . . . . 6374 1 285 . 1 1 38 38 PRO HD3 H 1 3.555 0.03 . . . . . . . . . . 6374 1 286 . 1 1 39 39 LEU CA C 13 50.485 0.5 . . . . . . . . . . 6374 1 287 . 1 1 39 39 LEU HA H 1 4.513 0.03 . . . . . . . . . . 6374 1 288 . 1 1 39 39 LEU CB C 13 41.684 0.5 . . . . . . . . . . 6374 1 289 . 1 1 39 39 LEU HB2 H 1 1.418 0.03 . . . . . . . . . . 6374 1 290 . 1 1 39 39 LEU CG C 13 24.082 0.5 . . . . . . . . . . 6374 1 291 . 1 1 39 39 LEU HG H 1 1.64 0.03 . . . . . . . . . . 6374 1 292 . 1 1 39 39 LEU HD11 H 1 0.592 0.03 . . . . . . . . . . 6374 1 293 . 1 1 39 39 LEU HD12 H 1 0.592 0.03 . . . . . . . . . . 6374 1 294 . 1 1 39 39 LEU HD13 H 1 0.592 0.03 . . . . . . . . . . 6374 1 295 . 1 1 39 39 LEU HD21 H 1 0.763 0.03 . . . . . . . . . . 6374 1 296 . 1 1 39 39 LEU HD22 H 1 0.763 0.03 . . . . . . . . . . 6374 1 297 . 1 1 39 39 LEU HD23 H 1 0.763 0.03 . . . . . . . . . . 6374 1 298 . 1 1 39 39 LEU CD1 C 13 22.529 0.5 . . . . . . . . . . 6374 1 299 . 1 1 39 39 LEU CD2 C 13 19.941 0.5 . . . . . . . . . . 6374 1 300 . 1 1 40 40 ARG CA C 13 53.591 0.5 . . . . . . . . . . 6374 1 301 . 1 1 40 40 ARG HA H 1 4.189 0.03 . . . . . . . . . . 6374 1 302 . 1 1 40 40 ARG CB C 13 28.224 0.5 . . . . . . . . . . 6374 1 303 . 1 1 40 40 ARG HB2 H 1 1.737 0.03 . . . . . . . . . . 6374 1 304 . 1 1 40 40 ARG CG C 13 25.118 0.5 . . . . . . . . . . 6374 1 305 . 1 1 40 40 ARG HG2 H 1 1.569 0.03 . . . . . . . . . . 6374 1 306 . 1 1 40 40 ARG CD C 13 40.131 0.5 . . . . . . . . . . 6374 1 307 . 1 1 40 40 ARG HD2 H 1 3.084 0.03 . . . . . . . . . . 6374 1 308 . 1 1 41 41 GLU CA C 13 51.003 0.5 . . . . . . . . . . 6374 1 309 . 1 1 41 41 GLU HA H 1 4.392 0.03 . . . . . . . . . . 6374 1 310 . 1 1 41 41 GLU CB C 13 29.259 0.5 . . . . . . . . . . 6374 1 311 . 1 1 41 41 GLU HB2 H 1 1.708 0.03 . . . . . . . . . . 6374 1 312 . 1 1 41 41 GLU CG C 13 32.883 0.5 . . . . . . . . . . 6374 1 313 . 1 1 41 41 GLU HG2 H 1 1.973 0.03 . . . . . . . . . . 6374 1 314 . 1 1 42 42 ILE CA C 13 57.215 0.5 . . . . . . . . . . 6374 1 315 . 1 1 42 42 ILE HA H 1 3.821 0.03 . . . . . . . . . . 6374 1 316 . 1 1 42 42 ILE CB C 13 35.472 0.5 . . . . . . . . . . 6374 1 317 . 1 1 42 42 ILE HB H 1 1.661 0.03 . . . . . . . . . . 6374 1 318 . 1 1 42 42 ILE HG21 H 1 0.841 0.03 . . . . . . . . . . 6374 1 319 . 1 1 42 42 ILE HG22 H 1 0.841 0.03 . . . . . . . . . . 6374 1 320 . 1 1 42 42 ILE HG23 H 1 0.841 0.03 . . . . . . . . . . 6374 1 321 . 1 1 42 42 ILE CG2 C 13 13.728 0.5 . . . . . . . . . . 6374 1 322 . 1 1 42 42 ILE CG1 C 13 25.636 0.5 . . . . . . . . . . 6374 1 323 . 1 1 42 42 ILE HG12 H 1 1.507 0.03 . . . . . . . . . . 6374 1 324 . 1 1 42 42 ILE HG13 H 1 0.956 0.03 . . . . . . . . . . 6374 1 325 . 1 1 42 42 ILE HD11 H 1 0.721 0.03 . . . . . . . . . . 6374 1 326 . 1 1 42 42 ILE HD12 H 1 0.721 0.03 . . . . . . . . . . 6374 1 327 . 1 1 42 42 ILE HD13 H 1 0.721 0.03 . . . . . . . . . . 6374 1 328 . 1 1 42 42 ILE CD1 C 13 9.587 0.5 . . . . . . . . . . 6374 1 329 . 1 1 43 43 PRO CD C 13 48.414 0.5 . . . . . . . . . . 6374 1 330 . 1 1 43 43 PRO CA C 13 60.321 0.5 . . . . . . . . . . 6374 1 331 . 1 1 43 43 PRO HA H 1 4.356 0.03 . . . . . . . . . . 6374 1 332 . 1 1 43 43 PRO CB C 13 29.259 0.5 . . . . . . . . . . 6374 1 333 . 1 1 43 43 PRO HB2 H 1 2.214 0.03 . . . . . . . . . . 6374 1 334 . 1 1 43 43 PRO HB3 H 1 1.906 0.03 . . . . . . . . . . 6374 1 335 . 1 1 43 43 PRO CG C 13 24.082 0.5 . . . . . . . . . . 6374 1 336 . 1 1 43 43 PRO HG2 H 1 1.618 0.03 . . . . . . . . . . 6374 1 337 . 1 1 43 43 PRO HG3 H 1 1.545 0.03 . . . . . . . . . . 6374 1 338 . 1 1 43 43 PRO HD2 H 1 3.567 0.03 . . . . . . . . . . 6374 1 339 . 1 1 43 43 PRO HD3 H 1 3.308 0.03 . . . . . . . . . . 6374 1 340 . 1 1 44 44 SER CA C 13 55.662 0.5 . . . . . . . . . . 6374 1 341 . 1 1 44 44 SER HA H 1 4.38 0.03 . . . . . . . . . . 6374 1 342 . 1 1 44 44 SER CB C 13 61.357 0.5 . . . . . . . . . . 6374 1 343 . 1 1 44 44 SER HB2 H 1 3.823 0.03 . . . . . . . . . . 6374 1 344 . 1 1 45 45 GLY CA C 13 42.202 0.5 . . . . . . . . . . 6374 1 345 . 1 1 45 45 GLY HA2 H 1 3.978 0.03 . . . . . . . . . . 6374 1 346 . 1 1 46 46 THR CA C 13 59.804 0.5 . . . . . . . . . . 6374 1 347 . 1 1 46 46 THR HA H 1 4.275 0.03 . . . . . . . . . . 6374 1 348 . 1 1 46 46 THR CB C 13 67.051 0.5 . . . . . . . . . . 6374 1 349 . 1 1 46 46 THR HB H 1 4.025 0.03 . . . . . . . . . . 6374 1 350 . 1 1 46 46 THR HG21 H 1 1.122 0.03 . . . . . . . . . . 6374 1 351 . 1 1 46 46 THR HG22 H 1 1.122 0.03 . . . . . . . . . . 6374 1 352 . 1 1 46 46 THR HG23 H 1 1.122 0.03 . . . . . . . . . . 6374 1 353 . 1 1 46 46 THR CG2 C 13 18.905 0.5 . . . . . . . . . . 6374 1 354 . 1 1 47 47 TRP CA C 13 57.215 0.5 . . . . . . . . . . 6374 1 355 . 1 1 47 47 TRP HA H 1 4.351 0.03 . . . . . . . . . . 6374 1 356 . 1 1 47 47 TRP CB C 13 28.224 0.5 . . . . . . . . . . 6374 1 357 . 1 1 47 47 TRP HB2 H 1 3.153 0.03 . . . . . . . . . . 6374 1 358 . 1 1 47 47 TRP HB3 H 1 2.952 0.03 . . . . . . . . . . 6374 1 359 . 1 1 47 47 TRP CD1 C 13 123.18 0.5 . . . . . . . . . . 6374 1 360 . 1 1 47 47 TRP CE3 C 13 118.203 0.5 . . . . . . . . . . 6374 1 361 . 1 1 47 47 TRP HD1 H 1 7.126 0.03 . . . . . . . . . . 6374 1 362 . 1 1 47 47 TRP HE3 H 1 7.279 0.03 . . . . . . . . . . 6374 1 363 . 1 1 47 47 TRP CZ3 C 13 116.909 0.5 . . . . . . . . . . 6374 1 364 . 1 1 47 47 TRP CZ2 C 13 111.689 0.5 . . . . . . . . . . 6374 1 365 . 1 1 47 47 TRP HZ3 H 1 6.636 0.03 . . . . . . . . . . 6374 1 366 . 1 1 47 47 TRP CH2 C 13 120.69 0.5 . . . . . . . . . . 6374 1 367 . 1 1 47 47 TRP HZ2 H 1 7.015 0.03 . . . . . . . . . . 6374 1 368 . 1 1 47 47 TRP HH2 H 1 6.209 0.03 . . . . . . . . . . 6374 1 369 . 1 1 48 48 ARG CA C 13 50.485 0.5 . . . . . . . . . . 6374 1 370 . 1 1 48 48 ARG HA H 1 5.092 0.03 . . . . . . . . . . 6374 1 371 . 1 1 48 48 ARG CB C 13 31.848 0.5 . . . . . . . . . . 6374 1 372 . 1 1 48 48 ARG HB2 H 1 1.159 0.03 . . . . . . . . . . 6374 1 373 . 1 1 48 48 ARG CG C 13 25.636 0.5 . . . . . . . . . . 6374 1 374 . 1 1 48 48 ARG HG2 H 1 1.437 0.03 . . . . . . . . . . 6374 1 375 . 1 1 48 48 ARG HG3 H 1 1.27 0.03 . . . . . . . . . . 6374 1 376 . 1 1 48 48 ARG CD C 13 41.166 0.5 . . . . . . . . . . 6374 1 377 . 1 1 48 48 ARG HD2 H 1 2.866 0.03 . . . . . . . . . . 6374 1 378 . 1 1 49 49 CYS CA C 13 54.627 0.5 . . . . . . . . . . 6374 1 379 . 1 1 49 49 CYS HA H 1 3.641 0.03 . . . . . . . . . . 6374 1 380 . 1 1 49 49 CYS CB C 13 29.777 0.5 . . . . . . . . . . 6374 1 381 . 1 1 49 49 CYS HB2 H 1 3.147 0.03 . . . . . . . . . . 6374 1 382 . 1 1 49 49 CYS HB3 H 1 2.611 0.03 . . . . . . . . . . 6374 1 383 . 1 1 50 50 SER CA C 13 59.804 0.5 . . . . . . . . . . 6374 1 384 . 1 1 50 50 SER HA H 1 3.864 0.03 . . . . . . . . . . 6374 1 385 . 1 1 50 50 SER CB C 13 60.321 0.5 . . . . . . . . . . 6374 1 386 . 1 1 50 50 SER HB2 H 1 3.865 0.03 . . . . . . . . . . 6374 1 387 . 1 1 51 51 SER CA C 13 59.286 0.5 . . . . . . . . . . 6374 1 388 . 1 1 51 51 SER HA H 1 4.129 0.03 . . . . . . . . . . 6374 1 389 . 1 1 51 51 SER CB C 13 59.804 0.5 . . . . . . . . . . 6374 1 390 . 1 1 51 51 SER HB2 H 1 4.229 0.03 . . . . . . . . . . 6374 1 391 . 1 1 52 52 CYS CA C 13 61.874 0.5 . . . . . . . . . . 6374 1 392 . 1 1 52 52 CYS HA H 1 3.847 0.03 . . . . . . . . . . 6374 1 393 . 1 1 52 52 CYS CB C 13 25.636 0.5 . . . . . . . . . . 6374 1 394 . 1 1 52 52 CYS HB2 H 1 2.733 0.03 . . . . . . . . . . 6374 1 395 . 1 1 52 52 CYS HB3 H 1 2.605 0.03 . . . . . . . . . . 6374 1 396 . 1 1 53 53 LEU CA C 13 54.109 0.5 . . . . . . . . . . 6374 1 397 . 1 1 53 53 LEU HA H 1 3.925 0.03 . . . . . . . . . . 6374 1 398 . 1 1 53 53 LEU CB C 13 39.613 0.5 . . . . . . . . . . 6374 1 399 . 1 1 53 53 LEU HB2 H 1 1.435 0.03 . . . . . . . . . . 6374 1 400 . 1 1 53 53 LEU HB3 H 1 1.356 0.03 . . . . . . . . . . 6374 1 401 . 1 1 53 53 LEU CG C 13 23.565 0.5 . . . . . . . . . . 6374 1 402 . 1 1 53 53 LEU HG H 1 1.356 0.03 . . . . . . . . . . 6374 1 403 . 1 1 53 53 LEU HD11 H 1 0.604 0.03 . . . . . . . . . . 6374 1 404 . 1 1 53 53 LEU HD12 H 1 0.604 0.03 . . . . . . . . . . 6374 1 405 . 1 1 53 53 LEU HD13 H 1 0.604 0.03 . . . . . . . . . . 6374 1 406 . 1 1 53 53 LEU HD21 H 1 0.604 0.03 . . . . . . . . . . 6374 1 407 . 1 1 53 53 LEU HD22 H 1 0.604 0.03 . . . . . . . . . . 6374 1 408 . 1 1 53 53 LEU HD23 H 1 0.604 0.03 . . . . . . . . . . 6374 1 409 . 1 1 53 53 LEU CD1 C 13 22.529 0.5 . . . . . . . . . . 6374 1 410 . 1 1 53 53 LEU CD2 C 13 20.459 0.5 . . . . . . . . . . 6374 1 411 . 1 1 54 54 GLN CA C 13 54.109 0.5 . . . . . . . . . . 6374 1 412 . 1 1 54 54 GLN HA H 1 4.082 0.03 . . . . . . . . . . 6374 1 413 . 1 1 54 54 GLN CB C 13 26.153 0.5 . . . . . . . . . . 6374 1 414 . 1 1 54 54 GLN HB2 H 1 2.018 0.03 . . . . . . . . . . 6374 1 415 . 1 1 54 54 GLN CG C 13 31.33 0.5 . . . . . . . . . . 6374 1 416 . 1 1 54 54 GLN HG2 H 1 2.347 0.03 . . . . . . . . . . 6374 1 417 . 1 1 55 55 ALA CA C 13 50.485 0.5 . . . . . . . . . . 6374 1 418 . 1 1 55 55 ALA HA H 1 4.219 0.03 . . . . . . . . . . 6374 1 419 . 1 1 55 55 ALA HB1 H 1 1.299 0.03 . . . . . . . . . . 6374 1 420 . 1 1 55 55 ALA HB2 H 1 1.299 0.03 . . . . . . . . . . 6374 1 421 . 1 1 55 55 ALA HB3 H 1 1.299 0.03 . . . . . . . . . . 6374 1 422 . 1 1 55 55 ALA CB C 13 16.317 0.5 . . . . . . . . . . 6374 1 423 . 1 1 56 56 THR CA C 13 59.722 0.5 . . . . . . . . . . 6374 1 424 . 1 1 56 56 THR HA H 1 4.102 0.03 . . . . . . . . . . 6374 1 425 . 1 1 56 56 THR CB C 13 67.051 0.5 . . . . . . . . . . 6374 1 426 . 1 1 56 56 THR HB H 1 4.031 0.03 . . . . . . . . . . 6374 1 427 . 1 1 56 56 THR HG21 H 1 1.111 0.03 . . . . . . . . . . 6374 1 428 . 1 1 56 56 THR HG22 H 1 1.111 0.03 . . . . . . . . . . 6374 1 429 . 1 1 56 56 THR HG23 H 1 1.111 0.03 . . . . . . . . . . 6374 1 430 . 1 1 56 56 THR CG2 C 13 18.905 0.5 . . . . . . . . . . 6374 1 431 . 1 1 57 57 VAL CA C 13 59.804 0.5 . . . . . . . . . . 6374 1 432 . 1 1 57 57 VAL HA H 1 4.004 0.03 . . . . . . . . . . 6374 1 433 . 1 1 57 57 VAL CB C 13 29.777 0.5 . . . . . . . . . . 6374 1 434 . 1 1 57 57 VAL HB H 1 1.978 0.03 . . . . . . . . . . 6374 1 435 . 1 1 57 57 VAL CG1 C 13 18.388 0.5 . . . . . . . . . . 6374 1 436 . 1 1 57 57 VAL CG2 C 13 18.388 0.5 . . . . . . . . . . 6374 1 437 . 1 1 57 57 VAL HG21 H 1 0.845 0.03 . . . . . . . . . . 6374 1 438 . 1 1 57 57 VAL HG22 H 1 0.845 0.03 . . . . . . . . . . 6374 1 439 . 1 1 57 57 VAL HG23 H 1 0.845 0.03 . . . . . . . . . . 6374 1 440 . 1 1 58 58 GLN CA C 13 53.073 0.5 . . . . . . . . . . 6374 1 441 . 1 1 58 58 GLN HA H 1 4.219 0.03 . . . . . . . . . . 6374 1 442 . 1 1 58 58 GLN CB C 13 27.189 0.5 . . . . . . . . . . 6374 1 443 . 1 1 58 58 GLN HB2 H 1 1.908 0.03 . . . . . . . . . . 6374 1 444 . 1 1 58 58 GLN CG C 13 30.812 0.5 . . . . . . . . . . 6374 1 445 . 1 1 58 58 GLN HG2 H 1 2.267 0.03 . . . . . . . . . . 6374 1 446 . 1 1 59 59 GLU CA C 13 54.109 0.5 . . . . . . . . . . 6374 1 447 . 1 1 59 59 GLU HA H 1 4.199 0.03 . . . . . . . . . . 6374 1 448 . 1 1 59 59 GLU CB C 13 27.706 0.5 . . . . . . . . . . 6374 1 449 . 1 1 59 59 GLU HB2 H 1 1.901 0.03 . . . . . . . . . . 6374 1 450 . 1 1 59 59 GLU CG C 13 33.401 0.5 . . . . . . . . . . 6374 1 451 . 1 1 59 59 GLU HG2 H 1 2.152 0.03 . . . . . . . . . . 6374 1 452 . 1 1 60 60 VAL CA C 13 59.286 0.5 . . . . . . . . . . 6374 1 453 . 1 1 60 60 VAL HA H 1 4.009 0.03 . . . . . . . . . . 6374 1 454 . 1 1 60 60 VAL CB C 13 29.777 0.5 . . . . . . . . . . 6374 1 455 . 1 1 60 60 VAL HB H 1 1.953 0.03 . . . . . . . . . . 6374 1 456 . 1 1 60 60 VAL CG1 C 13 17.87 0.5 . . . . . . . . . . 6374 1 457 . 1 1 60 60 VAL CG2 C 13 18.388 0.5 . . . . . . . . . . 6374 1 458 . 1 1 60 60 VAL HG21 H 1 0.842 0.03 . . . . . . . . . . 6374 1 459 . 1 1 60 60 VAL HG22 H 1 0.842 0.03 . . . . . . . . . . 6374 1 460 . 1 1 60 60 VAL HG23 H 1 0.842 0.03 . . . . . . . . . . 6374 1 461 . 1 1 61 61 GLN CA C 13 51.003 0.5 . . . . . . . . . . 6374 1 462 . 1 1 61 61 GLN HA H 1 4.537 0.03 . . . . . . . . . . 6374 1 463 . 1 1 61 61 GLN CB C 13 25.636 0.5 . . . . . . . . . . 6374 1 464 . 1 1 61 61 GLN HB2 H 1 2.012 0.03 . . . . . . . . . . 6374 1 465 . 1 1 61 61 GLN HB3 H 1 1.853 0.03 . . . . . . . . . . 6374 1 466 . 1 1 61 61 GLN CG C 13 30.812 0.5 . . . . . . . . . . 6374 1 467 . 1 1 61 61 GLN HG2 H 1 2.31 0.03 . . . . . . . . . . 6374 1 468 . 1 1 62 62 PRO CD C 13 47.896 0.5 . . . . . . . . . . 6374 1 469 . 1 1 62 62 PRO CA C 13 60.321 0.5 . . . . . . . . . . 6374 1 470 . 1 1 62 62 PRO HA H 1 4.307 0.03 . . . . . . . . . . 6374 1 471 . 1 1 62 62 PRO CB C 13 29.259 0.5 . . . . . . . . . . 6374 1 472 . 1 1 62 62 PRO HB2 H 1 2.197 0.03 . . . . . . . . . . 6374 1 473 . 1 1 62 62 PRO CG C 13 24.6 0.5 . . . . . . . . . . 6374 1 474 . 1 1 62 62 PRO HG2 H 1 1.931 0.03 . . . . . . . . . . 6374 1 475 . 1 1 62 62 PRO HG3 H 1 1.791 0.03 . . . . . . . . . . 6374 1 476 . 1 1 62 62 PRO HD2 H 1 3.729 0.03 . . . . . . . . . . 6374 1 477 . 1 1 62 62 PRO HD3 H 1 3.591 0.03 . . . . . . . . . . 6374 1 478 . 1 1 63 63 ARG CA C 13 53.073 0.5 . . . . . . . . . . 6374 1 479 . 1 1 63 63 ARG HA H 1 4.213 0.03 . . . . . . . . . . 6374 1 480 . 1 1 63 63 ARG CB C 13 28.224 0.5 . . . . . . . . . . 6374 1 481 . 1 1 63 63 ARG HB2 H 1 1.747 0.03 . . . . . . . . . . 6374 1 482 . 1 1 63 63 ARG CG C 13 24.6 0.5 . . . . . . . . . . 6374 1 483 . 1 1 63 63 ARG HG2 H 1 1.657 0.03 . . . . . . . . . . 6374 1 484 . 1 1 63 63 ARG HG3 H 1 1.576 0.03 . . . . . . . . . . 6374 1 485 . 1 1 63 63 ARG CD C 13 40.649 0.5 . . . . . . . . . . 6374 1 486 . 1 1 63 63 ARG HD2 H 1 3.119 0.03 . . . . . . . . . . 6374 1 487 . 1 1 64 64 ALA CA C 13 49.967 0.5 . . . . . . . . . . 6374 1 488 . 1 1 64 64 ALA HA H 1 4.266 0.03 . . . . . . . . . . 6374 1 489 . 1 1 64 64 ALA HB1 H 1 1.29 0.03 . . . . . . . . . . 6374 1 490 . 1 1 64 64 ALA HB2 H 1 1.29 0.03 . . . . . . . . . . 6374 1 491 . 1 1 64 64 ALA HB3 H 1 1.29 0.03 . . . . . . . . . . 6374 1 492 . 1 1 64 64 ALA CB C 13 16.317 0.5 . . . . . . . . . . 6374 1 493 . 1 1 65 65 GLU CA C 13 54.109 0.5 . . . . . . . . . . 6374 1 494 . 1 1 65 65 GLU HA H 1 4.197 0.03 . . . . . . . . . . 6374 1 495 . 1 1 65 65 GLU CB C 13 27.706 0.5 . . . . . . . . . . 6374 1 496 . 1 1 65 65 GLU HB2 H 1 1.777 0.03 . . . . . . . . . . 6374 1 497 . 1 1 65 65 GLU CG C 13 32.883 0.5 . . . . . . . . . . 6374 1 498 . 1 1 65 65 GLU HG2 H 1 2.156 0.03 . . . . . . . . . . 6374 1 499 . 1 1 66 66 GLU CA C 13 55.144 0.5 . . . . . . . . . . 6374 1 500 . 1 1 66 66 GLU HA H 1 4.188 0.03 . . . . . . . . . . 6374 1 501 . 1 1 66 66 GLU CB C 13 28.224 0.5 . . . . . . . . . . 6374 1 502 . 1 1 66 66 GLU HB2 H 1 1.682 0.03 . . . . . . . . . . 6374 1 503 . 1 1 66 66 GLU HG2 H 1 3.075 0.03 . . . . . . . . . . 6374 1 stop_ save_ save_chemical_shift_set_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_2 _Assigned_chem_shift_list.Entry_ID 6374 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 6374 2 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 2 2 ALA HA H 1 4.274 0.03 . . . . . . . . . . 6374 2 2 . 1 1 2 2 ALA HB1 H 1 1.284 0.03 . . . . . . . . . . 6374 2 3 . 1 1 2 2 ALA HB2 H 1 1.284 0.03 . . . . . . . . . . 6374 2 4 . 1 1 2 2 ALA HB3 H 1 1.284 0.03 . . . . . . . . . . 6374 2 5 . 1 1 3 3 MET N N 15 119.83 0.5 . . . . . . . . . . 6374 2 6 . 1 1 3 3 MET H H 1 8.431 0.03 . . . . . . . . . . 6374 2 7 . 1 1 3 3 MET HA H 1 4.408 0.03 . . . . . . . . . . 6374 2 8 . 1 1 3 3 MET HB2 H 1 1.968 0.03 . . . . . . . . . . 6374 2 9 . 1 1 3 3 MET HG2 H 1 2.491 0.03 . . . . . . . . . . 6374 2 10 . 1 1 4 4 ALA N N 15 125.776 0.5 . . . . . . . . . . 6374 2 11 . 1 1 4 4 ALA H H 1 8.32 0.03 . . . . . . . . . . 6374 2 12 . 1 1 4 4 ALA HA H 1 4.234 0.03 . . . . . . . . . . 6374 2 13 . 1 1 4 4 ALA HB1 H 1 1.298 0.03 . . . . . . . . . . 6374 2 14 . 1 1 4 4 ALA HB2 H 1 1.298 0.03 . . . . . . . . . . 6374 2 15 . 1 1 4 4 ALA HB3 H 1 1.298 0.03 . . . . . . . . . . 6374 2 16 . 1 1 5 5 GLN N N 15 119.94 0.5 . . . . . . . . . . 6374 2 17 . 1 1 5 5 GLN H H 1 8.289 0.03 . . . . . . . . . . 6374 2 18 . 1 1 5 5 GLN HA H 1 4.261 0.03 . . . . . . . . . . 6374 2 19 . 1 1 5 5 GLN HB2 H 1 1.915 0.03 . . . . . . . . . . 6374 2 20 . 1 1 5 5 GLN HG2 H 1 2.236 0.03 . . . . . . . . . . 6374 2 21 . 1 1 6 6 LYS N N 15 123.133 0.5 . . . . . . . . . . 6374 2 22 . 1 1 6 6 LYS H H 1 8.37 0.03 . . . . . . . . . . 6374 2 23 . 1 1 6 6 LYS HA H 1 4.247 0.03 . . . . . . . . . . 6374 2 24 . 1 1 6 6 LYS HB2 H 1 1.727 0.03 . . . . . . . . . . 6374 2 25 . 1 1 6 6 LYS HG2 H 1 1.325 0.03 . . . . . . . . . . 6374 2 26 . 1 1 6 6 LYS HD2 H 1 1.646 0.03 . . . . . . . . . . 6374 2 27 . 1 1 6 6 LYS HE2 H 1 2.92 0.03 . . . . . . . . . . 6374 2 28 . 1 1 7 7 ASN N N 15 119.28 0.5 . . . . . . . . . . 6374 2 29 . 1 1 7 7 ASN H H 1 8.251 0.03 . . . . . . . . . . 6374 2 30 . 1 1 7 7 ASN HA H 1 4.877 0.03 . . . . . . . . . . 6374 2 31 . 1 1 7 7 ASN HB2 H 1 2.665 0.03 . . . . . . . . . . 6374 2 32 . 1 1 7 7 ASN HB3 H 1 2.545 0.03 . . . . . . . . . . 6374 2 33 . 1 1 8 8 GLU N N 15 120.161 0.5 . . . . . . . . . . 6374 2 34 . 1 1 8 8 GLU H H 1 8.742 0.03 . . . . . . . . . . 6374 2 35 . 1 1 8 8 GLU HA H 1 4.046 0.03 . . . . . . . . . . 6374 2 36 . 1 1 8 8 GLU HB2 H 1 1.995 0.03 . . . . . . . . . . 6374 2 37 . 1 1 8 8 GLU HG2 H 1 2.223 0.03 . . . . . . . . . . 6374 2 38 . 1 1 9 9 ASP N N 15 118.179 0.5 . . . . . . . . . . 6374 2 39 . 1 1 9 9 ASP H H 1 8.052 0.03 . . . . . . . . . . 6374 2 40 . 1 1 9 9 ASP HA H 1 4.421 0.03 . . . . . . . . . . 6374 2 41 . 1 1 9 9 ASP HB2 H 1 2.464 0.03 . . . . . . . . . . 6374 2 42 . 1 1 10 10 GLU N N 15 116.527 0.5 . . . . . . . . . . 6374 2 43 . 1 1 10 10 GLU H H 1 7.184 0.03 . . . . . . . . . . 6374 2 44 . 1 1 10 10 GLU HA H 1 4.033 0.03 . . . . . . . . . . 6374 2 45 . 1 1 10 10 GLU HB2 H 1 1.432 0.03 . . . . . . . . . . 6374 2 46 . 1 1 10 10 GLU HG2 H 1 1.999 0.03 . . . . . . . . . . 6374 2 47 . 1 1 11 11 CYS N N 15 123.023 0.5 . . . . . . . . . . 6374 2 48 . 1 1 11 11 CYS H H 1 8.113 0.03 . . . . . . . . . . 6374 2 49 . 1 1 11 11 CYS HA H 1 3.925 0.03 . . . . . . . . . . 6374 2 50 . 1 1 11 11 CYS HB2 H 1 3.242 0.03 . . . . . . . . . . 6374 2 51 . 1 1 11 11 CYS HB3 H 1 1.968 0.03 . . . . . . . . . . 6374 2 52 . 1 1 12 12 ALA N N 15 132.382 0.5 . . . . . . . . . . 6374 2 53 . 1 1 12 12 ALA H H 1 9.003 0.03 . . . . . . . . . . 6374 2 54 . 1 1 12 12 ALA HA H 1 3.952 0.03 . . . . . . . . . . 6374 2 55 . 1 1 12 12 ALA HB1 H 1 1.15 0.03 . . . . . . . . . . 6374 2 56 . 1 1 12 12 ALA HB2 H 1 1.15 0.03 . . . . . . . . . . 6374 2 57 . 1 1 12 12 ALA HB3 H 1 1.15 0.03 . . . . . . . . . . 6374 2 58 . 1 1 13 13 VAL N N 15 119.83 0.5 . . . . . . . . . . 6374 2 59 . 1 1 13 13 VAL H H 1 8.998 0.03 . . . . . . . . . . 6374 2 60 . 1 1 13 13 VAL HA H 1 4.006 0.03 . . . . . . . . . . 6374 2 61 . 1 1 13 13 VAL HB H 1 2.263 0.03 . . . . . . . . . . 6374 2 62 . 1 1 13 13 VAL HG11 H 1 1.043 0.03 . . . . . . . . . . 6374 2 63 . 1 1 13 13 VAL HG12 H 1 1.043 0.03 . . . . . . . . . . 6374 2 64 . 1 1 13 13 VAL HG13 H 1 1.043 0.03 . . . . . . . . . . 6374 2 65 . 1 1 13 13 VAL HG21 H 1 1.231 0.03 . . . . . . . . . . 6374 2 66 . 1 1 13 13 VAL HG22 H 1 1.231 0.03 . . . . . . . . . . 6374 2 67 . 1 1 13 13 VAL HG23 H 1 1.231 0.03 . . . . . . . . . . 6374 2 68 . 1 1 14 14 CYS N N 15 117.628 0.5 . . . . . . . . . . 6374 2 69 . 1 1 14 14 CYS H H 1 8.011 0.03 . . . . . . . . . . 6374 2 70 . 1 1 14 14 CYS HA H 1 4.85 0.03 . . . . . . . . . . 6374 2 71 . 1 1 14 14 CYS HB2 H 1 3.269 0.03 . . . . . . . . . . 6374 2 72 . 1 1 14 14 CYS HB3 H 1 2.853 0.03 . . . . . . . . . . 6374 2 73 . 1 1 15 15 ARG N N 15 116.858 0.5 . . . . . . . . . . 6374 2 74 . 1 1 15 15 ARG H H 1 7.954 0.03 . . . . . . . . . . 6374 2 75 . 1 1 15 15 ARG HA H 1 3.966 0.03 . . . . . . . . . . 6374 2 76 . 1 1 15 15 ARG HB2 H 1 2.049 0.03 . . . . . . . . . . 6374 2 77 . 1 1 15 15 ARG HG2 H 1 1.512 0.03 . . . . . . . . . . 6374 2 78 . 1 1 15 15 ARG HG3 H 1 1.325 0.03 . . . . . . . . . . 6374 2 79 . 1 1 15 15 ARG HD2 H 1 3.041 0.03 . . . . . . . . . . 6374 2 80 . 1 1 16 16 ASP N N 15 120.381 0.5 . . . . . . . . . . 6374 2 81 . 1 1 16 16 ASP H H 1 8.286 0.03 . . . . . . . . . . 6374 2 82 . 1 1 16 16 ASP HA H 1 5.172 0.03 . . . . . . . . . . 6374 2 83 . 1 1 16 16 ASP HB2 H 1 2.893 0.03 . . . . . . . . . . 6374 2 84 . 1 1 17 17 GLY N N 15 107.719 0.5 . . . . . . . . . . 6374 2 85 . 1 1 17 17 GLY H H 1 8.39 0.03 . . . . . . . . . . 6374 2 86 . 1 1 17 17 GLY HA2 H 1 4.368 0.03 . . . . . . . . . . 6374 2 87 . 1 1 17 17 GLY HA3 H 1 3.778 0.03 . . . . . . . . . . 6374 2 88 . 1 1 18 18 GLY N N 15 109.811 0.5 . . . . . . . . . . 6374 2 89 . 1 1 18 18 GLY H H 1 8.57 0.03 . . . . . . . . . . 6374 2 90 . 1 1 18 18 GLY HA2 H 1 4.475 0.03 . . . . . . . . . . 6374 2 91 . 1 1 18 18 GLY HA3 H 1 3.577 0.03 . . . . . . . . . . 6374 2 92 . 1 1 19 19 GLU N N 15 125.335 0.5 . . . . . . . . . . 6374 2 93 . 1 1 19 19 GLU H H 1 8.714 0.03 . . . . . . . . . . 6374 2 94 . 1 1 19 19 GLU HA H 1 4.167 0.03 . . . . . . . . . . 6374 2 95 . 1 1 19 19 GLU HB2 H 1 2.049 0.03 . . . . . . . . . . 6374 2 96 . 1 1 19 19 GLU HG2 H 1 2.145 0.03 . . . . . . . . . . 6374 2 97 . 1 1 20 20 LEU N N 15 125.886 0.5 . . . . . . . . . . 6374 2 98 . 1 1 20 20 LEU H H 1 8.03 0.03 . . . . . . . . . . 6374 2 99 . 1 1 20 20 LEU HA H 1 4.636 0.03 . . . . . . . . . . 6374 2 100 . 1 1 20 20 LEU HB2 H 1 1.311 0.03 . . . . . . . . . . 6374 2 101 . 1 1 20 20 LEU HB3 H 1 0.963 0.03 . . . . . . . . . . 6374 2 102 . 1 1 20 20 LEU HG H 1 1.097 0.03 . . . . . . . . . . 6374 2 103 . 1 1 20 20 LEU HD11 H 1 0.26 0.03 . . . . . . . . . . 6374 2 104 . 1 1 20 20 LEU HD12 H 1 0.26 0.03 . . . . . . . . . . 6374 2 105 . 1 1 20 20 LEU HD13 H 1 0.26 0.03 . . . . . . . . . . 6374 2 106 . 1 1 20 20 LEU HD21 H 1 -0.26 0.03 . . . . . . . . . . 6374 2 107 . 1 1 20 20 LEU HD22 H 1 -0.26 0.03 . . . . . . . . . . 6374 2 108 . 1 1 20 20 LEU HD23 H 1 -0.26 0.03 . . . . . . . . . . 6374 2 109 . 1 1 21 21 ILE N N 15 120.381 0.5 . . . . . . . . . . 6374 2 110 . 1 1 21 21 ILE H H 1 9.243 0.03 . . . . . . . . . . 6374 2 111 . 1 1 21 21 ILE HA H 1 4.462 0.03 . . . . . . . . . . 6374 2 112 . 1 1 21 21 ILE HB H 1 1.352 0.03 . . . . . . . . . . 6374 2 113 . 1 1 21 21 ILE HG21 H 1 0.346 0.03 . . . . . . . . . . 6374 2 114 . 1 1 21 21 ILE HG22 H 1 0.346 0.03 . . . . . . . . . . 6374 2 115 . 1 1 21 21 ILE HG23 H 1 0.346 0.03 . . . . . . . . . . 6374 2 116 . 1 1 21 21 ILE HG12 H 1 1.124 0.03 . . . . . . . . . . 6374 2 117 . 1 1 21 21 ILE HG13 H 1 0.641 0.03 . . . . . . . . . . 6374 2 118 . 1 1 21 21 ILE HD11 H 1 -0.212 0.03 . . . . . . . . . . 6374 2 119 . 1 1 21 21 ILE HD12 H 1 -0.212 0.03 . . . . . . . . . . 6374 2 120 . 1 1 21 21 ILE HD13 H 1 -0.212 0.03 . . . . . . . . . . 6374 2 121 . 1 1 22 22 CYS N N 15 123.023 0.5 . . . . . . . . . . 6374 2 122 . 1 1 22 22 CYS H H 1 8.519 0.03 . . . . . . . . . . 6374 2 123 . 1 1 22 22 CYS HA H 1 4.7 0.03 . . . . . . . . . . 6374 2 124 . 1 1 22 22 CYS HB2 H 1 2.928 0.03 . . . . . . . . . . 6374 2 125 . 1 1 22 22 CYS HB3 H 1 2.793 0.03 . . . . . . . . . . 6374 2 126 . 1 1 23 23 CYS N N 15 126.437 0.5 . . . . . . . . . . 6374 2 127 . 1 1 23 23 CYS H H 1 8.575 0.03 . . . . . . . . . . 6374 2 128 . 1 1 23 23 CYS HA H 1 4.645 0.03 . . . . . . . . . . 6374 2 129 . 1 1 23 23 CYS HB2 H 1 3.684 0.03 . . . . . . . . . . 6374 2 130 . 1 1 23 23 CYS HB3 H 1 2.853 0.03 . . . . . . . . . . 6374 2 131 . 1 1 24 24 ASP N N 15 126.547 0.5 . . . . . . . . . . 6374 2 132 . 1 1 24 24 ASP H H 1 8.84 0.03 . . . . . . . . . . 6374 2 133 . 1 1 24 24 ASP HA H 1 4.7 0.03 . . . . . . . . . . 6374 2 134 . 1 1 24 24 ASP HB2 H 1 2.732 0.03 . . . . . . . . . . 6374 2 135 . 1 1 24 24 ASP HB3 H 1 2.491 0.03 . . . . . . . . . . 6374 2 136 . 1 1 25 25 GLY N N 15 113.224 0.5 . . . . . . . . . . 6374 2 137 . 1 1 25 25 GLY H H 1 10.471 0.03 . . . . . . . . . . 6374 2 138 . 1 1 25 25 GLY HA2 H 1 4.22 0.03 . . . . . . . . . . 6374 2 139 . 1 1 25 25 GLY HA3 H 1 3.845 0.03 . . . . . . . . . . 6374 2 140 . 1 1 26 26 CYS N N 15 123.904 0.5 . . . . . . . . . . 6374 2 141 . 1 1 26 26 CYS H H 1 7.894 0.03 . . . . . . . . . . 6374 2 142 . 1 1 26 26 CYS HA H 1 4.91 0.03 . . . . . . . . . . 6374 2 143 . 1 1 26 26 CYS HB2 H 1 3.101 0.03 . . . . . . . . . . 6374 2 144 . 1 1 26 26 CYS HB3 H 1 2.609 0.03 . . . . . . . . . . 6374 2 145 . 1 1 27 27 PRO HA H 1 4.7 0.03 . . . . . . . . . . 6374 2 146 . 1 1 27 27 PRO HB2 H 1 2.317 0.03 . . . . . . . . . . 6374 2 147 . 1 1 27 27 PRO HB3 H 1 1.899 0.03 . . . . . . . . . . 6374 2 148 . 1 1 27 27 PRO HG2 H 1 1.861 0.03 . . . . . . . . . . 6374 2 149 . 1 1 27 27 PRO HD2 H 1 3.671 0.03 . . . . . . . . . . 6374 2 150 . 1 1 27 27 PRO HD3 H 1 3.443 0.03 . . . . . . . . . . 6374 2 151 . 1 1 28 28 ARG N N 15 120.381 0.5 . . . . . . . . . . 6374 2 152 . 1 1 28 28 ARG H H 1 8.657 0.03 . . . . . . . . . . 6374 2 153 . 1 1 28 28 ARG HA H 1 4.019 0.03 . . . . . . . . . . 6374 2 154 . 1 1 28 28 ARG HB2 H 1 1.965 0.03 . . . . . . . . . . 6374 2 155 . 1 1 28 28 ARG HB3 H 1 1.348 0.03 . . . . . . . . . . 6374 2 156 . 1 1 28 28 ARG HG2 H 1 1.948 0.03 . . . . . . . . . . 6374 2 157 . 1 1 28 28 ARG HG3 H 1 1.565 0.03 . . . . . . . . . . 6374 2 158 . 1 1 28 28 ARG HD2 H 1 3.403 0.03 . . . . . . . . . . 6374 2 159 . 1 1 28 28 ARG HD3 H 1 3.121 0.03 . . . . . . . . . . 6374 2 160 . 1 1 29 29 ALA N N 15 124.345 0.5 . . . . . . . . . . 6374 2 161 . 1 1 29 29 ALA H H 1 8.559 0.03 . . . . . . . . . . 6374 2 162 . 1 1 29 29 ALA HA H 1 5.336 0.03 . . . . . . . . . . 6374 2 163 . 1 1 29 29 ALA HB1 H 1 1.097 0.03 . . . . . . . . . . 6374 2 164 . 1 1 29 29 ALA HB2 H 1 1.097 0.03 . . . . . . . . . . 6374 2 165 . 1 1 29 29 ALA HB3 H 1 1.097 0.03 . . . . . . . . . . 6374 2 166 . 1 1 30 30 PHE N N 15 113.885 0.5 . . . . . . . . . . 6374 2 167 . 1 1 30 30 PHE H H 1 8.824 0.03 . . . . . . . . . . 6374 2 168 . 1 1 30 30 PHE HA H 1 5.588 0.03 . . . . . . . . . . 6374 2 169 . 1 1 30 30 PHE HB2 H 1 2.987 0.03 . . . . . . . . . . 6374 2 170 . 1 1 30 30 PHE HB3 H 1 2.272 0.03 . . . . . . . . . . 6374 2 171 . 1 1 30 30 PHE HZ H 1 7.282 0.03 . . . . . . . . . . 6374 2 172 . 1 1 30 30 PHE HD2 H 1 7.173 0.03 . . . . . . . . . . 6374 2 173 . 1 1 30 30 PHE HE2 H 1 7.259 0.03 . . . . . . . . . . 6374 2 174 . 1 1 31 31 HIS N N 15 121.152 0.5 . . . . . . . . . . 6374 2 175 . 1 1 31 31 HIS H H 1 8.594 0.03 . . . . . . . . . . 6374 2 176 . 1 1 31 31 HIS HA H 1 4.824 0.03 . . . . . . . . . . 6374 2 177 . 1 1 31 31 HIS HB2 H 1 3.625 0.03 . . . . . . . . . . 6374 2 178 . 1 1 31 31 HIS HB3 H 1 3.482 0.03 . . . . . . . . . . 6374 2 179 . 1 1 31 31 HIS ND1 N 15 111.13 0.5 . . . . . . . . . . 6374 2 180 . 1 1 31 31 HIS HD1 H 1 11.249 0.03 . . . . . . . . . . 6374 2 181 . 1 1 31 31 HIS HD2 H 1 7.3 0.03 . . . . . . . . . . 6374 2 182 . 1 1 31 31 HIS HE1 H 1 7.235 0.03 . . . . . . . . . . 6374 2 183 . 1 1 32 32 LEU N N 15 124.014 0.5 . . . . . . . . . . 6374 2 184 . 1 1 32 32 LEU H H 1 8.906 0.03 . . . . . . . . . . 6374 2 185 . 1 1 32 32 LEU HA H 1 3.724 0.03 . . . . . . . . . . 6374 2 186 . 1 1 32 32 LEU HB2 H 1 1.633 0.03 . . . . . . . . . . 6374 2 187 . 1 1 32 32 LEU HB3 H 1 1.484 0.03 . . . . . . . . . . 6374 2 188 . 1 1 32 32 LEU HG H 1 1.632 0.03 . . . . . . . . . . 6374 2 189 . 1 1 32 32 LEU HD11 H 1 0.564 0.03 . . . . . . . . . . 6374 2 190 . 1 1 32 32 LEU HD12 H 1 0.564 0.03 . . . . . . . . . . 6374 2 191 . 1 1 32 32 LEU HD13 H 1 0.564 0.03 . . . . . . . . . . 6374 2 192 . 1 1 32 32 LEU HD21 H 1 0.485 0.03 . . . . . . . . . . 6374 2 193 . 1 1 32 32 LEU HD22 H 1 0.485 0.03 . . . . . . . . . . 6374 2 194 . 1 1 32 32 LEU HD23 H 1 0.485 0.03 . . . . . . . . . . 6374 2 195 . 1 1 33 33 ALA N N 15 114.435 0.5 . . . . . . . . . . 6374 2 196 . 1 1 33 33 ALA H H 1 8.236 0.03 . . . . . . . . . . 6374 2 197 . 1 1 33 33 ALA HA H 1 4.243 0.03 . . . . . . . . . . 6374 2 198 . 1 1 33 33 ALA HB1 H 1 1.392 0.03 . . . . . . . . . . 6374 2 199 . 1 1 33 33 ALA HB2 H 1 1.392 0.03 . . . . . . . . . . 6374 2 200 . 1 1 33 33 ALA HB3 H 1 1.392 0.03 . . . . . . . . . . 6374 2 201 . 1 1 34 34 CYS N N 15 115.756 0.5 . . . . . . . . . . 6374 2 202 . 1 1 34 34 CYS H H 1 7.537 0.03 . . . . . . . . . . 6374 2 203 . 1 1 34 34 CYS HA H 1 4.301 0.03 . . . . . . . . . . 6374 2 204 . 1 1 34 34 CYS HB2 H 1 3.242 0.03 . . . . . . . . . . 6374 2 205 . 1 1 34 34 CYS HB3 H 1 2.96 0.03 . . . . . . . . . . 6374 2 206 . 1 1 35 35 LEU N N 15 120.711 0.5 . . . . . . . . . . 6374 2 207 . 1 1 35 35 LEU H H 1 6.711 0.03 . . . . . . . . . . 6374 2 208 . 1 1 35 35 LEU HA H 1 4.019 0.03 . . . . . . . . . . 6374 2 209 . 1 1 35 35 LEU HB2 H 1 1.74 0.03 . . . . . . . . . . 6374 2 210 . 1 1 35 35 LEU HB3 H 1 1.325 0.03 . . . . . . . . . . 6374 2 211 . 1 1 35 35 LEU HG H 1 1.807 0.03 . . . . . . . . . . 6374 2 212 . 1 1 35 35 LEU HD11 H 1 0.614 0.03 . . . . . . . . . . 6374 2 213 . 1 1 35 35 LEU HD12 H 1 0.614 0.03 . . . . . . . . . . 6374 2 214 . 1 1 35 35 LEU HD13 H 1 0.614 0.03 . . . . . . . . . . 6374 2 215 . 1 1 35 35 LEU HD21 H 1 0.359 0.03 . . . . . . . . . . 6374 2 216 . 1 1 35 35 LEU HD22 H 1 0.359 0.03 . . . . . . . . . . 6374 2 217 . 1 1 35 35 LEU HD23 H 1 0.359 0.03 . . . . . . . . . . 6374 2 218 . 1 1 36 36 SER N N 15 113.554 0.5 . . . . . . . . . . 6374 2 219 . 1 1 36 36 SER H H 1 7.878 0.03 . . . . . . . . . . 6374 2 220 . 1 1 36 36 SER HA H 1 4.66 0.03 . . . . . . . . . . 6374 2 221 . 1 1 36 36 SER HB2 H 1 3.696 0.03 . . . . . . . . . . 6374 2 222 . 1 1 36 36 SER HB3 H 1 3.575 0.03 . . . . . . . . . . 6374 2 223 . 1 1 37 37 PRO HA H 1 5.012 0.03 . . . . . . . . . . 6374 2 224 . 1 1 37 37 PRO HB2 H 1 2.362 0.03 . . . . . . . . . . 6374 2 225 . 1 1 37 37 PRO HB3 H 1 1.984 0.03 . . . . . . . . . . 6374 2 226 . 1 1 37 37 PRO HG2 H 1 1.854 0.03 . . . . . . . . . . 6374 2 227 . 1 1 37 37 PRO HG3 H 1 1.77 0.03 . . . . . . . . . . 6374 2 228 . 1 1 37 37 PRO HD2 H 1 3.586 0.03 . . . . . . . . . . 6374 2 229 . 1 1 37 37 PRO HD3 H 1 3.408 0.03 . . . . . . . . . . 6374 2 230 . 1 1 38 38 PRO HA H 1 4.22 0.03 . . . . . . . . . . 6374 2 231 . 1 1 38 38 PRO HB2 H 1 2.223 0.03 . . . . . . . . . . 6374 2 232 . 1 1 38 38 PRO HB3 H 1 1.669 0.03 . . . . . . . . . . 6374 2 233 . 1 1 38 38 PRO HG2 H 1 1.66 0.03 . . . . . . . . . . 6374 2 234 . 1 1 38 38 PRO HD2 H 1 3.65 0.03 . . . . . . . . . . 6374 2 235 . 1 1 39 39 LEU N N 15 120.931 0.5 . . . . . . . . . . 6374 2 236 . 1 1 39 39 LEU H H 1 7.3 0.03 . . . . . . . . . . 6374 2 237 . 1 1 39 39 LEU HA H 1 4.515 0.03 . . . . . . . . . . 6374 2 238 . 1 1 39 39 LEU HB2 H 1 1.392 0.03 . . . . . . . . . . 6374 2 239 . 1 1 39 39 LEU HG H 1 1.62 0.03 . . . . . . . . . . 6374 2 240 . 1 1 39 39 LEU HD11 H 1 0.601 0.03 . . . . . . . . . . 6374 2 241 . 1 1 39 39 LEU HD12 H 1 0.601 0.03 . . . . . . . . . . 6374 2 242 . 1 1 39 39 LEU HD13 H 1 0.601 0.03 . . . . . . . . . . 6374 2 243 . 1 1 39 39 LEU HD21 H 1 0.762 0.03 . . . . . . . . . . 6374 2 244 . 1 1 39 39 LEU HD22 H 1 0.762 0.03 . . . . . . . . . . 6374 2 245 . 1 1 39 39 LEU HD23 H 1 0.762 0.03 . . . . . . . . . . 6374 2 246 . 1 1 40 40 ARG N N 15 118.619 0.5 . . . . . . . . . . 6374 2 247 . 1 1 40 40 ARG H H 1 8.605 0.03 . . . . . . . . . . 6374 2 248 . 1 1 40 40 ARG HA H 1 4.167 0.03 . . . . . . . . . . 6374 2 249 . 1 1 40 40 ARG HB2 H 1 1.78 0.03 . . . . . . . . . . 6374 2 250 . 1 1 40 40 ARG HG2 H 1 1.539 0.03 . . . . . . . . . . 6374 2 251 . 1 1 40 40 ARG HD2 H 1 3.094 0.03 . . . . . . . . . . 6374 2 252 . 1 1 41 41 GLU N N 15 115.316 0.5 . . . . . . . . . . 6374 2 253 . 1 1 41 41 GLU H H 1 7.263 0.03 . . . . . . . . . . 6374 2 254 . 1 1 41 41 GLU HA H 1 4.408 0.03 . . . . . . . . . . 6374 2 255 . 1 1 41 41 GLU HB2 H 1 1.727 0.03 . . . . . . . . . . 6374 2 256 . 1 1 41 41 GLU HG2 H 1 1.941 0.03 . . . . . . . . . . 6374 2 257 . 1 1 42 42 ILE N N 15 124.124 0.5 . . . . . . . . . . 6374 2 258 . 1 1 42 42 ILE H H 1 8.55 0.03 . . . . . . . . . . 6374 2 259 . 1 1 42 42 ILE HA H 1 3.821 0.03 . . . . . . . . . . 6374 2 260 . 1 1 42 42 ILE HB H 1 1.661 0.03 . . . . . . . . . . 6374 2 261 . 1 1 42 42 ILE HG21 H 1 0.841 0.03 . . . . . . . . . . 6374 2 262 . 1 1 42 42 ILE HG22 H 1 0.841 0.03 . . . . . . . . . . 6374 2 263 . 1 1 42 42 ILE HG23 H 1 0.841 0.03 . . . . . . . . . . 6374 2 264 . 1 1 42 42 ILE HG12 H 1 1.507 0.03 . . . . . . . . . . 6374 2 265 . 1 1 42 42 ILE HG13 H 1 0.956 0.03 . . . . . . . . . . 6374 2 266 . 1 1 42 42 ILE HD11 H 1 0.762 0.03 . . . . . . . . . . 6374 2 267 . 1 1 42 42 ILE HD12 H 1 0.762 0.03 . . . . . . . . . . 6374 2 268 . 1 1 42 42 ILE HD13 H 1 0.762 0.03 . . . . . . . . . . 6374 2 269 . 1 1 43 43 PRO HA H 1 4.421 0.03 . . . . . . . . . . 6374 2 270 . 1 1 43 43 PRO HB2 H 1 2.223 0.03 . . . . . . . . . . 6374 2 271 . 1 1 43 43 PRO HB3 H 1 1.888 0.03 . . . . . . . . . . 6374 2 272 . 1 1 43 43 PRO HG2 H 1 1.593 0.03 . . . . . . . . . . 6374 2 273 . 1 1 43 43 PRO HD2 H 1 3.563 0.03 . . . . . . . . . . 6374 2 274 . 1 1 43 43 PRO HD3 H 1 3.322 0.03 . . . . . . . . . . 6374 2 275 . 1 1 44 44 SER N N 15 116.527 0.5 . . . . . . . . . . 6374 2 276 . 1 1 44 44 SER H H 1 8.436 0.03 . . . . . . . . . . 6374 2 277 . 1 1 44 44 SER HA H 1 4.408 0.03 . . . . . . . . . . 6374 2 278 . 1 1 44 44 SER HB2 H 1 3.845 0.03 . . . . . . . . . . 6374 2 279 . 1 1 45 45 GLY N N 15 111.573 0.5 . . . . . . . . . . 6374 2 280 . 1 1 45 45 GLY H H 1 8.296 0.03 . . . . . . . . . . 6374 2 281 . 1 1 45 45 GLY HA2 H 1 3.966 0.03 . . . . . . . . . . 6374 2 282 . 1 1 46 46 THR N N 15 115.536 0.5 . . . . . . . . . . 6374 2 283 . 1 1 46 46 THR H H 1 8.12 0.03 . . . . . . . . . . 6374 2 284 . 1 1 46 46 THR HA H 1 4.006 0.03 . . . . . . . . . . 6374 2 285 . 1 1 46 46 THR HB H 1 3.724 0.03 . . . . . . . . . . 6374 2 286 . 1 1 46 46 THR HG21 H 1 1.124 0.03 . . . . . . . . . . 6374 2 287 . 1 1 46 46 THR HG22 H 1 1.124 0.03 . . . . . . . . . . 6374 2 288 . 1 1 46 46 THR HG23 H 1 1.124 0.03 . . . . . . . . . . 6374 2 289 . 1 1 47 47 TRP N N 15 129.079 0.5 . . . . . . . . . . 6374 2 290 . 1 1 47 47 TRP H H 1 8.913 0.03 . . . . . . . . . . 6374 2 291 . 1 1 47 47 TRP HA H 1 4.341 0.03 . . . . . . . . . . 6374 2 292 . 1 1 47 47 TRP HB2 H 1 3.135 0.03 . . . . . . . . . . 6374 2 293 . 1 1 47 47 TRP HB3 H 1 2.947 0.03 . . . . . . . . . . 6374 2 294 . 1 1 47 47 TRP NE1 N 15 128.308 0.5 . . . . . . . . . . 6374 2 295 . 1 1 47 47 TRP HD1 H 1 7.144 0.03 . . . . . . . . . . 6374 2 296 . 1 1 47 47 TRP HE3 H 1 7.279 0.03 . . . . . . . . . . 6374 2 297 . 1 1 47 47 TRP HE1 H 1 9.706 0.03 . . . . . . . . . . 6374 2 298 . 1 1 47 47 TRP HZ3 H 1 6.636 0.03 . . . . . . . . . . 6374 2 299 . 1 1 47 47 TRP HZ2 H 1 7.049 0.03 . . . . . . . . . . 6374 2 300 . 1 1 47 47 TRP HH2 H 1 6.209 0.03 . . . . . . . . . . 6374 2 301 . 1 1 48 48 ARG N N 15 124.234 0.5 . . . . . . . . . . 6374 2 302 . 1 1 48 48 ARG H H 1 6.68 0.03 . . . . . . . . . . 6374 2 303 . 1 1 48 48 ARG HA H 1 5.078 0.03 . . . . . . . . . . 6374 2 304 . 1 1 48 48 ARG HB2 H 1 1.217 0.03 . . . . . . . . . . 6374 2 305 . 1 1 48 48 ARG HG2 H 1 1.437 0.03 . . . . . . . . . . 6374 2 306 . 1 1 48 48 ARG HG3 H 1 1.27 0.03 . . . . . . . . . . 6374 2 307 . 1 1 48 48 ARG HD2 H 1 2.853 0.03 . . . . . . . . . . 6374 2 308 . 1 1 49 49 CYS N N 15 125.005 0.5 . . . . . . . . . . 6374 2 309 . 1 1 49 49 CYS H H 1 9.204 0.03 . . . . . . . . . . 6374 2 310 . 1 1 49 49 CYS HA H 1 3.657 0.03 . . . . . . . . . . 6374 2 311 . 1 1 49 49 CYS HB2 H 1 3.161 0.03 . . . . . . . . . . 6374 2 312 . 1 1 49 49 CYS HB3 H 1 2.625 0.03 . . . . . . . . . . 6374 2 313 . 1 1 50 50 SER N N 15 112.013 0.5 . . . . . . . . . . 6374 2 314 . 1 1 50 50 SER H H 1 8.192 0.03 . . . . . . . . . . 6374 2 315 . 1 1 50 50 SER HA H 1 3.939 0.03 . . . . . . . . . . 6374 2 316 . 1 1 50 50 SER HB2 H 1 3.832 0.03 . . . . . . . . . . 6374 2 317 . 1 1 51 51 SER N N 15 119.28 0.5 . . . . . . . . . . 6374 2 318 . 1 1 51 51 SER H H 1 8.178 0.03 . . . . . . . . . . 6374 2 319 . 1 1 51 51 SER HA H 1 4.262 0.03 . . . . . . . . . . 6374 2 320 . 1 1 51 51 SER HB2 H 1 3.898 0.03 . . . . . . . . . . 6374 2 321 . 1 1 52 52 CYS N N 15 126.106 0.5 . . . . . . . . . . 6374 2 322 . 1 1 52 52 CYS H H 1 8.365 0.03 . . . . . . . . . . 6374 2 323 . 1 1 52 52 CYS HA H 1 3.844 0.03 . . . . . . . . . . 6374 2 324 . 1 1 52 52 CYS HB2 H 1 2.67 0.03 . . . . . . . . . . 6374 2 325 . 1 1 53 53 LEU N N 15 120.051 0.5 . . . . . . . . . . 6374 2 326 . 1 1 53 53 LEU H H 1 8.033 0.03 . . . . . . . . . . 6374 2 327 . 1 1 53 53 LEU HA H 1 3.951 0.03 . . . . . . . . . . 6374 2 328 . 1 1 53 53 LEU HB2 H 1 1.455 0.03 . . . . . . . . . . 6374 2 329 . 1 1 53 53 LEU HG H 1 1.334 0.03 . . . . . . . . . . 6374 2 330 . 1 1 53 53 LEU HD21 H 1 0.605 0.03 . . . . . . . . . . 6374 2 331 . 1 1 53 53 LEU HD22 H 1 0.605 0.03 . . . . . . . . . . 6374 2 332 . 1 1 53 53 LEU HD23 H 1 0.605 0.03 . . . . . . . . . . 6374 2 333 . 1 1 54 54 GLN N N 15 118.509 0.5 . . . . . . . . . . 6374 2 334 . 1 1 54 54 GLN H H 1 7.626 0.03 . . . . . . . . . . 6374 2 335 . 1 1 54 54 GLN HA H 1 4.086 0.03 . . . . . . . . . . 6374 2 336 . 1 1 54 54 GLN HB2 H 1 2.022 0.03 . . . . . . . . . . 6374 2 337 . 1 1 54 54 GLN HG2 H 1 2.346 0.03 . . . . . . . . . . 6374 2 338 . 1 1 55 55 ALA N N 15 122.693 0.5 . . . . . . . . . . 6374 2 339 . 1 1 55 55 ALA H H 1 7.679 0.03 . . . . . . . . . . 6374 2 340 . 1 1 55 55 ALA HA H 1 4.248 0.03 . . . . . . . . . . 6374 2 341 . 1 1 55 55 ALA HB1 H 1 1.361 0.03 . . . . . . . . . . 6374 2 342 . 1 1 55 55 ALA HB2 H 1 1.361 0.03 . . . . . . . . . . 6374 2 343 . 1 1 55 55 ALA HB3 H 1 1.361 0.03 . . . . . . . . . . 6374 2 344 . 1 1 56 56 THR N N 15 112.894 0.5 . . . . . . . . . . 6374 2 345 . 1 1 56 56 THR H H 1 7.839 0.03 . . . . . . . . . . 6374 2 346 . 1 1 56 56 THR HA H 1 4.086 0.03 . . . . . . . . . . 6374 2 347 . 1 1 56 56 THR HB H 1 4.03 0.03 . . . . . . . . . . 6374 2 348 . 1 1 56 56 THR HG21 H 1 1.145 0.03 . . . . . . . . . . 6374 2 349 . 1 1 56 56 THR HG22 H 1 1.145 0.03 . . . . . . . . . . 6374 2 350 . 1 1 56 56 THR HG23 H 1 1.145 0.03 . . . . . . . . . . 6374 2 351 . 1 1 57 57 VAL N N 15 122.913 0.5 . . . . . . . . . . 6374 2 352 . 1 1 57 57 VAL H H 1 7.975 0.03 . . . . . . . . . . 6374 2 353 . 1 1 57 57 VAL HA H 1 3.992 0.03 . . . . . . . . . . 6374 2 354 . 1 1 57 57 VAL HB H 1 1.982 0.03 . . . . . . . . . . 6374 2 355 . 1 1 57 57 VAL HG21 H 1 0.835 0.03 . . . . . . . . . . 6374 2 356 . 1 1 57 57 VAL HG22 H 1 0.835 0.03 . . . . . . . . . . 6374 2 357 . 1 1 57 57 VAL HG23 H 1 0.835 0.03 . . . . . . . . . . 6374 2 358 . 1 1 58 58 GLN N N 15 124.345 0.5 . . . . . . . . . . 6374 2 359 . 1 1 58 58 GLN H H 1 8.334 0.03 . . . . . . . . . . 6374 2 360 . 1 1 58 58 GLN HA H 1 4.221 0.03 . . . . . . . . . . 6374 2 361 . 1 1 58 58 GLN HB2 H 1 1.901 0.03 . . . . . . . . . . 6374 2 362 . 1 1 58 58 GLN HG2 H 1 2.225 0.03 . . . . . . . . . . 6374 2 363 . 1 1 59 59 GLU N N 15 123.361 0.5 . . . . . . . . . . 6374 2 364 . 1 1 59 59 GLU H H 1 8.394 0.03 . . . . . . . . . . 6374 2 365 . 1 1 59 59 GLU HA H 1 4.208 0.03 . . . . . . . . . . 6374 2 366 . 1 1 59 59 GLU HB2 H 1 1.901 0.03 . . . . . . . . . . 6374 2 367 . 1 1 59 59 GLU HG2 H 1 2.117 0.03 . . . . . . . . . . 6374 2 368 . 1 1 60 60 VAL N N 15 122.142 0.5 . . . . . . . . . . 6374 2 369 . 1 1 60 60 VAL H H 1 8.217 0.03 . . . . . . . . . . 6374 2 370 . 1 1 60 60 VAL HA H 1 3.992 0.03 . . . . . . . . . . 6374 2 371 . 1 1 60 60 VAL HB H 1 1.955 0.03 . . . . . . . . . . 6374 2 372 . 1 1 60 60 VAL HG21 H 1 0.821 0.03 . . . . . . . . . . 6374 2 373 . 1 1 60 60 VAL HG22 H 1 0.821 0.03 . . . . . . . . . . 6374 2 374 . 1 1 60 60 VAL HG23 H 1 0.821 0.03 . . . . . . . . . . 6374 2 375 . 1 1 61 61 GLN N N 15 125.776 0.5 . . . . . . . . . . 6374 2 376 . 1 1 61 61 GLN H H 1 8.427 0.03 . . . . . . . . . . 6374 2 377 . 1 1 61 61 GLN HA H 1 4.537 0.03 . . . . . . . . . . 6374 2 378 . 1 1 61 61 GLN HB2 H 1 2.012 0.03 . . . . . . . . . . 6374 2 379 . 1 1 61 61 GLN HB3 H 1 1.853 0.03 . . . . . . . . . . 6374 2 380 . 1 1 61 61 GLN HG2 H 1 2.31 0.03 . . . . . . . . . . 6374 2 381 . 1 1 62 62 PRO HA H 1 4.316 0.03 . . . . . . . . . . 6374 2 382 . 1 1 62 62 PRO HB2 H 1 2.211 0.03 . . . . . . . . . . 6374 2 383 . 1 1 62 62 PRO HG2 H 1 1.931 0.03 . . . . . . . . . . 6374 2 384 . 1 1 62 62 PRO HG3 H 1 1.791 0.03 . . . . . . . . . . 6374 2 385 . 1 1 62 62 PRO HD2 H 1 3.709 0.03 . . . . . . . . . . 6374 2 386 . 1 1 62 62 PRO HD3 H 1 3.574 0.03 . . . . . . . . . . 6374 2 387 . 1 1 63 63 ARG N N 15 122.142 0.5 . . . . . . . . . . 6374 2 388 . 1 1 63 63 ARG H H 1 8.404 0.03 . . . . . . . . . . 6374 2 389 . 1 1 63 63 ARG HA H 1 4.208 0.03 . . . . . . . . . . 6374 2 390 . 1 1 63 63 ARG HB2 H 1 1.712 0.03 . . . . . . . . . . 6374 2 391 . 1 1 63 63 ARG HG2 H 1 1.657 0.03 . . . . . . . . . . 6374 2 392 . 1 1 63 63 ARG HG3 H 1 1.576 0.03 . . . . . . . . . . 6374 2 393 . 1 1 63 63 ARG HD2 H 1 3.102 0.03 . . . . . . . . . . 6374 2 394 . 1 1 64 64 ALA N N 15 126.547 0.5 . . . . . . . . . . 6374 2 395 . 1 1 64 64 ALA H H 1 8.411 0.03 . . . . . . . . . . 6374 2 396 . 1 1 64 64 ALA HA H 1 4.235 0.03 . . . . . . . . . . 6374 2 397 . 1 1 64 64 ALA HB1 H 1 1.28 0.03 . . . . . . . . . . 6374 2 398 . 1 1 64 64 ALA HB2 H 1 1.28 0.03 . . . . . . . . . . 6374 2 399 . 1 1 64 64 ALA HB3 H 1 1.28 0.03 . . . . . . . . . . 6374 2 400 . 1 1 65 65 GLU N N 15 120.821 0.5 . . . . . . . . . . 6374 2 401 . 1 1 65 65 GLU H H 1 8.373 0.03 . . . . . . . . . . 6374 2 402 . 1 1 65 65 GLU HA H 1 4.181 0.03 . . . . . . . . . . 6374 2 403 . 1 1 65 65 GLU HB2 H 1 1.874 0.03 . . . . . . . . . . 6374 2 404 . 1 1 65 65 GLU HG2 H 1 2.157 0.03 . . . . . . . . . . 6374 2 405 . 1 1 66 66 GLU N N 15 126.987 0.5 . . . . . . . . . . 6374 2 406 . 1 1 66 66 GLU H H 1 7.941 0.03 . . . . . . . . . . 6374 2 407 . 1 1 66 66 GLU HA H 1 4.188 0.03 . . . . . . . . . . 6374 2 408 . 1 1 66 66 GLU HB2 H 1 1.682 0.03 . . . . . . . . . . 6374 2 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_residual_dipolar_couplings_set_1 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode residual_dipolar_couplings_set_1 _RDC_list.Entry_ID 6374 _RDC_list.ID 1 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $Ex-cond_1 _RDC_list.Spectrometer_frequency_1H . _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID . . 1 $sample_1 . 6374 1 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 1DHN . 1 1 7 7 ASN H H 1 . . 1 1 7 7 ASN N N 15 . -3.19 . . . . . . . . . . . . . . 6374 1 2 1DHN . 1 1 8 8 GLU H H 1 . . 1 1 8 8 GLU N N 15 . -5.8 . . . . . . . . . . . . . . 6374 1 3 1DHN . 1 1 9 9 ASP H H 1 . . 1 1 9 9 ASP N N 15 . 6.37 . . . . . . . . . . . . . . 6374 1 4 1DHN . 1 1 10 10 GLU H H 1 . . 1 1 10 10 GLU N N 15 . -16.69 . . . . . . . . . . . . . . 6374 1 5 1DHN . 1 1 11 11 CYS H H 1 . . 1 1 11 11 CYS N N 15 . -19.17 . . . . . . . . . . . . . . 6374 1 6 1DHN . 1 1 12 12 ALA H H 1 . . 1 1 12 12 ALA N N 15 . 2.83 . . . . . . . . . . . . . . 6374 1 7 1DHN . 1 1 13 13 VAL H H 1 . . 1 1 13 13 VAL N N 15 . 0.76 . . . . . . . . . . . . . . 6374 1 8 1DHN . 1 1 14 14 CYS H H 1 . . 1 1 14 14 CYS N N 15 . 4.65 . . . . . . . . . . . . . . 6374 1 9 1DHN . 1 1 15 15 ARG H H 1 . . 1 1 15 15 ARG N N 15 . -15.89 . . . . . . . . . . . . . . 6374 1 10 1DHN . 1 1 17 17 GLY H H 1 . . 1 1 17 17 GLY N N 15 . -16.74 . . . . . . . . . . . . . . 6374 1 11 1DHN . 1 1 18 18 GLY H H 1 . . 1 1 18 18 GLY N N 15 . 15.17 . . . . . . . . . . . . . . 6374 1 12 1DHN . 1 1 19 19 GLU H H 1 . . 1 1 19 19 GLU N N 15 . 7.67 . . . . . . . . . . . . . . 6374 1 13 1DHN . 1 1 20 20 LEU H H 1 . . 1 1 20 20 LEU N N 15 . 11.55 . . . . . . . . . . . . . . 6374 1 14 1DHN . 1 1 21 21 ILE H H 1 . . 1 1 21 21 ILE N N 15 . 7.94 . . . . . . . . . . . . . . 6374 1 15 1DHN . 1 1 22 22 CYS H H 1 . . 1 1 22 22 CYS N N 15 . 6.79 . . . . . . . . . . . . . . 6374 1 16 1DHN . 1 1 23 23 CYS H H 1 . . 1 1 23 23 CYS N N 15 . 1.08 . . . . . . . . . . . . . . 6374 1 17 1DHN . 1 1 24 24 ASP H H 1 . . 1 1 24 24 ASP N N 15 . 14.31 . . . . . . . . . . . . . . 6374 1 18 1DHN . 1 1 25 25 GLY H H 1 . . 1 1 25 25 GLY N N 15 . -9.58 . . . . . . . . . . . . . . 6374 1 19 1DHN . 1 1 26 26 CYS H H 1 . . 1 1 26 26 CYS N N 15 . -2.68 . . . . . . . . . . . . . . 6374 1 20 1DHN . 1 1 28 28 ARG H H 1 . . 1 1 28 28 ARG N N 15 . -19.25 . . . . . . . . . . . . . . 6374 1 21 1DHN . 1 1 29 29 ALA H H 1 . . 1 1 29 29 ALA N N 15 . -4.31 . . . . . . . . . . . . . . 6374 1 22 1DHN . 1 1 30 30 PHE H H 1 . . 1 1 30 30 PHE N N 15 . 5.06 . . . . . . . . . . . . . . 6374 1 23 1DHN . 1 1 31 31 HIS H H 1 . . 1 1 31 31 HIS N N 15 . 3.51 . . . . . . . . . . . . . . 6374 1 24 1DHN . 1 1 32 32 LEU H H 1 . . 1 1 32 32 LEU N N 15 . -6.42 . . . . . . . . . . . . . . 6374 1 25 1DHN . 1 1 33 33 ALA H H 1 . . 1 1 33 33 ALA N N 15 . -10.18 . . . . . . . . . . . . . . 6374 1 26 1DHN . 1 1 34 34 CYS H H 1 . . 1 1 34 34 CYS N N 15 . 10.99 . . . . . . . . . . . . . . 6374 1 27 1DHN . 1 1 35 35 LEU H H 1 . . 1 1 35 35 LEU N N 15 . -2.68 . . . . . . . . . . . . . . 6374 1 28 1DHN . 1 1 36 36 SER H H 1 . . 1 1 36 36 SER N N 15 . 4.45 . . . . . . . . . . . . . . 6374 1 29 1DHN . 1 1 39 39 LEU H H 1 . . 1 1 39 39 LEU N N 15 . 3.22 . . . . . . . . . . . . . . 6374 1 30 1DHN . 1 1 40 40 ARG H H 1 . . 1 1 40 40 ARG N N 15 . -13.58 . . . . . . . . . . . . . . 6374 1 31 1DHN . 1 1 41 41 GLU H H 1 . . 1 1 41 41 GLU N N 15 . -17.12 . . . . . . . . . . . . . . 6374 1 32 1DHN . 1 1 42 42 ILE H H 1 . . 1 1 42 42 ILE N N 15 . -14.87 . . . . . . . . . . . . . . 6374 1 33 1DHN . 1 1 46 46 THR H H 1 . . 1 1 46 46 THR N N 15 . -5.61 . . . . . . . . . . . . . . 6374 1 34 1DHN . 1 1 47 47 TRP H H 1 . . 1 1 47 47 TRP N N 15 . 4.84 . . . . . . . . . . . . . . 6374 1 35 1DHN . 1 1 48 48 ARG H H 1 . . 1 1 48 48 ARG N N 15 . 13.15 . . . . . . . . . . . . . . 6374 1 36 1DHN . 1 1 49 49 CYS H H 1 . . 1 1 49 49 CYS N N 15 . 16.36 . . . . . . . . . . . . . . 6374 1 37 1DHN . 1 1 50 50 SER H H 1 . . 1 1 50 50 SER N N 15 . -17.43 . . . . . . . . . . . . . . 6374 1 38 1DHN . 1 1 51 51 SER H H 1 . . 1 1 51 51 SER N N 15 . -18.78 . . . . . . . . . . . . . . 6374 1 39 1DHN . 1 1 52 52 CYS H H 1 . . 1 1 52 52 CYS N N 15 . -19.68 . . . . . . . . . . . . . . 6374 1 40 1DHN . 1 1 53 53 LEU H H 1 . . 1 1 53 53 LEU N N 15 . -14.95 . . . . . . . . . . . . . . 6374 1 41 1DHN . 1 1 54 54 GLN H H 1 . . 1 1 54 54 GLN N N 15 . -11.95 . . . . . . . . . . . . . . 6374 1 42 1DHN . 1 1 55 55 ALA H H 1 . . 1 1 55 55 ALA N N 15 . -9.26 . . . . . . . . . . . . . . 6374 1 stop_ save_