data_17285 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17285 _Entry.Title ; Structure of the first PHD finger (PHD1) from CHD4 (Mi2b). ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-11-08 _Entry.Accession_date 2010-11-08 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Robyn Mansfield . E. . 17285 2 Ann Kwan . H. . 17285 3 Joel Mackay . P. . 17285 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17285 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 215 17285 '15N chemical shifts' 55 17285 '1H chemical shifts' 372 17285 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2011-04-08 2010-11-08 update BMRB 'update entry citation' 17285 1 . . 2011-02-01 2010-11-08 original author 'original release' 17285 stop_ save_ ############### # Citations # ############### save_citation1 _Citation.Sf_category citations _Citation.Sf_framecode citation1 _Citation.Entry_ID 17285 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21278251 _Citation.Full_citation . _Citation.Title 'Plant Homeodomain (PHD) Fingers of CHD4 Are Histone H3-binding Modules with Preference for Unmodified H3K4 and Methylated H3K9.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 286 _Citation.Journal_issue 13 _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 11779 _Citation.Page_last 11791 _Citation.Year 2011 _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 Robyn Mansfield . E. . 17285 1 2 Catherine Musselman . A. . 17285 1 3 Ann Kwan . H. . 17285 1 4 Samuel Oliver . S. . 17285 1 5 Adam Garske . L. . 17285 1 6 Foteini Davrazou . . . 17285 1 7 John Denu . M. . 17285 1 8 Tatiana Kutateladze . G. . 17285 1 9 Joel Mackay . P. . 17285 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17285 _Assembly.ID 1 _Assembly.Name 'PHD finger (PHD1) from CHD4 (Mi2b)' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 CHD4_PHD1 1 $CHD4_PHD1 A . yes native no no . . . 17285 1 2 'ZINC ION_1' 2 $ZN B . no native no no . . . 17285 1 3 'ZINC ION_2' 2 $ZN C . no native no no . . . 17285 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 14 14 SG . 2 'ZINC ION_1' 2 ZN 1 1 ZN . . . . . . . . . . 17285 1 2 coordination single . 1 . 1 CYS 17 17 SG . 2 'ZINC ION_1' 2 ZN 1 1 ZN . . . . . . . . . . 17285 1 3 coordination single . 1 . 1 HIS 34 34 ND1 . 2 'ZINC ION_1' 2 ZN 1 1 ZN . . . . . . . . . . 17285 1 4 coordination single . 1 . 1 CYS 37 37 SG . 2 'ZINC ION_1' 2 ZN 1 1 ZN . . . . . . . . . . 17285 1 5 coordination single . 1 . 1 CYS 26 26 SG . 3 'ZINC ION_2' 2 ZN 1 1 ZN . . . . . . . . . . 17285 1 6 coordination single . 1 . 1 CYS 29 29 SG . 3 'ZINC ION_2' 2 ZN 1 1 ZN . . . . . . . . . . 17285 1 7 coordination single . 1 . 1 CYS 52 52 SG . 3 'ZINC ION_2' 2 ZN 1 1 ZN . . . . . . . . . . 17285 1 8 coordination single . 1 . 1 CYS 55 55 SG . 3 'ZINC ION_2' 2 ZN 1 1 ZN . . . . . . . . . . 17285 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CHD4_PHD1 _Entity.Sf_category entity _Entity.Sf_framecode CHD4_PHD1 _Entity.Entry_ID 17285 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CHD4_PHD1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPLGSYETDHQDYCEVCQQG GEIILCDTCPRAYHMVCLDP DMEKAPEGKWSCPHCEKEGI Q ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Sequence numbering is 359 less than the numbering in the CHD4 protein sequence.' _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 61 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6852.700 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2L5U . "Structure Of The First Phd Finger (Phd1) From Chd4 (Mi2b)" . . . . . 100.00 61 100.00 100.00 4.72e-36 . . . . 17285 1 2 no GB ELK10391 . "Chromodomain-helicase-DNA-binding protein 4 [Pteropus alecto]" . . . . . 91.80 1854 100.00 100.00 7.80e-34 . . . . 17285 1 3 no GB KKF19752 . "Chromodomain-helicase-DNA-binding protein 4, partial [Larimichthys crocea]" . . . . . 81.97 307 100.00 100.00 4.13e-29 . . . . 17285 1 4 no REF XP_010589128 . "PREDICTED: LOW QUALITY PROTEIN: chromodomain-helicase-DNA-binding protein 4 [Loxodonta africana]" . . . . . 81.97 1890 100.00 100.00 7.48e-30 . . . . 17285 1 5 no REF XP_011483884 . "PREDICTED: chromodomain-helicase-DNA-binding protein 4 [Oryzias latipes]" . . . . . 81.97 1910 100.00 100.00 2.95e-30 . . . . 17285 1 6 no REF XP_014057096 . "PREDICTED: chromodomain-helicase-DNA-binding protein 4-like, partial [Salmo salar]" . . . . . 91.80 485 100.00 100.00 5.16e-33 . . . . 17285 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 . 17285 1 2 . PRO . 17285 1 3 . LEU . 17285 1 4 . GLY . 17285 1 5 . SER . 17285 1 6 . TYR . 17285 1 7 . GLU . 17285 1 8 . THR . 17285 1 9 . ASP . 17285 1 10 . HIS . 17285 1 11 . GLN . 17285 1 12 . ASP . 17285 1 13 . TYR . 17285 1 14 . CYS . 17285 1 15 . GLU . 17285 1 16 . VAL . 17285 1 17 . CYS . 17285 1 18 . GLN . 17285 1 19 . GLN . 17285 1 20 . GLY . 17285 1 21 . GLY . 17285 1 22 . GLU . 17285 1 23 . ILE . 17285 1 24 . ILE . 17285 1 25 . LEU . 17285 1 26 . CYS . 17285 1 27 . ASP . 17285 1 28 . THR . 17285 1 29 . CYS . 17285 1 30 . PRO . 17285 1 31 . ARG . 17285 1 32 . ALA . 17285 1 33 . TYR . 17285 1 34 . HIS . 17285 1 35 . MET . 17285 1 36 . VAL . 17285 1 37 . CYS . 17285 1 38 . LEU . 17285 1 39 . ASP . 17285 1 40 . PRO . 17285 1 41 . ASP . 17285 1 42 . MET . 17285 1 43 . GLU . 17285 1 44 . LYS . 17285 1 45 . ALA . 17285 1 46 . PRO . 17285 1 47 . GLU . 17285 1 48 . GLY . 17285 1 49 . LYS . 17285 1 50 . TRP . 17285 1 51 . SER . 17285 1 52 . CYS . 17285 1 53 . PRO . 17285 1 54 . HIS . 17285 1 55 . CYS . 17285 1 56 . GLU . 17285 1 57 . LYS . 17285 1 58 . GLU . 17285 1 59 . GLY . 17285 1 60 . ILE . 17285 1 61 . GLN . 17285 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 17285 1 . PRO 2 2 17285 1 . LEU 3 3 17285 1 . GLY 4 4 17285 1 . SER 5 5 17285 1 . TYR 6 6 17285 1 . GLU 7 7 17285 1 . THR 8 8 17285 1 . ASP 9 9 17285 1 . HIS 10 10 17285 1 . GLN 11 11 17285 1 . ASP 12 12 17285 1 . TYR 13 13 17285 1 . CYS 14 14 17285 1 . GLU 15 15 17285 1 . VAL 16 16 17285 1 . CYS 17 17 17285 1 . GLN 18 18 17285 1 . GLN 19 19 17285 1 . GLY 20 20 17285 1 . GLY 21 21 17285 1 . GLU 22 22 17285 1 . ILE 23 23 17285 1 . ILE 24 24 17285 1 . LEU 25 25 17285 1 . CYS 26 26 17285 1 . ASP 27 27 17285 1 . THR 28 28 17285 1 . CYS 29 29 17285 1 . PRO 30 30 17285 1 . ARG 31 31 17285 1 . ALA 32 32 17285 1 . TYR 33 33 17285 1 . HIS 34 34 17285 1 . MET 35 35 17285 1 . VAL 36 36 17285 1 . CYS 37 37 17285 1 . LEU 38 38 17285 1 . ASP 39 39 17285 1 . PRO 40 40 17285 1 . ASP 41 41 17285 1 . MET 42 42 17285 1 . GLU 43 43 17285 1 . LYS 44 44 17285 1 . ALA 45 45 17285 1 . PRO 46 46 17285 1 . GLU 47 47 17285 1 . GLY 48 48 17285 1 . LYS 49 49 17285 1 . TRP 50 50 17285 1 . SER 51 51 17285 1 . CYS 52 52 17285 1 . PRO 53 53 17285 1 . HIS 54 54 17285 1 . CYS 55 55 17285 1 . GLU 56 56 17285 1 . LYS 57 57 17285 1 . GLU 58 58 17285 1 . GLY 59 59 17285 1 . ILE 60 60 17285 1 . GLN 61 61 17285 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 17285 _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 no _Entity.Thiol_state 'not present' _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 . 17285 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 17285 _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 $CHD4_PHD1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . chd4 . . . . 17285 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 17285 _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 $CHD4_PHD1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pGEX-6PE . . . 'pGEX-6PE is an edited version of pGEX-2T which contains an HRV3C protease cleavage site.' . . 17285 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 17285 _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 . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _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 no _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 Tue Jun 9 16:52:42 2009 ; _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=1/Zn/q+2 InChI InChI 1.02b 17285 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 17285 ZN [Zn++] SMILES CACTVS 3.341 17285 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 17285 ZN [Zn+2] SMILES ACDLabs 10.04 17285 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 17285 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17285 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 17285 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17285 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 . . . . . . . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 . . 17285 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_double_labelled _Sample.Sf_category sample _Sample.Sf_framecode double_labelled _Sample.Entry_ID 17285 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'CHD4 PHD1' '[U-100% 13C; U-100% 15N]' . . 1 $CHD4_PHD1 . . 0.7 . . mM . . . . 17285 1 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 17285 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17285 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 17285 1 5 DSS 'natural abundance' . . . . . . 20 . . uM . . . . 17285 1 6 H2O 'natural abundance' . . . . . . 93 . . % . . . . 17285 1 7 D2O 'natural abundance' . . . . . . 7 . . % . . . . 17285 1 stop_ save_ save_unlabelled _Sample.Sf_category sample _Sample.Sf_framecode unlabelled _Sample.Entry_ID 17285 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'CHD4 PHD1' 'natural abundance' . . 1 $CHD4_PHD1 . . 1 . . mM . . . . 17285 2 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 17285 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17285 2 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 17285 2 5 DSS 'natural abundance' . . . . . . 20 . . uM . . . . 17285 2 6 H2O 'natural abundance' . . . . . . 93 . . % . . . . 17285 2 7 D2O 'natural abundance' . . . . . . 7 . . % . . . . 17285 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17285 _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' 60 . mM 17285 1 pH 7.5 . pH 17285 1 pressure 1 . atm 17285 1 temperature 298 . K 17285 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17285 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17285 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17285 1 processing 17285 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17285 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17285 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17285 2 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 17285 _Software.ID 3 _Software.Name ARIA _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 17285 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17285 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 17285 _Software.ID 4 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 17285 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'dihedral angles from chemical shifts' 17285 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17285 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17285 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 600 . . . 17285 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 17285 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $unlabelled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17285 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $double_labelled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17285 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $double_labelled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17285 1 4 '3D HNCA' no . . . . . . . . . . 1 $double_labelled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17285 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $double_labelled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17285 1 6 '3D HNCACB' no . . . . . . . . . . 1 $double_labelled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17285 1 7 '3D HNHA' no . . . . . . . . . . 1 $double_labelled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17285 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $double_labelled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17285 1 9 '3D HNCO' no . . . . . . . . . . 1 $double_labelled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17285 1 10 '3D HN(CA)CO' no . . . . . . . . . . 1 $double_labelled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17285 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $double_labelled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17285 1 12 '3D HNHB' no . . . . . . . . . . 1 $double_labelled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17285 1 13 '2D (HB)CB(CGCD)HD' no . . . . . . . . . . 1 $double_labelled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17285 1 14 '2D (HB)CB(CGCDCE)HE' no . . . . . . . . . . 1 $double_labelled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17285 1 15 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $double_labelled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17285 1 16 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $unlabelled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17285 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17285 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 17285 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17285 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17285 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17285 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . 17285 1 2 '2D 1H-15N HSQC' . . . 17285 1 3 '2D 1H-13C HSQC' . . . 17285 1 4 '3D HNCA' . . . 17285 1 5 '3D CBCA(CO)NH' . . . 17285 1 6 '3D HNCACB' . . . 17285 1 7 '3D HNHA' . . . 17285 1 8 '3D HBHA(CO)NH' . . . 17285 1 9 '3D HNCO' . . . 17285 1 10 '3D HN(CA)CO' . . . 17285 1 11 '3D HCCH-TOCSY' . . . 17285 1 13 '2D (HB)CB(CGCD)HD' . . . 17285 1 14 '2D (HB)CB(CGCDCE)HE' . . . 17285 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $SPARKY . . 17285 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 5 5 SER H H 1 8.098 0.001 . 1 . . . . 5 SER HN . 17285 1 2 . 1 1 5 5 SER HA H 1 4.426 0.001 . 1 . . . . 5 SER HA . 17285 1 3 . 1 1 5 5 SER HB2 H 1 3.781 0.003 . 2 . . . . 5 SER QB . 17285 1 4 . 1 1 5 5 SER HB3 H 1 3.781 0.003 . 2 . . . . 5 SER QB . 17285 1 5 . 1 1 6 6 TYR H H 1 8.251 0.001 . 1 . . . . 6 TYR HN . 17285 1 6 . 1 1 6 6 TYR HA H 1 4.624 0.000 . 1 . . . . 6 TYR HA . 17285 1 7 . 1 1 6 6 TYR HB2 H 1 3.113 0.002 . 2 . . . . 6 TYR HB2 . 17285 1 8 . 1 1 6 6 TYR HB3 H 1 2.933 0.004 . 2 . . . . 6 TYR HB3 . 17285 1 9 . 1 1 6 6 TYR HD1 H 1 7.115 0.002 . 3 . . . . 6 TYR QD . 17285 1 10 . 1 1 6 6 TYR HD2 H 1 7.115 0.002 . 3 . . . . 6 TYR QD . 17285 1 11 . 1 1 6 6 TYR HE1 H 1 6.800 0.003 . 3 . . . . 6 TYR QE . 17285 1 12 . 1 1 6 6 TYR HE2 H 1 6.800 0.003 . 3 . . . . 6 TYR QE . 17285 1 13 . 1 1 6 6 TYR CB C 13 38.756 0.000 . 1 . . . . 6 TYR CB . 17285 1 14 . 1 1 7 7 GLU H H 1 7.908 0.003 . 1 . . . . 7 GLU HN . 17285 1 15 . 1 1 7 7 GLU HA H 1 4.275 0.024 . 1 . . . . 7 GLU HA . 17285 1 16 . 1 1 7 7 GLU HB2 H 1 2.030 0.017 . 2 . . . . 7 GLU HB2 . 17285 1 17 . 1 1 7 7 GLU HB3 H 1 1.890 0.004 . 2 . . . . 7 GLU HB3 . 17285 1 18 . 1 1 7 7 GLU HG2 H 1 2.202 0.007 . 2 . . . . 7 GLU QG . 17285 1 19 . 1 1 7 7 GLU HG3 H 1 2.202 0.007 . 2 . . . . 7 GLU QG . 17285 1 20 . 1 1 7 7 GLU C C 13 176.552 0.025 . 1 . . . . 7 GLU C . 17285 1 21 . 1 1 7 7 GLU CA C 13 57.035 0.045 . 1 . . . . 7 GLU CA . 17285 1 22 . 1 1 7 7 GLU CB C 13 30.338 0.020 . 1 . . . . 7 GLU CB . 17285 1 23 . 1 1 7 7 GLU CG C 13 36.261 0.000 . 1 . . . . 7 GLU CG . 17285 1 24 . 1 1 8 8 THR H H 1 7.901 0.015 . 1 . . . . 8 THR HN . 17285 1 25 . 1 1 8 8 THR HA H 1 4.391 0.015 . 1 . . . . 8 THR HA . 17285 1 26 . 1 1 8 8 THR HB H 1 4.205 0.010 . 1 . . . . 8 THR HB . 17285 1 27 . 1 1 8 8 THR HG21 H 1 1.093 0.012 . 1 . . . . 8 THR QG2 . 17285 1 28 . 1 1 8 8 THR HG22 H 1 1.093 0.012 . 1 . . . . 8 THR QG2 . 17285 1 29 . 1 1 8 8 THR HG23 H 1 1.093 0.012 . 1 . . . . 8 THR QG2 . 17285 1 30 . 1 1 8 8 THR C C 13 174.121 0.038 . 1 . . . . 8 THR C . 17285 1 31 . 1 1 8 8 THR CA C 13 61.439 0.197 . 1 . . . . 8 THR CA . 17285 1 32 . 1 1 8 8 THR CB C 13 69.877 0.048 . 1 . . . . 8 THR CB . 17285 1 33 . 1 1 8 8 THR CG2 C 13 21.318 0.034 . 1 . . . . 8 THR CG2 . 17285 1 34 . 1 1 8 8 THR N N 15 113.376 0.072 . 1 . . . . 8 THR N . 17285 1 35 . 1 1 9 9 ASP H H 1 8.246 0.010 . 1 . . . . 9 ASP HN . 17285 1 36 . 1 1 9 9 ASP HA H 1 4.618 0.016 . 1 . . . . 9 ASP HA . 17285 1 37 . 1 1 9 9 ASP HB2 H 1 2.626 0.018 . 2 . . . . 9 ASP QB . 17285 1 38 . 1 1 9 9 ASP HB3 H 1 2.626 0.018 . 2 . . . . 9 ASP QB . 17285 1 39 . 1 1 9 9 ASP C C 13 175.683 0.031 . 1 . . . . 9 ASP C . 17285 1 40 . 1 1 9 9 ASP CA C 13 54.476 0.045 . 1 . . . . 9 ASP CA . 17285 1 41 . 1 1 9 9 ASP CB C 13 41.198 0.035 . 1 . . . . 9 ASP CB . 17285 1 42 . 1 1 9 9 ASP N N 15 122.261 0.118 . 1 . . . . 9 ASP N . 17285 1 43 . 1 1 10 10 HIS H H 1 8.209 0.024 . 1 . . . . 10 HIS HN . 17285 1 44 . 1 1 10 10 HIS HA H 1 4.892 0.014 . 1 . . . . 10 HIS HA . 17285 1 45 . 1 1 10 10 HIS HB2 H 1 3.287 0.013 . 2 . . . . 10 HIS HB2 . 17285 1 46 . 1 1 10 10 HIS HB3 H 1 2.837 0.014 . 2 . . . . 10 HIS HB3 . 17285 1 47 . 1 1 10 10 HIS HD2 H 1 7.635 0.007 . 1 . . . . 10 HIS HD2 . 17285 1 48 . 1 1 10 10 HIS HE1 H 1 8.561 0.001 . 1 . . . . 10 HIS HE1 . 17285 1 49 . 1 1 10 10 HIS C C 13 175.091 0.052 . 1 . . . . 10 HIS C . 17285 1 50 . 1 1 10 10 HIS CA C 13 56.267 0.042 . 1 . . . . 10 HIS CA . 17285 1 51 . 1 1 10 10 HIS CB C 13 32.801 0.048 . 1 . . . . 10 HIS CB . 17285 1 52 . 1 1 10 10 HIS N N 15 116.508 0.110 . 1 . . . . 10 HIS N . 17285 1 53 . 1 1 11 11 GLN H H 1 8.595 0.006 . 1 . . . . 11 GLN HN . 17285 1 54 . 1 1 11 11 GLN HA H 1 4.328 0.005 . 1 . . . . 11 GLN HA . 17285 1 55 . 1 1 11 11 GLN HB2 H 1 1.802 0.007 . 2 . . . . 11 GLN HB2 . 17285 1 56 . 1 1 11 11 GLN HB3 H 1 1.608 0.008 . 2 . . . . 11 GLN HB3 . 17285 1 57 . 1 1 11 11 GLN HG2 H 1 2.380 0.006 . 2 . . . . 11 GLN HG2 . 17285 1 58 . 1 1 11 11 GLN HG3 H 1 2.040 0.009 . 2 . . . . 11 GLN HG3 . 17285 1 59 . 1 1 11 11 GLN HE21 H 1 7.255 0.003 . 2 . . . . 11 GLN HE21 . 17285 1 60 . 1 1 11 11 GLN HE22 H 1 6.876 0.002 . 2 . . . . 11 GLN HE22 . 17285 1 61 . 1 1 11 11 GLN C C 13 174.707 0.041 . 1 . . . . 11 GLN C . 17285 1 62 . 1 1 11 11 GLN CA C 13 54.745 0.023 . 1 . . . . 11 GLN CA . 17285 1 63 . 1 1 11 11 GLN CB C 13 28.144 0.021 . 1 . . . . 11 GLN CB . 17285 1 64 . 1 1 11 11 GLN CG C 13 32.424 0.000 . 1 . . . . 11 GLN CG . 17285 1 65 . 1 1 11 11 GLN N N 15 119.228 0.073 . 1 . . . . 11 GLN N . 17285 1 66 . 1 1 11 11 GLN NE2 N 15 109.980 0.000 . 1 . . . . 11 GLN NE2 . 17285 1 67 . 1 1 12 12 ASP H H 1 7.981 0.008 . 1 . . . . 12 ASP HN . 17285 1 68 . 1 1 12 12 ASP HA H 1 4.481 0.010 . 1 . . . . 12 ASP HA . 17285 1 69 . 1 1 12 12 ASP HB2 H 1 2.858 0.017 . 2 . . . . 12 ASP HB2 . 17285 1 70 . 1 1 12 12 ASP HB3 H 1 2.567 0.012 . 2 . . . . 12 ASP HB3 . 17285 1 71 . 1 1 12 12 ASP C C 13 174.498 0.031 . 1 . . . . 12 ASP C . 17285 1 72 . 1 1 12 12 ASP CA C 13 52.485 0.077 . 1 . . . . 12 ASP CA . 17285 1 73 . 1 1 12 12 ASP CB C 13 40.471 0.024 . 1 . . . . 12 ASP CB . 17285 1 74 . 1 1 12 12 ASP N N 15 117.016 0.055 . 1 . . . . 12 ASP N . 17285 1 75 . 1 1 13 13 TYR H H 1 6.416 0.008 . 1 . . . . 13 TYR HN . 17285 1 76 . 1 1 13 13 TYR HA H 1 4.462 0.010 . 1 . . . . 13 TYR HA . 17285 1 77 . 1 1 13 13 TYR HB2 H 1 2.600 0.011 . 2 . . . . 13 TYR HB2 . 17285 1 78 . 1 1 13 13 TYR HB3 H 1 2.242 0.011 . 2 . . . . 13 TYR HB3 . 17285 1 79 . 1 1 13 13 TYR HD1 H 1 6.883 0.003 . 3 . . . . 13 TYR QD . 17285 1 80 . 1 1 13 13 TYR HD2 H 1 6.883 0.003 . 3 . . . . 13 TYR QD . 17285 1 81 . 1 1 13 13 TYR HE1 H 1 6.757 0.002 . 3 . . . . 13 TYR QE . 17285 1 82 . 1 1 13 13 TYR HE2 H 1 6.757 0.002 . 3 . . . . 13 TYR QE . 17285 1 83 . 1 1 13 13 TYR C C 13 172.035 0.006 . 1 . . . . 13 TYR C . 17285 1 84 . 1 1 13 13 TYR CA C 13 53.592 0.022 . 1 . . . . 13 TYR CA . 17285 1 85 . 1 1 13 13 TYR CB C 13 40.616 0.093 . 1 . . . . 13 TYR CB . 17285 1 86 . 1 1 13 13 TYR N N 15 112.948 0.069 . 1 . . . . 13 TYR N . 17285 1 87 . 1 1 14 14 CYS H H 1 8.349 0.005 . 1 . . . . 14 CYS HN . 17285 1 88 . 1 1 14 14 CYS HA H 1 3.961 0.010 . 1 . . . . 14 CYS HA . 17285 1 89 . 1 1 14 14 CYS HB2 H 1 3.425 0.009 . 2 . . . . 14 CYS HB2 . 17285 1 90 . 1 1 14 14 CYS HB3 H 1 1.742 0.009 . 2 . . . . 14 CYS HB3 . 17285 1 91 . 1 1 14 14 CYS C C 13 176.716 0.011 . 1 . . . . 14 CYS C . 17285 1 92 . 1 1 14 14 CYS CA C 13 57.211 0.062 . 1 . . . . 14 CYS CA . 17285 1 93 . 1 1 14 14 CYS CB C 13 31.689 0.060 . 1 . . . . 14 CYS CB . 17285 1 94 . 1 1 14 14 CYS N N 15 121.426 0.067 . 1 . . . . 14 CYS N . 17285 1 95 . 1 1 15 15 GLU H H 1 8.801 0.005 . 1 . . . . 15 GLU HN . 17285 1 96 . 1 1 15 15 GLU HA H 1 4.113 0.011 . 1 . . . . 15 GLU HA . 17285 1 97 . 1 1 15 15 GLU HB2 H 1 1.385 0.007 . 2 . . . . 15 GLU HB2 . 17285 1 98 . 1 1 15 15 GLU HB3 H 1 1.661 0.010 . 2 . . . . 15 GLU HB3 . 17285 1 99 . 1 1 15 15 GLU HG2 H 1 2.398 0.008 . 2 . . . . 15 GLU QG . 17285 1 100 . 1 1 15 15 GLU HG3 H 1 2.398 0.008 . 2 . . . . 15 GLU QG . 17285 1 101 . 1 1 15 15 GLU C C 13 176.642 0.000 . 1 . . . . 15 GLU C . 17285 1 102 . 1 1 15 15 GLU CA C 13 57.531 0.054 . 1 . . . . 15 GLU CA . 17285 1 103 . 1 1 15 15 GLU CB C 13 31.592 0.029 . 1 . . . . 15 GLU CB . 17285 1 104 . 1 1 15 15 GLU CG C 13 34.007 0.034 . 1 . . . . 15 GLU CG . 17285 1 105 . 1 1 15 15 GLU N N 15 130.573 0.065 . 1 . . . . 15 GLU N . 17285 1 106 . 1 1 16 16 VAL H H 1 8.820 0.003 . 1 . . . . 16 VAL HN . 17285 1 107 . 1 1 16 16 VAL HA H 1 3.995 0.007 . 1 . . . . 16 VAL HA . 17285 1 108 . 1 1 16 16 VAL HB H 1 2.285 0.013 . 1 . . . . 16 VAL HB . 17285 1 109 . 1 1 16 16 VAL HG11 H 1 1.302 0.008 . 1 . . . . 16 VAL QG1 . 17285 1 110 . 1 1 16 16 VAL HG12 H 1 1.302 0.008 . 1 . . . . 16 VAL QG1 . 17285 1 111 . 1 1 16 16 VAL HG13 H 1 1.302 0.008 . 1 . . . . 16 VAL QG1 . 17285 1 112 . 1 1 16 16 VAL HG21 H 1 1.142 0.010 . 1 . . . . 16 VAL QG2 . 17285 1 113 . 1 1 16 16 VAL HG22 H 1 1.142 0.010 . 1 . . . . 16 VAL QG2 . 17285 1 114 . 1 1 16 16 VAL HG23 H 1 1.142 0.010 . 1 . . . . 16 VAL QG2 . 17285 1 115 . 1 1 16 16 VAL C C 13 177.396 0.007 . 1 . . . . 16 VAL C . 17285 1 116 . 1 1 16 16 VAL CA C 13 65.444 0.028 . 1 . . . . 16 VAL CA . 17285 1 117 . 1 1 16 16 VAL CB C 13 33.145 0.076 . 1 . . . . 16 VAL CB . 17285 1 118 . 1 1 16 16 VAL CG1 C 13 21.203 0.310 . 2 . . . . 16 VAL CG1 . 17285 1 119 . 1 1 16 16 VAL CG2 C 13 20.936 0.109 . 2 . . . . 16 VAL CG2 . 17285 1 120 . 1 1 16 16 VAL N N 15 119.129 0.062 . 1 . . . . 16 VAL N . 17285 1 121 . 1 1 17 17 CYS H H 1 7.945 0.004 . 1 . . . . 17 CYS HN . 17285 1 122 . 1 1 17 17 CYS HA H 1 5.011 0.010 . 1 . . . . 17 CYS HA . 17285 1 123 . 1 1 17 17 CYS HB2 H 1 3.368 0.011 . 2 . . . . 17 CYS HB2 . 17285 1 124 . 1 1 17 17 CYS HB3 H 1 2.952 0.014 . 2 . . . . 17 CYS HB3 . 17285 1 125 . 1 1 17 17 CYS C C 13 176.096 0.017 . 1 . . . . 17 CYS C . 17285 1 126 . 1 1 17 17 CYS CA C 13 58.742 0.069 . 1 . . . . 17 CYS CA . 17285 1 127 . 1 1 17 17 CYS CB C 13 31.636 0.019 . 1 . . . . 17 CYS CB . 17285 1 128 . 1 1 17 17 CYS N N 15 116.836 0.059 . 1 . . . . 17 CYS N . 17285 1 129 . 1 1 18 18 GLN H H 1 8.454 0.003 . 1 . . . . 18 GLN HN . 17285 1 130 . 1 1 18 18 GLN HA H 1 4.070 0.011 . 1 . . . . 18 GLN HA . 17285 1 131 . 1 1 18 18 GLN HB2 H 1 2.349 0.014 . 2 . . . . 18 GLN HB2 . 17285 1 132 . 1 1 18 18 GLN HB3 H 1 2.147 0.005 . 2 . . . . 18 GLN HB3 . 17285 1 133 . 1 1 18 18 GLN HG2 H 1 2.174 0.005 . 2 . . . . 18 GLN HG2 . 17285 1 134 . 1 1 18 18 GLN HG3 H 1 2.109 0.011 . 2 . . . . 18 GLN HG3 . 17285 1 135 . 1 1 18 18 GLN HE21 H 1 7.147 0.002 . 2 . . . . 18 GLN HE21 . 17285 1 136 . 1 1 18 18 GLN HE22 H 1 6.578 0.002 . 2 . . . . 18 GLN HE22 . 17285 1 137 . 1 1 18 18 GLN C C 13 174.464 0.021 . 1 . . . . 18 GLN C . 17285 1 138 . 1 1 18 18 GLN CA C 13 58.301 0.066 . 1 . . . . 18 GLN CA . 17285 1 139 . 1 1 18 18 GLN CB C 13 25.682 0.011 . 1 . . . . 18 GLN CB . 17285 1 140 . 1 1 18 18 GLN CG C 13 34.617 0.066 . 1 . . . . 18 GLN CG . 17285 1 141 . 1 1 18 18 GLN N N 15 117.161 0.063 . 1 . . . . 18 GLN N . 17285 1 142 . 1 1 18 18 GLN NE2 N 15 112.806 0.000 . 1 . . . . 18 GLN NE2 . 17285 1 143 . 1 1 19 19 GLN H H 1 8.416 0.003 . 1 . . . . 19 GLN HN . 17285 1 144 . 1 1 19 19 GLN HA H 1 4.845 0.011 . 1 . . . . 19 GLN HA . 17285 1 145 . 1 1 19 19 GLN HB2 H 1 2.423 0.015 . 2 . . . . 19 GLN HB2 . 17285 1 146 . 1 1 19 19 GLN HB3 H 1 2.325 0.013 . 2 . . . . 19 GLN HB3 . 17285 1 147 . 1 1 19 19 GLN HG2 H 1 2.489 0.028 . 2 . . . . 19 GLN QG . 17285 1 148 . 1 1 19 19 GLN HG3 H 1 2.489 0.028 . 2 . . . . 19 GLN QG . 17285 1 149 . 1 1 19 19 GLN HE21 H 1 7.411 0.000 . 2 . . . . 19 GLN HE21 . 17285 1 150 . 1 1 19 19 GLN HE22 H 1 6.897 0.002 . 2 . . . . 19 GLN HE22 . 17285 1 151 . 1 1 19 19 GLN C C 13 176.418 0.004 . 1 . . . . 19 GLN C . 17285 1 152 . 1 1 19 19 GLN CA C 13 54.273 0.023 . 1 . . . . 19 GLN CA . 17285 1 153 . 1 1 19 19 GLN CB C 13 31.283 0.035 . 1 . . . . 19 GLN CB . 17285 1 154 . 1 1 19 19 GLN CG C 13 33.919 0.023 . 1 . . . . 19 GLN CG . 17285 1 155 . 1 1 19 19 GLN N N 15 118.402 0.053 . 1 . . . . 19 GLN N . 17285 1 156 . 1 1 19 19 GLN NE2 N 15 113.340 0.001 . 1 . . . . 19 GLN NE2 . 17285 1 157 . 1 1 20 20 GLY H H 1 8.573 0.004 . 1 . . . . 20 GLY HN . 17285 1 158 . 1 1 20 20 GLY HA2 H 1 4.436 0.012 . 2 . . . . 20 GLY HA1 . 17285 1 159 . 1 1 20 20 GLY HA3 H 1 3.907 0.015 . 2 . . . . 20 GLY HA2 . 17285 1 160 . 1 1 20 20 GLY C C 13 174.340 0.014 . 1 . . . . 20 GLY C . 17285 1 161 . 1 1 20 20 GLY CA C 13 44.041 0.059 . 1 . . . . 20 GLY CA . 17285 1 162 . 1 1 20 20 GLY N N 15 108.173 0.094 . 1 . . . . 20 GLY N . 17285 1 163 . 1 1 21 21 GLY H H 1 8.668 0.005 . 1 . . . . 21 GLY HN . 17285 1 164 . 1 1 21 21 GLY HA2 H 1 4.578 0.013 . 2 . . . . 21 GLY HA1 . 17285 1 165 . 1 1 21 21 GLY HA3 H 1 3.685 0.011 . 2 . . . . 21 GLY HA2 . 17285 1 166 . 1 1 21 21 GLY C C 13 173.088 0.010 . 1 . . . . 21 GLY C . 17285 1 167 . 1 1 21 21 GLY CA C 13 44.715 0.035 . 1 . . . . 21 GLY CA . 17285 1 168 . 1 1 21 21 GLY N N 15 110.692 0.062 . 1 . . . . 21 GLY N . 17285 1 169 . 1 1 22 22 GLU H H 1 8.891 0.005 . 1 . . . . 22 GLU HN . 17285 1 170 . 1 1 22 22 GLU HA H 1 4.326 0.013 . 1 . . . . 22 GLU HA . 17285 1 171 . 1 1 22 22 GLU HB2 H 1 2.098 0.019 . 2 . . . . 22 GLU HB2 . 17285 1 172 . 1 1 22 22 GLU HB3 H 1 2.019 0.013 . 2 . . . . 22 GLU HB3 . 17285 1 173 . 1 1 22 22 GLU HG2 H 1 2.247 0.020 . 2 . . . . 22 GLU HG2 . 17285 1 174 . 1 1 22 22 GLU HG3 H 1 2.195 0.012 . 2 . . . . 22 GLU HG3 . 17285 1 175 . 1 1 22 22 GLU C C 13 175.338 0.003 . 1 . . . . 22 GLU C . 17285 1 176 . 1 1 22 22 GLU CA C 13 56.600 0.018 . 1 . . . . 22 GLU CA . 17285 1 177 . 1 1 22 22 GLU CB C 13 28.407 0.022 . 1 . . . . 22 GLU CB . 17285 1 178 . 1 1 22 22 GLU CG C 13 36.160 0.000 . 1 . . . . 22 GLU CG . 17285 1 179 . 1 1 22 22 GLU N N 15 125.737 0.059 . 1 . . . . 22 GLU N . 17285 1 180 . 1 1 23 23 ILE H H 1 7.893 0.003 . 1 . . . . 23 ILE HN . 17285 1 181 . 1 1 23 23 ILE HA H 1 4.629 0.010 . 1 . . . . 23 ILE HA . 17285 1 182 . 1 1 23 23 ILE HB H 1 1.423 0.009 . 1 . . . . 23 ILE HB . 17285 1 183 . 1 1 23 23 ILE HG12 H 1 1.158 0.011 . 2 . . . . 23 ILE HG12 . 17285 1 184 . 1 1 23 23 ILE HG13 H 1 1.048 0.008 . 2 . . . . 23 ILE HG13 . 17285 1 185 . 1 1 23 23 ILE HG21 H 1 0.027 0.006 . 1 . . . . 23 ILE QG2 . 17285 1 186 . 1 1 23 23 ILE HG22 H 1 0.027 0.006 . 1 . . . . 23 ILE QG2 . 17285 1 187 . 1 1 23 23 ILE HG23 H 1 0.027 0.006 . 1 . . . . 23 ILE QG2 . 17285 1 188 . 1 1 23 23 ILE HD11 H 1 0.373 0.008 . 1 . . . . 23 ILE QD1 . 17285 1 189 . 1 1 23 23 ILE HD12 H 1 0.373 0.008 . 1 . . . . 23 ILE QD1 . 17285 1 190 . 1 1 23 23 ILE HD13 H 1 0.373 0.008 . 1 . . . . 23 ILE QD1 . 17285 1 191 . 1 1 23 23 ILE C C 13 174.977 0.044 . 1 . . . . 23 ILE C . 17285 1 192 . 1 1 23 23 ILE CA C 13 59.162 0.235 . 1 . . . . 23 ILE CA . 17285 1 193 . 1 1 23 23 ILE CB C 13 40.737 0.063 . 1 . . . . 23 ILE CB . 17285 1 194 . 1 1 23 23 ILE CG1 C 13 23.437 0.065 . 1 . . . . 23 ILE CG1 . 17285 1 195 . 1 1 23 23 ILE CG2 C 13 17.224 0.045 . 1 . . . . 23 ILE CG2 . 17285 1 196 . 1 1 23 23 ILE CD1 C 13 12.346 0.175 . 1 . . . . 23 ILE CD1 . 17285 1 197 . 1 1 23 23 ILE N N 15 119.280 0.048 . 1 . . . . 23 ILE N . 17285 1 198 . 1 1 24 24 ILE H H 1 9.189 0.006 . 1 . . . . 24 ILE HN . 17285 1 199 . 1 1 24 24 ILE HA H 1 4.308 0.011 . 1 . . . . 24 ILE HA . 17285 1 200 . 1 1 24 24 ILE HB H 1 1.585 0.010 . 1 . . . . 24 ILE HB . 17285 1 201 . 1 1 24 24 ILE HG12 H 1 1.255 0.008 . 2 . . . . 24 ILE HG12 . 17285 1 202 . 1 1 24 24 ILE HG13 H 1 0.967 0.009 . 2 . . . . 24 ILE HG13 . 17285 1 203 . 1 1 24 24 ILE HG21 H 1 0.522 0.007 . 1 . . . . 24 ILE QG2 . 17285 1 204 . 1 1 24 24 ILE HG22 H 1 0.522 0.007 . 1 . . . . 24 ILE QG2 . 17285 1 205 . 1 1 24 24 ILE HG23 H 1 0.522 0.007 . 1 . . . . 24 ILE QG2 . 17285 1 206 . 1 1 24 24 ILE HD11 H 1 0.074 0.004 . 1 . . . . 24 ILE QD1 . 17285 1 207 . 1 1 24 24 ILE HD12 H 1 0.074 0.004 . 1 . . . . 24 ILE QD1 . 17285 1 208 . 1 1 24 24 ILE HD13 H 1 0.074 0.004 . 1 . . . . 24 ILE QD1 . 17285 1 209 . 1 1 24 24 ILE C C 13 175.109 0.034 . 1 . . . . 24 ILE C . 17285 1 210 . 1 1 24 24 ILE CA C 13 59.767 0.044 . 1 . . . . 24 ILE CA . 17285 1 211 . 1 1 24 24 ILE CB C 13 39.281 0.075 . 1 . . . . 24 ILE CB . 17285 1 212 . 1 1 24 24 ILE CG1 C 13 26.497 0.043 . 1 . . . . 24 ILE CG1 . 17285 1 213 . 1 1 24 24 ILE CG2 C 13 17.537 0.087 . 1 . . . . 24 ILE CG2 . 17285 1 214 . 1 1 24 24 ILE CD1 C 13 12.804 0.073 . 1 . . . . 24 ILE CD1 . 17285 1 215 . 1 1 24 24 ILE N N 15 121.444 0.091 . 1 . . . . 24 ILE N . 17285 1 216 . 1 1 25 25 LEU H H 1 8.432 0.007 . 1 . . . . 25 LEU HN . 17285 1 217 . 1 1 25 25 LEU HA H 1 4.624 0.009 . 1 . . . . 25 LEU HA . 17285 1 218 . 1 1 25 25 LEU HB2 H 1 1.516 0.006 . 2 . . . . 25 LEU HB2 . 17285 1 219 . 1 1 25 25 LEU HB3 H 1 0.168 0.008 . 2 . . . . 25 LEU HB3 . 17285 1 220 . 1 1 25 25 LEU HG H 1 1.501 0.011 . 1 . . . . 25 LEU HG . 17285 1 221 . 1 1 25 25 LEU HD11 H 1 0.542 0.009 . 1 . . . . 25 LEU QD1 . 17285 1 222 . 1 1 25 25 LEU HD12 H 1 0.542 0.009 . 1 . . . . 25 LEU QD1 . 17285 1 223 . 1 1 25 25 LEU HD13 H 1 0.542 0.009 . 1 . . . . 25 LEU QD1 . 17285 1 224 . 1 1 25 25 LEU HD21 H 1 0.498 0.006 . 1 . . . . 25 LEU QD2 . 17285 1 225 . 1 1 25 25 LEU HD22 H 1 0.498 0.006 . 1 . . . . 25 LEU QD2 . 17285 1 226 . 1 1 25 25 LEU HD23 H 1 0.498 0.006 . 1 . . . . 25 LEU QD2 . 17285 1 227 . 1 1 25 25 LEU C C 13 176.556 0.011 . 1 . . . . 25 LEU C . 17285 1 228 . 1 1 25 25 LEU CA C 13 53.762 0.119 . 1 . . . . 25 LEU CA . 17285 1 229 . 1 1 25 25 LEU CB C 13 41.260 0.089 . 1 . . . . 25 LEU CB . 17285 1 230 . 1 1 25 25 LEU CG C 13 26.812 0.066 . 1 . . . . 25 LEU CG . 17285 1 231 . 1 1 25 25 LEU CD1 C 13 24.695 0.021 . 2 . . . . 25 LEU CD1 . 17285 1 232 . 1 1 25 25 LEU CD2 C 13 22.900 0.036 . 2 . . . . 25 LEU CD2 . 17285 1 233 . 1 1 25 25 LEU N N 15 123.720 0.060 . 1 . . . . 25 LEU N . 17285 1 234 . 1 1 26 26 CYS H H 1 8.528 0.006 . 1 . . . . 26 CYS HN . 17285 1 235 . 1 1 26 26 CYS HA H 1 4.645 0.013 . 1 . . . . 26 CYS HA . 17285 1 236 . 1 1 26 26 CYS HB2 H 1 3.705 0.007 . 2 . . . . 26 CYS HB2 . 17285 1 237 . 1 1 26 26 CYS HB3 H 1 2.536 0.006 . 2 . . . . 26 CYS HB3 . 17285 1 238 . 1 1 26 26 CYS C C 13 176.782 0.006 . 1 . . . . 26 CYS C . 17285 1 239 . 1 1 26 26 CYS CA C 13 61.240 0.043 . 1 . . . . 26 CYS CA . 17285 1 240 . 1 1 26 26 CYS CB C 13 30.291 0.056 . 1 . . . . 26 CYS CB . 17285 1 241 . 1 1 26 26 CYS N N 15 125.169 0.050 . 1 . . . . 26 CYS N . 17285 1 242 . 1 1 27 27 ASP H H 1 9.230 0.013 . 1 . . . . 27 ASP HN . 17285 1 243 . 1 1 27 27 ASP HA H 1 5.008 0.019 . 1 . . . . 27 ASP HA . 17285 1 244 . 1 1 27 27 ASP HB2 H 1 2.896 0.012 . 2 . . . . 27 ASP HB2 . 17285 1 245 . 1 1 27 27 ASP HB3 H 1 2.752 0.017 . 2 . . . . 27 ASP HB3 . 17285 1 246 . 1 1 27 27 ASP C C 13 177.918 0.004 . 1 . . . . 27 ASP C . 17285 1 247 . 1 1 27 27 ASP CA C 13 57.986 0.053 . 1 . . . . 27 ASP CA . 17285 1 248 . 1 1 27 27 ASP CB C 13 42.748 0.020 . 1 . . . . 27 ASP CB . 17285 1 249 . 1 1 27 27 ASP N N 15 127.666 0.100 . 1 . . . . 27 ASP N . 17285 1 250 . 1 1 28 28 THR H H 1 10.045 0.003 . 1 . . . . 28 THR HN . 17285 1 251 . 1 1 28 28 THR HA H 1 4.551 0.009 . 1 . . . . 28 THR HA . 17285 1 252 . 1 1 28 28 THR HB H 1 4.649 0.018 . 1 . . . . 28 THR HB . 17285 1 253 . 1 1 28 28 THR HG1 H 1 6.365 0.003 . 1 . . . . 28 THR HG1 . 17285 1 254 . 1 1 28 28 THR HG21 H 1 0.991 0.008 . 1 . . . . 28 THR QG2 . 17285 1 255 . 1 1 28 28 THR HG22 H 1 0.991 0.008 . 1 . . . . 28 THR QG2 . 17285 1 256 . 1 1 28 28 THR HG23 H 1 0.991 0.008 . 1 . . . . 28 THR QG2 . 17285 1 257 . 1 1 28 28 THR C C 13 173.109 0.020 . 1 . . . . 28 THR C . 17285 1 258 . 1 1 28 28 THR CA C 13 61.564 0.020 . 1 . . . . 28 THR CA . 17285 1 259 . 1 1 28 28 THR CB C 13 69.569 0.027 . 1 . . . . 28 THR CB . 17285 1 260 . 1 1 28 28 THR CG2 C 13 22.023 0.035 . 1 . . . . 28 THR CG2 . 17285 1 261 . 1 1 28 28 THR N N 15 113.406 0.053 . 1 . . . . 28 THR N . 17285 1 262 . 1 1 29 29 CYS H H 1 8.289 0.014 . 1 . . . . 29 CYS HN . 17285 1 263 . 1 1 29 29 CYS HA H 1 4.846 0.040 . 1 . . . . 29 CYS HA . 17285 1 264 . 1 1 29 29 CYS HB2 H 1 3.134 0.002 . 2 . . . . 29 CYS HB2 . 17285 1 265 . 1 1 29 29 CYS HB3 H 1 2.764 0.011 . 2 . . . . 29 CYS HB3 . 17285 1 266 . 1 1 29 29 CYS C C 13 172.227 0.000 . 1 . . . . 29 CYS C . 17285 1 267 . 1 1 29 29 CYS CA C 13 58.854 0.089 . 1 . . . . 29 CYS CA . 17285 1 268 . 1 1 29 29 CYS CB C 13 30.579 0.000 . 1 . . . . 29 CYS CB . 17285 1 269 . 1 1 29 29 CYS N N 15 128.016 0.104 . 1 . . . . 29 CYS N . 17285 1 270 . 1 1 30 30 PRO HA H 1 4.220 0.012 . 1 . . . . 30 PRO HA . 17285 1 271 . 1 1 30 30 PRO HB2 H 1 2.168 0.009 . 2 . . . . 30 PRO HB2 . 17285 1 272 . 1 1 30 30 PRO HB3 H 1 1.881 0.009 . 2 . . . . 30 PRO HB3 . 17285 1 273 . 1 1 30 30 PRO HG2 H 1 1.812 0.002 . 2 . . . . 30 PRO HG2 . 17285 1 274 . 1 1 30 30 PRO HG3 H 1 1.753 0.001 . 2 . . . . 30 PRO HG3 . 17285 1 275 . 1 1 30 30 PRO HD2 H 1 3.613 0.001 . 2 . . . . 30 PRO HD2 . 17285 1 276 . 1 1 30 30 PRO HD3 H 1 3.354 0.002 . 2 . . . . 30 PRO HD3 . 17285 1 277 . 1 1 30 30 PRO C C 13 176.531 0.004 . 1 . . . . 30 PRO C . 17285 1 278 . 1 1 30 30 PRO CA C 13 64.055 0.019 . 1 . . . . 30 PRO CA . 17285 1 279 . 1 1 30 30 PRO CB C 13 31.960 0.042 . 1 . . . . 30 PRO CB . 17285 1 280 . 1 1 30 30 PRO CG C 13 27.278 0.000 . 1 . . . . 30 PRO CG . 17285 1 281 . 1 1 30 30 PRO CD C 13 50.321 0.000 . 1 . . . . 30 PRO CD . 17285 1 282 . 1 1 31 31 ARG H H 1 9.196 0.007 . 1 . . . . 31 ARG HN . 17285 1 283 . 1 1 31 31 ARG HA H 1 3.787 0.008 . 1 . . . . 31 ARG HA . 17285 1 284 . 1 1 31 31 ARG HB2 H 1 2.035 0.013 . 2 . . . . 31 ARG HB2 . 17285 1 285 . 1 1 31 31 ARG HB3 H 1 1.464 0.013 . 2 . . . . 31 ARG HB3 . 17285 1 286 . 1 1 31 31 ARG HG2 H 1 1.875 0.005 . 2 . . . . 31 ARG HG2 . 17285 1 287 . 1 1 31 31 ARG HG3 H 1 1.469 0.004 . 2 . . . . 31 ARG HG3 . 17285 1 288 . 1 1 31 31 ARG HD2 H 1 3.283 0.009 . 2 . . . . 31 ARG HD2 . 17285 1 289 . 1 1 31 31 ARG HD3 H 1 2.911 0.008 . 2 . . . . 31 ARG HD3 . 17285 1 290 . 1 1 31 31 ARG HE H 1 6.784 0.004 . 1 . . . . 31 ARG HE . 17285 1 291 . 1 1 31 31 ARG HH11 H 1 6.209 0.001 . 1 . . . . 31 ARG HH11 . 17285 1 292 . 1 1 31 31 ARG HH12 H 1 6.209 0.001 . 1 . . . . 31 ARG HH12 . 17285 1 293 . 1 1 31 31 ARG HH21 H 1 6.207 0.000 . 1 . . . . 31 ARG HH21 . 17285 1 294 . 1 1 31 31 ARG HH22 H 1 6.207 0.000 . 1 . . . . 31 ARG HH22 . 17285 1 295 . 1 1 31 31 ARG C C 13 173.435 0.003 . 1 . . . . 31 ARG C . 17285 1 296 . 1 1 31 31 ARG CA C 13 58.344 0.044 . 1 . . . . 31 ARG CA . 17285 1 297 . 1 1 31 31 ARG CB C 13 31.792 0.048 . 1 . . . . 31 ARG CB . 17285 1 298 . 1 1 31 31 ARG CG C 13 29.555 0.038 . 1 . . . . 31 ARG CG . 17285 1 299 . 1 1 31 31 ARG CD C 13 44.149 0.140 . 1 . . . . 31 ARG CD . 17285 1 300 . 1 1 31 31 ARG N N 15 121.255 0.067 . 1 . . . . 31 ARG N . 17285 1 301 . 1 1 32 32 ALA H H 1 7.078 0.012 . 1 . . . . 32 ALA HN . 17285 1 302 . 1 1 32 32 ALA HA H 1 5.564 0.009 . 1 . . . . 32 ALA HA . 17285 1 303 . 1 1 32 32 ALA HB1 H 1 1.046 0.008 . 1 . . . . 32 ALA QB . 17285 1 304 . 1 1 32 32 ALA HB2 H 1 1.046 0.008 . 1 . . . . 32 ALA QB . 17285 1 305 . 1 1 32 32 ALA HB3 H 1 1.046 0.008 . 1 . . . . 32 ALA QB . 17285 1 306 . 1 1 32 32 ALA C C 13 175.674 0.011 . 1 . . . . 32 ALA C . 17285 1 307 . 1 1 32 32 ALA CA C 13 50.016 0.178 . 1 . . . . 32 ALA CA . 17285 1 308 . 1 1 32 32 ALA CB C 13 24.536 0.064 . 1 . . . . 32 ALA CB . 17285 1 309 . 1 1 32 32 ALA N N 15 119.885 0.060 . 1 . . . . 32 ALA N . 17285 1 310 . 1 1 33 33 TYR H H 1 8.862 0.008 . 1 . . . . 33 TYR HN . 17285 1 311 . 1 1 33 33 TYR HA H 1 5.473 0.009 . 1 . . . . 33 TYR HA . 17285 1 312 . 1 1 33 33 TYR HB2 H 1 3.005 0.010 . 2 . . . . 33 TYR HB2 . 17285 1 313 . 1 1 33 33 TYR HB3 H 1 2.503 0.016 . 2 . . . . 33 TYR HB3 . 17285 1 314 . 1 1 33 33 TYR HD1 H 1 7.095 0.002 . 3 . . . . 33 TYR QD . 17285 1 315 . 1 1 33 33 TYR HD2 H 1 7.095 0.002 . 3 . . . . 33 TYR QD . 17285 1 316 . 1 1 33 33 TYR HE1 H 1 6.913 0.002 . 3 . . . . 33 TYR QE . 17285 1 317 . 1 1 33 33 TYR HE2 H 1 6.913 0.002 . 3 . . . . 33 TYR QE . 17285 1 318 . 1 1 33 33 TYR C C 13 176.764 0.005 . 1 . . . . 33 TYR C . 17285 1 319 . 1 1 33 33 TYR CA C 13 57.397 0.112 . 1 . . . . 33 TYR CA . 17285 1 320 . 1 1 33 33 TYR CB C 13 44.588 0.081 . 1 . . . . 33 TYR CB . 17285 1 321 . 1 1 33 33 TYR N N 15 114.788 0.064 . 1 . . . . 33 TYR N . 17285 1 322 . 1 1 34 34 HIS H H 1 9.517 0.003 . 1 . . . . 34 HIS HN . 17285 1 323 . 1 1 34 34 HIS HA H 1 4.956 0.009 . 1 . . . . 34 HIS HA . 17285 1 324 . 1 1 34 34 HIS HB2 H 1 3.761 0.010 . 2 . . . . 34 HIS HB2 . 17285 1 325 . 1 1 34 34 HIS HB3 H 1 3.505 0.011 . 2 . . . . 34 HIS HB3 . 17285 1 326 . 1 1 34 34 HIS HD2 H 1 7.396 0.001 . 1 . . . . 34 HIS HD2 . 17285 1 327 . 1 1 34 34 HIS HE1 H 1 7.397 0.000 . 1 . . . . 34 HIS HE1 . 17285 1 328 . 1 1 34 34 HIS C C 13 177.345 0.003 . 1 . . . . 34 HIS C . 17285 1 329 . 1 1 34 34 HIS CA C 13 57.812 0.058 . 1 . . . . 34 HIS CA . 17285 1 330 . 1 1 34 34 HIS CB C 13 31.359 0.035 . 1 . . . . 34 HIS CB . 17285 1 331 . 1 1 34 34 HIS N N 15 120.449 0.052 . 1 . . . . 34 HIS N . 17285 1 332 . 1 1 35 35 MET H H 1 9.379 0.003 . 1 . . . . 35 MET HN . 17285 1 333 . 1 1 35 35 MET HA H 1 3.985 0.012 . 1 . . . . 35 MET HA . 17285 1 334 . 1 1 35 35 MET HB2 H 1 2.086 0.003 . 2 . . . . 35 MET HB2 . 17285 1 335 . 1 1 35 35 MET HB3 H 1 1.996 0.004 . 2 . . . . 35 MET HB3 . 17285 1 336 . 1 1 35 35 MET HG2 H 1 2.504 0.007 . 2 . . . . 35 MET HG2 . 17285 1 337 . 1 1 35 35 MET HG3 H 1 2.355 0.005 . 2 . . . . 35 MET HG3 . 17285 1 338 . 1 1 35 35 MET HE1 H 1 1.841 0.037 . 1 . . . . 35 MET QE . 17285 1 339 . 1 1 35 35 MET HE2 H 1 1.841 0.037 . 1 . . . . 35 MET QE . 17285 1 340 . 1 1 35 35 MET HE3 H 1 1.841 0.037 . 1 . . . . 35 MET QE . 17285 1 341 . 1 1 35 35 MET C C 13 178.373 0.002 . 1 . . . . 35 MET C . 17285 1 342 . 1 1 35 35 MET CA C 13 60.388 0.115 . 1 . . . . 35 MET CA . 17285 1 343 . 1 1 35 35 MET CB C 13 32.547 0.072 . 1 . . . . 35 MET CB . 17285 1 344 . 1 1 35 35 MET CG C 13 32.175 0.003 . 1 . . . . 35 MET CG . 17285 1 345 . 1 1 35 35 MET CE C 13 16.900 0.000 . 1 . . . . 35 MET CE . 17285 1 346 . 1 1 35 35 MET N N 15 125.337 0.057 . 1 . . . . 35 MET N . 17285 1 347 . 1 1 36 36 VAL H H 1 8.174 0.003 . 1 . . . . 36 VAL HN . 17285 1 348 . 1 1 36 36 VAL HA H 1 4.045 0.017 . 1 . . . . 36 VAL HA . 17285 1 349 . 1 1 36 36 VAL HB H 1 2.209 0.010 . 1 . . . . 36 VAL HB . 17285 1 350 . 1 1 36 36 VAL HG11 H 1 1.028 0.008 . 1 . . . . 36 VAL QG1 . 17285 1 351 . 1 1 36 36 VAL HG12 H 1 1.028 0.008 . 1 . . . . 36 VAL QG1 . 17285 1 352 . 1 1 36 36 VAL HG13 H 1 1.028 0.008 . 1 . . . . 36 VAL QG1 . 17285 1 353 . 1 1 36 36 VAL HG21 H 1 0.998 0.025 . 1 . . . . 36 VAL QG2 . 17285 1 354 . 1 1 36 36 VAL HG22 H 1 0.998 0.025 . 1 . . . . 36 VAL QG2 . 17285 1 355 . 1 1 36 36 VAL HG23 H 1 0.998 0.025 . 1 . . . . 36 VAL QG2 . 17285 1 356 . 1 1 36 36 VAL C C 13 176.842 0.008 . 1 . . . . 36 VAL C . 17285 1 357 . 1 1 36 36 VAL CA C 13 64.151 0.041 . 1 . . . . 36 VAL CA . 17285 1 358 . 1 1 36 36 VAL CB C 13 31.495 0.052 . 1 . . . . 36 VAL CB . 17285 1 359 . 1 1 36 36 VAL CG1 C 13 21.015 0.026 . 2 . . . . 36 VAL CG1 . 17285 1 360 . 1 1 36 36 VAL CG2 C 13 21.022 0.067 . 2 . . . . 36 VAL CG2 . 17285 1 361 . 1 1 36 36 VAL N N 15 111.873 0.067 . 1 . . . . 36 VAL N . 17285 1 362 . 1 1 37 37 CYS H H 1 6.912 0.006 . 1 . . . . 37 CYS HN . 17285 1 363 . 1 1 37 37 CYS HA H 1 4.210 0.013 . 1 . . . . 37 CYS HA . 17285 1 364 . 1 1 37 37 CYS HB2 H 1 3.133 0.006 . 2 . . . . 37 CYS QB . 17285 1 365 . 1 1 37 37 CYS HB3 H 1 3.133 0.006 . 2 . . . . 37 CYS QB . 17285 1 366 . 1 1 37 37 CYS C C 13 176.185 0.010 . 1 . . . . 37 CYS C . 17285 1 367 . 1 1 37 37 CYS CA C 13 62.251 0.038 . 1 . . . . 37 CYS CA . 17285 1 368 . 1 1 37 37 CYS CB C 13 29.669 0.018 . 1 . . . . 37 CYS CB . 17285 1 369 . 1 1 37 37 CYS N N 15 118.786 0.061 . 1 . . . . 37 CYS N . 17285 1 370 . 1 1 38 38 LEU H H 1 7.478 0.003 . 1 . . . . 38 LEU HN . 17285 1 371 . 1 1 38 38 LEU HA H 1 4.310 0.013 . 1 . . . . 38 LEU HA . 17285 1 372 . 1 1 38 38 LEU HB2 H 1 1.961 0.017 . 2 . . . . 38 LEU HB2 . 17285 1 373 . 1 1 38 38 LEU HB3 H 1 1.579 0.011 . 2 . . . . 38 LEU HB3 . 17285 1 374 . 1 1 38 38 LEU HG H 1 1.671 0.020 . 1 . . . . 38 LEU HG . 17285 1 375 . 1 1 38 38 LEU HD11 H 1 0.696 0.012 . 1 . . . . 38 LEU QD1 . 17285 1 376 . 1 1 38 38 LEU HD12 H 1 0.696 0.012 . 1 . . . . 38 LEU QD1 . 17285 1 377 . 1 1 38 38 LEU HD13 H 1 0.696 0.012 . 1 . . . . 38 LEU QD1 . 17285 1 378 . 1 1 38 38 LEU HD21 H 1 0.705 0.001 . 1 . . . . 38 LEU QD2 . 17285 1 379 . 1 1 38 38 LEU HD22 H 1 0.705 0.001 . 1 . . . . 38 LEU QD2 . 17285 1 380 . 1 1 38 38 LEU HD23 H 1 0.705 0.001 . 1 . . . . 38 LEU QD2 . 17285 1 381 . 1 1 38 38 LEU C C 13 177.321 0.012 . 1 . . . . 38 LEU C . 17285 1 382 . 1 1 38 38 LEU CA C 13 56.358 0.024 . 1 . . . . 38 LEU CA . 17285 1 383 . 1 1 38 38 LEU CB C 13 43.292 0.167 . 1 . . . . 38 LEU CB . 17285 1 384 . 1 1 38 38 LEU CD1 C 13 25.549 0.000 . 2 . . . . 38 LEU CD1 . 17285 1 385 . 1 1 38 38 LEU CD2 C 13 24.061 0.000 . 2 . . . . 38 LEU CD2 . 17285 1 386 . 1 1 38 38 LEU N N 15 120.422 0.056 . 1 . . . . 38 LEU N . 17285 1 387 . 1 1 39 39 ASP H H 1 8.033 0.003 . 1 . . . . 39 ASP HN . 17285 1 388 . 1 1 39 39 ASP HA H 1 4.782 0.012 . 1 . . . . 39 ASP HA . 17285 1 389 . 1 1 39 39 ASP HB2 H 1 2.758 0.011 . 2 . . . . 39 ASP HB2 . 17285 1 390 . 1 1 39 39 ASP HB3 H 1 2.664 0.007 . 2 . . . . 39 ASP HB3 . 17285 1 391 . 1 1 39 39 ASP C C 13 174.372 0.000 . 1 . . . . 39 ASP C . 17285 1 392 . 1 1 39 39 ASP CA C 13 52.092 0.041 . 1 . . . . 39 ASP CA . 17285 1 393 . 1 1 39 39 ASP CB C 13 42.396 0.005 . 1 . . . . 39 ASP CB . 17285 1 394 . 1 1 39 39 ASP N N 15 117.028 0.068 . 1 . . . . 39 ASP N . 17285 1 395 . 1 1 40 40 PRO HA H 1 4.419 0.012 . 1 . . . . 40 PRO HA . 17285 1 396 . 1 1 40 40 PRO HB2 H 1 2.373 0.009 . 2 . . . . 40 PRO HB2 . 17285 1 397 . 1 1 40 40 PRO HB3 H 1 1.987 0.017 . 2 . . . . 40 PRO HB3 . 17285 1 398 . 1 1 40 40 PRO HG2 H 1 2.116 0.014 . 2 . . . . 40 PRO HG2 . 17285 1 399 . 1 1 40 40 PRO HG3 H 1 2.053 0.039 . 2 . . . . 40 PRO HG3 . 17285 1 400 . 1 1 40 40 PRO HD2 H 1 3.915 0.010 . 2 . . . . 40 PRO HD2 . 17285 1 401 . 1 1 40 40 PRO HD3 H 1 3.739 0.011 . 2 . . . . 40 PRO HD3 . 17285 1 402 . 1 1 40 40 PRO C C 13 176.759 0.000 . 1 . . . . 40 PRO C . 17285 1 403 . 1 1 40 40 PRO CA C 13 64.357 0.183 . 1 . . . . 40 PRO CA . 17285 1 404 . 1 1 40 40 PRO CB C 13 32.174 0.069 . 1 . . . . 40 PRO CB . 17285 1 405 . 1 1 40 40 PRO CG C 13 27.010 0.030 . 1 . . . . 40 PRO CG . 17285 1 406 . 1 1 40 40 PRO CD C 13 50.924 0.045 . 1 . . . . 40 PRO CD . 17285 1 407 . 1 1 41 41 ASP H H 1 8.308 0.005 . 1 . . . . 41 ASP HN . 17285 1 408 . 1 1 41 41 ASP HA H 1 4.702 0.012 . 1 . . . . 41 ASP HA . 17285 1 409 . 1 1 41 41 ASP HB2 H 1 2.776 0.012 . 2 . . . . 41 ASP HB2 . 17285 1 410 . 1 1 41 41 ASP HB3 H 1 2.562 0.017 . 2 . . . . 41 ASP HB3 . 17285 1 411 . 1 1 41 41 ASP C C 13 176.222 0.030 . 1 . . . . 41 ASP C . 17285 1 412 . 1 1 41 41 ASP CA C 13 54.221 0.020 . 1 . . . . 41 ASP CA . 17285 1 413 . 1 1 41 41 ASP CB C 13 41.218 0.048 . 1 . . . . 41 ASP CB . 17285 1 414 . 1 1 41 41 ASP N N 15 116.733 0.068 . 1 . . . . 41 ASP N . 17285 1 415 . 1 1 42 42 MET H H 1 7.701 0.003 . 1 . . . . 42 MET HN . 17285 1 416 . 1 1 42 42 MET HA H 1 4.146 0.015 . 1 . . . . 42 MET HA . 17285 1 417 . 1 1 42 42 MET HB2 H 1 2.021 0.010 . 2 . . . . 42 MET QB . 17285 1 418 . 1 1 42 42 MET HB3 H 1 2.021 0.010 . 2 . . . . 42 MET QB . 17285 1 419 . 1 1 42 42 MET HG2 H 1 2.492 0.022 . 2 . . . . 42 MET QG . 17285 1 420 . 1 1 42 42 MET HG3 H 1 2.492 0.022 . 2 . . . . 42 MET QG . 17285 1 421 . 1 1 42 42 MET HE1 H 1 1.932 0.054 . 1 . . . . 42 MET QE . 17285 1 422 . 1 1 42 42 MET HE2 H 1 1.932 0.054 . 1 . . . . 42 MET QE . 17285 1 423 . 1 1 42 42 MET HE3 H 1 1.932 0.054 . 1 . . . . 42 MET QE . 17285 1 424 . 1 1 42 42 MET C C 13 175.627 0.018 . 1 . . . . 42 MET C . 17285 1 425 . 1 1 42 42 MET CA C 13 56.958 0.069 . 1 . . . . 42 MET CA . 17285 1 426 . 1 1 42 42 MET CB C 13 33.198 0.080 . 1 . . . . 42 MET CB . 17285 1 427 . 1 1 42 42 MET CG C 13 31.745 0.000 . 1 . . . . 42 MET CG . 17285 1 428 . 1 1 42 42 MET CE C 13 16.704 0.000 . 1 . . . . 42 MET CE . 17285 1 429 . 1 1 42 42 MET N N 15 122.495 0.055 . 1 . . . . 42 MET N . 17285 1 430 . 1 1 43 43 GLU H H 1 8.577 0.003 . 1 . . . . 43 GLU HN . 17285 1 431 . 1 1 43 43 GLU HA H 1 4.237 0.016 . 1 . . . . 43 GLU HA . 17285 1 432 . 1 1 43 43 GLU HB2 H 1 2.010 0.013 . 2 . . . . 43 GLU HB2 . 17285 1 433 . 1 1 43 43 GLU HB3 H 1 1.914 0.018 . 2 . . . . 43 GLU HB3 . 17285 1 434 . 1 1 43 43 GLU HG2 H 1 2.260 0.010 . 2 . . . . 43 GLU HG2 . 17285 1 435 . 1 1 43 43 GLU HG3 H 1 2.155 0.018 . 2 . . . . 43 GLU HG3 . 17285 1 436 . 1 1 43 43 GLU C C 13 175.793 0.034 . 1 . . . . 43 GLU C . 17285 1 437 . 1 1 43 43 GLU CA C 13 57.060 0.106 . 1 . . . . 43 GLU CA . 17285 1 438 . 1 1 43 43 GLU CB C 13 31.528 0.028 . 1 . . . . 43 GLU CB . 17285 1 439 . 1 1 43 43 GLU CG C 13 36.359 0.000 . 1 . . . . 43 GLU CG . 17285 1 440 . 1 1 43 43 GLU N N 15 124.628 0.065 . 1 . . . . 43 GLU N . 17285 1 441 . 1 1 44 44 LYS H H 1 7.693 0.006 . 1 . . . . 44 LYS HN . 17285 1 442 . 1 1 44 44 LYS HA H 1 4.360 0.012 . 1 . . . . 44 LYS HA . 17285 1 443 . 1 1 44 44 LYS HB2 H 1 1.736 0.012 . 2 . . . . 44 LYS HB2 . 17285 1 444 . 1 1 44 44 LYS HB3 H 1 1.597 0.013 . 2 . . . . 44 LYS HB3 . 17285 1 445 . 1 1 44 44 LYS HG2 H 1 1.326 0.022 . 2 . . . . 44 LYS HG2 . 17285 1 446 . 1 1 44 44 LYS HG3 H 1 1.285 0.012 . 2 . . . . 44 LYS HG3 . 17285 1 447 . 1 1 44 44 LYS HD2 H 1 1.583 0.001 . 2 . . . . 44 LYS QD . 17285 1 448 . 1 1 44 44 LYS HD3 H 1 1.583 0.001 . 2 . . . . 44 LYS QD . 17285 1 449 . 1 1 44 44 LYS HE2 H 1 2.924 0.012 . 2 . . . . 44 LYS QE . 17285 1 450 . 1 1 44 44 LYS HE3 H 1 2.924 0.012 . 2 . . . . 44 LYS QE . 17285 1 451 . 1 1 44 44 LYS C C 13 174.408 0.012 . 1 . . . . 44 LYS C . 17285 1 452 . 1 1 44 44 LYS CA C 13 54.799 0.045 . 1 . . . . 44 LYS CA . 17285 1 453 . 1 1 44 44 LYS CB C 13 34.629 0.017 . 1 . . . . 44 LYS CB . 17285 1 454 . 1 1 44 44 LYS CG C 13 24.096 0.049 . 1 . . . . 44 LYS CG . 17285 1 455 . 1 1 44 44 LYS CD C 13 29.185 0.015 . 1 . . . . 44 LYS CD . 17285 1 456 . 1 1 44 44 LYS CE C 13 42.142 0.016 . 1 . . . . 44 LYS CE . 17285 1 457 . 1 1 44 44 LYS N N 15 119.280 0.052 . 1 . . . . 44 LYS N . 17285 1 458 . 1 1 45 45 ALA H H 1 8.438 0.004 . 1 . . . . 45 ALA HN . 17285 1 459 . 1 1 45 45 ALA HA H 1 4.288 0.007 . 1 . . . . 45 ALA HA . 17285 1 460 . 1 1 45 45 ALA HB1 H 1 1.262 0.009 . 1 . . . . 45 ALA QB . 17285 1 461 . 1 1 45 45 ALA HB2 H 1 1.262 0.009 . 1 . . . . 45 ALA QB . 17285 1 462 . 1 1 45 45 ALA HB3 H 1 1.262 0.009 . 1 . . . . 45 ALA QB . 17285 1 463 . 1 1 45 45 ALA C C 13 175.426 0.000 . 1 . . . . 45 ALA C . 17285 1 464 . 1 1 45 45 ALA CA C 13 50.633 0.128 . 1 . . . . 45 ALA CA . 17285 1 465 . 1 1 45 45 ALA CB C 13 17.342 0.069 . 1 . . . . 45 ALA CB . 17285 1 466 . 1 1 45 45 ALA N N 15 126.779 0.049 . 1 . . . . 45 ALA N . 17285 1 467 . 1 1 46 46 PRO HA H 1 4.231 0.017 . 1 . . . . 46 PRO HA . 17285 1 468 . 1 1 46 46 PRO HB2 H 1 2.165 0.012 . 2 . . . . 46 PRO HB2 . 17285 1 469 . 1 1 46 46 PRO HB3 H 1 1.687 0.010 . 2 . . . . 46 PRO HB3 . 17285 1 470 . 1 1 46 46 PRO HG2 H 1 1.382 0.013 . 2 . . . . 46 PRO HG2 . 17285 1 471 . 1 1 46 46 PRO HG3 H 1 1.248 0.014 . 2 . . . . 46 PRO HG3 . 17285 1 472 . 1 1 46 46 PRO HD2 H 1 3.446 0.018 . 2 . . . . 46 PRO HD2 . 17285 1 473 . 1 1 46 46 PRO HD3 H 1 3.250 0.012 . 2 . . . . 46 PRO HD3 . 17285 1 474 . 1 1 46 46 PRO C C 13 176.494 0.000 . 1 . . . . 46 PRO C . 17285 1 475 . 1 1 46 46 PRO CA C 13 63.378 0.020 . 1 . . . . 46 PRO CA . 17285 1 476 . 1 1 46 46 PRO CB C 13 32.286 0.019 . 1 . . . . 46 PRO CB . 17285 1 477 . 1 1 46 46 PRO CG C 13 27.117 0.236 . 1 . . . . 46 PRO CG . 17285 1 478 . 1 1 46 46 PRO CD C 13 50.127 0.114 . 1 . . . . 46 PRO CD . 17285 1 479 . 1 1 47 47 GLU H H 1 8.390 0.004 . 1 . . . . 47 GLU HN . 17285 1 480 . 1 1 47 47 GLU HA H 1 4.379 0.014 . 1 . . . . 47 GLU HA . 17285 1 481 . 1 1 47 47 GLU HB2 H 1 2.038 0.013 . 2 . . . . 47 GLU HB2 . 17285 1 482 . 1 1 47 47 GLU HB3 H 1 1.904 0.016 . 2 . . . . 47 GLU HB3 . 17285 1 483 . 1 1 47 47 GLU HG2 H 1 2.243 0.019 . 2 . . . . 47 GLU HG2 . 17285 1 484 . 1 1 47 47 GLU HG3 H 1 2.211 0.007 . 2 . . . . 47 GLU HG3 . 17285 1 485 . 1 1 47 47 GLU C C 13 176.683 0.009 . 1 . . . . 47 GLU C . 17285 1 486 . 1 1 47 47 GLU CA C 13 55.944 0.009 . 1 . . . . 47 GLU CA . 17285 1 487 . 1 1 47 47 GLU CB C 13 31.192 0.031 . 1 . . . . 47 GLU CB . 17285 1 488 . 1 1 47 47 GLU CG C 13 36.685 0.201 . 1 . . . . 47 GLU CG . 17285 1 489 . 1 1 47 47 GLU N N 15 121.555 0.071 . 1 . . . . 47 GLU N . 17285 1 490 . 1 1 48 48 GLY H H 1 8.316 0.004 . 1 . . . . 48 GLY HN . 17285 1 491 . 1 1 48 48 GLY HA2 H 1 4.028 0.017 . 2 . . . . 48 GLY HA1 . 17285 1 492 . 1 1 48 48 GLY HA3 H 1 3.911 0.014 . 2 . . . . 48 GLY HA2 . 17285 1 493 . 1 1 48 48 GLY C C 13 173.354 0.005 . 1 . . . . 48 GLY C . 17285 1 494 . 1 1 48 48 GLY CA C 13 44.740 0.041 . 1 . . . . 48 GLY CA . 17285 1 495 . 1 1 48 48 GLY N N 15 110.846 0.074 . 1 . . . . 48 GLY N . 17285 1 496 . 1 1 49 49 LYS H H 1 8.186 0.003 . 1 . . . . 49 LYS HN . 17285 1 497 . 1 1 49 49 LYS HA H 1 4.418 0.014 . 1 . . . . 49 LYS HA . 17285 1 498 . 1 1 49 49 LYS HB2 H 1 1.740 0.013 . 2 . . . . 49 LYS QB . 17285 1 499 . 1 1 49 49 LYS HB3 H 1 1.740 0.013 . 2 . . . . 49 LYS QB . 17285 1 500 . 1 1 49 49 LYS HG2 H 1 1.469 0.005 . 2 . . . . 49 LYS HG2 . 17285 1 501 . 1 1 49 49 LYS HG3 H 1 1.378 0.013 . 2 . . . . 49 LYS HG3 . 17285 1 502 . 1 1 49 49 LYS C C 13 176.375 0.015 . 1 . . . . 49 LYS C . 17285 1 503 . 1 1 49 49 LYS CA C 13 56.682 0.036 . 1 . . . . 49 LYS CA . 17285 1 504 . 1 1 49 49 LYS CB C 13 32.815 0.068 . 1 . . . . 49 LYS CB . 17285 1 505 . 1 1 49 49 LYS CG C 13 24.824 0.000 . 1 . . . . 49 LYS CG . 17285 1 506 . 1 1 49 49 LYS CD C 13 29.313 0.000 . 1 . . . . 49 LYS CD . 17285 1 507 . 1 1 49 49 LYS CE C 13 42.032 0.000 . 1 . . . . 49 LYS CE . 17285 1 508 . 1 1 49 49 LYS N N 15 122.338 0.063 . 1 . . . . 49 LYS N . 17285 1 509 . 1 1 50 50 TRP H H 1 9.782 0.025 . 1 . . . . 50 TRP HN . 17285 1 510 . 1 1 50 50 TRP HA H 1 4.661 0.017 . 1 . . . . 50 TRP HA . 17285 1 511 . 1 1 50 50 TRP HB2 H 1 3.305 0.013 . 2 . . . . 50 TRP HB2 . 17285 1 512 . 1 1 50 50 TRP HB3 H 1 2.964 0.014 . 2 . . . . 50 TRP HB3 . 17285 1 513 . 1 1 50 50 TRP HD1 H 1 7.296 0.008 . 1 . . . . 50 TRP HD1 . 17285 1 514 . 1 1 50 50 TRP HE1 H 1 9.862 0.005 . 1 . . . . 50 TRP HE1 . 17285 1 515 . 1 1 50 50 TRP HE3 H 1 7.548 0.001 . 1 . . . . 50 TRP HE3 . 17285 1 516 . 1 1 50 50 TRP HZ2 H 1 7.073 0.004 . 1 . . . . 50 TRP HZ2 . 17285 1 517 . 1 1 50 50 TRP HZ3 H 1 6.613 0.001 . 1 . . . . 50 TRP HZ3 . 17285 1 518 . 1 1 50 50 TRP HH2 H 1 6.464 0.002 . 1 . . . . 50 TRP HH2 . 17285 1 519 . 1 1 50 50 TRP C C 13 173.490 0.009 . 1 . . . . 50 TRP C . 17285 1 520 . 1 1 50 50 TRP CA C 13 59.114 0.060 . 1 . . . . 50 TRP CA . 17285 1 521 . 1 1 50 50 TRP CB C 13 30.739 0.138 . 1 . . . . 50 TRP CB . 17285 1 522 . 1 1 50 50 TRP N N 15 129.570 0.074 . 1 . . . . 50 TRP N . 17285 1 523 . 1 1 50 50 TRP NE1 N 15 129.564 0.091 . 1 . . . . 50 TRP NE1 . 17285 1 524 . 1 1 51 51 SER H H 1 7.304 0.007 . 1 . . . . 51 SER HN . 17285 1 525 . 1 1 51 51 SER HA H 1 5.106 0.008 . 1 . . . . 51 SER HA . 17285 1 526 . 1 1 51 51 SER HB2 H 1 3.409 0.011 . 2 . . . . 51 SER HB2 . 17285 1 527 . 1 1 51 51 SER HB3 H 1 3.213 0.014 . 2 . . . . 51 SER HB3 . 17285 1 528 . 1 1 51 51 SER C C 13 172.371 0.036 . 1 . . . . 51 SER C . 17285 1 529 . 1 1 51 51 SER CA C 13 56.923 0.048 . 1 . . . . 51 SER CA . 17285 1 530 . 1 1 51 51 SER CB C 13 65.248 0.033 . 1 . . . . 51 SER CB . 17285 1 531 . 1 1 51 51 SER N N 15 122.730 0.051 . 1 . . . . 51 SER N . 17285 1 532 . 1 1 52 52 CYS H H 1 9.121 0.006 . 1 . . . . 52 CYS HN . 17285 1 533 . 1 1 52 52 CYS HA H 1 3.461 0.010 . 1 . . . . 52 CYS HA . 17285 1 534 . 1 1 52 52 CYS HB2 H 1 3.144 0.006 . 2 . . . . 52 CYS HB2 . 17285 1 535 . 1 1 52 52 CYS HB3 H 1 2.342 0.005 . 2 . . . . 52 CYS HB3 . 17285 1 536 . 1 1 52 52 CYS C C 13 173.182 0.000 . 1 . . . . 52 CYS C . 17285 1 537 . 1 1 52 52 CYS CA C 13 57.030 0.041 . 1 . . . . 52 CYS CA . 17285 1 538 . 1 1 52 52 CYS CB C 13 31.174 0.032 . 1 . . . . 52 CYS CB . 17285 1 539 . 1 1 52 52 CYS N N 15 128.696 0.092 . 1 . . . . 52 CYS N . 17285 1 540 . 1 1 53 53 PRO HA H 1 4.192 0.009 . 1 . . . . 53 PRO HA . 17285 1 541 . 1 1 53 53 PRO HB2 H 1 2.361 0.020 . 2 . . . . 53 PRO HB2 . 17285 1 542 . 1 1 53 53 PRO HB3 H 1 1.744 0.026 . 2 . . . . 53 PRO HB3 . 17285 1 543 . 1 1 53 53 PRO HG2 H 1 2.346 0.001 . 2 . . . . 53 PRO HG2 . 17285 1 544 . 1 1 53 53 PRO HG3 H 1 1.920 0.003 . 2 . . . . 53 PRO HG3 . 17285 1 545 . 1 1 53 53 PRO HD2 H 1 3.418 0.001 . 2 . . . . 53 PRO HD2 . 17285 1 546 . 1 1 53 53 PRO HD3 H 1 3.032 0.004 . 2 . . . . 53 PRO HD3 . 17285 1 547 . 1 1 53 53 PRO C C 13 179.228 0.008 . 1 . . . . 53 PRO C . 17285 1 548 . 1 1 53 53 PRO CA C 13 65.344 0.095 . 1 . . . . 53 PRO CA . 17285 1 549 . 1 1 53 53 PRO CB C 13 32.191 0.058 . 1 . . . . 53 PRO CB . 17285 1 550 . 1 1 53 53 PRO CG C 13 27.965 0.000 . 1 . . . . 53 PRO CG . 17285 1 551 . 1 1 53 53 PRO CD C 13 50.006 0.000 . 1 . . . . 53 PRO CD . 17285 1 552 . 1 1 54 54 HIS H H 1 8.241 0.018 . 1 . . . . 54 HIS HN . 17285 1 553 . 1 1 54 54 HIS HA H 1 4.161 0.016 . 1 . . . . 54 HIS HA . 17285 1 554 . 1 1 54 54 HIS HB2 H 1 3.216 0.031 . 2 . . . . 54 HIS QB . 17285 1 555 . 1 1 54 54 HIS HB3 H 1 3.216 0.031 . 2 . . . . 54 HIS QB . 17285 1 556 . 1 1 54 54 HIS HD2 H 1 7.346 0.084 . 1 . . . . 54 HIS HD2 . 17285 1 557 . 1 1 54 54 HIS C C 13 177.484 0.005 . 1 . . . . 54 HIS C . 17285 1 558 . 1 1 54 54 HIS CA C 13 60.458 0.045 . 1 . . . . 54 HIS CA . 17285 1 559 . 1 1 54 54 HIS CB C 13 30.621 0.126 . 1 . . . . 54 HIS CB . 17285 1 560 . 1 1 54 54 HIS N N 15 119.267 0.101 . 1 . . . . 54 HIS N . 17285 1 561 . 1 1 55 55 CYS H H 1 8.250 0.018 . 1 . . . . 55 CYS HN . 17285 1 562 . 1 1 55 55 CYS HA H 1 3.829 0.020 . 1 . . . . 55 CYS HA . 17285 1 563 . 1 1 55 55 CYS HB2 H 1 2.971 0.012 . 2 . . . . 55 CYS HB2 . 17285 1 564 . 1 1 55 55 CYS HB3 H 1 2.681 0.008 . 2 . . . . 55 CYS HB3 . 17285 1 565 . 1 1 55 55 CYS C C 13 178.248 0.012 . 1 . . . . 55 CYS C . 17285 1 566 . 1 1 55 55 CYS CA C 13 65.144 0.062 . 1 . . . . 55 CYS CA . 17285 1 567 . 1 1 55 55 CYS CB C 13 28.237 0.016 . 1 . . . . 55 CYS CB . 17285 1 568 . 1 1 55 55 CYS N N 15 124.155 0.062 . 1 . . . . 55 CYS N . 17285 1 569 . 1 1 56 56 GLU H H 1 8.310 0.008 . 1 . . . . 56 GLU HN . 17285 1 570 . 1 1 56 56 GLU HA H 1 3.911 0.013 . 1 . . . . 56 GLU HA . 17285 1 571 . 1 1 56 56 GLU HB2 H 1 1.881 0.025 . 2 . . . . 56 GLU HB2 . 17285 1 572 . 1 1 56 56 GLU HB3 H 1 1.835 0.025 . 2 . . . . 56 GLU HB3 . 17285 1 573 . 1 1 56 56 GLU HG2 H 1 2.103 0.018 . 2 . . . . 56 GLU QG . 17285 1 574 . 1 1 56 56 GLU HG3 H 1 2.103 0.018 . 2 . . . . 56 GLU QG . 17285 1 575 . 1 1 56 56 GLU C C 13 178.617 0.023 . 1 . . . . 56 GLU C . 17285 1 576 . 1 1 56 56 GLU CA C 13 58.890 0.075 . 1 . . . . 56 GLU CA . 17285 1 577 . 1 1 56 56 GLU CB C 13 29.981 0.037 . 1 . . . . 56 GLU CB . 17285 1 578 . 1 1 56 56 GLU CG C 13 36.484 0.000 . 1 . . . . 56 GLU CG . 17285 1 579 . 1 1 56 56 GLU N N 15 118.638 0.064 . 1 . . . . 56 GLU N . 17285 1 580 . 1 1 57 57 LYS H H 1 7.565 0.020 . 1 . . . . 57 LYS HN . 17285 1 581 . 1 1 57 57 LYS HA H 1 4.103 0.016 . 1 . . . . 57 LYS HA . 17285 1 582 . 1 1 57 57 LYS HB2 H 1 1.832 0.009 . 2 . . . . 57 LYS QB . 17285 1 583 . 1 1 57 57 LYS HB3 H 1 1.832 0.009 . 2 . . . . 57 LYS QB . 17285 1 584 . 1 1 57 57 LYS HG2 H 1 1.473 0.012 . 2 . . . . 57 LYS HG2 . 17285 1 585 . 1 1 57 57 LYS HG3 H 1 1.399 0.014 . 2 . . . . 57 LYS HG3 . 17285 1 586 . 1 1 57 57 LYS HD2 H 1 1.627 0.003 . 2 . . . . 57 LYS QD . 17285 1 587 . 1 1 57 57 LYS HD3 H 1 1.627 0.003 . 2 . . . . 57 LYS QD . 17285 1 588 . 1 1 57 57 LYS HE2 H 1 3.158 0.101 . 2 . . . . 57 LYS QE . 17285 1 589 . 1 1 57 57 LYS HE3 H 1 3.158 0.101 . 2 . . . . 57 LYS QE . 17285 1 590 . 1 1 57 57 LYS C C 13 177.783 0.000 . 1 . . . . 57 LYS C . 17285 1 591 . 1 1 57 57 LYS CA C 13 58.016 0.021 . 1 . . . . 57 LYS CA . 17285 1 592 . 1 1 57 57 LYS CB C 13 32.815 0.228 . 1 . . . . 57 LYS CB . 17285 1 593 . 1 1 57 57 LYS CG C 13 24.859 0.055 . 1 . . . . 57 LYS CG . 17285 1 594 . 1 1 57 57 LYS CD C 13 29.078 0.021 . 1 . . . . 57 LYS CD . 17285 1 595 . 1 1 57 57 LYS CE C 13 42.111 0.030 . 1 . . . . 57 LYS CE . 17285 1 596 . 1 1 57 57 LYS N N 15 119.075 0.085 . 1 . . . . 57 LYS N . 17285 1 597 . 1 1 58 58 GLU H H 1 7.822 0.019 . 1 . . . . 58 GLU HN . 17285 1 598 . 1 1 58 58 GLU HA H 1 4.170 0.016 . 1 . . . . 58 GLU HA . 17285 1 599 . 1 1 58 58 GLU HB2 H 1 2.066 0.011 . 2 . . . . 58 GLU HB2 . 17285 1 600 . 1 1 58 58 GLU HB3 H 1 1.817 0.012 . 2 . . . . 58 GLU HB3 . 17285 1 601 . 1 1 58 58 GLU HG2 H 1 2.147 0.012 . 2 . . . . 58 GLU QG . 17285 1 602 . 1 1 58 58 GLU HG3 H 1 2.147 0.012 . 2 . . . . 58 GLU QG . 17285 1 603 . 1 1 58 58 GLU C C 13 177.238 0.010 . 1 . . . . 58 GLU C . 17285 1 604 . 1 1 58 58 GLU CA C 13 56.862 0.045 . 1 . . . . 58 GLU CA . 17285 1 605 . 1 1 58 58 GLU CB C 13 30.133 0.044 . 1 . . . . 58 GLU CB . 17285 1 606 . 1 1 58 58 GLU CG C 13 36.163 0.000 . 1 . . . . 58 GLU CG . 17285 1 607 . 1 1 58 58 GLU N N 15 118.445 0.067 . 1 . . . . 58 GLU N . 17285 1 608 . 1 1 59 59 GLY H H 1 7.871 0.005 . 1 . . . . 59 GLY HN . 17285 1 609 . 1 1 59 59 GLY HA2 H 1 3.987 0.012 . 2 . . . . 59 GLY HA1 . 17285 1 610 . 1 1 59 59 GLY HA3 H 1 3.869 0.021 . 2 . . . . 59 GLY HA2 . 17285 1 611 . 1 1 59 59 GLY C C 13 174.100 0.016 . 1 . . . . 59 GLY C . 17285 1 612 . 1 1 59 59 GLY CA C 13 45.530 0.046 . 1 . . . . 59 GLY CA . 17285 1 613 . 1 1 59 59 GLY N N 15 108.526 0.068 . 1 . . . . 59 GLY N . 17285 1 614 . 1 1 60 60 ILE H H 1 7.854 0.003 . 1 . . . . 60 ILE HN . 17285 1 615 . 1 1 60 60 ILE HA H 1 4.122 0.013 . 1 . . . . 60 ILE HA . 17285 1 616 . 1 1 60 60 ILE HB H 1 1.831 0.013 . 1 . . . . 60 ILE HB . 17285 1 617 . 1 1 60 60 ILE HG12 H 1 1.455 0.011 . 2 . . . . 60 ILE HG12 . 17285 1 618 . 1 1 60 60 ILE HG13 H 1 1.169 0.012 . 2 . . . . 60 ILE HG13 . 17285 1 619 . 1 1 60 60 ILE HG21 H 1 0.914 0.010 . 1 . . . . 60 ILE QG2 . 17285 1 620 . 1 1 60 60 ILE HG22 H 1 0.914 0.010 . 1 . . . . 60 ILE QG2 . 17285 1 621 . 1 1 60 60 ILE HG23 H 1 0.914 0.010 . 1 . . . . 60 ILE QG2 . 17285 1 622 . 1 1 60 60 ILE HD11 H 1 0.859 0.009 . 1 . . . . 60 ILE QD1 . 17285 1 623 . 1 1 60 60 ILE HD12 H 1 0.859 0.009 . 1 . . . . 60 ILE QD1 . 17285 1 624 . 1 1 60 60 ILE HD13 H 1 0.859 0.009 . 1 . . . . 60 ILE QD1 . 17285 1 625 . 1 1 60 60 ILE C C 13 175.368 0.003 . 1 . . . . 60 ILE C . 17285 1 626 . 1 1 60 60 ILE CA C 13 61.290 0.176 . 1 . . . . 60 ILE CA . 17285 1 627 . 1 1 60 60 ILE CB C 13 38.523 0.069 . 1 . . . . 60 ILE CB . 17285 1 628 . 1 1 60 60 ILE CG1 C 13 27.395 0.103 . 1 . . . . 60 ILE CG1 . 17285 1 629 . 1 1 60 60 ILE CG2 C 13 17.717 0.071 . 1 . . . . 60 ILE CG2 . 17285 1 630 . 1 1 60 60 ILE CD1 C 13 12.749 0.074 . 1 . . . . 60 ILE CD1 . 17285 1 631 . 1 1 60 60 ILE N N 15 120.736 0.062 . 1 . . . . 60 ILE N . 17285 1 632 . 1 1 61 61 GLN H H 1 7.924 0.003 . 1 . . . . 61 GLN HN . 17285 1 633 . 1 1 61 61 GLN HA H 1 4.185 0.002 . 1 . . . . 61 GLN HA . 17285 1 634 . 1 1 61 61 GLN HB2 H 1 2.082 0.000 . 2 . . . . 61 GLN HB2 . 17285 1 635 . 1 1 61 61 GLN HB3 H 1 1.894 0.006 . 2 . . . . 61 GLN HB3 . 17285 1 636 . 1 1 61 61 GLN HE21 H 1 7.481 0.003 . 2 . . . . 61 GLN HE21 . 17285 1 637 . 1 1 61 61 GLN HE22 H 1 6.764 0.000 . 2 . . . . 61 GLN HE22 . 17285 1 638 . 1 1 61 61 GLN C C 13 180.455 0.000 . 1 . . . . 61 GLN C . 17285 1 639 . 1 1 61 61 GLN CA C 13 57.176 0.043 . 1 . . . . 61 GLN CA . 17285 1 640 . 1 1 61 61 GLN CB C 13 31.025 0.000 . 1 . . . . 61 GLN CB . 17285 1 641 . 1 1 61 61 GLN N N 15 129.444 0.073 . 1 . . . . 61 GLN N . 17285 1 642 . 1 1 61 61 GLN NE2 N 15 112.541 0.000 . 1 . . . . 61 GLN NE2 . 17285 1 stop_ save_