data_18514 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18514 _Entry.Title ; Solution structure of CXC domain of MSL2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-06-09 _Entry.Accession_date 2012-06-09 _Entry.Last_release_date 2012-10-15 _Entry.Original_release_date 2012-10-15 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Yingang Feng . . . 18514 2 Keqiong Ye . . . 18514 3 Shanduo Zheng . . . 18514 4 Jia Wang . . . 18514 5 Jinfeng Wang . . . 18514 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18514 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID DNA-binding . 18514 Metal-binding . 18514 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18514 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 207 18514 '15N chemical shifts' 50 18514 '1H chemical shifts' 315 18514 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 . . 2012-10-15 2012-06-09 original author . 18514 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LUA 'BMRB Entry Tracking System' 18514 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18514 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23029009 _Citation.Full_citation . _Citation.Title 'Solution Structure of MSL2 CXC Domain Reveals an Unusual Zn(3)Cys(9) Cluster and Similarity to Pre-SET Domains of Histone Lysine Methyltransferases' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS One' _Citation.Journal_name_full . _Citation.Journal_volume 7 _Citation.Journal_issue 9 _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 e45437 _Citation.Page_last e45437 _Citation.Year 2012 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Shanduo Zheng . . . 18514 1 2 Jia Wang . . . 18514 1 3 Yingang Feng . . . 18514 1 4 Jinfeng Wang . . . 18514 1 5 Keqiong Ye . . . 18514 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18514 _Assembly.ID 1 _Assembly.Name MSL2 _Assembly.BMRB_code . _Assembly.Number_of_components 4 _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 MSL2 1 $MSL2 A . yes native no no . . . 18514 1 2 'ZINC ION_1' 2 $entity_ZN B . no native no no . . . 18514 1 3 'ZINC ION_2' 2 $entity_ZN C . no native no no . . . 18514 1 4 'ZINC ION_3' 2 $entity_ZN D . no native no no . . . 18514 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 MSL2 1 CYS 7 7 SG . 2 'ZINC ION_1' 2 ZN 1 1 ZN . MSL2 14 CYS SG . 'ZINC ION_1' 1 ZN ZN 18514 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MSL2 _Entity.Sf_category entity _Entity.Sf_framecode MSL2 _Entity.Entry_ID 18514 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; SPPKPKCRCGISGSSNTLTT CRNSRCPCYKSYNSCAGCHC VGCKNPHKEDYV ; _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 no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 52 _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 5652.509 _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 2LUA . "Solution Structure Of Cxc Domain Of Msl2" . . . . . 100.00 52 100.00 100.00 3.34e-27 . . . . 18514 1 2 no PDB 4RKG . "Structure Of The Msl2 Cxc Domain Bound With A Non-specific (gc)6 Dna" . . . . . 100.00 52 100.00 100.00 3.34e-27 . . . . 18514 1 3 no PDB 4RKH . "Structure Of The Msl2 Cxc Domain Bound With A Specific Mre Sequence" . . . . . 100.00 52 100.00 100.00 3.34e-27 . . . . 18514 1 4 no EMBL CAA61529 . "MSL-2 [Drosophila melanogaster]" . . . . . 98.08 773 98.04 98.04 2.36e-27 . . . . 18514 1 5 no EMBL CAA88358 . "male-specific lethal 2 [Drosophila melanogaster]" . . . . . 98.08 769 98.04 98.04 2.66e-27 . . . . 18514 1 6 no GB AAA75573 . "RING finger protein [Drosophila melanogaster]" . . . . . 98.08 773 98.04 98.04 2.93e-27 . . . . 18514 1 7 no GB AAF51104 . "male-specific lethal 2, isoform A [Drosophila melanogaster]" . . . . . 98.08 773 98.04 98.04 2.43e-27 . . . . 18514 1 8 no GB AAM75019 . "GH22488p [Drosophila melanogaster]" . . . . . 98.08 773 98.04 98.04 2.43e-27 . . . . 18514 1 9 no GB AAN10368 . "male-specific lethal 2, isoform B [Drosophila melanogaster]" . . . . . 98.08 773 98.04 98.04 2.43e-27 . . . . 18514 1 10 no GB ABU96715 . "male-specific lethal 2 [Drosophila melanogaster]" . . . . . 98.08 773 98.04 98.04 2.43e-27 . . . . 18514 1 11 no REF NP_523467 . "male-specific lethal 2, isoform A [Drosophila melanogaster]" . . . . . 98.08 773 98.04 98.04 2.43e-27 . . . . 18514 1 12 no REF NP_722907 . "male-specific lethal 2, isoform B [Drosophila melanogaster]" . . . . . 98.08 773 98.04 98.04 2.43e-27 . . . . 18514 1 13 no REF XP_001968565 . "GG24438 [Drosophila erecta]" . . . . . 98.08 780 98.04 98.04 1.18e-26 . . . . 18514 1 14 no REF XP_002045315 . "GM11132 [Drosophila sechellia]" . . . . . 98.08 775 98.04 98.04 4.54e-27 . . . . 18514 1 15 no REF XP_002077563 . "GD15895 [Drosophila simulans]" . . . . . 98.08 228 98.04 98.04 3.38e-27 . . . . 18514 1 16 no SP P50534 . "RecName: Full=E3 ubiquitin-protein ligase msl-2; AltName: Full=Protein male-specific lethal-2" . . . . . 98.08 773 98.04 98.04 2.43e-27 . . . . 18514 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 8 SER . 18514 1 2 9 PRO . 18514 1 3 10 PRO . 18514 1 4 11 LYS . 18514 1 5 12 PRO . 18514 1 6 13 LYS . 18514 1 7 14 CYS . 18514 1 8 15 ARG . 18514 1 9 16 CYS . 18514 1 10 17 GLY . 18514 1 11 18 ILE . 18514 1 12 19 SER . 18514 1 13 20 GLY . 18514 1 14 21 SER . 18514 1 15 22 SER . 18514 1 16 23 ASN . 18514 1 17 24 THR . 18514 1 18 25 LEU . 18514 1 19 26 THR . 18514 1 20 27 THR . 18514 1 21 28 CYS . 18514 1 22 29 ARG . 18514 1 23 30 ASN . 18514 1 24 31 SER . 18514 1 25 32 ARG . 18514 1 26 33 CYS . 18514 1 27 34 PRO . 18514 1 28 35 CYS . 18514 1 29 36 TYR . 18514 1 30 37 LYS . 18514 1 31 38 SER . 18514 1 32 39 TYR . 18514 1 33 40 ASN . 18514 1 34 41 SER . 18514 1 35 42 CYS . 18514 1 36 43 ALA . 18514 1 37 44 GLY . 18514 1 38 45 CYS . 18514 1 39 46 HIS . 18514 1 40 47 CYS . 18514 1 41 48 VAL . 18514 1 42 49 GLY . 18514 1 43 50 CYS . 18514 1 44 51 LYS . 18514 1 45 52 ASN . 18514 1 46 53 PRO . 18514 1 47 54 HIS . 18514 1 48 55 LYS . 18514 1 49 56 GLU . 18514 1 50 57 ASP . 18514 1 51 58 TYR . 18514 1 52 59 VAL . 18514 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 . SER 1 1 18514 1 . PRO 2 2 18514 1 . PRO 3 3 18514 1 . LYS 4 4 18514 1 . PRO 5 5 18514 1 . LYS 6 6 18514 1 . CYS 7 7 18514 1 . ARG 8 8 18514 1 . CYS 9 9 18514 1 . GLY 10 10 18514 1 . ILE 11 11 18514 1 . SER 12 12 18514 1 . GLY 13 13 18514 1 . SER 14 14 18514 1 . SER 15 15 18514 1 . ASN 16 16 18514 1 . THR 17 17 18514 1 . LEU 18 18 18514 1 . THR 19 19 18514 1 . THR 20 20 18514 1 . CYS 21 21 18514 1 . ARG 22 22 18514 1 . ASN 23 23 18514 1 . SER 24 24 18514 1 . ARG 25 25 18514 1 . CYS 26 26 18514 1 . PRO 27 27 18514 1 . CYS 28 28 18514 1 . TYR 29 29 18514 1 . LYS 30 30 18514 1 . SER 31 31 18514 1 . TYR 32 32 18514 1 . ASN 33 33 18514 1 . SER 34 34 18514 1 . CYS 35 35 18514 1 . ALA 36 36 18514 1 . GLY 37 37 18514 1 . CYS 38 38 18514 1 . HIS 39 39 18514 1 . CYS 40 40 18514 1 . VAL 41 41 18514 1 . GLY 42 42 18514 1 . CYS 43 43 18514 1 . LYS 44 44 18514 1 . ASN 45 45 18514 1 . PRO 46 46 18514 1 . HIS 47 47 18514 1 . LYS 48 48 18514 1 . GLU 49 49 18514 1 . ASP 50 50 18514 1 . TYR 51 51 18514 1 . VAL 52 52 18514 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 18514 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name 'ZINC ION' _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 . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _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 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 18514 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 18514 2 ZN 'Three letter code' 18514 2 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 1 ZN $chem_comp_ZN 18514 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 ZN ZN 18514 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 18514 _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 $MSL2 . 7227 organism . 'Drosophila melanogaster' 'Fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . . . . . . . . . 18514 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 18514 _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 $MSL2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET28a . . . . . . 18514 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 18514 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-04-05 _Chem_comp.Modified_date 2012-04-05 _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 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _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 . _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 18514 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 18514 ZN [Zn++] SMILES CACTVS 3.341 18514 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 18514 ZN [Zn+2] SMILES ACDLabs 10.04 18514 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 18514 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 18514 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 18514 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 18514 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 ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 18514 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18514 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MSL2 '[U-13C; U-15N]' . . 1 $MSL2 . . . 0.5 1.5 mM . . . . 18514 1 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18514 1 3 DSS 'natural abundance' . . . . . . 0.01 . . % . . . . 18514 1 4 D2O [U-2H] . . . . . . 10 . . % . . . . 18514 1 5 H2O [U-2H] . . . . . . 90 . . % . . . . 18514 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18514 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MSL2 'natural abundance' . . 1 $MSL2 . . 1 . . mM . . . . 18514 2 2 'ZINC ION' Cd113 . . 2 $entity_ZN . . 3 . . mM . . . . 18514 2 3 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18514 2 4 DSS 'natural abundance' . . . . . . 0.01 . . % . . . . 18514 2 5 D2O [U-2H] . . . . . . 10 . . % . . . . 18514 2 6 H2O [U-2H] . . . . . . 90 . . % . . . . 18514 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 18514 _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' 0.05 . M 18514 1 pH 6 . pH 18514 1 pressure 1 . atm 18514 1 temperature 298 . K 18514 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 18514 _Software.ID 1 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18514 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18514 1 stop_ save_ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 18514 _Software.ID 2 _Software.Name FELIX _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 18514 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18514 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 18514 _Software.ID 3 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 18514 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18514 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 18514 _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' . . 18514 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18514 4 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18514 _Software.ID 5 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 18514 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18514 5 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 18514 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18514 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 400 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 18514 _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 DMX . 600 . . . 18514 1 2 spectrometer_2 Bruker Avance . 400 . . . 18514 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 18514 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18514 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18514 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18514 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18514 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18514 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18514 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18514 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18514 1 9 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18514 1 10 '3D CCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18514 1 11 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18514 1 12 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18514 1 13 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18514 1 14 '1D Cd113' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18514 1 15 '2D 1H-113Cd HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18514 1 16 '2D 1H-113Cd HMQC-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18514 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 18514 _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 . . . . . . . . . 18514 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18514 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18514 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 18514 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18514 1 2 '2D 1H-13C HSQC' . . . 18514 1 3 '3D CBCA(CO)NH' . . . 18514 1 4 '3D HNCACB' . . . 18514 1 5 '3D HNCO' . . . 18514 1 6 '3D C(CO)NH' . . . 18514 1 7 '3D HBHA(CO)NH' . . . 18514 1 8 '3D HCCH-TOCSY' . . . 18514 1 9 '3D 1H-15N TOCSY' . . . 18514 1 10 '3D CCH-TOCSY' . . . 18514 1 11 '3D 1H-13C NOESY aliphatic' . . . 18514 1 12 '3D 1H-13C NOESY aromatic' . . . 18514 1 13 '3D 1H-15N NOESY' . . . 18514 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 SER HA H 1 4.4140 0.02 . 1 . . . A 8 SER HA . 18514 1 2 . 1 1 1 1 SER CA C 13 62.7000 0.3 . 1 . . . A 8 SER CA . 18514 1 3 . 1 1 2 2 PRO HA H 1 4.7830 0.02 . 1 . . . A 9 PRO HA . 18514 1 4 . 1 1 2 2 PRO HB2 H 1 2.4180 0.02 . 2 . . . A 9 PRO HB2 . 18514 1 5 . 1 1 2 2 PRO HB3 H 1 1.8850 0.02 . 2 . . . A 9 PRO HB3 . 18514 1 6 . 1 1 2 2 PRO HG2 H 1 2.0280 0.02 . 2 . . . A 9 PRO HG2 . 18514 1 7 . 1 1 2 2 PRO HG3 H 1 2.0710 0.02 . 2 . . . A 9 PRO HG3 . 18514 1 8 . 1 1 2 2 PRO HD2 H 1 3.6300 0.02 . 2 . . . A 9 PRO HD2 . 18514 1 9 . 1 1 2 2 PRO HD3 H 1 3.7830 0.02 . 2 . . . A 9 PRO HD3 . 18514 1 10 . 1 1 2 2 PRO CA C 13 61.8070 0.3 . 1 . . . A 9 PRO CA . 18514 1 11 . 1 1 2 2 PRO CB C 13 30.7910 0.3 . 1 . . . A 9 PRO CB . 18514 1 12 . 1 1 2 2 PRO CG C 13 27.2000 0.3 . 1 . . . A 9 PRO CG . 18514 1 13 . 1 1 2 2 PRO CD C 13 50.6400 0.3 . 1 . . . A 9 PRO CD . 18514 1 14 . 1 1 3 3 PRO HA H 1 4.4030 0.02 . 1 . . . A 10 PRO HA . 18514 1 15 . 1 1 3 3 PRO HB2 H 1 2.2770 0.02 . 2 . . . A 10 PRO HB2 . 18514 1 16 . 1 1 3 3 PRO HB3 H 1 1.8350 0.02 . 2 . . . A 10 PRO HB3 . 18514 1 17 . 1 1 3 3 PRO HG2 H 1 2.0100 0.02 . 2 . . . A 10 PRO HG2 . 18514 1 18 . 1 1 3 3 PRO HG3 H 1 2.0110 0.02 . 2 . . . A 10 PRO HG3 . 18514 1 19 . 1 1 3 3 PRO HD2 H 1 3.6210 0.02 . 2 . . . A 10 PRO HD2 . 18514 1 20 . 1 1 3 3 PRO HD3 H 1 3.8130 0.02 . 2 . . . A 10 PRO HD3 . 18514 1 21 . 1 1 3 3 PRO CA C 13 62.7340 0.3 . 1 . . . A 10 PRO CA . 18514 1 22 . 1 1 3 3 PRO CB C 13 31.8880 0.3 . 1 . . . A 10 PRO CB . 18514 1 23 . 1 1 3 3 PRO CG C 13 27.6000 0.3 . 1 . . . A 10 PRO CG . 18514 1 24 . 1 1 3 3 PRO CD C 13 50.4600 0.3 . 1 . . . A 10 PRO CD . 18514 1 25 . 1 1 4 4 LYS H H 1 8.3800 0.02 . 1 . . . A 11 LYS H . 18514 1 26 . 1 1 4 4 LYS HA H 1 4.5150 0.02 . 1 . . . A 11 LYS HA . 18514 1 27 . 1 1 4 4 LYS HB2 H 1 1.7810 0.02 . 2 . . . A 11 LYS HB2 . 18514 1 28 . 1 1 4 4 LYS HB3 H 1 1.7170 0.02 . 2 . . . A 11 LYS HB3 . 18514 1 29 . 1 1 4 4 LYS HG2 H 1 1.4340 0.02 . 2 . . . A 11 LYS HG2 . 18514 1 30 . 1 1 4 4 LYS HG3 H 1 1.5610 0.02 . 2 . . . A 11 LYS HG3 . 18514 1 31 . 1 1 4 4 LYS HD2 H 1 1.7000 0.02 . 2 . . . A 11 LYS HD2 . 18514 1 32 . 1 1 4 4 LYS HD3 H 1 1.7000 0.02 . 2 . . . A 11 LYS HD3 . 18514 1 33 . 1 1 4 4 LYS HE2 H 1 3.0100 0.02 . 2 . . . A 11 LYS HE2 . 18514 1 34 . 1 1 4 4 LYS HE3 H 1 3.0100 0.02 . 2 . . . A 11 LYS HE3 . 18514 1 35 . 1 1 4 4 LYS C C 13 173.2720 0.3 . 1 . . . A 11 LYS C . 18514 1 36 . 1 1 4 4 LYS CA C 13 54.2810 0.3 . 1 . . . A 11 LYS CA . 18514 1 37 . 1 1 4 4 LYS CB C 13 31.9200 0.3 . 1 . . . A 11 LYS CB . 18514 1 38 . 1 1 4 4 LYS CG C 13 23.5870 0.3 . 1 . . . A 11 LYS CG . 18514 1 39 . 1 1 4 4 LYS CD C 13 29.3000 0.3 . 1 . . . A 11 LYS CD . 18514 1 40 . 1 1 4 4 LYS CE C 13 42.1100 0.3 . 1 . . . A 11 LYS CE . 18514 1 41 . 1 1 4 4 LYS N N 15 124.3070 0.2 . 1 . . . A 11 LYS N . 18514 1 42 . 1 1 5 5 PRO HA H 1 4.4360 0.02 . 1 . . . A 12 PRO HA . 18514 1 43 . 1 1 5 5 PRO HB2 H 1 2.2090 0.02 . 2 . . . A 12 PRO HB2 . 18514 1 44 . 1 1 5 5 PRO HB3 H 1 1.9560 0.02 . 2 . . . A 12 PRO HB3 . 18514 1 45 . 1 1 5 5 PRO HG2 H 1 1.8700 0.02 . 2 . . . A 12 PRO HG2 . 18514 1 46 . 1 1 5 5 PRO HG3 H 1 1.8760 0.02 . 2 . . . A 12 PRO HG3 . 18514 1 47 . 1 1 5 5 PRO HD2 H 1 3.8200 0.02 . 2 . . . A 12 PRO HD2 . 18514 1 48 . 1 1 5 5 PRO HD3 H 1 3.5360 0.02 . 2 . . . A 12 PRO HD3 . 18514 1 49 . 1 1 5 5 PRO C C 13 175.537 0.3 . 1 . . . A 12 PRO C . 18514 1 50 . 1 1 5 5 PRO CA C 13 62.7930 0.3 . 1 . . . A 12 PRO CA . 18514 1 51 . 1 1 5 5 PRO CB C 13 32.0820 0.3 . 1 . . . A 12 PRO CB . 18514 1 52 . 1 1 5 5 PRO CG C 13 27.6000 0.3 . 1 . . . A 12 PRO CG . 18514 1 53 . 1 1 5 5 PRO CD C 13 50.8000 0.3 . 1 . . . A 12 PRO CD . 18514 1 54 . 1 1 6 6 LYS H H 1 8.0640 0.02 . 1 . . . A 13 LYS H . 18514 1 55 . 1 1 6 6 LYS HA H 1 5.1470 0.02 . 1 . . . A 13 LYS HA . 18514 1 56 . 1 1 6 6 LYS HB2 H 1 1.7000 0.02 . 2 . . . A 13 LYS HB2 . 18514 1 57 . 1 1 6 6 LYS HB3 H 1 1.6830 0.02 . 2 . . . A 13 LYS HB3 . 18514 1 58 . 1 1 6 6 LYS HG2 H 1 1.4620 0.02 . 2 . . . A 13 LYS HG2 . 18514 1 59 . 1 1 6 6 LYS HG3 H 1 1.3170 0.02 . 2 . . . A 13 LYS HG3 . 18514 1 60 . 1 1 6 6 LYS HD2 H 1 1.5930 0.02 . 2 . . . A 13 LYS HD2 . 18514 1 61 . 1 1 6 6 LYS HD3 H 1 1.5930 0.02 . 2 . . . A 13 LYS HD3 . 18514 1 62 . 1 1 6 6 LYS HE2 H 1 2.9770 0.02 . 2 . . . A 13 LYS HE2 . 18514 1 63 . 1 1 6 6 LYS HE3 H 1 2.9770 0.02 . 2 . . . A 13 LYS HE3 . 18514 1 64 . 1 1 6 6 LYS C C 13 173.4080 0.3 . 1 . . . A 13 LYS C . 18514 1 65 . 1 1 6 6 LYS CA C 13 54.4570 0.3 . 1 . . . A 13 LYS CA . 18514 1 66 . 1 1 6 6 LYS CB C 13 34.8410 0.3 . 1 . . . A 13 LYS CB . 18514 1 67 . 1 1 6 6 LYS CG C 13 24.6610 0.3 . 1 . . . A 13 LYS CG . 18514 1 68 . 1 1 6 6 LYS CD C 13 28.9800 0.3 . 1 . . . A 13 LYS CD . 18514 1 69 . 1 1 6 6 LYS CE C 13 42.1820 0.3 . 1 . . . A 13 LYS CE . 18514 1 70 . 1 1 6 6 LYS N N 15 118.8510 0.2 . 1 . . . A 13 LYS N . 18514 1 71 . 1 1 7 7 CYS H H 1 9.9430 0.02 . 1 . . . A 14 CYS H . 18514 1 72 . 1 1 7 7 CYS HA H 1 5.2280 0.02 . 1 . . . A 14 CYS HA . 18514 1 73 . 1 1 7 7 CYS HB2 H 1 3.4580 0.02 . 2 . . . A 14 CYS HB2 . 18514 1 74 . 1 1 7 7 CYS HB3 H 1 3.7310 0.02 . 2 . . . A 14 CYS HB3 . 18514 1 75 . 1 1 7 7 CYS C C 13 173.4080 0.3 . 1 . . . A 14 CYS C . 18514 1 76 . 1 1 7 7 CYS CA C 13 56.5920 0.3 . 1 . . . A 14 CYS CA . 18514 1 77 . 1 1 7 7 CYS CB C 13 34.8610 0.3 . 1 . . . A 14 CYS CB . 18514 1 78 . 1 1 7 7 CYS N N 15 127.3850 0.2 . 1 . . . A 14 CYS N . 18514 1 79 . 1 1 8 8 ARG H H 1 8.8350 0.02 . 1 . . . A 15 ARG H . 18514 1 80 . 1 1 8 8 ARG HA H 1 4.3460 0.02 . 1 . . . A 15 ARG HA . 18514 1 81 . 1 1 8 8 ARG HB2 H 1 2.0600 0.02 . 2 . . . A 15 ARG HB2 . 18514 1 82 . 1 1 8 8 ARG HB3 H 1 1.6660 0.02 . 2 . . . A 15 ARG HB3 . 18514 1 83 . 1 1 8 8 ARG HG2 H 1 1.6000 0.02 . 2 . . . A 15 ARG HG2 . 18514 1 84 . 1 1 8 8 ARG HG3 H 1 1.6000 0.02 . 2 . . . A 15 ARG HG3 . 18514 1 85 . 1 1 8 8 ARG HD2 H 1 3.2220 0.02 . 2 . . . A 15 ARG HD2 . 18514 1 86 . 1 1 8 8 ARG HD3 H 1 3.2220 0.02 . 2 . . . A 15 ARG HD3 . 18514 1 87 . 1 1 8 8 ARG C C 13 175.8080 0.3 . 1 . . . A 15 ARG C . 18514 1 88 . 1 1 8 8 ARG CA C 13 54.3710 0.3 . 1 . . . A 15 ARG CA . 18514 1 89 . 1 1 8 8 ARG CB C 13 30.7310 0.3 . 1 . . . A 15 ARG CB . 18514 1 90 . 1 1 8 8 ARG CG C 13 27.5580 0.3 . 1 . . . A 15 ARG CG . 18514 1 91 . 1 1 8 8 ARG CD C 13 43.4390 0.3 . 1 . . . A 15 ARG CD . 18514 1 92 . 1 1 8 8 ARG N N 15 117.9400 0.2 . 1 . . . A 15 ARG N . 18514 1 93 . 1 1 9 9 CYS H H 1 7.4330 0.02 . 1 . . . A 16 CYS H . 18514 1 94 . 1 1 9 9 CYS HA H 1 4.0240 0.02 . 1 . . . A 16 CYS HA . 18514 1 95 . 1 1 9 9 CYS HB2 H 1 3.1200 0.02 . 2 . . . A 16 CYS HB2 . 18514 1 96 . 1 1 9 9 CYS HB3 H 1 3.1200 0.02 . 2 . . . A 16 CYS HB3 . 18514 1 97 . 1 1 9 9 CYS C C 13 174.3600 0.3 . 1 . . . A 16 CYS C . 18514 1 98 . 1 1 9 9 CYS CA C 13 60.2390 0.3 . 1 . . . A 16 CYS CA . 18514 1 99 . 1 1 9 9 CYS CB C 13 32.4510 0.3 . 1 . . . A 16 CYS CB . 18514 1 100 . 1 1 9 9 CYS N N 15 122.3230 0.2 . 1 . . . A 16 CYS N . 18514 1 101 . 1 1 10 10 GLY H H 1 8.7880 0.02 . 1 . . . A 17 GLY H . 18514 1 102 . 1 1 10 10 GLY HA2 H 1 4.5280 0.02 . 2 . . . A 17 GLY HA2 . 18514 1 103 . 1 1 10 10 GLY HA3 H 1 3.7400 0.02 . 2 . . . A 17 GLY HA3 . 18514 1 104 . 1 1 10 10 GLY C C 13 174.5180 0.3 . 1 . . . A 17 GLY C . 18514 1 105 . 1 1 10 10 GLY CA C 13 45.5600 0.3 . 1 . . . A 17 GLY CA . 18514 1 106 . 1 1 10 10 GLY N N 15 108.0650 0.2 . 1 . . . A 17 GLY N . 18514 1 107 . 1 1 11 11 ILE H H 1 7.5570 0.02 . 1 . . . A 18 ILE H . 18514 1 108 . 1 1 11 11 ILE HA H 1 3.9770 0.02 . 1 . . . A 18 ILE HA . 18514 1 109 . 1 1 11 11 ILE HB H 1 1.9520 0.02 . 1 . . . A 18 ILE HB . 18514 1 110 . 1 1 11 11 ILE HG12 H 1 1.2410 0.02 . 2 . . . A 18 ILE HG12 . 18514 1 111 . 1 1 11 11 ILE HG13 H 1 1.5310 0.02 . 2 . . . A 18 ILE HG13 . 18514 1 112 . 1 1 11 11 ILE HG21 H 1 0.9660 0.02 . 1 . . . A 18 ILE HG21 . 18514 1 113 . 1 1 11 11 ILE HG22 H 1 0.9660 0.02 . 1 . . . A 18 ILE HG22 . 18514 1 114 . 1 1 11 11 ILE HG23 H 1 0.9660 0.02 . 1 . . . A 18 ILE HG23 . 18514 1 115 . 1 1 11 11 ILE HD11 H 1 0.9330 0.02 . 1 . . . A 18 ILE HD11 . 18514 1 116 . 1 1 11 11 ILE HD12 H 1 0.9330 0.02 . 1 . . . A 18 ILE HD12 . 18514 1 117 . 1 1 11 11 ILE HD13 H 1 0.9330 0.02 . 1 . . . A 18 ILE HD13 . 18514 1 118 . 1 1 11 11 ILE C C 13 173.8200 0.3 . 1 . . . A 18 ILE C . 18514 1 119 . 1 1 11 11 ILE CA C 13 63.5900 0.3 . 1 . . . A 18 ILE CA . 18514 1 120 . 1 1 11 11 ILE CB C 13 38.7240 0.3 . 1 . . . A 18 ILE CB . 18514 1 121 . 1 1 11 11 ILE CG1 C 13 28.2000 0.3 . 1 . . . A 18 ILE CG1 . 18514 1 122 . 1 1 11 11 ILE CG2 C 13 17.3020 0.3 . 1 . . . A 18 ILE CG2 . 18514 1 123 . 1 1 11 11 ILE CD1 C 13 13.7400 0.3 . 1 . . . A 18 ILE CD1 . 18514 1 124 . 1 1 11 11 ILE N N 15 118.9900 0.2 . 1 . . . A 18 ILE N . 18514 1 125 . 1 1 12 12 SER H H 1 8.4180 0.02 . 1 . . . A 19 SER H . 18514 1 126 . 1 1 12 12 SER HA H 1 4.5100 0.02 . 1 . . . A 19 SER HA . 18514 1 127 . 1 1 12 12 SER HB2 H 1 3.9300 0.02 . 2 . . . A 19 SER HB2 . 18514 1 128 . 1 1 12 12 SER HB3 H 1 3.9300 0.02 . 2 . . . A 19 SER HB3 . 18514 1 129 . 1 1 12 12 SER C C 13 172.9480 0.3 . 1 . . . A 19 SER C . 18514 1 130 . 1 1 12 12 SER CA C 13 58.2000 0.3 . 1 . . . A 19 SER CA . 18514 1 131 . 1 1 12 12 SER CB C 13 63.8000 0.3 . 1 . . . A 19 SER CB . 18514 1 132 . 1 1 12 12 SER N N 15 116.1280 0.2 . 1 . . . A 19 SER N . 18514 1 133 . 1 1 13 13 GLY H H 1 8.2430 0.02 . 1 . . . A 20 GLY H . 18514 1 134 . 1 1 13 13 GLY HA2 H 1 4.1990 0.02 . 2 . . . A 20 GLY HA2 . 18514 1 135 . 1 1 13 13 GLY HA3 H 1 3.8680 0.02 . 2 . . . A 20 GLY HA3 . 18514 1 136 . 1 1 13 13 GLY C C 13 172.9480 0.3 . 1 . . . A 20 GLY C . 18514 1 137 . 1 1 13 13 GLY CA C 13 45.3980 0.3 . 1 . . . A 20 GLY CA . 18514 1 138 . 1 1 13 13 GLY N N 15 110.9840 0.2 . 1 . . . A 20 GLY N . 18514 1 139 . 1 1 14 14 SER H H 1 8.2500 0.02 . 1 . . . A 21 SER H . 18514 1 140 . 1 1 14 14 SER HA H 1 4.5350 0.02 . 1 . . . A 21 SER HA . 18514 1 141 . 1 1 14 14 SER HB2 H 1 3.9120 0.02 . 2 . . . A 21 SER HB2 . 18514 1 142 . 1 1 14 14 SER HB3 H 1 3.7800 0.02 . 2 . . . A 21 SER HB3 . 18514 1 143 . 1 1 14 14 SER C C 13 175.3760 0.3 . 1 . . . A 21 SER C . 18514 1 144 . 1 1 14 14 SER CA C 13 57.9300 0.3 . 1 . . . A 21 SER CA . 18514 1 145 . 1 1 14 14 SER CB C 13 64.0800 0.3 . 1 . . . A 21 SER CB . 18514 1 146 . 1 1 14 14 SER N N 15 114.9510 0.2 . 1 . . . A 21 SER N . 18514 1 147 . 1 1 15 15 SER H H 1 8.4270 0.02 . 1 . . . A 22 SER H . 18514 1 148 . 1 1 15 15 SER HA H 1 4.4490 0.02 . 1 . . . A 22 SER HA . 18514 1 149 . 1 1 15 15 SER HB2 H 1 3.8790 0.02 . 2 . . . A 22 SER HB2 . 18514 1 150 . 1 1 15 15 SER HB3 H 1 3.8790 0.02 . 2 . . . A 22 SER HB3 . 18514 1 151 . 1 1 15 15 SER C C 13 174.8630 0.3 . 1 . . . A 22 SER C . 18514 1 152 . 1 1 15 15 SER CA C 13 57.7670 0.3 . 1 . . . A 22 SER CA . 18514 1 153 . 1 1 15 15 SER CB C 13 63.5980 0.3 . 1 . . . A 22 SER CB . 18514 1 154 . 1 1 15 15 SER N N 15 118.3340 0.2 . 1 . . . A 22 SER N . 18514 1 155 . 1 1 16 16 ASN H H 1 8.4530 0.02 . 1 . . . A 23 ASN H . 18514 1 156 . 1 1 16 16 ASN HA H 1 4.8100 0.02 . 1 . . . A 23 ASN HA . 18514 1 157 . 1 1 16 16 ASN HB2 H 1 2.9370 0.02 . 2 . . . A 23 ASN HB2 . 18514 1 158 . 1 1 16 16 ASN HB3 H 1 2.7880 0.02 . 2 . . . A 23 ASN HB3 . 18514 1 159 . 1 1 16 16 ASN HD21 H 1 6.9630 0.02 . 2 . . . A 23 ASN HD21 . 18514 1 160 . 1 1 16 16 ASN HD22 H 1 7.6340 0.02 . 2 . . . A 23 ASN HD22 . 18514 1 161 . 1 1 16 16 ASN C C 13 175.3640 0.3 . 1 . . . A 23 ASN C . 18514 1 162 . 1 1 16 16 ASN CA C 13 53.1740 0.3 . 1 . . . A 23 ASN CA . 18514 1 163 . 1 1 16 16 ASN CB C 13 38.4670 0.3 . 1 . . . A 23 ASN CB . 18514 1 164 . 1 1 16 16 ASN N N 15 120.7840 0.2 . 1 . . . A 23 ASN N . 18514 1 165 . 1 1 16 16 ASN ND2 N 15 112.2530 0.2 . 1 . . . A 23 ASN ND2 . 18514 1 166 . 1 1 17 17 THR H H 1 8.4170 0.02 . 1 . . . A 24 THR H . 18514 1 167 . 1 1 17 17 THR HA H 1 4.3460 0.02 . 1 . . . A 24 THR HA . 18514 1 168 . 1 1 17 17 THR HB H 1 4.2290 0.02 . 1 . . . A 24 THR HB . 18514 1 169 . 1 1 17 17 THR HG21 H 1 1.2360 0.02 . 1 . . . A 24 THR HG21 . 18514 1 170 . 1 1 17 17 THR HG22 H 1 1.2360 0.02 . 1 . . . A 24 THR HG22 . 18514 1 171 . 1 1 17 17 THR HG23 H 1 1.2360 0.02 . 1 . . . A 24 THR HG23 . 18514 1 172 . 1 1 17 17 THR C C 13 173.4280 0.3 . 1 . . . A 24 THR C . 18514 1 173 . 1 1 17 17 THR CA C 13 62.1260 0.3 . 1 . . . A 24 THR CA . 18514 1 174 . 1 1 17 17 THR CB C 13 68.7770 0.3 . 1 . . . A 24 THR CB . 18514 1 175 . 1 1 17 17 THR CG2 C 13 21.7790 0.3 . 1 . . . A 24 THR CG2 . 18514 1 176 . 1 1 17 17 THR N N 15 115.6600 0.2 . 1 . . . A 24 THR N . 18514 1 177 . 1 1 18 18 LEU H H 1 8.2180 0.02 . 1 . . . A 25 LEU H . 18514 1 178 . 1 1 18 18 LEU HA H 1 4.2940 0.02 . 1 . . . A 25 LEU HA . 18514 1 179 . 1 1 18 18 LEU HB2 H 1 1.7850 0.02 . 2 . . . A 25 LEU HB2 . 18514 1 180 . 1 1 18 18 LEU HB3 H 1 1.5400 0.02 . 2 . . . A 25 LEU HB3 . 18514 1 181 . 1 1 18 18 LEU HG H 1 1.6800 0.02 . 1 . . . A 25 LEU HG . 18514 1 182 . 1 1 18 18 LEU HD11 H 1 0.9300 0.02 . 2 . . . A 25 LEU HD11 . 18514 1 183 . 1 1 18 18 LEU HD12 H 1 0.9300 0.02 . 2 . . . A 25 LEU HD12 . 18514 1 184 . 1 1 18 18 LEU HD13 H 1 0.9300 0.02 . 2 . . . A 25 LEU HD13 . 18514 1 185 . 1 1 18 18 LEU HD21 H 1 0.8500 0.02 . 2 . . . A 25 LEU HD21 . 18514 1 186 . 1 1 18 18 LEU HD22 H 1 0.8500 0.02 . 2 . . . A 25 LEU HD22 . 18514 1 187 . 1 1 18 18 LEU HD23 H 1 0.8500 0.02 . 2 . . . A 25 LEU HD23 . 18514 1 188 . 1 1 18 18 LEU C C 13 173.9510 0.3 . 1 . . . A 25 LEU C . 18514 1 189 . 1 1 18 18 LEU CA C 13 56.2480 0.3 . 1 . . . A 25 LEU CA . 18514 1 190 . 1 1 18 18 LEU CB C 13 42.3070 0.3 . 1 . . . A 25 LEU CB . 18514 1 191 . 1 1 18 18 LEU CG C 13 27.1470 0.3 . 1 . . . A 25 LEU CG . 18514 1 192 . 1 1 18 18 LEU CD1 C 13 24.8570 0.3 . 2 . . . A 25 LEU CD1 . 18514 1 193 . 1 1 18 18 LEU CD2 C 13 22.9840 0.3 . 2 . . . A 25 LEU CD2 . 18514 1 194 . 1 1 18 18 LEU N N 15 121.1900 0.2 . 1 . . . A 25 LEU N . 18514 1 195 . 1 1 19 19 THR H H 1 7.7910 0.02 . 1 . . . A 26 THR H . 18514 1 196 . 1 1 19 19 THR HA H 1 4.2300 0.02 . 1 . . . A 26 THR HA . 18514 1 197 . 1 1 19 19 THR HB H 1 4.3290 0.02 . 1 . . . A 26 THR HB . 18514 1 198 . 1 1 19 19 THR HG21 H 1 1.0540 0.02 . 1 . . . A 26 THR HG21 . 18514 1 199 . 1 1 19 19 THR HG22 H 1 1.0540 0.02 . 1 . . . A 26 THR HG22 . 18514 1 200 . 1 1 19 19 THR HG23 H 1 1.0540 0.02 . 1 . . . A 26 THR HG23 . 18514 1 201 . 1 1 19 19 THR C C 13 171.4290 0.3 . 1 . . . A 26 THR C . 18514 1 202 . 1 1 19 19 THR CA C 13 60.6310 0.3 . 1 . . . A 26 THR CA . 18514 1 203 . 1 1 19 19 THR CB C 13 68.2960 0.3 . 1 . . . A 26 THR CB . 18514 1 204 . 1 1 19 19 THR CG2 C 13 21.6230 0.3 . 1 . . . A 26 THR CG2 . 18514 1 205 . 1 1 19 19 THR N N 15 106.9880 0.2 . 1 . . . A 26 THR N . 18514 1 206 . 1 1 20 20 THR H H 1 7.3700 0.02 . 1 . . . A 27 THR H . 18514 1 207 . 1 1 20 20 THR HA H 1 3.9760 0.02 . 1 . . . A 27 THR HA . 18514 1 208 . 1 1 20 20 THR HB H 1 3.6430 0.02 . 1 . . . A 27 THR HB . 18514 1 209 . 1 1 20 20 THR HG21 H 1 1.3350 0.02 . 1 . . . A 27 THR HG21 . 18514 1 210 . 1 1 20 20 THR HG22 H 1 1.3350 0.02 . 1 . . . A 27 THR HG22 . 18514 1 211 . 1 1 20 20 THR HG23 H 1 1.3350 0.02 . 1 . . . A 27 THR HG23 . 18514 1 212 . 1 1 20 20 THR C C 13 175.1210 0.3 . 1 . . . A 27 THR C . 18514 1 213 . 1 1 20 20 THR CA C 13 68.9000 0.3 . 1 . . . A 27 THR CA . 18514 1 214 . 1 1 20 20 THR CB C 13 65.1000 0.3 . 1 . . . A 27 THR CB . 18514 1 215 . 1 1 20 20 THR CG2 C 13 22.3970 0.3 . 1 . . . A 27 THR CG2 . 18514 1 216 . 1 1 20 20 THR N N 15 121.4410 0.2 . 1 . . . A 27 THR N . 18514 1 217 . 1 1 21 21 CYS H H 1 9.3210 0.02 . 1 . . . A 28 CYS H . 18514 1 218 . 1 1 21 21 CYS HA H 1 4.0100 0.02 . 1 . . . A 28 CYS HA . 18514 1 219 . 1 1 21 21 CYS HB2 H 1 3.6400 0.02 . 2 . . . A 28 CYS HB2 . 18514 1 220 . 1 1 21 21 CYS HB3 H 1 3.6000 0.02 . 2 . . . A 28 CYS HB3 . 18514 1 221 . 1 1 21 21 CYS C C 13 174.9300 0.3 . 1 . . . A 28 CYS C . 18514 1 222 . 1 1 21 21 CYS CA C 13 59.8090 0.3 . 1 . . . A 28 CYS CA . 18514 1 223 . 1 1 21 21 CYS CB C 13 31.7570 0.3 . 1 . . . A 28 CYS CB . 18514 1 224 . 1 1 21 21 CYS N N 15 121.1740 0.2 . 1 . . . A 28 CYS N . 18514 1 225 . 1 1 22 22 ARG H H 1 7.8800 0.02 . 1 . . . A 29 ARG H . 18514 1 226 . 1 1 22 22 ARG HA H 1 3.2230 0.02 . 1 . . . A 29 ARG HA . 18514 1 227 . 1 1 22 22 ARG HB2 H 1 1.2950 0.02 . 2 . . . A 29 ARG HB2 . 18514 1 228 . 1 1 22 22 ARG HB3 H 1 0.9410 0.02 . 2 . . . A 29 ARG HB3 . 18514 1 229 . 1 1 22 22 ARG HG2 H 1 1.2390 0.02 . 2 . . . A 29 ARG HG2 . 18514 1 230 . 1 1 22 22 ARG HG3 H 1 1.4190 0.02 . 2 . . . A 29 ARG HG3 . 18514 1 231 . 1 1 22 22 ARG HD2 H 1 3.1250 0.02 . 2 . . . A 29 ARG HD2 . 18514 1 232 . 1 1 22 22 ARG HD3 H 1 3.1250 0.02 . 2 . . . A 29 ARG HD3 . 18514 1 233 . 1 1 22 22 ARG C C 13 177.6190 0.3 . 1 . . . A 29 ARG C . 18514 1 234 . 1 1 22 22 ARG CA C 13 52.8300 0.3 . 1 . . . A 29 ARG CA . 18514 1 235 . 1 1 22 22 ARG CB C 13 31.2680 0.3 . 1 . . . A 29 ARG CB . 18514 1 236 . 1 1 22 22 ARG CG C 13 28.6200 0.3 . 1 . . . A 29 ARG CG . 18514 1 237 . 1 1 22 22 ARG CD C 13 43.9400 0.3 . 1 . . . A 29 ARG CD . 18514 1 238 . 1 1 22 22 ARG N N 15 115.6430 0.2 . 1 . . . A 29 ARG N . 18514 1 239 . 1 1 23 23 ASN H H 1 6.8160 0.02 . 1 . . . A 30 ASN H . 18514 1 240 . 1 1 23 23 ASN HA H 1 4.5860 0.02 . 1 . . . A 30 ASN HA . 18514 1 241 . 1 1 23 23 ASN HB2 H 1 3.0730 0.02 . 2 . . . A 30 ASN HB2 . 18514 1 242 . 1 1 23 23 ASN HB3 H 1 2.7910 0.02 . 2 . . . A 30 ASN HB3 . 18514 1 243 . 1 1 23 23 ASN HD21 H 1 6.9640 0.02 . 2 . . . A 30 ASN HD21 . 18514 1 244 . 1 1 23 23 ASN HD22 H 1 7.4340 0.02 . 2 . . . A 30 ASN HD22 . 18514 1 245 . 1 1 23 23 ASN C C 13 174.9720 0.3 . 1 . . . A 30 ASN C . 18514 1 246 . 1 1 23 23 ASN CA C 13 51.4760 0.3 . 1 . . . A 30 ASN CA . 18514 1 247 . 1 1 23 23 ASN CB C 13 41.3530 0.3 . 1 . . . A 30 ASN CB . 18514 1 248 . 1 1 23 23 ASN N N 15 113.8540 0.2 . 1 . . . A 30 ASN N . 18514 1 249 . 1 1 23 23 ASN ND2 N 15 115.4780 0.2 . 1 . . . A 30 ASN ND2 . 18514 1 250 . 1 1 24 24 SER H H 1 8.8730 0.02 . 1 . . . A 31 SER H . 18514 1 251 . 1 1 24 24 SER HA H 1 4.1720 0.02 . 1 . . . A 31 SER HA . 18514 1 252 . 1 1 24 24 SER HB2 H 1 4.0700 0.02 . 2 . . . A 31 SER HB2 . 18514 1 253 . 1 1 24 24 SER HB3 H 1 4.0260 0.02 . 2 . . . A 31 SER HB3 . 18514 1 254 . 1 1 24 24 SER C C 13 174.8200 0.3 . 1 . . . A 31 SER C . 18514 1 255 . 1 1 24 24 SER CA C 13 61.0800 0.3 . 1 . . . A 31 SER CA . 18514 1 256 . 1 1 24 24 SER CB C 13 63.4250 0.3 . 1 . . . A 31 SER CB . 18514 1 257 . 1 1 24 24 SER N N 15 113.7880 0.2 . 1 . . . A 31 SER N . 18514 1 258 . 1 1 25 25 ARG H H 1 8.1040 0.02 . 1 . . . A 32 ARG H . 18514 1 259 . 1 1 25 25 ARG HA H 1 4.2070 0.02 . 1 . . . A 32 ARG HA . 18514 1 260 . 1 1 25 25 ARG HB2 H 1 2.0140 0.02 . 2 . . . A 32 ARG HB2 . 18514 1 261 . 1 1 25 25 ARG HB3 H 1 1.8950 0.02 . 2 . . . A 32 ARG HB3 . 18514 1 262 . 1 1 25 25 ARG HG2 H 1 1.6600 0.02 . 2 . . . A 32 ARG HG2 . 18514 1 263 . 1 1 25 25 ARG HG3 H 1 1.7220 0.02 . 2 . . . A 32 ARG HG3 . 18514 1 264 . 1 1 25 25 ARG HD2 H 1 3.2040 0.02 . 2 . . . A 32 ARG HD2 . 18514 1 265 . 1 1 25 25 ARG HD3 H 1 3.2040 0.02 . 2 . . . A 32 ARG HD3 . 18514 1 266 . 1 1 25 25 ARG C C 13 175.4820 0.3 . 1 . . . A 32 ARG C . 18514 1 267 . 1 1 25 25 ARG CA C 13 57.0180 0.3 . 1 . . . A 32 ARG CA . 18514 1 268 . 1 1 25 25 ARG CB C 13 29.7320 0.3 . 1 . . . A 32 ARG CB . 18514 1 269 . 1 1 25 25 ARG CG C 13 27.6000 0.3 . 1 . . . A 32 ARG CG . 18514 1 270 . 1 1 25 25 ARG CD C 13 43.1630 0.3 . 1 . . . A 32 ARG CD . 18514 1 271 . 1 1 25 25 ARG N N 15 119.6960 0.2 . 1 . . . A 32 ARG N . 18514 1 272 . 1 1 26 26 CYS H H 1 7.7660 0.02 . 1 . . . A 33 CYS H . 18514 1 273 . 1 1 26 26 CYS HA H 1 4.6870 0.02 . 1 . . . A 33 CYS HA . 18514 1 274 . 1 1 26 26 CYS HB2 H 1 3.2190 0.02 . 2 . . . A 33 CYS HB2 . 18514 1 275 . 1 1 26 26 CYS HB3 H 1 2.8630 0.02 . 2 . . . A 33 CYS HB3 . 18514 1 276 . 1 1 26 26 CYS C C 13 173.0640 0.3 . 1 . . . A 33 CYS C . 18514 1 277 . 1 1 26 26 CYS CA C 13 55.7000 0.3 . 1 . . . A 33 CYS CA . 18514 1 278 . 1 1 26 26 CYS CB C 13 31.9540 0.3 . 1 . . . A 33 CYS CB . 18514 1 279 . 1 1 26 26 CYS N N 15 123.0610 0.2 . 1 . . . A 33 CYS N . 18514 1 280 . 1 1 27 27 PRO HA H 1 4.2920 0.02 . 1 . . . A 34 PRO HA . 18514 1 281 . 1 1 27 27 PRO HB2 H 1 1.9530 0.02 . 2 . . . A 34 PRO HB2 . 18514 1 282 . 1 1 27 27 PRO HB3 H 1 2.3510 0.02 . 2 . . . A 34 PRO HB3 . 18514 1 283 . 1 1 27 27 PRO HG2 H 1 2.2240 0.02 . 2 . . . A 34 PRO HG2 . 18514 1 284 . 1 1 27 27 PRO HG3 H 1 2.2240 0.02 . 2 . . . A 34 PRO HG3 . 18514 1 285 . 1 1 27 27 PRO HD2 H 1 4.0040 0.02 . 2 . . . A 34 PRO HD2 . 18514 1 286 . 1 1 27 27 PRO HD3 H 1 4.2400 0.02 . 2 . . . A 34 PRO HD3 . 18514 1 287 . 1 1 27 27 PRO CA C 13 64.2660 0.3 . 1 . . . A 34 PRO CA . 18514 1 288 . 1 1 27 27 PRO CB C 13 32.1580 0.3 . 1 . . . A 34 PRO CB . 18514 1 289 . 1 1 27 27 PRO CG C 13 27.0000 0.3 . 1 . . . A 34 PRO CG . 18514 1 290 . 1 1 27 27 PRO CD C 13 51.0600 0.3 . 1 . . . A 34 PRO CD . 18514 1 291 . 1 1 28 28 CYS H H 1 8.3680 0.02 . 1 . . . A 35 CYS H . 18514 1 292 . 1 1 28 28 CYS HA H 1 3.6300 0.02 . 1 . . . A 35 CYS HA . 18514 1 293 . 1 1 28 28 CYS HB2 H 1 2.7320 0.02 . 2 . . . A 35 CYS HB2 . 18514 1 294 . 1 1 28 28 CYS HB3 H 1 2.8060 0.02 . 2 . . . A 35 CYS HB3 . 18514 1 295 . 1 1 28 28 CYS C C 13 171.2540 0.3 . 1 . . . A 35 CYS C . 18514 1 296 . 1 1 28 28 CYS CA C 13 62.5850 0.3 . 1 . . . A 35 CYS CA . 18514 1 297 . 1 1 28 28 CYS CB C 13 29.2470 0.3 . 1 . . . A 35 CYS CB . 18514 1 298 . 1 1 28 28 CYS N N 15 129.0500 0.2 . 1 . . . A 35 CYS N . 18514 1 299 . 1 1 29 29 TYR H H 1 8.1970 0.02 . 1 . . . A 36 TYR H . 18514 1 300 . 1 1 29 29 TYR HA H 1 4.0600 0.02 . 1 . . . A 36 TYR HA . 18514 1 301 . 1 1 29 29 TYR HB2 H 1 2.8400 0.02 . 2 . . . A 36 TYR HB2 . 18514 1 302 . 1 1 29 29 TYR HB3 H 1 3.3300 0.02 . 2 . . . A 36 TYR HB3 . 18514 1 303 . 1 1 29 29 TYR HD1 H 1 6.9090 0.02 . 3 . . . A 36 TYR HD1 . 18514 1 304 . 1 1 29 29 TYR HD2 H 1 6.9090 0.02 . 3 . . . A 36 TYR HD2 . 18514 1 305 . 1 1 29 29 TYR HE1 H 1 6.5610 0.02 . 3 . . . A 36 TYR HE1 . 18514 1 306 . 1 1 29 29 TYR HE2 H 1 6.5610 0.02 . 3 . . . A 36 TYR HE2 . 18514 1 307 . 1 1 29 29 TYR C C 13 172.6500 0.3 . 1 . . . A 36 TYR C . 18514 1 308 . 1 1 29 29 TYR CA C 13 62.1210 0.3 . 1 . . . A 36 TYR CA . 18514 1 309 . 1 1 29 29 TYR CB C 13 37.9210 0.3 . 1 . . . A 36 TYR CB . 18514 1 310 . 1 1 29 29 TYR CD1 C 13 133.7660 0.3 . 1 . . . A 36 TYR CD1 . 18514 1 311 . 1 1 29 29 TYR CD2 C 13 133.7660 0.3 . 3 . . . A 36 TYR CD2 . 18514 1 312 . 1 1 29 29 TYR CE1 C 13 117.6380 0.3 . 1 . . . A 36 TYR CE1 . 18514 1 313 . 1 1 29 29 TYR CE2 C 13 117.6380 0.3 . 3 . . . A 36 TYR CE2 . 18514 1 314 . 1 1 29 29 TYR N N 15 124.3640 0.2 . 1 . . . A 36 TYR N . 18514 1 315 . 1 1 30 30 LYS H H 1 8.4410 0.02 . 1 . . . A 37 LYS H . 18514 1 316 . 1 1 30 30 LYS HA H 1 3.7790 0.02 . 1 . . . A 37 LYS HA . 18514 1 317 . 1 1 30 30 LYS HB2 H 1 1.6880 0.02 . 2 . . . A 37 LYS HB2 . 18514 1 318 . 1 1 30 30 LYS HB3 H 1 2.0200 0.02 . 2 . . . A 37 LYS HB3 . 18514 1 319 . 1 1 30 30 LYS HG2 H 1 1.4400 0.02 . 2 . . . A 37 LYS HG2 . 18514 1 320 . 1 1 30 30 LYS HG3 H 1 1.5280 0.02 . 2 . . . A 37 LYS HG3 . 18514 1 321 . 1 1 30 30 LYS HD2 H 1 1.8070 0.02 . 2 . . . A 37 LYS HD2 . 18514 1 322 . 1 1 30 30 LYS HD3 H 1 1.8070 0.02 . 2 . . . A 37 LYS HD3 . 18514 1 323 . 1 1 30 30 LYS HE2 H 1 2.9880 0.02 . 2 . . . A 37 LYS HE2 . 18514 1 324 . 1 1 30 30 LYS HE3 H 1 2.9880 0.02 . 2 . . . A 37 LYS HE3 . 18514 1 325 . 1 1 30 30 LYS C C 13 172.6500 0.3 . 1 . . . A 37 LYS C . 18514 1 326 . 1 1 30 30 LYS CA C 13 58.3960 0.3 . 1 . . . A 37 LYS CA . 18514 1 327 . 1 1 30 30 LYS CB C 13 32.6320 0.3 . 1 . . . A 37 LYS CB . 18514 1 328 . 1 1 30 30 LYS CG C 13 24.6200 0.3 . 1 . . . A 37 LYS CG . 18514 1 329 . 1 1 30 30 LYS CD C 13 28.8600 0.3 . 1 . . . A 37 LYS CD . 18514 1 330 . 1 1 30 30 LYS CE C 13 42.2700 0.3 . 1 . . . A 37 LYS CE . 18514 1 331 . 1 1 30 30 LYS N N 15 117.2140 0.2 . 1 . . . A 37 LYS N . 18514 1 332 . 1 1 31 31 SER H H 1 7.1800 0.02 . 1 . . . A 38 SER H . 18514 1 333 . 1 1 31 31 SER HA H 1 4.3480 0.02 . 1 . . . A 38 SER HA . 18514 1 334 . 1 1 31 31 SER HB2 H 1 4.1640 0.02 . 2 . . . A 38 SER HB2 . 18514 1 335 . 1 1 31 31 SER HB3 H 1 3.7760 0.02 . 2 . . . A 38 SER HB3 . 18514 1 336 . 1 1 31 31 SER C C 13 173.5660 0.3 . 1 . . . A 38 SER C . 18514 1 337 . 1 1 31 31 SER CA C 13 56.4690 0.3 . 1 . . . A 38 SER CA . 18514 1 338 . 1 1 31 31 SER CB C 13 63.4610 0.3 . 1 . . . A 38 SER CB . 18514 1 339 . 1 1 31 31 SER N N 15 109.6710 0.2 . 1 . . . A 38 SER N . 18514 1 340 . 1 1 32 32 TYR H H 1 7.4100 0.02 . 1 . . . A 39 TYR H . 18514 1 341 . 1 1 32 32 TYR HA H 1 3.0870 0.02 . 1 . . . A 39 TYR HA . 18514 1 342 . 1 1 32 32 TYR HB2 H 1 3.0790 0.02 . 2 . . . A 39 TYR HB2 . 18514 1 343 . 1 1 32 32 TYR HB3 H 1 2.8830 0.02 . 2 . . . A 39 TYR HB3 . 18514 1 344 . 1 1 32 32 TYR HD1 H 1 6.8300 0.02 . 3 . . . A 39 TYR HD1 . 18514 1 345 . 1 1 32 32 TYR HD2 H 1 6.8300 0.02 . 3 . . . A 39 TYR HD2 . 18514 1 346 . 1 1 32 32 TYR HE1 H 1 6.7230 0.02 . 3 . . . A 39 TYR HE1 . 18514 1 347 . 1 1 32 32 TYR HE2 H 1 6.7230 0.02 . 3 . . . A 39 TYR HE2 . 18514 1 348 . 1 1 32 32 TYR C C 13 176.7280 0.3 . 1 . . . A 39 TYR C . 18514 1 349 . 1 1 32 32 TYR CA C 13 58.6160 0.3 . 1 . . . A 39 TYR CA . 18514 1 350 . 1 1 32 32 TYR CB C 13 34.5500 0.3 . 1 . . . A 39 TYR CB . 18514 1 351 . 1 1 32 32 TYR CD1 C 13 133.1000 0.3 . 3 . . . A 39 TYR CD1 . 18514 1 352 . 1 1 32 32 TYR CD2 C 13 133.1000 0.3 . 1 . . . A 39 TYR CD2 . 18514 1 353 . 1 1 32 32 TYR CE1 C 13 117.9600 0.3 . 3 . . . A 39 TYR CE1 . 18514 1 354 . 1 1 32 32 TYR CE2 C 13 117.9600 0.3 . 1 . . . A 39 TYR CE2 . 18514 1 355 . 1 1 32 32 TYR N N 15 116.0960 0.2 . 1 . . . A 39 TYR N . 18514 1 356 . 1 1 33 33 ASN H H 1 8.2570 0.02 . 1 . . . A 40 ASN H . 18514 1 357 . 1 1 33 33 ASN HA H 1 5.0030 0.02 . 1 . . . A 40 ASN HA . 18514 1 358 . 1 1 33 33 ASN HB2 H 1 2.8570 0.02 . 2 . . . A 40 ASN HB2 . 18514 1 359 . 1 1 33 33 ASN HB3 H 1 2.4780 0.02 . 2 . . . A 40 ASN HB3 . 18514 1 360 . 1 1 33 33 ASN HD21 H 1 7.0940 0.02 . 2 . . . A 40 ASN HD21 . 18514 1 361 . 1 1 33 33 ASN HD22 H 1 7.9430 0.02 . 2 . . . A 40 ASN HD22 . 18514 1 362 . 1 1 33 33 ASN C C 13 176.0830 0.3 . 1 . . . A 40 ASN C . 18514 1 363 . 1 1 33 33 ASN CA C 13 52.1440 0.3 . 1 . . . A 40 ASN CA . 18514 1 364 . 1 1 33 33 ASN CB C 13 43.5540 0.3 . 1 . . . A 40 ASN CB . 18514 1 365 . 1 1 33 33 ASN N N 15 116.5490 0.2 . 1 . . . A 40 ASN N . 18514 1 366 . 1 1 33 33 ASN ND2 N 15 114.9700 0.2 . 1 . . . A 40 ASN ND2 . 18514 1 367 . 1 1 34 34 SER H H 1 8.7200 0.02 . 1 . . . A 41 SER H . 18514 1 368 . 1 1 34 34 SER HA H 1 4.4770 0.02 . 1 . . . A 41 SER HA . 18514 1 369 . 1 1 34 34 SER HB2 H 1 3.5920 0.02 . 2 . . . A 41 SER HB2 . 18514 1 370 . 1 1 34 34 SER HB3 H 1 4.0850 0.02 . 2 . . . A 41 SER HB3 . 18514 1 371 . 1 1 34 34 SER C C 13 174.8500 0.3 . 1 . . . A 41 SER C . 18514 1 372 . 1 1 34 34 SER CA C 13 57.6250 0.3 . 1 . . . A 41 SER CA . 18514 1 373 . 1 1 34 34 SER CB C 13 65.0000 0.3 . 1 . . . A 41 SER CB . 18514 1 374 . 1 1 34 34 SER N N 15 115.0710 0.2 . 1 . . . A 41 SER N . 18514 1 375 . 1 1 35 35 CYS H H 1 8.6960 0.02 . 1 . . . A 42 CYS H . 18514 1 376 . 1 1 35 35 CYS HA H 1 5.6800 0.02 . 1 . . . A 42 CYS HA . 18514 1 377 . 1 1 35 35 CYS HB2 H 1 2.6600 0.02 . 2 . . . A 42 CYS HB2 . 18514 1 378 . 1 1 35 35 CYS HB3 H 1 3.5980 0.02 . 2 . . . A 42 CYS HB3 . 18514 1 379 . 1 1 35 35 CYS C C 13 174.8500 0.3 . 1 . . . A 42 CYS C . 18514 1 380 . 1 1 35 35 CYS CA C 13 59.7840 0.3 . 1 . . . A 42 CYS CA . 18514 1 381 . 1 1 35 35 CYS CB C 13 31.9480 0.3 . 1 . . . A 42 CYS CB . 18514 1 382 . 1 1 35 35 CYS N N 15 115.9500 0.2 . 1 . . . A 42 CYS N . 18514 1 383 . 1 1 36 36 ALA H H 1 8.0020 0.02 . 1 . . . A 43 ALA H . 18514 1 384 . 1 1 36 36 ALA HA H 1 4.2170 0.02 . 1 . . . A 43 ALA HA . 18514 1 385 . 1 1 36 36 ALA HB1 H 1 1.2840 0.02 . 1 . . . A 43 ALA HB1 . 18514 1 386 . 1 1 36 36 ALA HB2 H 1 1.2840 0.02 . 1 . . . A 43 ALA HB2 . 18514 1 387 . 1 1 36 36 ALA HB3 H 1 1.2840 0.02 . 1 . . . A 43 ALA HB3 . 18514 1 388 . 1 1 36 36 ALA C C 13 173.5720 0.3 . 1 . . . A 43 ALA C . 18514 1 389 . 1 1 36 36 ALA CA C 13 54.3290 0.3 . 1 . . . A 43 ALA CA . 18514 1 390 . 1 1 36 36 ALA CB C 13 17.8350 0.3 . 1 . . . A 43 ALA CB . 18514 1 391 . 1 1 36 36 ALA N N 15 124.4170 0.2 . 1 . . . A 43 ALA N . 18514 1 392 . 1 1 37 37 GLY H H 1 8.9320 0.02 . 1 . . . A 44 GLY H . 18514 1 393 . 1 1 37 37 GLY HA2 H 1 4.0590 0.02 . 2 . . . A 44 GLY HA2 . 18514 1 394 . 1 1 37 37 GLY HA3 H 1 3.7410 0.02 . 2 . . . A 44 GLY HA3 . 18514 1 395 . 1 1 37 37 GLY C C 13 170.2630 0.3 . 1 . . . A 44 GLY C . 18514 1 396 . 1 1 37 37 GLY CA C 13 45.7170 0.3 . 1 . . . A 44 GLY CA . 18514 1 397 . 1 1 37 37 GLY N N 15 113.5240 0.2 . 1 . . . A 44 GLY N . 18514 1 398 . 1 1 38 38 CYS H H 1 7.6410 0.02 . 1 . . . A 45 CYS H . 18514 1 399 . 1 1 38 38 CYS HA H 1 4.0760 0.02 . 1 . . . A 45 CYS HA . 18514 1 400 . 1 1 38 38 CYS HB2 H 1 3.6270 0.02 . 2 . . . A 45 CYS HB2 . 18514 1 401 . 1 1 38 38 CYS HB3 H 1 3.3380 0.02 . 2 . . . A 45 CYS HB3 . 18514 1 402 . 1 1 38 38 CYS C C 13 170.2630 0.3 . 1 . . . A 45 CYS C . 18514 1 403 . 1 1 38 38 CYS CA C 13 61.8860 0.3 . 1 . . . A 45 CYS CA . 18514 1 404 . 1 1 38 38 CYS CB C 13 33.6220 0.3 . 1 . . . A 45 CYS CB . 18514 1 405 . 1 1 38 38 CYS N N 15 120.1840 0.2 . 1 . . . A 45 CYS N . 18514 1 406 . 1 1 39 39 HIS H H 1 8.2340 0.02 . 1 . . . A 46 HIS H . 18514 1 407 . 1 1 39 39 HIS HA H 1 5.0500 0.02 . 1 . . . A 46 HIS HA . 18514 1 408 . 1 1 39 39 HIS HB2 H 1 3.6100 0.02 . 2 . . . A 46 HIS HB2 . 18514 1 409 . 1 1 39 39 HIS HB3 H 1 2.8400 0.02 . 2 . . . A 46 HIS HB3 . 18514 1 410 . 1 1 39 39 HIS HD2 H 1 6.9970 0.02 . 1 . . . A 46 HIS HD2 . 18514 1 411 . 1 1 39 39 HIS HE1 H 1 8.0940 0.02 . 1 . . . A 46 HIS HE1 . 18514 1 412 . 1 1 39 39 HIS C C 13 174.2230 0.3 . 1 . . . A 46 HIS C . 18514 1 413 . 1 1 39 39 HIS CA C 13 54.4890 0.3 . 1 . . . A 46 HIS CA . 18514 1 414 . 1 1 39 39 HIS CB C 13 29.6880 0.3 . 1 . . . A 46 HIS CB . 18514 1 415 . 1 1 39 39 HIS CD2 C 13 119.7200 0.3 . 1 . . . A 46 HIS CD2 . 18514 1 416 . 1 1 39 39 HIS CE1 C 13 137.7400 0.3 . 1 . . . A 46 HIS CE1 . 18514 1 417 . 1 1 39 39 HIS N N 15 118.1560 0.2 . 1 . . . A 46 HIS N . 18514 1 418 . 1 1 40 40 CYS H H 1 7.4030 0.02 . 1 . . . A 47 CYS H . 18514 1 419 . 1 1 40 40 CYS HA H 1 4.8220 0.02 . 1 . . . A 47 CYS HA . 18514 1 420 . 1 1 40 40 CYS HB2 H 1 3.3930 0.02 . 2 . . . A 47 CYS HB2 . 18514 1 421 . 1 1 40 40 CYS HB3 H 1 2.7970 0.02 . 2 . . . A 47 CYS HB3 . 18514 1 422 . 1 1 40 40 CYS C C 13 176.2960 0.3 . 1 . . . A 47 CYS C . 18514 1 423 . 1 1 40 40 CYS CA C 13 55.5960 0.3 . 1 . . . A 47 CYS CA . 18514 1 424 . 1 1 40 40 CYS CB C 13 33.2380 0.3 . 1 . . . A 47 CYS CB . 18514 1 425 . 1 1 40 40 CYS N N 15 118.3540 0.2 . 1 . . . A 47 CYS N . 18514 1 426 . 1 1 41 41 VAL H H 1 8.2050 0.02 . 1 . . . A 48 VAL H . 18514 1 427 . 1 1 41 41 VAL HA H 1 4.2310 0.02 . 1 . . . A 48 VAL HA . 18514 1 428 . 1 1 41 41 VAL HB H 1 1.6850 0.02 . 1 . . . A 48 VAL HB . 18514 1 429 . 1 1 41 41 VAL HG11 H 1 0.8900 0.02 . 2 . . . A 48 VAL HG11 . 18514 1 430 . 1 1 41 41 VAL HG12 H 1 0.8900 0.02 . 2 . . . A 48 VAL HG12 . 18514 1 431 . 1 1 41 41 VAL HG13 H 1 0.8900 0.02 . 2 . . . A 48 VAL HG13 . 18514 1 432 . 1 1 41 41 VAL HG21 H 1 0.8900 0.02 . 2 . . . A 48 VAL HG21 . 18514 1 433 . 1 1 41 41 VAL HG22 H 1 0.8900 0.02 . 2 . . . A 48 VAL HG22 . 18514 1 434 . 1 1 41 41 VAL HG23 H 1 0.8900 0.02 . 2 . . . A 48 VAL HG23 . 18514 1 435 . 1 1 41 41 VAL C C 13 174.2650 0.3 . 1 . . . A 48 VAL C . 18514 1 436 . 1 1 41 41 VAL CA C 13 61.2310 0.3 . 1 . . . A 48 VAL CA . 18514 1 437 . 1 1 41 41 VAL CB C 13 34.6980 0.3 . 1 . . . A 48 VAL CB . 18514 1 438 . 1 1 41 41 VAL CG1 C 13 21.5000 0.3 . 2 . . . A 48 VAL CG1 . 18514 1 439 . 1 1 41 41 VAL CG2 C 13 21.0440 0.3 . 2 . . . A 48 VAL CG2 . 18514 1 440 . 1 1 41 41 VAL N N 15 118.9680 0.2 . 1 . . . A 48 VAL N . 18514 1 441 . 1 1 42 42 GLY H H 1 8.6340 0.02 . 1 . . . A 49 GLY H . 18514 1 442 . 1 1 42 42 GLY HA2 H 1 3.8220 0.02 . 2 . . . A 49 GLY HA2 . 18514 1 443 . 1 1 42 42 GLY HA3 H 1 3.7200 0.02 . 2 . . . A 49 GLY HA3 . 18514 1 444 . 1 1 42 42 GLY C C 13 174.2230 0.3 . 1 . . . A 49 GLY C . 18514 1 445 . 1 1 42 42 GLY CA C 13 46.1130 0.3 . 1 . . . A 49 GLY CA . 18514 1 446 . 1 1 42 42 GLY N N 15 115.7260 0.2 . 1 . . . A 49 GLY N . 18514 1 447 . 1 1 43 43 CYS H H 1 7.6700 0.02 . 1 . . . A 50 CYS H . 18514 1 448 . 1 1 43 43 CYS HA H 1 3.1570 0.02 . 1 . . . A 50 CYS HA . 18514 1 449 . 1 1 43 43 CYS HB2 H 1 2.6460 0.02 . 2 . . . A 50 CYS HB2 . 18514 1 450 . 1 1 43 43 CYS HB3 H 1 3.6290 0.02 . 2 . . . A 50 CYS HB3 . 18514 1 451 . 1 1 43 43 CYS C C 13 173.4280 0.3 . 1 . . . A 50 CYS C . 18514 1 452 . 1 1 43 43 CYS CA C 13 63.3460 0.3 . 1 . . . A 50 CYS CA . 18514 1 453 . 1 1 43 43 CYS CB C 13 33.1260 0.3 . 1 . . . A 50 CYS CB . 18514 1 454 . 1 1 43 43 CYS N N 15 119.9170 0.2 . 1 . . . A 50 CYS N . 18514 1 455 . 1 1 44 44 LYS H H 1 7.9340 0.02 . 1 . . . A 51 LYS H . 18514 1 456 . 1 1 44 44 LYS HA H 1 4.5980 0.02 . 1 . . . A 51 LYS HA . 18514 1 457 . 1 1 44 44 LYS HB2 H 1 1.9540 0.02 . 2 . . . A 51 LYS HB2 . 18514 1 458 . 1 1 44 44 LYS HB3 H 1 1.6940 0.02 . 2 . . . A 51 LYS HB3 . 18514 1 459 . 1 1 44 44 LYS HG2 H 1 1.5100 0.02 . 2 . . . A 51 LYS HG2 . 18514 1 460 . 1 1 44 44 LYS HG3 H 1 1.5100 0.02 . 2 . . . A 51 LYS HG3 . 18514 1 461 . 1 1 44 44 LYS HD2 H 1 1.5100 0.02 . 2 . . . A 51 LYS HD2 . 18514 1 462 . 1 1 44 44 LYS HD3 H 1 1.6350 0.02 . 2 . . . A 51 LYS HD3 . 18514 1 463 . 1 1 44 44 LYS HE2 H 1 2.9650 0.02 . 2 . . . A 51 LYS HE2 . 18514 1 464 . 1 1 44 44 LYS HE3 H 1 2.9650 0.02 . 2 . . . A 51 LYS HE3 . 18514 1 465 . 1 1 44 44 LYS C C 13 171.7760 0.3 . 1 . . . A 51 LYS C . 18514 1 466 . 1 1 44 44 LYS CA C 13 54.0360 0.3 . 1 . . . A 51 LYS CA . 18514 1 467 . 1 1 44 44 LYS CB C 13 31.7250 0.3 . 1 . . . A 51 LYS CB . 18514 1 468 . 1 1 44 44 LYS CG C 13 23.7000 0.3 . 1 . . . A 51 LYS CG . 18514 1 469 . 1 1 44 44 LYS CD C 13 29.0000 0.3 . 1 . . . A 51 LYS CD . 18514 1 470 . 1 1 44 44 LYS CE C 13 42.0000 0.3 . 1 . . . A 51 LYS CE . 18514 1 471 . 1 1 44 44 LYS N N 15 128.0570 0.2 . 1 . . . A 51 LYS N . 18514 1 472 . 1 1 45 45 ASN H H 1 9.0760 0.02 . 1 . . . A 52 ASN H . 18514 1 473 . 1 1 45 45 ASN HA H 1 4.7670 0.02 . 1 . . . A 52 ASN HA . 18514 1 474 . 1 1 45 45 ASN HB2 H 1 3.3270 0.02 . 2 . . . A 52 ASN HB2 . 18514 1 475 . 1 1 45 45 ASN HB3 H 1 3.0970 0.02 . 2 . . . A 52 ASN HB3 . 18514 1 476 . 1 1 45 45 ASN HD21 H 1 8.0960 0.02 . 2 . . . A 52 ASN HD21 . 18514 1 477 . 1 1 45 45 ASN HD22 H 1 7.8120 0.02 . 2 . . . A 52 ASN HD22 . 18514 1 478 . 1 1 45 45 ASN C C 13 171.7760 0.3 . 1 . . . A 52 ASN C . 18514 1 479 . 1 1 45 45 ASN CA C 13 52.2500 0.3 . 1 . . . A 52 ASN CA . 18514 1 480 . 1 1 45 45 ASN CB C 13 39.5200 0.3 . 1 . . . A 52 ASN CB . 18514 1 481 . 1 1 45 45 ASN N N 15 125.2590 0.2 . 1 . . . A 52 ASN N . 18514 1 482 . 1 1 45 45 ASN ND2 N 15 111.6370 0.2 . 1 . . . A 52 ASN ND2 . 18514 1 483 . 1 1 46 46 PRO HA H 1 4.4630 0.02 . 1 . . . A 53 PRO HA . 18514 1 484 . 1 1 46 46 PRO HB2 H 1 2.1510 0.02 . 2 . . . A 53 PRO HB2 . 18514 1 485 . 1 1 46 46 PRO HB3 H 1 1.9630 0.02 . 2 . . . A 53 PRO HB3 . 18514 1 486 . 1 1 46 46 PRO HG2 H 1 2.1230 0.02 . 2 . . . A 53 PRO HG2 . 18514 1 487 . 1 1 46 46 PRO HG3 H 1 1.5600 0.02 . 2 . . . A 53 PRO HG3 . 18514 1 488 . 1 1 46 46 PRO HD2 H 1 4.0000 0.02 . 2 . . . A 53 PRO HD2 . 18514 1 489 . 1 1 46 46 PRO HD3 H 1 4.2200 0.02 . 2 . . . A 53 PRO HD3 . 18514 1 490 . 1 1 46 46 PRO CA C 13 63.1310 0.3 . 1 . . . A 53 PRO CA . 18514 1 491 . 1 1 46 46 PRO CB C 13 32.3310 0.3 . 1 . . . A 53 PRO CB . 18514 1 492 . 1 1 46 46 PRO CG C 13 26.1000 0.3 . 1 . . . A 53 PRO CG . 18514 1 493 . 1 1 46 46 PRO CD C 13 50.5000 0.3 . 1 . . . A 53 PRO CD . 18514 1 494 . 1 1 47 47 HIS H H 1 8.2360 0.02 . 1 . . . A 54 HIS H . 18514 1 495 . 1 1 47 47 HIS HA H 1 4.5140 0.02 . 1 . . . A 54 HIS HA . 18514 1 496 . 1 1 47 47 HIS HB2 H 1 2.8660 0.02 . 2 . . . A 54 HIS HB2 . 18514 1 497 . 1 1 47 47 HIS HB3 H 1 2.9310 0.02 . 2 . . . A 54 HIS HB3 . 18514 1 498 . 1 1 47 47 HIS HD2 H 1 7.0840 0.02 . 1 . . . A 54 HIS HD2 . 18514 1 499 . 1 1 47 47 HIS HE1 H 1 7.7700 0.02 . 1 . . . A 54 HIS HE1 . 18514 1 500 . 1 1 47 47 HIS C C 13 172.2040 0.3 . 1 . . . A 54 HIS C . 18514 1 501 . 1 1 47 47 HIS CA C 13 56.3040 0.3 . 1 . . . A 54 HIS CA . 18514 1 502 . 1 1 47 47 HIS CB C 13 27.9080 0.3 . 1 . . . A 54 HIS CB . 18514 1 503 . 1 1 47 47 HIS CD2 C 13 121.0300 0.3 . 1 . . . A 54 HIS CD2 . 18514 1 504 . 1 1 47 47 HIS CE1 C 13 137.4000 0.3 . 1 . . . A 54 HIS CE1 . 18514 1 505 . 1 1 47 47 HIS N N 15 121.1860 0.2 . 1 . . . A 54 HIS N . 18514 1 506 . 1 1 48 48 LYS H H 1 8.4700 0.02 . 1 . . . A 55 LYS H . 18514 1 507 . 1 1 48 48 LYS HA H 1 4.4610 0.02 . 1 . . . A 55 LYS HA . 18514 1 508 . 1 1 48 48 LYS HB2 H 1 1.7060 0.02 . 2 . . . A 55 LYS HB2 . 18514 1 509 . 1 1 48 48 LYS HB3 H 1 1.8920 0.02 . 2 . . . A 55 LYS HB3 . 18514 1 510 . 1 1 48 48 LYS HG2 H 1 1.4270 0.02 . 2 . . . A 55 LYS HG2 . 18514 1 511 . 1 1 48 48 LYS HG3 H 1 1.4270 0.02 . 2 . . . A 55 LYS HG3 . 18514 1 512 . 1 1 48 48 LYS HD2 H 1 1.6400 0.02 . 2 . . . A 55 LYS HD2 . 18514 1 513 . 1 1 48 48 LYS HD3 H 1 1.6400 0.02 . 2 . . . A 55 LYS HD3 . 18514 1 514 . 1 1 48 48 LYS HE2 H 1 2.9900 0.02 . 2 . . . A 55 LYS HE2 . 18514 1 515 . 1 1 48 48 LYS HE3 H 1 2.9900 0.02 . 2 . . . A 55 LYS HE3 . 18514 1 516 . 1 1 48 48 LYS C C 13 175.0660 0.3 . 1 . . . A 55 LYS C . 18514 1 517 . 1 1 48 48 LYS CA C 13 55.3200 0.3 . 1 . . . A 55 LYS CA . 18514 1 518 . 1 1 48 48 LYS CB C 13 34.1060 0.3 . 1 . . . A 55 LYS CB . 18514 1 519 . 1 1 48 48 LYS CG C 13 24.4120 0.3 . 1 . . . A 55 LYS CG . 18514 1 520 . 1 1 48 48 LYS CD C 13 28.5600 0.3 . 1 . . . A 55 LYS CD . 18514 1 521 . 1 1 48 48 LYS CE C 13 42.1000 0.3 . 1 . . . A 55 LYS CE . 18514 1 522 . 1 1 48 48 LYS N N 15 123.5560 0.2 . 1 . . . A 55 LYS N . 18514 1 523 . 1 1 49 49 GLU H H 1 8.5230 0.02 . 1 . . . A 56 GLU H . 18514 1 524 . 1 1 49 49 GLU HA H 1 4.3510 0.02 . 1 . . . A 56 GLU HA . 18514 1 525 . 1 1 49 49 GLU HB2 H 1 1.8900 0.02 . 2 . . . A 56 GLU HB2 . 18514 1 526 . 1 1 49 49 GLU HB3 H 1 1.9760 0.02 . 2 . . . A 56 GLU HB3 . 18514 1 527 . 1 1 49 49 GLU HG2 H 1 2.2500 0.02 . 2 . . . A 56 GLU HG2 . 18514 1 528 . 1 1 49 49 GLU HG3 H 1 2.2500 0.02 . 2 . . . A 56 GLU HG3 . 18514 1 529 . 1 1 49 49 GLU C C 13 173.2100 0.3 . 1 . . . A 56 GLU C . 18514 1 530 . 1 1 49 49 GLU CA C 13 56.3630 0.3 . 1 . . . A 56 GLU CA . 18514 1 531 . 1 1 49 49 GLU CB C 13 30.6230 0.3 . 1 . . . A 56 GLU CB . 18514 1 532 . 1 1 49 49 GLU CG C 13 36.3800 0.3 . 1 . . . A 56 GLU CG . 18514 1 533 . 1 1 49 49 GLU N N 15 121.1000 0.2 . 1 . . . A 56 GLU N . 18514 1 534 . 1 1 50 50 ASP H H 1 8.3960 0.02 . 1 . . . A 57 ASP H . 18514 1 535 . 1 1 50 50 ASP HA H 1 4.6690 0.02 . 1 . . . A 57 ASP HA . 18514 1 536 . 1 1 50 50 ASP HB2 H 1 2.6230 0.02 . 2 . . . A 57 ASP HB2 . 18514 1 537 . 1 1 50 50 ASP HB3 H 1 2.5200 0.02 . 2 . . . A 57 ASP HB3 . 18514 1 538 . 1 1 50 50 ASP C C 13 173.8450 0.3 . 1 . . . A 57 ASP C . 18514 1 539 . 1 1 50 50 ASP CA C 13 54.2910 0.3 . 1 . . . A 57 ASP CA . 18514 1 540 . 1 1 50 50 ASP CB C 13 41.4520 0.3 . 1 . . . A 57 ASP CB . 18514 1 541 . 1 1 50 50 ASP N N 15 121.5790 0.2 . 1 . . . A 57 ASP N . 18514 1 542 . 1 1 51 51 TYR H H 1 8.1760 0.02 . 1 . . . A 58 TYR H . 18514 1 543 . 1 1 51 51 TYR HA H 1 4.5170 0.02 . 1 . . . A 58 TYR HA . 18514 1 544 . 1 1 51 51 TYR HB2 H 1 3.0600 0.02 . 2 . . . A 58 TYR HB2 . 18514 1 545 . 1 1 51 51 TYR HB3 H 1 2.9800 0.02 . 2 . . . A 58 TYR HB3 . 18514 1 546 . 1 1 51 51 TYR HD1 H 1 7.1240 0.02 . 3 . . . A 58 TYR HD1 . 18514 1 547 . 1 1 51 51 TYR HD2 H 1 7.1240 0.02 . 3 . . . A 58 TYR HD2 . 18514 1 548 . 1 1 51 51 TYR HE1 H 1 6.8200 0.02 . 3 . . . A 58 TYR HE1 . 18514 1 549 . 1 1 51 51 TYR HE2 H 1 6.8200 0.02 . 3 . . . A 58 TYR HE2 . 18514 1 550 . 1 1 51 51 TYR C C 13 173.9680 0.3 . 1 . . . A 58 TYR C . 18514 1 551 . 1 1 51 51 TYR CA C 13 57.7960 0.3 . 1 . . . A 58 TYR CA . 18514 1 552 . 1 1 51 51 TYR CB C 13 38.9580 0.3 . 1 . . . A 58 TYR CB . 18514 1 553 . 1 1 51 51 TYR CD1 C 13 133.2700 0.3 . 1 . . . A 58 TYR CD1 . 18514 1 554 . 1 1 51 51 TYR CD2 C 13 133.2700 0.3 . 3 . . . A 58 TYR CD2 . 18514 1 555 . 1 1 51 51 TYR CE1 C 13 118.2000 0.3 . 1 . . . A 58 TYR CE1 . 18514 1 556 . 1 1 51 51 TYR CE2 C 13 118.2000 0.3 . 3 . . . A 58 TYR CE2 . 18514 1 557 . 1 1 51 51 TYR N N 15 120.8440 0.2 . 1 . . . A 58 TYR N . 18514 1 558 . 1 1 52 52 VAL H H 1 7.5400 0.02 . 1 . . . A 59 VAL H . 18514 1 559 . 1 1 52 52 VAL HA H 1 3.9900 0.02 . 1 . . . A 59 VAL HA . 18514 1 560 . 1 1 52 52 VAL HB H 1 2.0100 0.02 . 1 . . . A 59 VAL HB . 18514 1 561 . 1 1 52 52 VAL HG11 H 1 0.8640 0.02 . 2 . . . A 59 VAL HG11 . 18514 1 562 . 1 1 52 52 VAL HG12 H 1 0.8640 0.02 . 2 . . . A 59 VAL HG12 . 18514 1 563 . 1 1 52 52 VAL HG13 H 1 0.8640 0.02 . 2 . . . A 59 VAL HG13 . 18514 1 564 . 1 1 52 52 VAL HG21 H 1 0.8640 0.02 . 2 . . . A 59 VAL HG21 . 18514 1 565 . 1 1 52 52 VAL HG22 H 1 0.8640 0.02 . 2 . . . A 59 VAL HG22 . 18514 1 566 . 1 1 52 52 VAL HG23 H 1 0.8640 0.02 . 2 . . . A 59 VAL HG23 . 18514 1 567 . 1 1 52 52 VAL C C 13 174.3920 0.3 . 1 . . . A 59 VAL C . 18514 1 568 . 1 1 52 52 VAL CA C 13 61.2850 0.3 . 1 . . . A 59 VAL CA . 18514 1 569 . 1 1 52 52 VAL CB C 13 33.5010 0.3 . 1 . . . A 59 VAL CB . 18514 1 570 . 1 1 52 52 VAL CG1 C 13 21.3000 0.3 . 2 . . . A 59 VAL CG1 . 18514 1 571 . 1 1 52 52 VAL CG2 C 13 21.3000 0.3 . 2 . . . A 59 VAL CG2 . 18514 1 572 . 1 1 52 52 VAL N N 15 125.9000 0.2 . 1 . . . A 59 VAL N . 18514 1 stop_ save_