data_18956 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18956 _Entry.Title ; STRUCTURE OF NAB2P TANDEM ZINC FINGER 34 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-01-16 _Entry.Accession_date 2013-01-16 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 S. Martinez-lubreras . . . 18956 2 C. Santiveri . M. . 18956 3 Y. Mirassou . . . 18956 4 S. Zorrilla . . . 18956 5 'Jose Manuel' Perez-Canadillas . . . 18956 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' . 18956 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . Perez-CanadillasGroup . 18956 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'CCCH-TYPE ZINC FINGER' . 18956 'MRNA EXPORT' . 18956 'POL LENGTH CONTROL' . 18956 'POLYADENOSINE RNA BINDING' . 18956 'POLYADENOSINE RNA BINDING.' . 18956 'POLY(A) LENGHT CONTROL' . 18956 'RNA BINDING PROTEIN' . 18956 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18956 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 301 18956 '15N chemical shifts' 72 18956 '1H chemical shifts' 486 18956 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-12-11 2013-01-16 update BMRB 'update entry citation' 18956 1 . . 2013-08-29 2013-01-16 original author 'original release' 18956 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18955 'Structure of NAB2P tandem Zinc finger 12' 18956 PDB 3zj1 'Structure of NAB2P tandem Zinc finger 12' 18956 PDB 3ZJ2 'BMRB Entry Tracking System' 18956 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18956 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23994011 _Citation.Full_citation . _Citation.Title 'Two singular types of CCCH tandem zinc finger in Nab2p contribute to polyadenosine RNA recognition.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full 'Structure (London, England : 1993)' _Citation.Journal_volume 21 _Citation.Journal_issue 10 _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 1800 _Citation.Page_last 1811 _Citation.Year 2013 _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 Santiago Martinez-Lumbreras . . . 18956 1 2 Clara Santiveri . M. . 18956 1 3 Yasmina Mirassou . . . 18956 1 4 Silvia Zorrilla . . . 18956 1 5 'Jose Manuel' Perez-Canadillas . . . 18956 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18956 _Assembly.ID 1 _Assembly.Name 'STRUCTURE OF NAB2P TANDEM ZINC FINGER 34' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 2 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass 7814.6046 _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 'NUCLEAR POLYADENYLATED RNA-BINDING PROTEIN NAB2' 1 $NUCLEAR_POLYADENYLATED_RNA-BINDING_PROTEIN_NAB2 A . yes native no no . . . 18956 1 2 'ZINC ION, 1' 2 $entity_ZN B . no native no no . . . 18956 1 3 'ZINC ION, 2' 2 $entity_ZN C . no native no no . . . 18956 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NUCLEAR_POLYADENYLATED_RNA-BINDING_PROTEIN_NAB2 _Entity.Sf_category entity _Entity.Sf_framecode NUCLEAR_POLYADENYLATED_RNA-BINDING_PROTEIN_NAB2 _Entity.Entry_ID 18956 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name NUCLEAR_POLYADENYLATED_RNA-BINDING_PROTEIN_NAB2 _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 ; GSVQTGIVLCKFGALCSNPS CPFGHPTPANEDAKVIDLMW CDKNLTCDNPECRKAHSSLS KIKEVKPISQK ; _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 71 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'Zinc fingers 3 and 4' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7683.8446 _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 yes UNP NAB2_YEAST . P32505 . . . "THE TWO N-TERMINAL RESIDUES (GS) ARE NOT FROM WILD TYPE SEQUENCE" . . . . . . . . . . 18956 1 2 no PDB 3ZJ2 . "Structure Of Nab2p Tandem Zinc Finger 34" . . . . . 98.59 71 100.00 100.00 7.89e-43 . . . . 18956 1 3 no DBJ GAA23273 . "K7_Nab2p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 97.18 504 100.00 100.00 4.40e-40 . . . . 18956 1 4 no EMBL CAA96830 . "NAB2 [Saccharomyces cerevisiae]" . . . . . 97.18 525 100.00 100.00 3.75e-40 . . . . 18956 1 5 no EMBL CAY79645 . "Nab2p [Saccharomyces cerevisiae EC1118]" . . . . . 97.18 497 100.00 100.00 5.16e-40 . . . . 18956 1 6 no GB AAA34819 . "RNA-binding protein [Saccharomyces cerevisiae]" . . . . . 97.18 525 100.00 100.00 3.75e-40 . . . . 18956 1 7 no GB AAA34820 . "RNA-binding protein [Saccharomyces cerevisiae]" . . . . . 97.18 497 100.00 100.00 5.16e-40 . . . . 18956 1 8 no GB AAU09727 . "YGL122C [Saccharomyces cerevisiae]" . . . . . 97.18 525 100.00 100.00 3.75e-40 . . . . 18956 1 9 no GB AHY79261 . "Nab2p [Saccharomyces cerevisiae YJM993]" . . . . . 97.18 497 100.00 100.00 5.16e-40 . . . . 18956 1 10 no GB AJP38679 . "Nab2p [Saccharomyces cerevisiae YJM1078]" . . . . . 97.18 497 100.00 100.00 5.16e-40 . . . . 18956 1 11 no REF NP_011393 . "mRNA-binding protein NAB2 [Saccharomyces cerevisiae S288c]" . . . . . 97.18 525 100.00 100.00 3.75e-40 . . . . 18956 1 12 no SP P32505 . "RecName: Full=Nuclear polyadenylated RNA-binding protein NAB2" . . . . . 97.18 525 100.00 100.00 3.75e-40 . . . . 18956 1 13 no TPG DAA07987 . "TPA: mRNA-binding protein NAB2 [Saccharomyces cerevisiae S288c]" . . . . . 97.18 525 100.00 100.00 3.75e-40 . . . . 18956 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 . 18956 1 2 . SER . 18956 1 3 . VAL . 18956 1 4 . GLN . 18956 1 5 . THR . 18956 1 6 . GLY . 18956 1 7 . ILE . 18956 1 8 . VAL . 18956 1 9 . LEU . 18956 1 10 . CYS . 18956 1 11 . LYS . 18956 1 12 . PHE . 18956 1 13 . GLY . 18956 1 14 . ALA . 18956 1 15 . LEU . 18956 1 16 . CYS . 18956 1 17 . SER . 18956 1 18 . ASN . 18956 1 19 . PRO . 18956 1 20 . SER . 18956 1 21 . CYS . 18956 1 22 . PRO . 18956 1 23 . PHE . 18956 1 24 . GLY . 18956 1 25 . HIS . 18956 1 26 . PRO . 18956 1 27 . THR . 18956 1 28 . PRO . 18956 1 29 . ALA . 18956 1 30 . ASN . 18956 1 31 . GLU . 18956 1 32 . ASP . 18956 1 33 . ALA . 18956 1 34 . LYS . 18956 1 35 . VAL . 18956 1 36 . ILE . 18956 1 37 . ASP . 18956 1 38 . LEU . 18956 1 39 . MET . 18956 1 40 . TRP . 18956 1 41 . CYS . 18956 1 42 . ASP . 18956 1 43 . LYS . 18956 1 44 . ASN . 18956 1 45 . LEU . 18956 1 46 . THR . 18956 1 47 . CYS . 18956 1 48 . ASP . 18956 1 49 . ASN . 18956 1 50 . PRO . 18956 1 51 . GLU . 18956 1 52 . CYS . 18956 1 53 . ARG . 18956 1 54 . LYS . 18956 1 55 . ALA . 18956 1 56 . HIS . 18956 1 57 . SER . 18956 1 58 . SER . 18956 1 59 . LEU . 18956 1 60 . SER . 18956 1 61 . LYS . 18956 1 62 . ILE . 18956 1 63 . LYS . 18956 1 64 . GLU . 18956 1 65 . VAL . 18956 1 66 . LYS . 18956 1 67 . PRO . 18956 1 68 . ILE . 18956 1 69 . SER . 18956 1 70 . GLN . 18956 1 71 . LYS . 18956 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 18956 1 . SER 2 2 18956 1 . VAL 3 3 18956 1 . GLN 4 4 18956 1 . THR 5 5 18956 1 . GLY 6 6 18956 1 . ILE 7 7 18956 1 . VAL 8 8 18956 1 . LEU 9 9 18956 1 . CYS 10 10 18956 1 . LYS 11 11 18956 1 . PHE 12 12 18956 1 . GLY 13 13 18956 1 . ALA 14 14 18956 1 . LEU 15 15 18956 1 . CYS 16 16 18956 1 . SER 17 17 18956 1 . ASN 18 18 18956 1 . PRO 19 19 18956 1 . SER 20 20 18956 1 . CYS 21 21 18956 1 . PRO 22 22 18956 1 . PHE 23 23 18956 1 . GLY 24 24 18956 1 . HIS 25 25 18956 1 . PRO 26 26 18956 1 . THR 27 27 18956 1 . PRO 28 28 18956 1 . ALA 29 29 18956 1 . ASN 30 30 18956 1 . GLU 31 31 18956 1 . ASP 32 32 18956 1 . ALA 33 33 18956 1 . LYS 34 34 18956 1 . VAL 35 35 18956 1 . ILE 36 36 18956 1 . ASP 37 37 18956 1 . LEU 38 38 18956 1 . MET 39 39 18956 1 . TRP 40 40 18956 1 . CYS 41 41 18956 1 . ASP 42 42 18956 1 . LYS 43 43 18956 1 . ASN 44 44 18956 1 . LEU 45 45 18956 1 . THR 46 46 18956 1 . CYS 47 47 18956 1 . ASP 48 48 18956 1 . ASN 49 49 18956 1 . PRO 50 50 18956 1 . GLU 51 51 18956 1 . CYS 52 52 18956 1 . ARG 53 53 18956 1 . LYS 54 54 18956 1 . ALA 55 55 18956 1 . HIS 56 56 18956 1 . SER 57 57 18956 1 . SER 58 58 18956 1 . LEU 59 59 18956 1 . SER 60 60 18956 1 . LYS 61 61 18956 1 . ILE 62 62 18956 1 . LYS 63 63 18956 1 . GLU 64 64 18956 1 . VAL 65 65 18956 1 . LYS 66 66 18956 1 . PRO 67 67 18956 1 . ILE 68 68 18956 1 . SER 69 69 18956 1 . GLN 70 70 18956 1 . LYS 71 71 18956 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 18956 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name entity_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 . _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 . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 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 18956 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 18956 2 ZN 'Three letter code' 18956 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 18956 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 18956 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 18956 _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 $NUCLEAR_POLYADENYLATED_RNA-BINDING_PROTEIN_NAB2 . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 18956 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 18956 _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 $NUCLEAR_POLYADENYLATED_RNA-BINDING_PROTEIN_NAB2 . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . pET28 . . n/a . . . . . . 18956 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 18956 _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 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _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 . _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 18956 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 18956 ZN [Zn++] SMILES CACTVS 3.341 18956 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 18956 ZN [Zn+2] SMILES ACDLabs 10.04 18956 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 18956 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 18956 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 18956 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 18956 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 . 18956 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18956 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mmol/l' _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 'NUCLEAR POLYADENYLATED RNA-BINDING PROTEIN NAB2' '[U-13C; U-15N]' . . 1 $NUCLEAR_POLYADENYLATED_RNA-BINDING_PROTEIN_NAB2 . . 0.5 . . mM . . . . 18956 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18956 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mmol/l' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'NUCLEAR POLYADENYLATED RNA-BINDING PROTEIN NAB2' '[U-13C; U-15N]' . . 1 $NUCLEAR_POLYADENYLATED_RNA-BINDING_PROTEIN_NAB2 . . 0.5 . . mM . . . . 18956 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 18956 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'pH [6.5], temp [298], pressure [1], ionStrength [25.0]' 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' 25.000 . mM 18956 1 pH 6.500 . pH 18956 1 pressure 1.000 . atm 18956 1 temperature 298.000 . K 18956 1 stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 18956 _Software.ID 1 _Software.Name AMBER _Software.Version any _Software.Details 'REFINEMENT PROTOCOL AS DESCRIBED IN THE' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, D.A. et al' . . 18956 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18956 1 stop_ save_ save_ANALYSIS _Software.Sf_category software _Software.Sf_framecode ANALYSIS _Software.Entry_ID 18956 _Software.ID 2 _Software.Name ANALYSIS _Software.Version any _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Analysis . . 18956 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18956 2 stop_ save_ save_AutoDep _Software.Sf_category software _Software.Sf_framecode AutoDep _Software.Entry_ID 18956 _Software.ID 3 _Software.Name AutoDep _Software.Version 4.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID PDBe . . 18956 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18956 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18956 _Software.ID 4 _Software.Name CYANA _Software.Version any _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18956 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18956 4 stop_ save_ save_NMRPIPE _Software.Sf_category software _Software.Sf_framecode NMRPIPE _Software.Entry_ID 18956 _Software.ID 5 _Software.Name NMRPipe _Software.Version any _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18956 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18956 5 stop_ save_ save_method_CYANA _Method.Sf_category method _Method.Sf_framecode method_CYANA _Method.Entry_ID 18956 _Method.ID 1 _Method.Derivation_type . _Method.Details CYANA _Method.Computer_ID . _Method.Computer_label . save_ save_method_AMBER _Method.Sf_category method _Method.Sf_framecode method_AMBER _Method.Entry_ID 18956 _Method.ID 2 _Method.Derivation_type . _Method.Details AMBER _Method.Computer_ID . _Method.Computer_label . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_Avance-600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_Avance-600 _NMR_spectrometer.Entry_ID 18956 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_Bruker_Avance-800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_Avance-800 _NMR_spectrometer.Entry_ID 18956 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 18956 _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 Bruker_Avance-600 Bruker Avance . 600 . . . 18956 1 2 Bruker_Avance-800 Bruker Avance . 800 . . . 18956 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 18956 _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 '1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-600 . . . . . . . . . . . . . . . . 18956 1 2 '1H-15N HMBC' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-600 . . . . . . . . . . . . . . . . 18956 1 3 '1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-600 . . . . . . . . . . . . . . . . 18956 1 4 HNCO no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-600 . . . . . . . . . . . . . . . . 18956 1 5 HN(CA)CO no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-600 . . . . . . . . . . . . . . . . 18956 1 6 HNCA no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-600 . . . . . . . . . . . . . . . . 18956 1 7 HNCACB no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-600 . . . . . . . . . . . . . . . . 18956 1 8 CBCA(CO)HN no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-600 . . . . . . . . . . . . . . . . 18956 1 9 H(C)CH-TOCSY no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-600 . . . . . . . . . . . . . . . . 18956 1 10 (H)CCH-TOCSY no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-600 . . . . . . . . . . . . . . . . 18956 1 11 '(HB)CB(CGCD)HD Aro' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-600 . . . . . . . . . . . . . . . . 18956 1 12 '(HB)CB(CGCDCE)HE Aro' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-600 . . . . . . . . . . . . . . . . 18956 1 13 '15N HSQC-NOESY' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-600 . . . . . . . . . . . . . . . . 18956 1 14 'NOESY and TOCSY' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-600 . . . . . . . . . . . . . . . . 18956 1 15 '1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 2 $Bruker_Avance-800 . . . . . . . . . . . . . . . . 18956 1 16 H(C)CH-TOCSY no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 2 $Bruker_Avance-800 . . . . . . . . . . . . . . . . 18956 1 17 (H)CCH-TOCSY no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 2 $Bruker_Avance-800 . . . . . . . . . . . . . . . . 18956 1 18 'NOESY AND TOCSY' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 2 $Bruker_Avance-800 . . . . . . . . . . . . . . . . 18956 1 19 NOESY no . . . . . . . . . . 2 $sample_2 solution . . 1 $sample_conditions_1 . . . 2 $Bruker_Avance-800 . . . . . . . . . . . . . . . . 18956 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 18956 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal indirect 1 . . . . . . . . . 18956 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 18956 _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 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/3zj2/ebi/Nab2_Z34_CS_curated.dat.csh' _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 '1H-15N HSQC' 1 $sample_1 solution 18956 1 2 '1H-15N HMBC' 1 $sample_1 solution 18956 1 3 '1H-13C HSQC' 1 $sample_1 solution 18956 1 4 HNCO 1 $sample_1 solution 18956 1 5 HN(CA)CO 1 $sample_1 solution 18956 1 6 HNCA 1 $sample_1 solution 18956 1 7 HNCACB 1 $sample_1 solution 18956 1 8 CBCA(CO)HN 1 $sample_1 solution 18956 1 9 H(C)CH-TOCSY 1 $sample_1 solution 18956 1 10 (H)CCH-TOCSY 1 $sample_1 solution 18956 1 11 '(HB)CB(CGCD)HD Aro' 1 $sample_1 solution 18956 1 12 '(HB)CB(CGCDCE)HE Aro' 1 $sample_1 solution 18956 1 13 '15N HSQC-NOESY' 1 $sample_1 solution 18956 1 14 'NOESY and TOCSY' 1 $sample_1 solution 18956 1 18 'NOESY AND TOCSY' 1 $sample_1 solution 18956 1 19 NOESY 2 $sample_2 solution 18956 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 GLY CA C 13 43.271 . . 1 . 1 . . 1 GLY CA . 18956 1 2 . 1 1 2 2 SER HA H 1 4.451 0.005 . 1 . 4 . . 2 SER HA . 18956 1 3 . 1 1 2 2 SER HB2 H 1 3.842 0.006 . 1 . 5 . . 2 SER HB2 . 18956 1 4 . 1 1 2 2 SER HB3 H 1 3.842 0.006 . 1 . 6 . . 2 SER HB3 . 18956 1 5 . 1 1 2 2 SER CA C 13 58.068 0.016 . 1 . 2 . . 2 SER CA . 18956 1 6 . 1 1 2 2 SER CB C 13 63.688 0.003 . 1 . 3 . . 2 SER CB . 18956 1 7 . 1 1 3 3 VAL H H 1 8.327 0.005 . 1 . 12 . . 3 VAL H . 18956 1 8 . 1 1 3 3 VAL HA H 1 4.173 0.004 . 1 . 13 . . 3 VAL HA . 18956 1 9 . 1 1 3 3 VAL HB H 1 2.087 0.005 . 1 . 14 . . 3 VAL HB . 18956 1 10 . 1 1 3 3 VAL HG11 H 1 0.942 0.002 . 2 . 15 . . 3 VAL HG11 . 18956 1 11 . 1 1 3 3 VAL HG12 H 1 0.942 0.002 . 2 . 15 . . 3 VAL HG12 . 18956 1 12 . 1 1 3 3 VAL HG13 H 1 0.942 0.002 . 2 . 15 . . 3 VAL HG13 . 18956 1 13 . 1 1 3 3 VAL HG21 H 1 0.956 0.006 . 2 . 16 . . 3 VAL HG21 . 18956 1 14 . 1 1 3 3 VAL HG22 H 1 0.956 0.006 . 2 . 16 . . 3 VAL HG22 . 18956 1 15 . 1 1 3 3 VAL HG23 H 1 0.956 0.006 . 2 . 16 . . 3 VAL HG23 . 18956 1 16 . 1 1 3 3 VAL C C 13 176.109 0.006 . 1 . 7 . . 3 VAL C . 18956 1 17 . 1 1 3 3 VAL CA C 13 62.335 0.016 . 1 . 8 . . 3 VAL CA . 18956 1 18 . 1 1 3 3 VAL CB C 13 32.749 0.045 . 1 . 9 . . 3 VAL CB . 18956 1 19 . 1 1 3 3 VAL CG1 C 13 21.121 0.01 . 2 . 10 . . 3 VAL CG1 . 18956 1 20 . 1 1 3 3 VAL CG2 C 13 20.480 0.006 . 2 . 11 . . 3 VAL CG2 . 18956 1 21 . 1 1 3 3 VAL N N 15 121.906 0.066 . 1 . 17 . . 3 VAL N . 18956 1 22 . 1 1 4 4 GLN H H 1 8.588 0.01 . 1 . 22 . . 4 GLN H . 18956 1 23 . 1 1 4 4 GLN HA H 1 4.471 0.004 . 1 . 23 . . 4 GLN HA . 18956 1 24 . 1 1 4 4 GLN HB2 H 1 2.016 0.006 . 2 . 24 . . 4 GLN HB2 . 18956 1 25 . 1 1 4 4 GLN HB3 H 1 2.151 0.006 . 2 . 25 . . 4 GLN HB3 . 18956 1 26 . 1 1 4 4 GLN HG2 H 1 2.395 0.006 . 1 . 26 . . 4 GLN HG2 . 18956 1 27 . 1 1 4 4 GLN HG3 H 1 2.395 0.006 . 1 . 27 . . 4 GLN HG3 . 18956 1 28 . 1 1 4 4 GLN C C 13 175.993 0.016 . 1 . 18 . . 4 GLN C . 18956 1 29 . 1 1 4 4 GLN CA C 13 55.676 0.023 . 1 . 19 . . 4 GLN CA . 18956 1 30 . 1 1 4 4 GLN CB C 13 29.425 0.038 . 1 . 20 . . 4 GLN CB . 18956 1 31 . 1 1 4 4 GLN CG C 13 33.749 0.034 . 1 . 21 . . 4 GLN CG . 18956 1 32 . 1 1 4 4 GLN N N 15 124.768 0.05 . 1 . 28 . . 4 GLN N . 18956 1 33 . 1 1 5 5 THR H H 1 8.266 0.004 . 1 . 33 . . 5 THR H . 18956 1 34 . 1 1 5 5 THR HA H 1 4.383 0.005 . 1 . 34 . . 5 THR HA . 18956 1 35 . 1 1 5 5 THR HB H 1 4.267 0.007 . 1 . 35 . . 5 THR HB . 18956 1 36 . 1 1 5 5 THR HG21 H 1 1.240 0.006 . 1 . 36 . . 5 THR HG21 . 18956 1 37 . 1 1 5 5 THR HG22 H 1 1.240 0.006 . 1 . 36 . . 5 THR HG22 . 18956 1 38 . 1 1 5 5 THR HG23 H 1 1.240 0.006 . 1 . 36 . . 5 THR HG23 . 18956 1 39 . 1 1 5 5 THR C C 13 174.936 0.004 . 1 . 29 . . 5 THR C . 18956 1 40 . 1 1 5 5 THR CA C 13 61.740 0.037 . 1 . 30 . . 5 THR CA . 18956 1 41 . 1 1 5 5 THR CB C 13 69.895 0.04 . 1 . 31 . . 5 THR CB . 18956 1 42 . 1 1 5 5 THR CG2 C 13 21.436 0.017 . 1 . 32 . . 5 THR CG2 . 18956 1 43 . 1 1 5 5 THR N N 15 115.449 0.035 . 1 . 37 . . 5 THR N . 18956 1 44 . 1 1 6 6 GLY H H 1 8.387 0.004 . 1 . 40 . . 6 GLY H . 18956 1 45 . 1 1 6 6 GLY HA2 H 1 3.904 0.008 . 2 . 41 . . 6 GLY HA2 . 18956 1 46 . 1 1 6 6 GLY HA3 H 1 3.985 0.005 . 2 . 42 . . 6 GLY HA3 . 18956 1 47 . 1 1 6 6 GLY C C 13 173.541 . . 1 . 38 . . 6 GLY C . 18956 1 48 . 1 1 6 6 GLY CA C 13 45.124 0.046 . 1 . 39 . . 6 GLY CA . 18956 1 49 . 1 1 6 6 GLY N N 15 110.955 0.029 . 1 . 43 . . 6 GLY N . 18956 1 50 . 1 1 7 7 ILE H H 1 7.754 0.003 . 1 . 50 . . 7 ILE H . 18956 1 51 . 1 1 7 7 ILE HA H 1 3.941 0.006 . 1 . 51 . . 7 ILE HA . 18956 1 52 . 1 1 7 7 ILE HB H 1 1.026 0.003 . 1 . 52 . . 7 ILE HB . 18956 1 53 . 1 1 7 7 ILE HG12 H 1 0.387 0.003 . 2 . 54 . . 7 ILE HG12 . 18956 1 54 . 1 1 7 7 ILE HG13 H 1 1.139 0.004 . 2 . 55 . . 7 ILE HG13 . 18956 1 55 . 1 1 7 7 ILE HG21 H 1 0.035 0.002 . 1 . 56 . . 7 ILE HG21 . 18956 1 56 . 1 1 7 7 ILE HG22 H 1 0.035 0.002 . 1 . 56 . . 7 ILE HG22 . 18956 1 57 . 1 1 7 7 ILE HG23 H 1 0.035 0.002 . 1 . 56 . . 7 ILE HG23 . 18956 1 58 . 1 1 7 7 ILE HD11 H 1 -0.640 0.001 . 1 . 53 . . 7 ILE HD11 . 18956 1 59 . 1 1 7 7 ILE HD12 H 1 -0.640 0.001 . 1 . 53 . . 7 ILE HD12 . 18956 1 60 . 1 1 7 7 ILE HD13 H 1 -0.640 0.001 . 1 . 53 . . 7 ILE HD13 . 18956 1 61 . 1 1 7 7 ILE C C 13 174.520 0.004 . 1 . 44 . . 7 ILE C . 18956 1 62 . 1 1 7 7 ILE CA C 13 61.995 0.024 . 1 . 45 . . 7 ILE CA . 18956 1 63 . 1 1 7 7 ILE CB C 13 39.537 0.054 . 1 . 46 . . 7 ILE CB . 18956 1 64 . 1 1 7 7 ILE CG1 C 13 27.931 0.042 . 1 . 48 . . 7 ILE CG1 . 18956 1 65 . 1 1 7 7 ILE CG2 C 13 16.188 0.011 . 1 . 49 . . 7 ILE CG2 . 18956 1 66 . 1 1 7 7 ILE CD1 C 13 11.915 0.015 . 1 . 47 . . 7 ILE CD1 . 18956 1 67 . 1 1 7 7 ILE N N 15 121.834 0.036 . 1 . 57 . . 7 ILE N . 18956 1 68 . 1 1 8 8 VAL H H 1 8.094 0.004 . 1 . 63 . . 8 VAL H . 18956 1 69 . 1 1 8 8 VAL HA H 1 4.003 0.005 . 1 . 64 . . 8 VAL HA . 18956 1 70 . 1 1 8 8 VAL HB H 1 1.924 0.003 . 1 . 65 . . 8 VAL HB . 18956 1 71 . 1 1 8 8 VAL HG11 H 1 0.545 0.005 . 2 . 66 . . 8 VAL HG11 . 18956 1 72 . 1 1 8 8 VAL HG12 H 1 0.545 0.005 . 2 . 66 . . 8 VAL HG12 . 18956 1 73 . 1 1 8 8 VAL HG13 H 1 0.545 0.005 . 2 . 66 . . 8 VAL HG13 . 18956 1 74 . 1 1 8 8 VAL HG21 H 1 0.879 0.004 . 2 . 67 . . 8 VAL HG21 . 18956 1 75 . 1 1 8 8 VAL HG22 H 1 0.879 0.004 . 2 . 67 . . 8 VAL HG22 . 18956 1 76 . 1 1 8 8 VAL HG23 H 1 0.879 0.004 . 2 . 67 . . 8 VAL HG23 . 18956 1 77 . 1 1 8 8 VAL C C 13 176.003 . . 1 . 58 . . 8 VAL C . 18956 1 78 . 1 1 8 8 VAL CA C 13 60.706 0.024 . 1 . 59 . . 8 VAL CA . 18956 1 79 . 1 1 8 8 VAL CB C 13 34.054 0.056 . 1 . 60 . . 8 VAL CB . 18956 1 80 . 1 1 8 8 VAL CG1 C 13 21.371 0.072 . 2 . 61 . . 8 VAL CG1 . 18956 1 81 . 1 1 8 8 VAL CG2 C 13 20.668 0.034 . 2 . 62 . . 8 VAL CG2 . 18956 1 82 . 1 1 8 8 VAL N N 15 127.944 0.048 . 1 . 68 . . 8 VAL N . 18956 1 83 . 1 1 9 9 LEU H H 1 8.673 0.006 . 1 . 75 . . 9 LEU H . 18956 1 84 . 1 1 9 9 LEU HA H 1 3.980 0.004 . 1 . 76 . . 9 LEU HA . 18956 1 85 . 1 1 9 9 LEU HB2 H 1 1.245 0.003 . 2 . 77 . . 9 LEU HB2 . 18956 1 86 . 1 1 9 9 LEU HB3 H 1 1.598 0.006 . 2 . 78 . . 9 LEU HB3 . 18956 1 87 . 1 1 9 9 LEU HG H 1 1.563 0.004 . 1 . 81 . . 9 LEU HG . 18956 1 88 . 1 1 9 9 LEU HD11 H 1 0.582 0.002 . 2 . 79 . . 9 LEU HD11 . 18956 1 89 . 1 1 9 9 LEU HD12 H 1 0.582 0.002 . 2 . 79 . . 9 LEU HD12 . 18956 1 90 . 1 1 9 9 LEU HD13 H 1 0.582 0.002 . 2 . 79 . . 9 LEU HD13 . 18956 1 91 . 1 1 9 9 LEU HD21 H 1 0.835 0.005 . 2 . 80 . . 9 LEU HD21 . 18956 1 92 . 1 1 9 9 LEU HD22 H 1 0.835 0.005 . 2 . 80 . . 9 LEU HD22 . 18956 1 93 . 1 1 9 9 LEU HD23 H 1 0.835 0.005 . 2 . 80 . . 9 LEU HD23 . 18956 1 94 . 1 1 9 9 LEU C C 13 176.429 . . 1 . 69 . . 9 LEU C . 18956 1 95 . 1 1 9 9 LEU CA C 13 55.237 0.013 . 1 . 70 . . 9 LEU CA . 18956 1 96 . 1 1 9 9 LEU CB C 13 41.217 0.045 . 1 . 71 . . 9 LEU CB . 18956 1 97 . 1 1 9 9 LEU CG C 13 27.342 0.05 . 1 . 74 . . 9 LEU CG . 18956 1 98 . 1 1 9 9 LEU CD1 C 13 23.097 0.009 . 2 . 72 . . 9 LEU CD1 . 18956 1 99 . 1 1 9 9 LEU CD2 C 13 24.692 0.019 . 2 . 73 . . 9 LEU CD2 . 18956 1 100 . 1 1 9 9 LEU N N 15 126.607 0.035 . 1 . 82 . . 9 LEU N . 18956 1 101 . 1 1 10 10 CYS H H 1 8.313 0.004 . 1 . 86 . . 10 CYS H . 18956 1 102 . 1 1 10 10 CYS HA H 1 3.916 0.005 . 1 . 87 . . 10 CYS HA . 18956 1 103 . 1 1 10 10 CYS HB2 H 1 2.094 0.213 . 2 . 88 . . 10 CYS HB2 . 18956 1 104 . 1 1 10 10 CYS HB3 H 1 2.473 0.187 . 2 . 89 . . 10 CYS HB3 . 18956 1 105 . 1 1 10 10 CYS C C 13 178.069 . . 1 . 83 . . 10 CYS C . 18956 1 106 . 1 1 10 10 CYS CA C 13 60.595 0.042 . 1 . 84 . . 10 CYS CA . 18956 1 107 . 1 1 10 10 CYS CB C 13 30.456 0.036 . 1 . 85 . . 10 CYS CB . 18956 1 108 . 1 1 10 10 CYS N N 15 124.651 0.052 . 1 . 90 . . 10 CYS N . 18956 1 109 . 1 1 11 11 LYS H H 1 9.004 0.005 . 1 . 97 . . 11 LYS H . 18956 1 110 . 1 1 11 11 LYS HA H 1 3.980 0.006 . 1 . 98 . . 11 LYS HA . 18956 1 111 . 1 1 11 11 LYS HB2 H 1 1.416 0.005 . 2 . 99 . . 11 LYS HB2 . 18956 1 112 . 1 1 11 11 LYS HB3 H 1 1.531 0.006 . 2 . 100 . . 11 LYS HB3 . 18956 1 113 . 1 1 11 11 LYS HG2 H 1 0.742 0.005 . 2 . 105 . . 11 LYS HG2 . 18956 1 114 . 1 1 11 11 LYS HG3 H 1 1.053 0.005 . 2 . 106 . . 11 LYS HG3 . 18956 1 115 . 1 1 11 11 LYS HD2 H 1 1.418 0.004 . 1 . 101 . . 11 LYS HD2 . 18956 1 116 . 1 1 11 11 LYS HD3 H 1 1.418 0.004 . 1 . 102 . . 11 LYS HD3 . 18956 1 117 . 1 1 11 11 LYS HE2 H 1 2.765 0.007 . 1 . 103 . . 11 LYS HE2 . 18956 1 118 . 1 1 11 11 LYS HE3 H 1 2.765 0.007 . 1 . 104 . . 11 LYS HE3 . 18956 1 119 . 1 1 11 11 LYS C C 13 176.695 0.013 . 1 . 91 . . 11 LYS C . 18956 1 120 . 1 1 11 11 LYS CA C 13 58.632 0.03 . 1 . 92 . . 11 LYS CA . 18956 1 121 . 1 1 11 11 LYS CB C 13 31.679 0.051 . 1 . 93 . . 11 LYS CB . 18956 1 122 . 1 1 11 11 LYS CG C 13 23.778 0.027 . 1 . 96 . . 11 LYS CG . 18956 1 123 . 1 1 11 11 LYS CD C 13 28.853 0.04 . 1 . 94 . . 11 LYS CD . 18956 1 124 . 1 1 11 11 LYS CE C 13 41.696 0.027 . 1 . 95 . . 11 LYS CE . 18956 1 125 . 1 1 11 11 LYS N N 15 132.045 0.036 . 1 . 107 . . 11 LYS N . 18956 1 126 . 1 1 12 12 PHE H H 1 8.454 0.003 . 1 . 112 . . 12 PHE H . 18956 1 127 . 1 1 12 12 PHE HA H 1 4.657 0.006 . 1 . 113 . . 12 PHE HA . 18956 1 128 . 1 1 12 12 PHE HB2 H 1 2.986 0.004 . 2 . 114 . . 12 PHE HB2 . 18956 1 129 . 1 1 12 12 PHE HB3 H 1 3.139 0.006 . 2 . 115 . . 12 PHE HB3 . 18956 1 130 . 1 1 12 12 PHE HD1 H 1 7.446 0.004 . 3 . 116 . . 12 PHE HD1 . 18956 1 131 . 1 1 12 12 PHE HD2 H 1 7.446 0.004 . 3 . 117 . . 12 PHE HD2 . 18956 1 132 . 1 1 12 12 PHE HE1 H 1 7.483 0.005 . 3 . 118 . . 12 PHE HE1 . 18956 1 133 . 1 1 12 12 PHE HE2 H 1 7.483 0.005 . 3 . 119 . . 12 PHE HE2 . 18956 1 134 . 1 1 12 12 PHE HZ H 1 7.396 0.005 . 1 . 120 . . 12 PHE HZ . 18956 1 135 . 1 1 12 12 PHE C C 13 177.305 0.003 . 1 . 108 . . 12 PHE C . 18956 1 136 . 1 1 12 12 PHE CA C 13 58.257 0.034 . 1 . 109 . . 12 PHE CA . 18956 1 137 . 1 1 12 12 PHE CB C 13 39.402 0.037 . 1 . 110 . . 12 PHE CB . 18956 1 138 . 1 1 12 12 PHE CZ C 13 130.256 . . 1 . 111 . . 12 PHE CZ . 18956 1 139 . 1 1 12 12 PHE N N 15 117.491 0.047 . 1 . 121 . . 12 PHE N . 18956 1 140 . 1 1 13 13 GLY H H 1 7.550 0.004 . 1 . 124 . . 13 GLY H . 18956 1 141 . 1 1 13 13 GLY HA2 H 1 4.006 0.003 . 2 . 125 . . 13 GLY HA2 . 18956 1 142 . 1 1 13 13 GLY HA3 H 1 4.149 0.006 . 2 . 126 . . 13 GLY HA3 . 18956 1 143 . 1 1 13 13 GLY C C 13 175.154 0.001 . 1 . 122 . . 13 GLY C . 18956 1 144 . 1 1 13 13 GLY CA C 13 47.261 0.055 . 1 . 123 . . 13 GLY CA . 18956 1 145 . 1 1 13 13 GLY N N 15 108.143 0.031 . 1 . 127 . . 13 GLY N . 18956 1 146 . 1 1 14 14 ALA H H 1 9.622 0.003 . 1 . 131 . . 14 ALA H . 18956 1 147 . 1 1 14 14 ALA HA H 1 4.437 0.006 . 1 . 132 . . 14 ALA HA . 18956 1 148 . 1 1 14 14 ALA HB1 H 1 1.619 0.004 . 1 . 133 . . 14 ALA HB1 . 18956 1 149 . 1 1 14 14 ALA HB2 H 1 1.619 0.004 . 1 . 133 . . 14 ALA HB2 . 18956 1 150 . 1 1 14 14 ALA HB3 H 1 1.619 0.004 . 1 . 133 . . 14 ALA HB3 . 18956 1 151 . 1 1 14 14 ALA C C 13 177.654 0.007 . 1 . 128 . . 14 ALA C . 18956 1 152 . 1 1 14 14 ALA CA C 13 54.012 0.025 . 1 . 129 . . 14 ALA CA . 18956 1 153 . 1 1 14 14 ALA CB C 13 19.120 0.035 . 1 . 130 . . 14 ALA CB . 18956 1 154 . 1 1 14 14 ALA N N 15 129.182 0.031 . 1 . 134 . . 14 ALA N . 18956 1 155 . 1 1 15 15 LEU H H 1 8.135 0.005 . 1 . 141 . . 15 LEU H . 18956 1 156 . 1 1 15 15 LEU HA H 1 4.437 0.005 . 1 . 142 . . 15 LEU HA . 18956 1 157 . 1 1 15 15 LEU HB2 H 1 1.835 0.005 . 2 . 143 . . 15 LEU HB2 . 18956 1 158 . 1 1 15 15 LEU HB3 H 1 1.979 0.003 . 2 . 144 . . 15 LEU HB3 . 18956 1 159 . 1 1 15 15 LEU HG H 1 1.758 0.004 . 1 . 147 . . 15 LEU HG . 18956 1 160 . 1 1 15 15 LEU HD11 H 1 0.888 0.004 . 2 . 145 . . 15 LEU HD11 . 18956 1 161 . 1 1 15 15 LEU HD12 H 1 0.888 0.004 . 2 . 145 . . 15 LEU HD12 . 18956 1 162 . 1 1 15 15 LEU HD13 H 1 0.888 0.004 . 2 . 145 . . 15 LEU HD13 . 18956 1 163 . 1 1 15 15 LEU HD21 H 1 1.025 0.004 . 2 . 146 . . 15 LEU HD21 . 18956 1 164 . 1 1 15 15 LEU HD22 H 1 1.025 0.004 . 2 . 146 . . 15 LEU HD22 . 18956 1 165 . 1 1 15 15 LEU HD23 H 1 1.025 0.004 . 2 . 146 . . 15 LEU HD23 . 18956 1 166 . 1 1 15 15 LEU C C 13 176.267 0.001 . 1 . 135 . . 15 LEU C . 18956 1 167 . 1 1 15 15 LEU CA C 13 54.034 0.008 . 1 . 136 . . 15 LEU CA . 18956 1 168 . 1 1 15 15 LEU CB C 13 41.027 0.038 . 1 . 137 . . 15 LEU CB . 18956 1 169 . 1 1 15 15 LEU CG C 13 27.387 0.077 . 1 . 140 . . 15 LEU CG . 18956 1 170 . 1 1 15 15 LEU CD1 C 13 22.834 0.036 . 2 . 138 . . 15 LEU CD1 . 18956 1 171 . 1 1 15 15 LEU CD2 C 13 25.166 0.054 . 2 . 139 . . 15 LEU CD2 . 18956 1 172 . 1 1 15 15 LEU N N 15 116.912 0.034 . 1 . 148 . . 15 LEU N . 18956 1 173 . 1 1 16 16 CYS H H 1 7.191 0.003 . 1 . 152 . . 16 CYS H . 18956 1 174 . 1 1 16 16 CYS HA H 1 3.780 0.003 . 1 . 153 . . 16 CYS HA . 18956 1 175 . 1 1 16 16 CYS HB2 H 1 3.127 0.004 . 2 . 154 . . 16 CYS HB2 . 18956 1 176 . 1 1 16 16 CYS HB3 H 1 3.776 0.002 . 2 . 155 . . 16 CYS HB3 . 18956 1 177 . 1 1 16 16 CYS C C 13 175.951 0.002 . 1 . 149 . . 16 CYS C . 18956 1 178 . 1 1 16 16 CYS CA C 13 61.726 0.032 . 1 . 150 . . 16 CYS CA . 18956 1 179 . 1 1 16 16 CYS CB C 13 30.045 0.021 . 1 . 151 . . 16 CYS CB . 18956 1 180 . 1 1 16 16 CYS N N 15 122.715 0.033 . 1 . 156 . . 16 CYS N . 18956 1 181 . 1 1 17 17 SER H H 1 8.414 0.004 . 1 . 160 . . 17 SER H . 18956 1 182 . 1 1 17 17 SER HA H 1 4.583 0.007 . 1 . 161 . . 17 SER HA . 18956 1 183 . 1 1 17 17 SER HB2 H 1 3.671 0.007 . 2 . 162 . . 17 SER HB2 . 18956 1 184 . 1 1 17 17 SER HB3 H 1 4.105 0.007 . 2 . 163 . . 17 SER HB3 . 18956 1 185 . 1 1 17 17 SER C C 13 173.067 0.001 . 1 . 157 . . 17 SER C . 18956 1 186 . 1 1 17 17 SER CA C 13 57.563 0.051 . 1 . 158 . . 17 SER CA . 18956 1 187 . 1 1 17 17 SER CB C 13 64.284 0.061 . 1 . 159 . . 17 SER CB . 18956 1 188 . 1 1 17 17 SER N N 15 123.107 0.035 . 1 . 164 . . 17 SER N . 18956 1 189 . 1 1 18 18 ASN H H 1 7.965 0.004 . 1 . 168 . . 18 ASN H . 18956 1 190 . 1 1 18 18 ASN HA H 1 5.226 0.006 . 1 . 169 . . 18 ASN HA . 18956 1 191 . 1 1 18 18 ASN HB2 H 1 2.903 0.036 . 2 . 170 . . 18 ASN HB2 . 18956 1 192 . 1 1 18 18 ASN HB3 H 1 3.012 0.048 . 2 . 171 . . 18 ASN HB3 . 18956 1 193 . 1 1 18 18 ASN HD21 H 1 7.785 0.027 . 1 . 172 . . 18 ASN HD21 . 18956 1 194 . 1 1 18 18 ASN HD22 H 1 7.058 0.05 . 1 . 173 . . 18 ASN HD22 . 18956 1 195 . 1 1 18 18 ASN C C 13 173.987 . . 1 . 165 . . 18 ASN C . 18956 1 196 . 1 1 18 18 ASN CA C 13 49.266 0.062 . 1 . 166 . . 18 ASN CA . 18956 1 197 . 1 1 18 18 ASN CB C 13 40.046 0.049 . 1 . 167 . . 18 ASN CB . 18956 1 198 . 1 1 18 18 ASN N N 15 122.526 0.047 . 1 . 174 . . 18 ASN N . 18956 1 199 . 1 1 18 18 ASN ND2 N 15 111.034 0.001 . 1 . 175 . . 18 ASN ND2 . 18956 1 200 . 1 1 19 19 PRO HA H 1 4.076 0.005 . 1 . 181 . . 19 PRO HA . 18956 1 201 . 1 1 19 19 PRO HB2 H 1 1.972 0.008 . 2 . 182 . . 19 PRO HB2 . 18956 1 202 . 1 1 19 19 PRO HB3 H 1 2.075 0.006 . 2 . 183 . . 19 PRO HB3 . 18956 1 203 . 1 1 19 19 PRO HG2 H 1 1.867 0.007 . 2 . 186 . . 19 PRO HG2 . 18956 1 204 . 1 1 19 19 PRO HG3 H 1 2.006 0.006 . 2 . 187 . . 19 PRO HG3 . 18956 1 205 . 1 1 19 19 PRO HD2 H 1 3.957 0.005 . 2 . 184 . . 19 PRO HD2 . 18956 1 206 . 1 1 19 19 PRO HD3 H 1 4.099 0.006 . 2 . 185 . . 19 PRO HD3 . 18956 1 207 . 1 1 19 19 PRO C C 13 178.221 . . 1 . 176 . . 19 PRO C . 18956 1 208 . 1 1 19 19 PRO CA C 13 65.176 0.037 . 1 . 177 . . 19 PRO CA . 18956 1 209 . 1 1 19 19 PRO CB C 13 32.507 0.047 . 1 . 178 . . 19 PRO CB . 18956 1 210 . 1 1 19 19 PRO CG C 13 27.113 0.037 . 1 . 180 . . 19 PRO CG . 18956 1 211 . 1 1 19 19 PRO CD C 13 51.031 0.024 . 1 . 179 . . 19 PRO CD . 18956 1 212 . 1 1 20 20 SER H H 1 7.504 0.004 . 1 . 191 . . 20 SER H . 18956 1 213 . 1 1 20 20 SER HA H 1 4.505 0.007 . 1 . 192 . . 20 SER HA . 18956 1 214 . 1 1 20 20 SER HB2 H 1 3.865 0.009 . 2 . 193 . . 20 SER HB2 . 18956 1 215 . 1 1 20 20 SER HB3 H 1 3.916 0.006 . 2 . 194 . . 20 SER HB3 . 18956 1 216 . 1 1 20 20 SER C C 13 173.354 . . 1 . 188 . . 20 SER C . 18956 1 217 . 1 1 20 20 SER CA C 13 57.044 0.046 . 1 . 189 . . 20 SER CA . 18956 1 218 . 1 1 20 20 SER CB C 13 62.939 0.073 . 1 . 190 . . 20 SER CB . 18956 1 219 . 1 1 20 20 SER N N 15 111.406 0.041 . 1 . 195 . . 20 SER N . 18956 1 220 . 1 1 21 21 CYS H H 1 7.748 0.005 . 1 . 199 . . 21 CYS H . 18956 1 221 . 1 1 21 21 CYS HA H 1 4.181 0.004 . 1 . 200 . . 21 CYS HA . 18956 1 222 . 1 1 21 21 CYS HB2 H 1 2.999 0.004 . 2 . 201 . . 21 CYS HB2 . 18956 1 223 . 1 1 21 21 CYS HB3 H 1 3.443 0.004 . 2 . 202 . . 21 CYS HB3 . 18956 1 224 . 1 1 21 21 CYS C C 13 176.747 . . 1 . 196 . . 21 CYS C . 18956 1 225 . 1 1 21 21 CYS CA C 13 58.150 0.051 . 1 . 197 . . 21 CYS CA . 18956 1 226 . 1 1 21 21 CYS CB C 13 32.118 0.04 . 1 . 198 . . 21 CYS CB . 18956 1 227 . 1 1 21 21 CYS N N 15 126.372 0.034 . 1 . 203 . . 21 CYS N . 18956 1 228 . 1 1 22 22 PRO HA H 1 4.808 0.004 . 1 . 209 . . 22 PRO HA . 18956 1 229 . 1 1 22 22 PRO HB2 H 1 1.978 0.01 . 2 . 210 . . 22 PRO HB2 . 18956 1 230 . 1 1 22 22 PRO HB3 H 1 2.026 0.006 . 2 . 211 . . 22 PRO HB3 . 18956 1 231 . 1 1 22 22 PRO HG2 H 1 0.617 0.005 . 2 . 214 . . 22 PRO HG2 . 18956 1 232 . 1 1 22 22 PRO HG3 H 1 1.699 0.007 . 2 . 215 . . 22 PRO HG3 . 18956 1 233 . 1 1 22 22 PRO HD2 H 1 3.485 0.003 . 2 . 212 . . 22 PRO HD2 . 18956 1 234 . 1 1 22 22 PRO HD3 H 1 3.679 0.005 . 2 . 213 . . 22 PRO HD3 . 18956 1 235 . 1 1 22 22 PRO C C 13 176.293 . . 1 . 204 . . 22 PRO C . 18956 1 236 . 1 1 22 22 PRO CA C 13 63.922 0.051 . 1 . 205 . . 22 PRO CA . 18956 1 237 . 1 1 22 22 PRO CB C 13 32.125 0.032 . 1 . 206 . . 22 PRO CB . 18956 1 238 . 1 1 22 22 PRO CG C 13 25.054 0.052 . 1 . 208 . . 22 PRO CG . 18956 1 239 . 1 1 22 22 PRO CD C 13 51.350 0.031 . 1 . 207 . . 22 PRO CD . 18956 1 240 . 1 1 23 23 PHE H H 1 8.313 0.009 . 1 . 220 . . 23 PHE H . 18956 1 241 . 1 1 23 23 PHE HA H 1 5.282 0.002 . 1 . 221 . . 23 PHE HA . 18956 1 242 . 1 1 23 23 PHE HB2 H 1 2.767 0.003 . 2 . 222 . . 23 PHE HB2 . 18956 1 243 . 1 1 23 23 PHE HB3 H 1 3.435 0.004 . 2 . 223 . . 23 PHE HB3 . 18956 1 244 . 1 1 23 23 PHE HD1 H 1 7.489 0.004 . 3 . 224 . . 23 PHE HD1 . 18956 1 245 . 1 1 23 23 PHE HD2 H 1 7.489 0.004 . 3 . 225 . . 23 PHE HD2 . 18956 1 246 . 1 1 23 23 PHE HE1 H 1 7.440 0.006 . 3 . 226 . . 23 PHE HE1 . 18956 1 247 . 1 1 23 23 PHE HE2 H 1 7.440 0.006 . 3 . 227 . . 23 PHE HE2 . 18956 1 248 . 1 1 23 23 PHE HZ H 1 7.368 0.006 . 1 . 228 . . 23 PHE HZ . 18956 1 249 . 1 1 23 23 PHE C C 13 175.181 0.011 . 1 . 216 . . 23 PHE C . 18956 1 250 . 1 1 23 23 PHE CA C 13 56.319 0.043 . 1 . 217 . . 23 PHE CA . 18956 1 251 . 1 1 23 23 PHE CB C 13 39.454 0.056 . 1 . 218 . . 23 PHE CB . 18956 1 252 . 1 1 23 23 PHE CZ C 13 130.223 . . 1 . 219 . . 23 PHE CZ . 18956 1 253 . 1 1 23 23 PHE N N 15 122.651 0.071 . 1 . 229 . . 23 PHE N . 18956 1 254 . 1 1 24 24 GLY H H 1 9.574 0.003 . 1 . 232 . . 24 GLY H . 18956 1 255 . 1 1 24 24 GLY HA2 H 1 2.919 0.003 . 2 . 233 . . 24 GLY HA2 . 18956 1 256 . 1 1 24 24 GLY HA3 H 1 4.546 0.003 . 2 . 234 . . 24 GLY HA3 . 18956 1 257 . 1 1 24 24 GLY C C 13 173.702 0.003 . 1 . 230 . . 24 GLY C . 18956 1 258 . 1 1 24 24 GLY CA C 13 46.556 0.011 . 1 . 231 . . 24 GLY CA . 18956 1 259 . 1 1 24 24 GLY N N 15 103.653 0.049 . 1 . 235 . . 24 GLY N . 18956 1 260 . 1 1 25 25 HIS H H 1 9.571 0.003 . 1 . 241 . . 25 HIS H . 18956 1 261 . 1 1 25 25 HIS HA H 1 5.056 0.004 . 1 . 242 . . 25 HIS HA . 18956 1 262 . 1 1 25 25 HIS HB2 H 1 3.029 0.111 . 2 . 243 . . 25 HIS HB2 . 18956 1 263 . 1 1 25 25 HIS HB3 H 1 3.324 0.111 . 2 . 244 . . 25 HIS HB3 . 18956 1 264 . 1 1 25 25 HIS HD1 H 1 11.848 0.001 . 1 . 245 . . 25 HIS HD1 . 18956 1 265 . 1 1 25 25 HIS HD2 H 1 7.583 0.004 . 1 . 246 . . 25 HIS HD2 . 18956 1 266 . 1 1 25 25 HIS HE1 H 1 8.000 0.003 . 1 . 247 . . 25 HIS HE1 . 18956 1 267 . 1 1 25 25 HIS C C 13 172.265 . . 1 . 236 . . 25 HIS C . 18956 1 268 . 1 1 25 25 HIS CA C 13 55.596 0.015 . 1 . 237 . . 25 HIS CA . 18956 1 269 . 1 1 25 25 HIS CB C 13 28.447 0.015 . 1 . 238 . . 25 HIS CB . 18956 1 270 . 1 1 25 25 HIS CD2 C 13 127.009 . . 1 . 239 . . 25 HIS CD2 . 18956 1 271 . 1 1 25 25 HIS CE1 C 13 139.958 0.005 . 1 . 240 . . 25 HIS CE1 . 18956 1 272 . 1 1 25 25 HIS N N 15 123.720 0.037 . 1 . 248 . . 25 HIS N . 18956 1 273 . 1 1 25 25 HIS ND1 N 15 172.204 0.037 . 1 . 249 . . 25 HIS ND1 . 18956 1 274 . 1 1 25 25 HIS NE2 N 15 221.214 . . 1 . 250 . . 25 HIS NE2 . 18956 1 275 . 1 1 26 26 PRO HA H 1 4.652 0.007 . 1 . 256 . . 26 PRO HA . 18956 1 276 . 1 1 26 26 PRO HB2 H 1 2.106 0.004 . 2 . 257 . . 26 PRO HB2 . 18956 1 277 . 1 1 26 26 PRO HB3 H 1 2.371 0.003 . 2 . 258 . . 26 PRO HB3 . 18956 1 278 . 1 1 26 26 PRO HG2 H 1 2.183 0.005 . 1 . 261 . . 26 PRO HG2 . 18956 1 279 . 1 1 26 26 PRO HG3 H 1 2.183 0.005 . 1 . 262 . . 26 PRO HG3 . 18956 1 280 . 1 1 26 26 PRO HD2 H 1 3.933 0.124 . 2 . 259 . . 26 PRO HD2 . 18956 1 281 . 1 1 26 26 PRO HD3 H 1 3.626 0.086 . 2 . 260 . . 26 PRO HD3 . 18956 1 282 . 1 1 26 26 PRO C C 13 173.454 . . 1 . 251 . . 26 PRO C . 18956 1 283 . 1 1 26 26 PRO CA C 13 62.044 0.047 . 1 . 252 . . 26 PRO CA . 18956 1 284 . 1 1 26 26 PRO CB C 13 33.180 0.058 . 1 . 253 . . 26 PRO CB . 18956 1 285 . 1 1 26 26 PRO CG C 13 27.684 0.046 . 1 . 255 . . 26 PRO CG . 18956 1 286 . 1 1 26 26 PRO CD C 13 50.707 0.033 . 1 . 254 . . 26 PRO CD . 18956 1 287 . 1 1 27 27 THR H H 1 7.821 0.004 . 1 . 267 . . 27 THR H . 18956 1 288 . 1 1 27 27 THR HA H 1 2.475 0.001 . 1 . 268 . . 27 THR HA . 18956 1 289 . 1 1 27 27 THR HB H 1 4.212 0.004 . 1 . 269 . . 27 THR HB . 18956 1 290 . 1 1 27 27 THR HG1 H 1 5.613 0.002 . 1 . 270 . . 27 THR HG1 . 18956 1 291 . 1 1 27 27 THR HG21 H 1 1.344 0.004 . 1 . 271 . . 27 THR HG21 . 18956 1 292 . 1 1 27 27 THR HG22 H 1 1.344 0.004 . 1 . 271 . . 27 THR HG22 . 18956 1 293 . 1 1 27 27 THR HG23 H 1 1.344 0.004 . 1 . 271 . . 27 THR HG23 . 18956 1 294 . 1 1 27 27 THR C C 13 172.749 . . 1 . 263 . . 27 THR C . 18956 1 295 . 1 1 27 27 THR CA C 13 56.054 0.049 . 1 . 264 . . 27 THR CA . 18956 1 296 . 1 1 27 27 THR CB C 13 68.757 0.021 . 1 . 265 . . 27 THR CB . 18956 1 297 . 1 1 27 27 THR CG2 C 13 20.437 0.052 . 1 . 266 . . 27 THR CG2 . 18956 1 298 . 1 1 27 27 THR N N 15 115.530 0.047 . 1 . 272 . . 27 THR N . 18956 1 299 . 1 1 28 28 PRO HA H 1 4.276 0.003 . 1 . 278 . . 28 PRO HA . 18956 1 300 . 1 1 28 28 PRO HB2 H 1 1.947 0.004 . 2 . 279 . . 28 PRO HB2 . 18956 1 301 . 1 1 28 28 PRO HB3 H 1 2.254 0.004 . 2 . 280 . . 28 PRO HB3 . 18956 1 302 . 1 1 28 28 PRO HG2 H 1 2.139 0.068 . 2 . 283 . . 28 PRO HG2 . 18956 1 303 . 1 1 28 28 PRO HG3 H 1 2.056 0.077 . 2 . 284 . . 28 PRO HG3 . 18956 1 304 . 1 1 28 28 PRO HD2 H 1 3.373 0.004 . 2 . 281 . . 28 PRO HD2 . 18956 1 305 . 1 1 28 28 PRO HD3 H 1 3.771 0.002 . 2 . 282 . . 28 PRO HD3 . 18956 1 306 . 1 1 28 28 PRO C C 13 177.076 . . 1 . 273 . . 28 PRO C . 18956 1 307 . 1 1 28 28 PRO CA C 13 63.871 0.035 . 1 . 274 . . 28 PRO CA . 18956 1 308 . 1 1 28 28 PRO CB C 13 32.082 0.044 . 1 . 275 . . 28 PRO CB . 18956 1 309 . 1 1 28 28 PRO CG C 13 26.778 0.041 . 1 . 277 . . 28 PRO CG . 18956 1 310 . 1 1 28 28 PRO CD C 13 52.164 0.01 . 1 . 276 . . 28 PRO CD . 18956 1 311 . 1 1 29 29 ALA H H 1 8.013 0.004 . 1 . 288 . . 29 ALA H . 18956 1 312 . 1 1 29 29 ALA HA H 1 4.144 0.006 . 1 . 289 . . 29 ALA HA . 18956 1 313 . 1 1 29 29 ALA HB1 H 1 1.073 0.003 . 1 . 290 . . 29 ALA HB1 . 18956 1 314 . 1 1 29 29 ALA HB2 H 1 1.073 0.003 . 1 . 290 . . 29 ALA HB2 . 18956 1 315 . 1 1 29 29 ALA HB3 H 1 1.073 0.003 . 1 . 290 . . 29 ALA HB3 . 18956 1 316 . 1 1 29 29 ALA C C 13 177.067 . . 1 . 285 . . 29 ALA C . 18956 1 317 . 1 1 29 29 ALA CA C 13 52.433 0.036 . 1 . 286 . . 29 ALA CA . 18956 1 318 . 1 1 29 29 ALA CB C 13 18.426 0.044 . 1 . 287 . . 29 ALA CB . 18956 1 319 . 1 1 29 29 ALA N N 15 118.634 0.028 . 1 . 291 . . 29 ALA N . 18956 1 320 . 1 1 30 30 ASN H H 1 7.440 0.003 . 1 . 295 . . 30 ASN H . 18956 1 321 . 1 1 30 30 ASN HA H 1 4.666 0.006 . 1 . 296 . . 30 ASN HA . 18956 1 322 . 1 1 30 30 ASN HB2 H 1 2.825 0.004 . 2 . 297 . . 30 ASN HB2 . 18956 1 323 . 1 1 30 30 ASN HB3 H 1 2.912 0.005 . 2 . 298 . . 30 ASN HB3 . 18956 1 324 . 1 1 30 30 ASN HD21 H 1 7.526 0.002 . 1 . 299 . . 30 ASN HD21 . 18956 1 325 . 1 1 30 30 ASN HD22 H 1 7.072 0.002 . 1 . 300 . . 30 ASN HD22 . 18956 1 326 . 1 1 30 30 ASN C C 13 173.757 0.001 . 1 . 292 . . 30 ASN C . 18956 1 327 . 1 1 30 30 ASN CA C 13 52.910 0.022 . 1 . 293 . . 30 ASN CA . 18956 1 328 . 1 1 30 30 ASN CB C 13 38.804 0.018 . 1 . 294 . . 30 ASN CB . 18956 1 329 . 1 1 30 30 ASN N N 15 114.402 0.035 . 1 . 301 . . 30 ASN N . 18956 1 330 . 1 1 30 30 ASN ND2 N 15 109.566 0.003 . 1 . 302 . . 30 ASN ND2 . 18956 1 331 . 1 1 31 31 GLU H H 1 9.110 0.005 . 1 . 307 . . 31 GLU H . 18956 1 332 . 1 1 31 31 GLU HA H 1 4.258 0.008 . 1 . 308 . . 31 GLU HA . 18956 1 333 . 1 1 31 31 GLU HB2 H 1 1.972 0.001 . 2 . 309 . . 31 GLU HB2 . 18956 1 334 . 1 1 31 31 GLU HB3 H 1 2.022 0.004 . 2 . 310 . . 31 GLU HB3 . 18956 1 335 . 1 1 31 31 GLU HG2 H 1 2.245 0.005 . 1 . 311 . . 31 GLU HG2 . 18956 1 336 . 1 1 31 31 GLU HG3 H 1 2.245 0.005 . 1 . 312 . . 31 GLU HG3 . 18956 1 337 . 1 1 31 31 GLU C C 13 176.144 0.001 . 1 . 303 . . 31 GLU C . 18956 1 338 . 1 1 31 31 GLU CA C 13 58.293 0.028 . 1 . 304 . . 31 GLU CA . 18956 1 339 . 1 1 31 31 GLU CB C 13 29.078 0.015 . 1 . 305 . . 31 GLU CB . 18956 1 340 . 1 1 31 31 GLU CG C 13 35.717 0.017 . 1 . 306 . . 31 GLU CG . 18956 1 341 . 1 1 31 31 GLU N N 15 125.265 0.058 . 1 . 313 . . 31 GLU N . 18956 1 342 . 1 1 32 32 ASP H H 1 7.858 0.003 . 1 . 317 . . 32 ASP H . 18956 1 343 . 1 1 32 32 ASP HA H 1 4.850 0.002 . 1 . 318 . . 32 ASP HA . 18956 1 344 . 1 1 32 32 ASP HB2 H 1 2.537 0.006 . 2 . 319 . . 32 ASP HB2 . 18956 1 345 . 1 1 32 32 ASP HB3 H 1 2.852 0.005 . 2 . 320 . . 32 ASP HB3 . 18956 1 346 . 1 1 32 32 ASP C C 13 176.080 . . 1 . 314 . . 32 ASP C . 18956 1 347 . 1 1 32 32 ASP CA C 13 53.936 0.017 . 1 . 315 . . 32 ASP CA . 18956 1 348 . 1 1 32 32 ASP CB C 13 41.788 0.039 . 1 . 316 . . 32 ASP CB . 18956 1 349 . 1 1 32 32 ASP N N 15 117.343 0.032 . 1 . 321 . . 32 ASP N . 18956 1 350 . 1 1 33 33 ALA H H 1 7.544 0.003 . 1 . 325 . . 33 ALA H . 18956 1 351 . 1 1 33 33 ALA HA H 1 4.133 0.006 . 1 . 326 . . 33 ALA HA . 18956 1 352 . 1 1 33 33 ALA HB1 H 1 1.589 0.002 . 1 . 327 . . 33 ALA HB1 . 18956 1 353 . 1 1 33 33 ALA HB2 H 1 1.589 0.002 . 1 . 327 . . 33 ALA HB2 . 18956 1 354 . 1 1 33 33 ALA HB3 H 1 1.589 0.002 . 1 . 327 . . 33 ALA HB3 . 18956 1 355 . 1 1 33 33 ALA C C 13 176.096 0.002 . 1 . 322 . . 33 ALA C . 18956 1 356 . 1 1 33 33 ALA CA C 13 53.017 0.014 . 1 . 323 . . 33 ALA CA . 18956 1 357 . 1 1 33 33 ALA CB C 13 20.528 0.037 . 1 . 324 . . 33 ALA CB . 18956 1 358 . 1 1 33 33 ALA N N 15 123.732 0.037 . 1 . 328 . . 33 ALA N . 18956 1 359 . 1 1 34 34 LYS H H 1 7.942 0.003 . 1 . 335 . . 34 LYS H . 18956 1 360 . 1 1 34 34 LYS HA H 1 4.541 0.006 . 1 . 336 . . 34 LYS HA . 18956 1 361 . 1 1 34 34 LYS HB2 H 1 1.657 0.005 . 1 . 337 . . 34 LYS HB2 . 18956 1 362 . 1 1 34 34 LYS HB3 H 1 1.657 0.005 . 1 . 338 . . 34 LYS HB3 . 18956 1 363 . 1 1 34 34 LYS HG2 H 1 1.394 0.003 . 2 . 343 . . 34 LYS HG2 . 18956 1 364 . 1 1 34 34 LYS HG3 H 1 1.445 0.003 . 2 . 344 . . 34 LYS HG3 . 18956 1 365 . 1 1 34 34 LYS HD2 H 1 1.625 0.001 . 1 . 339 . . 34 LYS HD2 . 18956 1 366 . 1 1 34 34 LYS HD3 H 1 1.625 0.001 . 1 . 340 . . 34 LYS HD3 . 18956 1 367 . 1 1 34 34 LYS HE2 H 1 2.968 0.005 . 1 . 341 . . 34 LYS HE2 . 18956 1 368 . 1 1 34 34 LYS HE3 H 1 2.968 0.005 . 1 . 342 . . 34 LYS HE3 . 18956 1 369 . 1 1 34 34 LYS C C 13 175.592 0.001 . 1 . 329 . . 34 LYS C . 18956 1 370 . 1 1 34 34 LYS CA C 13 54.037 0.032 . 1 . 330 . . 34 LYS CA . 18956 1 371 . 1 1 34 34 LYS CB C 13 34.030 0.053 . 1 . 331 . . 34 LYS CB . 18956 1 372 . 1 1 34 34 LYS CG C 13 24.683 0.011 . 1 . 334 . . 34 LYS CG . 18956 1 373 . 1 1 34 34 LYS CD C 13 28.586 0.025 . 1 . 332 . . 34 LYS CD . 18956 1 374 . 1 1 34 34 LYS CE C 13 41.934 0.017 . 1 . 333 . . 34 LYS CE . 18956 1 375 . 1 1 34 34 LYS N N 15 118.521 0.028 . 1 . 345 . . 34 LYS N . 18956 1 376 . 1 1 35 35 VAL H H 1 8.328 0.003 . 1 . 351 . . 35 VAL H . 18956 1 377 . 1 1 35 35 VAL HA H 1 3.696 0.004 . 1 . 352 . . 35 VAL HA . 18956 1 378 . 1 1 35 35 VAL HB H 1 1.907 0.003 . 1 . 353 . . 35 VAL HB . 18956 1 379 . 1 1 35 35 VAL HG11 H 1 0.456 0.002 . 2 . 354 . . 35 VAL HG11 . 18956 1 380 . 1 1 35 35 VAL HG12 H 1 0.456 0.002 . 2 . 354 . . 35 VAL HG12 . 18956 1 381 . 1 1 35 35 VAL HG13 H 1 0.456 0.002 . 2 . 354 . . 35 VAL HG13 . 18956 1 382 . 1 1 35 35 VAL HG21 H 1 0.705 0.004 . 2 . 355 . . 35 VAL HG21 . 18956 1 383 . 1 1 35 35 VAL HG22 H 1 0.705 0.004 . 2 . 355 . . 35 VAL HG22 . 18956 1 384 . 1 1 35 35 VAL HG23 H 1 0.705 0.004 . 2 . 355 . . 35 VAL HG23 . 18956 1 385 . 1 1 35 35 VAL C C 13 175.022 0.016 . 1 . 346 . . 35 VAL C . 18956 1 386 . 1 1 35 35 VAL CA C 13 62.405 0.021 . 1 . 347 . . 35 VAL CA . 18956 1 387 . 1 1 35 35 VAL CB C 13 29.745 0.068 . 1 . 348 . . 35 VAL CB . 18956 1 388 . 1 1 35 35 VAL CG1 C 13 20.394 0.027 . 2 . 349 . . 35 VAL CG1 . 18956 1 389 . 1 1 35 35 VAL CG2 C 13 21.661 0.006 . 2 . 350 . . 35 VAL CG2 . 18956 1 390 . 1 1 35 35 VAL N N 15 123.008 0.047 . 1 . 356 . . 35 VAL N . 18956 1 391 . 1 1 36 36 ILE H H 1 8.004 0.004 . 1 . 363 . . 36 ILE H . 18956 1 392 . 1 1 36 36 ILE HA H 1 4.218 0.008 . 1 . 364 . . 36 ILE HA . 18956 1 393 . 1 1 36 36 ILE HB H 1 1.758 0.004 . 1 . 365 . . 36 ILE HB . 18956 1 394 . 1 1 36 36 ILE HG12 H 1 1.118 0.005 . 2 . 367 . . 36 ILE HG12 . 18956 1 395 . 1 1 36 36 ILE HG13 H 1 1.386 0.006 . 2 . 368 . . 36 ILE HG13 . 18956 1 396 . 1 1 36 36 ILE HG21 H 1 0.876 0.004 . 1 . 369 . . 36 ILE HG21 . 18956 1 397 . 1 1 36 36 ILE HG22 H 1 0.876 0.004 . 1 . 369 . . 36 ILE HG22 . 18956 1 398 . 1 1 36 36 ILE HG23 H 1 0.876 0.004 . 1 . 369 . . 36 ILE HG23 . 18956 1 399 . 1 1 36 36 ILE HD11 H 1 0.830 0.006 . 1 . 366 . . 36 ILE HD11 . 18956 1 400 . 1 1 36 36 ILE HD12 H 1 0.830 0.006 . 1 . 366 . . 36 ILE HD12 . 18956 1 401 . 1 1 36 36 ILE HD13 H 1 0.830 0.006 . 1 . 366 . . 36 ILE HD13 . 18956 1 402 . 1 1 36 36 ILE C C 13 174.939 0.026 . 1 . 357 . . 36 ILE C . 18956 1 403 . 1 1 36 36 ILE CA C 13 60.911 0.013 . 1 . 358 . . 36 ILE CA . 18956 1 404 . 1 1 36 36 ILE CB C 13 40.955 0.062 . 1 . 359 . . 36 ILE CB . 18956 1 405 . 1 1 36 36 ILE CG1 C 13 27.005 0.051 . 1 . 361 . . 36 ILE CG1 . 18956 1 406 . 1 1 36 36 ILE CG2 C 13 17.686 0.038 . 1 . 362 . . 36 ILE CG2 . 18956 1 407 . 1 1 36 36 ILE CD1 C 13 12.795 0.022 . 1 . 360 . . 36 ILE CD1 . 18956 1 408 . 1 1 36 36 ILE N N 15 123.995 0.038 . 1 . 370 . . 36 ILE N . 18956 1 409 . 1 1 37 37 ASP H H 1 8.161 0.003 . 1 . 374 . . 37 ASP H . 18956 1 410 . 1 1 37 37 ASP HA H 1 4.738 0.01 . 1 . 375 . . 37 ASP HA . 18956 1 411 . 1 1 37 37 ASP HB2 H 1 2.316 0.005 . 2 . 376 . . 37 ASP HB2 . 18956 1 412 . 1 1 37 37 ASP HB3 H 1 2.475 0.006 . 2 . 377 . . 37 ASP HB3 . 18956 1 413 . 1 1 37 37 ASP C C 13 175.225 . . 1 . 371 . . 37 ASP C . 18956 1 414 . 1 1 37 37 ASP CA C 13 52.902 0.041 . 1 . 372 . . 37 ASP CA . 18956 1 415 . 1 1 37 37 ASP CB C 13 41.712 0.044 . 1 . 373 . . 37 ASP CB . 18956 1 416 . 1 1 37 37 ASP N N 15 123.355 0.028 . 1 . 378 . . 37 ASP N . 18956 1 417 . 1 1 38 38 LEU H H 1 8.338 0.012 . 1 . 385 . . 38 LEU H . 18956 1 418 . 1 1 38 38 LEU HA H 1 3.829 0.003 . 1 . 386 . . 38 LEU HA . 18956 1 419 . 1 1 38 38 LEU HB2 H 1 1.158 0.004 . 2 . 387 . . 38 LEU HB2 . 18956 1 420 . 1 1 38 38 LEU HB3 H 1 1.660 0.003 . 2 . 388 . . 38 LEU HB3 . 18956 1 421 . 1 1 38 38 LEU HG H 1 1.469 0.004 . 1 . 391 . . 38 LEU HG . 18956 1 422 . 1 1 38 38 LEU HD11 H 1 0.504 0.003 . 2 . 389 . . 38 LEU HD11 . 18956 1 423 . 1 1 38 38 LEU HD12 H 1 0.504 0.003 . 2 . 389 . . 38 LEU HD12 . 18956 1 424 . 1 1 38 38 LEU HD13 H 1 0.504 0.003 . 2 . 389 . . 38 LEU HD13 . 18956 1 425 . 1 1 38 38 LEU HD21 H 1 0.834 0.005 . 2 . 390 . . 38 LEU HD21 . 18956 1 426 . 1 1 38 38 LEU HD22 H 1 0.834 0.005 . 2 . 390 . . 38 LEU HD22 . 18956 1 427 . 1 1 38 38 LEU HD23 H 1 0.834 0.005 . 2 . 390 . . 38 LEU HD23 . 18956 1 428 . 1 1 38 38 LEU C C 13 174.839 0.001 . 1 . 379 . . 38 LEU C . 18956 1 429 . 1 1 38 38 LEU CA C 13 53.677 0.017 . 1 . 380 . . 38 LEU CA . 18956 1 430 . 1 1 38 38 LEU CB C 13 38.177 0.011 . 1 . 381 . . 38 LEU CB . 18956 1 431 . 1 1 38 38 LEU CG C 13 26.542 0.069 . 1 . 384 . . 38 LEU CG . 18956 1 432 . 1 1 38 38 LEU CD1 C 13 22.626 0.017 . 2 . 382 . . 38 LEU CD1 . 18956 1 433 . 1 1 38 38 LEU CD2 C 13 25.055 0.033 . 2 . 383 . . 38 LEU CD2 . 18956 1 434 . 1 1 38 38 LEU N N 15 124.963 0.081 . 1 . 392 . . 38 LEU N . 18956 1 435 . 1 1 39 39 MET H H 1 8.690 0.003 . 1 . 398 . . 39 MET H . 18956 1 436 . 1 1 39 39 MET HA H 1 4.279 0.004 . 1 . 399 . . 39 MET HA . 18956 1 437 . 1 1 39 39 MET HB2 H 1 1.691 0.008 . 2 . 400 . . 39 MET HB2 . 18956 1 438 . 1 1 39 39 MET HB3 H 1 1.910 0.004 . 2 . 401 . . 39 MET HB3 . 18956 1 439 . 1 1 39 39 MET HG2 H 1 2.246 0.007 . 2 . 403 . . 39 MET HG2 . 18956 1 440 . 1 1 39 39 MET HG3 H 1 2.322 0.006 . 2 . 404 . . 39 MET HG3 . 18956 1 441 . 1 1 39 39 MET HE1 H 1 2.086 0.004 . 1 . 402 . . 39 MET HE1 . 18956 1 442 . 1 1 39 39 MET HE2 H 1 2.086 0.004 . 1 . 402 . . 39 MET HE2 . 18956 1 443 . 1 1 39 39 MET HE3 H 1 2.086 0.004 . 1 . 402 . . 39 MET HE3 . 18956 1 444 . 1 1 39 39 MET C C 13 174.062 0.001 . 1 . 393 . . 39 MET C . 18956 1 445 . 1 1 39 39 MET CA C 13 53.738 0.011 . 1 . 394 . . 39 MET CA . 18956 1 446 . 1 1 39 39 MET CB C 13 36.451 0.031 . 1 . 395 . . 39 MET CB . 18956 1 447 . 1 1 39 39 MET CG C 13 30.987 0.015 . 1 . 397 . . 39 MET CG . 18956 1 448 . 1 1 39 39 MET CE C 13 16.909 . . 1 . 396 . . 39 MET CE . 18956 1 449 . 1 1 39 39 MET N N 15 123.288 0.032 . 1 . 405 . . 39 MET N . 18956 1 450 . 1 1 40 40 TRP H H 1 8.608 0.004 . 1 . 414 . . 40 TRP H . 18956 1 451 . 1 1 40 40 TRP HA H 1 4.645 0.004 . 1 . 415 . . 40 TRP HA . 18956 1 452 . 1 1 40 40 TRP HB2 H 1 2.930 0.004 . 2 . 416 . . 40 TRP HB2 . 18956 1 453 . 1 1 40 40 TRP HB3 H 1 3.190 0.004 . 2 . 417 . . 40 TRP HB3 . 18956 1 454 . 1 1 40 40 TRP HD1 H 1 7.300 0.005 . 1 . 418 . . 40 TRP HD1 . 18956 1 455 . 1 1 40 40 TRP HE1 H 1 10.099 0.002 . 1 . 419 . . 40 TRP HE1 . 18956 1 456 . 1 1 40 40 TRP HE3 H 1 7.311 0.002 . 1 . 420 . . 40 TRP HE3 . 18956 1 457 . 1 1 40 40 TRP HZ2 H 1 7.435 0.004 . 1 . 422 . . 40 TRP HZ2 . 18956 1 458 . 1 1 40 40 TRP HZ3 H 1 6.845 0.002 . 1 . 423 . . 40 TRP HZ3 . 18956 1 459 . 1 1 40 40 TRP HH2 H 1 6.929 0.003 . 1 . 421 . . 40 TRP HH2 . 18956 1 460 . 1 1 40 40 TRP C C 13 176.531 0.001 . 1 . 406 . . 40 TRP C . 18956 1 461 . 1 1 40 40 TRP CA C 13 56.729 0.035 . 1 . 407 . . 40 TRP CA . 18956 1 462 . 1 1 40 40 TRP CB C 13 28.938 0.012 . 1 . 408 . . 40 TRP CB . 18956 1 463 . 1 1 40 40 TRP CD1 C 13 128.089 . . 1 . 409 . . 40 TRP CD1 . 18956 1 464 . 1 1 40 40 TRP CE3 C 13 120.610 . . 1 . 410 . . 40 TRP CE3 . 18956 1 465 . 1 1 40 40 TRP CZ2 C 13 132.031 . . 1 . 412 . . 40 TRP CZ2 . 18956 1 466 . 1 1 40 40 TRP CZ3 C 13 120.810 . . 1 . 413 . . 40 TRP CZ3 . 18956 1 467 . 1 1 40 40 TRP CH2 C 13 124.379 . . 1 . 411 . . 40 TRP CH2 . 18956 1 468 . 1 1 40 40 TRP N N 15 123.202 0.03 . 1 . 424 . . 40 TRP N . 18956 1 469 . 1 1 40 40 TRP NE1 N 15 129.076 . . 1 . 425 . . 40 TRP NE1 . 18956 1 470 . 1 1 41 41 CYS H H 1 9.076 0.003 . 1 . 429 . . 41 CYS H . 18956 1 471 . 1 1 41 41 CYS HA H 1 3.961 0.004 . 1 . 430 . . 41 CYS HA . 18956 1 472 . 1 1 41 41 CYS HB2 H 1 2.271 0.107 . 2 . 431 . . 41 CYS HB2 . 18956 1 473 . 1 1 41 41 CYS HB3 H 1 2.033 0.114 . 2 . 432 . . 41 CYS HB3 . 18956 1 474 . 1 1 41 41 CYS C C 13 176.851 0.003 . 1 . 426 . . 41 CYS C . 18956 1 475 . 1 1 41 41 CYS CA C 13 60.118 0.071 . 1 . 427 . . 41 CYS CA . 18956 1 476 . 1 1 41 41 CYS CB C 13 30.098 0.038 . 1 . 428 . . 41 CYS CB . 18956 1 477 . 1 1 41 41 CYS N N 15 127.844 0.025 . 1 . 433 . . 41 CYS N . 18956 1 478 . 1 1 42 42 ASP H H 1 9.003 0.005 . 1 . 437 . . 42 ASP H . 18956 1 479 . 1 1 42 42 ASP HA H 1 4.391 0.005 . 1 . 438 . . 42 ASP HA . 18956 1 480 . 1 1 42 42 ASP HB2 H 1 2.772 0.007 . 2 . 439 . . 42 ASP HB2 . 18956 1 481 . 1 1 42 42 ASP HB3 H 1 2.800 0.006 . 2 . 440 . . 42 ASP HB3 . 18956 1 482 . 1 1 42 42 ASP C C 13 177.467 0.003 . 1 . 434 . . 42 ASP C . 18956 1 483 . 1 1 42 42 ASP CA C 13 57.314 0.021 . 1 . 435 . . 42 ASP CA . 18956 1 484 . 1 1 42 42 ASP CB C 13 40.307 0.013 . 1 . 436 . . 42 ASP CB . 18956 1 485 . 1 1 42 42 ASP N N 15 130.323 0.036 . 1 . 441 . . 42 ASP N . 18956 1 486 . 1 1 43 43 LYS H H 1 8.195 0.003 . 1 . 448 . . 43 LYS H . 18956 1 487 . 1 1 43 43 LYS HA H 1 4.185 0.01 . 1 . 449 . . 43 LYS HA . 18956 1 488 . 1 1 43 43 LYS HB2 H 1 1.699 0.006 . 1 . 450 . . 43 LYS HB2 . 18956 1 489 . 1 1 43 43 LYS HB3 H 1 1.699 0.006 . 1 . 451 . . 43 LYS HB3 . 18956 1 490 . 1 1 43 43 LYS HG2 H 1 1.378 0.005 . 2 . 456 . . 43 LYS HG2 . 18956 1 491 . 1 1 43 43 LYS HG3 H 1 1.680 0.004 . 2 . 457 . . 43 LYS HG3 . 18956 1 492 . 1 1 43 43 LYS HD2 H 1 1.675 0.005 . 2 . 452 . . 43 LYS HD2 . 18956 1 493 . 1 1 43 43 LYS HD3 H 1 1.723 0.003 . 2 . 453 . . 43 LYS HD3 . 18956 1 494 . 1 1 43 43 LYS HE2 H 1 3.025 0.008 . 1 . 454 . . 43 LYS HE2 . 18956 1 495 . 1 1 43 43 LYS HE3 H 1 3.025 0.008 . 1 . 455 . . 43 LYS HE3 . 18956 1 496 . 1 1 43 43 LYS C C 13 177.884 0.005 . 1 . 442 . . 43 LYS C . 18956 1 497 . 1 1 43 43 LYS CA C 13 57.753 0.048 . 1 . 443 . . 43 LYS CA . 18956 1 498 . 1 1 43 43 LYS CB C 13 32.508 0.039 . 1 . 444 . . 43 LYS CB . 18956 1 499 . 1 1 43 43 LYS CG C 13 25.923 0.04 . 1 . 447 . . 43 LYS CG . 18956 1 500 . 1 1 43 43 LYS CD C 13 29.132 0.026 . 1 . 445 . . 43 LYS CD . 18956 1 501 . 1 1 43 43 LYS CE C 13 41.831 0.022 . 1 . 446 . . 43 LYS CE . 18956 1 502 . 1 1 43 43 LYS N N 15 120.197 0.028 . 1 . 458 . . 43 LYS N . 18956 1 503 . 1 1 44 44 ASN H H 1 8.285 0.003 . 1 . 462 . . 44 ASN H . 18956 1 504 . 1 1 44 44 ASN HA H 1 4.529 0.005 . 1 . 463 . . 44 ASN HA . 18956 1 505 . 1 1 44 44 ASN HB2 H 1 2.906 0.004 . 2 . 464 . . 44 ASN HB2 . 18956 1 506 . 1 1 44 44 ASN HB3 H 1 3.549 0.003 . 2 . 465 . . 44 ASN HB3 . 18956 1 507 . 1 1 44 44 ASN HD21 H 1 7.665 0.002 . 1 . 466 . . 44 ASN HD21 . 18956 1 508 . 1 1 44 44 ASN HD22 H 1 7.393 0.003 . 1 . 467 . . 44 ASN HD22 . 18956 1 509 . 1 1 44 44 ASN C C 13 176.167 0.002 . 1 . 459 . . 44 ASN C . 18956 1 510 . 1 1 44 44 ASN CA C 13 55.200 0.021 . 1 . 460 . . 44 ASN CA . 18956 1 511 . 1 1 44 44 ASN CB C 13 36.040 0.015 . 1 . 461 . . 44 ASN CB . 18956 1 512 . 1 1 44 44 ASN N N 15 119.853 0.043 . 1 . 468 . . 44 ASN N . 18956 1 513 . 1 1 44 44 ASN ND2 N 15 109.433 . . 1 . 469 . . 44 ASN ND2 . 18956 1 514 . 1 1 45 45 LEU H H 1 8.570 0.004 . 1 . 476 . . 45 LEU H . 18956 1 515 . 1 1 45 45 LEU HA H 1 4.254 0.005 . 1 . 477 . . 45 LEU HA . 18956 1 516 . 1 1 45 45 LEU HB2 H 1 1.647 0.004 . 2 . 478 . . 45 LEU HB2 . 18956 1 517 . 1 1 45 45 LEU HB3 H 1 1.925 0.004 . 2 . 479 . . 45 LEU HB3 . 18956 1 518 . 1 1 45 45 LEU HG H 1 1.456 0.322 . 1 . 482 . . 45 LEU HG . 18956 1 519 . 1 1 45 45 LEU HD11 H 1 0.712 0.002 . 2 . 480 . . 45 LEU HD11 . 18956 1 520 . 1 1 45 45 LEU HD12 H 1 0.712 0.002 . 2 . 480 . . 45 LEU HD12 . 18956 1 521 . 1 1 45 45 LEU HD13 H 1 0.712 0.002 . 2 . 480 . . 45 LEU HD13 . 18956 1 522 . 1 1 45 45 LEU HD21 H 1 0.761 0.088 . 2 . 481 . . 45 LEU HD21 . 18956 1 523 . 1 1 45 45 LEU HD22 H 1 0.761 0.088 . 2 . 481 . . 45 LEU HD22 . 18956 1 524 . 1 1 45 45 LEU HD23 H 1 0.761 0.088 . 2 . 481 . . 45 LEU HD23 . 18956 1 525 . 1 1 45 45 LEU C C 13 177.243 0.001 . 1 . 470 . . 45 LEU C . 18956 1 526 . 1 1 45 45 LEU CA C 13 57.316 0.017 . 1 . 471 . . 45 LEU CA . 18956 1 527 . 1 1 45 45 LEU CB C 13 40.521 0.052 . 1 . 472 . . 45 LEU CB . 18956 1 528 . 1 1 45 45 LEU CG C 13 26.468 0.037 . 1 . 475 . . 45 LEU CG . 18956 1 529 . 1 1 45 45 LEU CD1 C 13 22.539 0.035 . 1 . 473 . . 45 LEU CD1 . 18956 1 530 . 1 1 45 45 LEU CD2 C 13 22.539 0.035 . 1 . 474 . . 45 LEU CD2 . 18956 1 531 . 1 1 45 45 LEU N N 15 121.031 0.033 . 1 . 483 . . 45 LEU N . 18956 1 532 . 1 1 46 46 THR H H 1 8.142 0.005 . 1 . 488 . . 46 THR H . 18956 1 533 . 1 1 46 46 THR HA H 1 4.455 0.003 . 1 . 489 . . 46 THR HA . 18956 1 534 . 1 1 46 46 THR HB H 1 4.485 0.002 . 1 . 490 . . 46 THR HB . 18956 1 535 . 1 1 46 46 THR HG21 H 1 1.183 0.005 . 1 . 491 . . 46 THR HG21 . 18956 1 536 . 1 1 46 46 THR HG22 H 1 1.183 0.005 . 1 . 491 . . 46 THR HG22 . 18956 1 537 . 1 1 46 46 THR HG23 H 1 1.183 0.005 . 1 . 491 . . 46 THR HG23 . 18956 1 538 . 1 1 46 46 THR C C 13 174.002 0.005 . 1 . 484 . . 46 THR C . 18956 1 539 . 1 1 46 46 THR CA C 13 60.506 0.023 . 1 . 485 . . 46 THR CA . 18956 1 540 . 1 1 46 46 THR CB C 13 68.755 0.047 . 1 . 486 . . 46 THR CB . 18956 1 541 . 1 1 46 46 THR CG2 C 13 21.584 0.043 . 1 . 487 . . 46 THR CG2 . 18956 1 542 . 1 1 46 46 THR N N 15 107.705 0.033 . 1 . 492 . . 46 THR N . 18956 1 543 . 1 1 47 47 CYS H H 1 7.592 0.004 . 1 . 496 . . 47 CYS H . 18956 1 544 . 1 1 47 47 CYS HA H 1 3.601 0.004 . 1 . 497 . . 47 CYS HA . 18956 1 545 . 1 1 47 47 CYS HB2 H 1 3.114 0.004 . 2 . 498 . . 47 CYS HB2 . 18956 1 546 . 1 1 47 47 CYS HB3 H 1 3.596 0.005 . 2 . 499 . . 47 CYS HB3 . 18956 1 547 . 1 1 47 47 CYS C C 13 174.087 . . 1 . 493 . . 47 CYS C . 18956 1 548 . 1 1 47 47 CYS CA C 13 63.078 0.05 . 1 . 494 . . 47 CYS CA . 18956 1 549 . 1 1 47 47 CYS CB C 13 29.696 0.028 . 1 . 495 . . 47 CYS CB . 18956 1 550 . 1 1 47 47 CYS N N 15 124.991 0.028 . 1 . 500 . . 47 CYS N . 18956 1 551 . 1 1 48 48 ASP H H 1 8.326 0.004 . 1 . 504 . . 48 ASP H . 18956 1 552 . 1 1 48 48 ASP HA H 1 4.650 0.01 . 1 . 505 . . 48 ASP HA . 18956 1 553 . 1 1 48 48 ASP HB2 H 1 2.522 0.004 . 2 . 506 . . 48 ASP HB2 . 18956 1 554 . 1 1 48 48 ASP HB3 H 1 3.018 0.004 . 2 . 507 . . 48 ASP HB3 . 18956 1 555 . 1 1 48 48 ASP C C 13 175.116 . . 1 . 501 . . 48 ASP C . 18956 1 556 . 1 1 48 48 ASP CA C 13 52.238 0.023 . 1 . 502 . . 48 ASP CA . 18956 1 557 . 1 1 48 48 ASP CB C 13 40.278 0.025 . 1 . 503 . . 48 ASP CB . 18956 1 558 . 1 1 48 48 ASP N N 15 127.831 0.032 . 1 . 508 . . 48 ASP N . 18956 1 559 . 1 1 49 49 ASN H H 1 7.810 0.009 . 1 . 512 . . 49 ASN H . 18956 1 560 . 1 1 49 49 ASN HA H 1 5.215 0.006 . 1 . 513 . . 49 ASN HA . 18956 1 561 . 1 1 49 49 ASN HB2 H 1 2.964 0.054 . 2 . 514 . . 49 ASN HB2 . 18956 1 562 . 1 1 49 49 ASN HB3 H 1 3.068 0.051 . 2 . 515 . . 49 ASN HB3 . 18956 1 563 . 1 1 49 49 ASN HD21 H 1 7.863 0.035 . 1 . 516 . . 49 ASN HD21 . 18956 1 564 . 1 1 49 49 ASN HD22 H 1 7.199 0.048 . 1 . 517 . . 49 ASN HD22 . 18956 1 565 . 1 1 49 49 ASN C C 13 174.062 . . 1 . 509 . . 49 ASN C . 18956 1 566 . 1 1 49 49 ASN CA C 13 49.287 0.057 . 1 . 510 . . 49 ASN CA . 18956 1 567 . 1 1 49 49 ASN CB C 13 40.036 0.032 . 1 . 511 . . 49 ASN CB . 18956 1 568 . 1 1 49 49 ASN N N 15 120.319 0.055 . 1 . 518 . . 49 ASN N . 18956 1 569 . 1 1 49 49 ASN ND2 N 15 110.542 0.002 . 1 . 519 . . 49 ASN ND2 . 18956 1 570 . 1 1 50 50 PRO HA H 1 4.054 0.004 . 1 . 525 . . 50 PRO HA . 18956 1 571 . 1 1 50 50 PRO HB2 H 1 2.155 0.005 . 2 . 526 . . 50 PRO HB2 . 18956 1 572 . 1 1 50 50 PRO HB3 H 1 2.275 0.003 . 2 . 527 . . 50 PRO HB3 . 18956 1 573 . 1 1 50 50 PRO HG2 H 1 2.100 0.004 . 1 . 530 . . 50 PRO HG2 . 18956 1 574 . 1 1 50 50 PRO HG3 H 1 2.100 0.004 . 1 . 531 . . 50 PRO HG3 . 18956 1 575 . 1 1 50 50 PRO HD2 H 1 4.120 0.002 . 1 . 528 . . 50 PRO HD2 . 18956 1 576 . 1 1 50 50 PRO HD3 H 1 4.120 0.002 . 1 . 529 . . 50 PRO HD3 . 18956 1 577 . 1 1 50 50 PRO C C 13 176.166 . . 1 . 520 . . 50 PRO C . 18956 1 578 . 1 1 50 50 PRO CA C 13 64.120 0.045 . 1 . 521 . . 50 PRO CA . 18956 1 579 . 1 1 50 50 PRO CB C 13 32.051 0.004 . 1 . 522 . . 50 PRO CB . 18956 1 580 . 1 1 50 50 PRO CG C 13 27.147 0.032 . 1 . 524 . . 50 PRO CG . 18956 1 581 . 1 1 50 50 PRO CD C 13 51.115 0.027 . 1 . 523 . . 50 PRO CD . 18956 1 582 . 1 1 51 51 GLU H H 1 7.601 0.003 . 1 . 536 . . 51 GLU H . 18956 1 583 . 1 1 51 51 GLU HA H 1 4.402 0.006 . 1 . 537 . . 51 GLU HA . 18956 1 584 . 1 1 51 51 GLU HB2 H 1 1.899 0.004 . 2 . 538 . . 51 GLU HB2 . 18956 1 585 . 1 1 51 51 GLU HB3 H 1 2.327 0.003 . 2 . 539 . . 51 GLU HB3 . 18956 1 586 . 1 1 51 51 GLU HG2 H 1 2.172 0.006 . 2 . 540 . . 51 GLU HG2 . 18956 1 587 . 1 1 51 51 GLU HG3 H 1 2.301 0.008 . 2 . 541 . . 51 GLU HG3 . 18956 1 588 . 1 1 51 51 GLU C C 13 175.617 0.006 . 1 . 532 . . 51 GLU C . 18956 1 589 . 1 1 51 51 GLU CA C 13 55.021 0.023 . 1 . 533 . . 51 GLU CA . 18956 1 590 . 1 1 51 51 GLU CB C 13 29.297 0.018 . 1 . 534 . . 51 GLU CB . 18956 1 591 . 1 1 51 51 GLU CG C 13 36.522 0.006 . 1 . 535 . . 51 GLU CG . 18956 1 592 . 1 1 51 51 GLU N N 15 114.997 0.036 . 1 . 542 . . 51 GLU N . 18956 1 593 . 1 1 52 52 CYS H H 1 7.665 0.003 . 1 . 546 . . 52 CYS H . 18956 1 594 . 1 1 52 52 CYS HA H 1 3.994 0.004 . 1 . 547 . . 52 CYS HA . 18956 1 595 . 1 1 52 52 CYS HB2 H 1 3.020 0.004 . 2 . 548 . . 52 CYS HB2 . 18956 1 596 . 1 1 52 52 CYS HB3 H 1 3.102 0.006 . 2 . 549 . . 52 CYS HB3 . 18956 1 597 . 1 1 52 52 CYS C C 13 177.599 0.003 . 1 . 543 . . 52 CYS C . 18956 1 598 . 1 1 52 52 CYS CA C 13 62.310 0.046 . 1 . 544 . . 52 CYS CA . 18956 1 599 . 1 1 52 52 CYS CB C 13 30.143 0.025 . 1 . 545 . . 52 CYS CB . 18956 1 600 . 1 1 52 52 CYS N N 15 123.732 0.03 . 1 . 550 . . 52 CYS N . 18956 1 601 . 1 1 53 53 ARG H H 1 9.276 0.004 . 1 . 556 . . 53 ARG H . 18956 1 602 . 1 1 53 53 ARG HA H 1 4.980 0.003 . 1 . 557 . . 53 ARG HA . 18956 1 603 . 1 1 53 53 ARG HB2 H 1 1.868 0.008 . 2 . 558 . . 53 ARG HB2 . 18956 1 604 . 1 1 53 53 ARG HB3 H 1 2.260 0.005 . 2 . 559 . . 53 ARG HB3 . 18956 1 605 . 1 1 53 53 ARG HG2 H 1 1.845 0.008 . 2 . 562 . . 53 ARG HG2 . 18956 1 606 . 1 1 53 53 ARG HG3 H 1 1.939 0.003 . 2 . 563 . . 53 ARG HG3 . 18956 1 607 . 1 1 53 53 ARG HD2 H 1 3.271 0.004 . 1 . 560 . . 53 ARG HD2 . 18956 1 608 . 1 1 53 53 ARG HD3 H 1 3.271 0.004 . 1 . 561 . . 53 ARG HD3 . 18956 1 609 . 1 1 53 53 ARG C C 13 176.142 0.001 . 1 . 551 . . 53 ARG C . 18956 1 610 . 1 1 53 53 ARG CA C 13 55.414 0.042 . 1 . 552 . . 53 ARG CA . 18956 1 611 . 1 1 53 53 ARG CB C 13 31.980 0.043 . 1 . 553 . . 53 ARG CB . 18956 1 612 . 1 1 53 53 ARG CG C 13 27.126 0.026 . 1 . 555 . . 53 ARG CG . 18956 1 613 . 1 1 53 53 ARG CD C 13 43.791 0.029 . 1 . 554 . . 53 ARG CD . 18956 1 614 . 1 1 53 53 ARG N N 15 130.518 0.042 . 1 . 564 . . 53 ARG N . 18956 1 615 . 1 1 54 54 LYS H H 1 8.631 0.006 . 1 . 571 . . 54 LYS H . 18956 1 616 . 1 1 54 54 LYS HA H 1 5.503 0.002 . 1 . 572 . . 54 LYS HA . 18956 1 617 . 1 1 54 54 LYS HB2 H 1 1.479 0.006 . 2 . 573 . . 54 LYS HB2 . 18956 1 618 . 1 1 54 54 LYS HB3 H 1 2.147 0.004 . 2 . 574 . . 54 LYS HB3 . 18956 1 619 . 1 1 54 54 LYS HG2 H 1 1.362 0.004 . 2 . 579 . . 54 LYS HG2 . 18956 1 620 . 1 1 54 54 LYS HG3 H 1 1.756 0.004 . 2 . 580 . . 54 LYS HG3 . 18956 1 621 . 1 1 54 54 LYS HD2 H 1 1.465 0.004 . 2 . 575 . . 54 LYS HD2 . 18956 1 622 . 1 1 54 54 LYS HD3 H 1 1.685 0.005 . 2 . 576 . . 54 LYS HD3 . 18956 1 623 . 1 1 54 54 LYS HE2 H 1 3.133 0.005 . 1 . 577 . . 54 LYS HE2 . 18956 1 624 . 1 1 54 54 LYS HE3 H 1 3.133 0.005 . 1 . 578 . . 54 LYS HE3 . 18956 1 625 . 1 1 54 54 LYS C C 13 174.527 0.007 . 1 . 565 . . 54 LYS C . 18956 1 626 . 1 1 54 54 LYS CA C 13 56.355 0.046 . 1 . 566 . . 54 LYS CA . 18956 1 627 . 1 1 54 54 LYS CB C 13 35.450 0.063 . 1 . 567 . . 54 LYS CB . 18956 1 628 . 1 1 54 54 LYS CG C 13 27.123 0.038 . 1 . 570 . . 54 LYS CG . 18956 1 629 . 1 1 54 54 LYS CD C 13 30.816 0.043 . 1 . 568 . . 54 LYS CD . 18956 1 630 . 1 1 54 54 LYS CE C 13 42.335 0.016 . 1 . 569 . . 54 LYS CE . 18956 1 631 . 1 1 54 54 LYS N N 15 122.612 0.031 . 1 . 581 . . 54 LYS N . 18956 1 632 . 1 1 55 55 ALA H H 1 8.274 0.004 . 1 . 585 . . 55 ALA H . 18956 1 633 . 1 1 55 55 ALA HA H 1 4.658 0.004 . 1 . 586 . . 55 ALA HA . 18956 1 634 . 1 1 55 55 ALA HB1 H 1 0.668 0.003 . 1 . 587 . . 55 ALA HB1 . 18956 1 635 . 1 1 55 55 ALA HB2 H 1 0.668 0.003 . 1 . 587 . . 55 ALA HB2 . 18956 1 636 . 1 1 55 55 ALA HB3 H 1 0.668 0.003 . 1 . 587 . . 55 ALA HB3 . 18956 1 637 . 1 1 55 55 ALA C C 13 176.546 0.005 . 1 . 582 . . 55 ALA C . 18956 1 638 . 1 1 55 55 ALA CA C 13 51.477 0.047 . 1 . 583 . . 55 ALA CA . 18956 1 639 . 1 1 55 55 ALA CB C 13 21.060 0.054 . 1 . 584 . . 55 ALA CB . 18956 1 640 . 1 1 55 55 ALA N N 15 118.422 0.05 . 1 . 588 . . 55 ALA N . 18956 1 641 . 1 1 56 56 HIS H H 1 9.348 0.003 . 1 . 594 . . 56 HIS H . 18956 1 642 . 1 1 56 56 HIS HA H 1 5.323 0.004 . 1 . 595 . . 56 HIS HA . 18956 1 643 . 1 1 56 56 HIS HB2 H 1 2.946 0.002 . 2 . 596 . . 56 HIS HB2 . 18956 1 644 . 1 1 56 56 HIS HB3 H 1 3.521 0.003 . 2 . 597 . . 56 HIS HB3 . 18956 1 645 . 1 1 56 56 HIS HD1 H 1 10.907 0.002 . 1 . 598 . . 56 HIS HD1 . 18956 1 646 . 1 1 56 56 HIS HD2 H 1 8.004 0.003 . 1 . 599 . . 56 HIS HD2 . 18956 1 647 . 1 1 56 56 HIS HE1 H 1 8.445 0.002 . 1 . 600 . . 56 HIS HE1 . 18956 1 648 . 1 1 56 56 HIS C C 13 176.428 0.036 . 1 . 589 . . 56 HIS C . 18956 1 649 . 1 1 56 56 HIS CA C 13 55.221 0.017 . 1 . 590 . . 56 HIS CA . 18956 1 650 . 1 1 56 56 HIS CB C 13 31.614 0.032 . 1 . 591 . . 56 HIS CB . 18956 1 651 . 1 1 56 56 HIS CD2 C 13 127.411 . . 1 . 592 . . 56 HIS CD2 . 18956 1 652 . 1 1 56 56 HIS CE1 C 13 142.744 0.01 . 1 . 593 . . 56 HIS CE1 . 18956 1 653 . 1 1 56 56 HIS N N 15 118.709 0.033 . 1 . 601 . . 56 HIS N . 18956 1 654 . 1 1 56 56 HIS ND1 N 15 170.053 0.095 . 1 . 602 . . 56 HIS ND1 . 18956 1 655 . 1 1 56 56 HIS NE2 N 15 221.123 . . 1 . 603 . . 56 HIS NE2 . 18956 1 656 . 1 1 57 57 SER H H 1 10.390 0.003 . 1 . 607 . . 57 SER H . 18956 1 657 . 1 1 57 57 SER HA H 1 5.483 0.004 . 1 . 608 . . 57 SER HA . 18956 1 658 . 1 1 57 57 SER HB2 H 1 3.630 0.004 . 2 . 609 . . 57 SER HB2 . 18956 1 659 . 1 1 57 57 SER HB3 H 1 4.366 0.007 . 2 . 610 . . 57 SER HB3 . 18956 1 660 . 1 1 57 57 SER C C 13 169.536 0.002 . 1 . 604 . . 57 SER C . 18956 1 661 . 1 1 57 57 SER CA C 13 59.621 0.041 . 1 . 605 . . 57 SER CA . 18956 1 662 . 1 1 57 57 SER CB C 13 62.776 0.043 . 1 . 606 . . 57 SER CB . 18956 1 663 . 1 1 57 57 SER N N 15 122.280 0.071 . 1 . 611 . . 57 SER N . 18956 1 664 . 1 1 58 58 SER H H 1 8.344 0.008 . 1 . 615 . . 58 SER H . 18956 1 665 . 1 1 58 58 SER HA H 1 2.826 0.006 . 1 . 616 . . 58 SER HA . 18956 1 666 . 1 1 58 58 SER HB2 H 1 3.453 0.004 . 2 . 617 . . 58 SER HB2 . 18956 1 667 . 1 1 58 58 SER HB3 H 1 3.580 0.006 . 2 . 618 . . 58 SER HB3 . 18956 1 668 . 1 1 58 58 SER HG H 1 4.741 0.002 . 1 . 619 . . 58 SER HG . 18956 1 669 . 1 1 58 58 SER C C 13 176.029 . . 1 . 612 . . 58 SER C . 18956 1 670 . 1 1 58 58 SER CA C 13 58.114 0.041 . 1 . 613 . . 58 SER CA . 18956 1 671 . 1 1 58 58 SER CB C 13 64.212 0.04 . 1 . 614 . . 58 SER CB . 18956 1 672 . 1 1 58 58 SER N N 15 113.757 0.073 . 1 . 620 . . 58 SER N . 18956 1 673 . 1 1 59 59 LEU H H 1 8.683 0.004 . 1 . 627 . . 59 LEU H . 18956 1 674 . 1 1 59 59 LEU HA H 1 4.017 0.004 . 1 . 628 . . 59 LEU HA . 18956 1 675 . 1 1 59 59 LEU HB2 H 1 1.734 0.008 . 2 . 629 . . 59 LEU HB2 . 18956 1 676 . 1 1 59 59 LEU HB3 H 1 1.816 0.004 . 2 . 630 . . 59 LEU HB3 . 18956 1 677 . 1 1 59 59 LEU HG H 1 1.751 0.007 . 1 . 633 . . 59 LEU HG . 18956 1 678 . 1 1 59 59 LEU HD11 H 1 0.970 0.005 . 2 . 631 . . 59 LEU HD11 . 18956 1 679 . 1 1 59 59 LEU HD12 H 1 0.970 0.005 . 2 . 631 . . 59 LEU HD12 . 18956 1 680 . 1 1 59 59 LEU HD13 H 1 0.970 0.005 . 2 . 631 . . 59 LEU HD13 . 18956 1 681 . 1 1 59 59 LEU HD21 H 1 1.016 0.004 . 2 . 632 . . 59 LEU HD21 . 18956 1 682 . 1 1 59 59 LEU HD22 H 1 1.016 0.004 . 2 . 632 . . 59 LEU HD22 . 18956 1 683 . 1 1 59 59 LEU HD23 H 1 1.016 0.004 . 2 . 632 . . 59 LEU HD23 . 18956 1 684 . 1 1 59 59 LEU C C 13 178.423 0.003 . 1 . 621 . . 59 LEU C . 18956 1 685 . 1 1 59 59 LEU CA C 13 56.689 0.037 . 1 . 622 . . 59 LEU CA . 18956 1 686 . 1 1 59 59 LEU CB C 13 41.153 0.04 . 1 . 623 . . 59 LEU CB . 18956 1 687 . 1 1 59 59 LEU CG C 13 27.175 0.01 . 1 . 626 . . 59 LEU CG . 18956 1 688 . 1 1 59 59 LEU CD1 C 13 24.579 0.006 . 2 . 624 . . 59 LEU CD1 . 18956 1 689 . 1 1 59 59 LEU CD2 C 13 24.588 . . 2 . 625 . . 59 LEU CD2 . 18956 1 690 . 1 1 59 59 LEU N N 15 128.488 0.043 . 1 . 634 . . 59 LEU N . 18956 1 691 . 1 1 60 60 SER H H 1 7.498 0.003 . 1 . 638 . . 60 SER H . 18956 1 692 . 1 1 60 60 SER HA H 1 4.254 0.003 . 1 . 639 . . 60 SER HA . 18956 1 693 . 1 1 60 60 SER HB2 H 1 3.704 0.004 . 2 . 640 . . 60 SER HB2 . 18956 1 694 . 1 1 60 60 SER HB3 H 1 3.985 0.005 . 2 . 641 . . 60 SER HB3 . 18956 1 695 . 1 1 60 60 SER HG H 1 4.442 . . 1 . 642 . . 60 SER HG . 18956 1 696 . 1 1 60 60 SER C C 13 175.790 0.002 . 1 . 635 . . 60 SER C . 18956 1 697 . 1 1 60 60 SER CA C 13 60.439 0.03 . 1 . 636 . . 60 SER CA . 18956 1 698 . 1 1 60 60 SER CB C 13 62.924 0.052 . 1 . 637 . . 60 SER CB . 18956 1 699 . 1 1 60 60 SER N N 15 113.146 0.032 . 1 . 643 . . 60 SER N . 18956 1 700 . 1 1 61 61 LYS H H 1 7.887 0.003 . 1 . 650 . . 61 LYS H . 18956 1 701 . 1 1 61 61 LYS HA H 1 4.108 0.003 . 1 . 651 . . 61 LYS HA . 18956 1 702 . 1 1 61 61 LYS HB2 H 1 1.916 0.004 . 1 . 652 . . 61 LYS HB2 . 18956 1 703 . 1 1 61 61 LYS HB3 H 1 1.916 0.004 . 1 . 653 . . 61 LYS HB3 . 18956 1 704 . 1 1 61 61 LYS HG2 H 1 1.480 0.003 . 2 . 658 . . 61 LYS HG2 . 18956 1 705 . 1 1 61 61 LYS HG3 H 1 1.620 0.005 . 2 . 659 . . 61 LYS HG3 . 18956 1 706 . 1 1 61 61 LYS HD2 H 1 1.651 0.004 . 2 . 654 . . 61 LYS HD2 . 18956 1 707 . 1 1 61 61 LYS HD3 H 1 1.814 0.005 . 2 . 655 . . 61 LYS HD3 . 18956 1 708 . 1 1 61 61 LYS HE2 H 1 2.990 0.002 . 1 . 656 . . 61 LYS HE2 . 18956 1 709 . 1 1 61 61 LYS HE3 H 1 2.990 0.002 . 1 . 657 . . 61 LYS HE3 . 18956 1 710 . 1 1 61 61 LYS C C 13 177.541 0.004 . 1 . 644 . . 61 LYS C . 18956 1 711 . 1 1 61 61 LYS CA C 13 58.300 0.016 . 1 . 645 . . 61 LYS CA . 18956 1 712 . 1 1 61 61 LYS CB C 13 33.354 0.03 . 1 . 646 . . 61 LYS CB . 18956 1 713 . 1 1 61 61 LYS CG C 13 25.719 0.012 . 1 . 649 . . 61 LYS CG . 18956 1 714 . 1 1 61 61 LYS CD C 13 29.130 0.023 . 1 . 647 . . 61 LYS CD . 18956 1 715 . 1 1 61 61 LYS CE C 13 41.681 0.024 . 1 . 648 . . 61 LYS CE . 18956 1 716 . 1 1 61 61 LYS N N 15 122.022 0.038 . 1 . 660 . . 61 LYS N . 18956 1 717 . 1 1 62 62 ILE H H 1 7.766 0.003 . 1 . 667 . . 62 ILE H . 18956 1 718 . 1 1 62 62 ILE HA H 1 4.266 0.003 . 1 . 668 . . 62 ILE HA . 18956 1 719 . 1 1 62 62 ILE HB H 1 2.030 0.004 . 1 . 669 . . 62 ILE HB . 18956 1 720 . 1 1 62 62 ILE HG12 H 1 1.214 0.005 . 2 . 671 . . 62 ILE HG12 . 18956 1 721 . 1 1 62 62 ILE HG13 H 1 1.554 0.004 . 2 . 672 . . 62 ILE HG13 . 18956 1 722 . 1 1 62 62 ILE HG21 H 1 0.934 0.003 . 1 . 673 . . 62 ILE HG21 . 18956 1 723 . 1 1 62 62 ILE HG22 H 1 0.934 0.003 . 1 . 673 . . 62 ILE HG22 . 18956 1 724 . 1 1 62 62 ILE HG23 H 1 0.934 0.003 . 1 . 673 . . 62 ILE HG23 . 18956 1 725 . 1 1 62 62 ILE HD11 H 1 0.968 0.004 . 1 . 670 . . 62 ILE HD11 . 18956 1 726 . 1 1 62 62 ILE HD12 H 1 0.968 0.004 . 1 . 670 . . 62 ILE HD12 . 18956 1 727 . 1 1 62 62 ILE HD13 H 1 0.968 0.004 . 1 . 670 . . 62 ILE HD13 . 18956 1 728 . 1 1 62 62 ILE C C 13 175.952 0.005 . 1 . 661 . . 62 ILE C . 18956 1 729 . 1 1 62 62 ILE CA C 13 61.850 0.013 . 1 . 662 . . 62 ILE CA . 18956 1 730 . 1 1 62 62 ILE CB C 13 39.380 0.033 . 1 . 663 . . 62 ILE CB . 18956 1 731 . 1 1 62 62 ILE CG1 C 13 27.949 0.049 . 1 . 665 . . 62 ILE CG1 . 18956 1 732 . 1 1 62 62 ILE CG2 C 13 18.090 0.033 . 1 . 666 . . 62 ILE CG2 . 18956 1 733 . 1 1 62 62 ILE CD1 C 13 13.869 0.023 . 1 . 664 . . 62 ILE CD1 . 18956 1 734 . 1 1 62 62 ILE N N 15 114.534 0.036 . 1 . 674 . . 62 ILE N . 18956 1 735 . 1 1 63 63 LYS H H 1 7.818 0.002 . 1 . 681 . . 63 LYS H . 18956 1 736 . 1 1 63 63 LYS HA H 1 4.371 0.005 . 1 . 682 . . 63 LYS HA . 18956 1 737 . 1 1 63 63 LYS HB2 H 1 1.702 0.004 . 2 . 683 . . 63 LYS HB2 . 18956 1 738 . 1 1 63 63 LYS HB3 H 1 1.814 0.004 . 2 . 684 . . 63 LYS HB3 . 18956 1 739 . 1 1 63 63 LYS HG2 H 1 1.366 0.002 . 1 . 689 . . 63 LYS HG2 . 18956 1 740 . 1 1 63 63 LYS HD2 H 1 1.636 0.005 . 1 . 685 . . 63 LYS HD2 . 18956 1 741 . 1 1 63 63 LYS HD3 H 1 1.636 0.005 . 1 . 686 . . 63 LYS HD3 . 18956 1 742 . 1 1 63 63 LYS HE2 H 1 2.928 0.007 . 1 . 687 . . 63 LYS HE2 . 18956 1 743 . 1 1 63 63 LYS HE3 H 1 2.928 0.007 . 1 . 688 . . 63 LYS HE3 . 18956 1 744 . 1 1 63 63 LYS C C 13 175.495 0.002 . 1 . 675 . . 63 LYS C . 18956 1 745 . 1 1 63 63 LYS CA C 13 55.996 0.036 . 1 . 676 . . 63 LYS CA . 18956 1 746 . 1 1 63 63 LYS CB C 13 33.630 0.026 . 1 . 677 . . 63 LYS CB . 18956 1 747 . 1 1 63 63 LYS CG C 13 24.617 0.059 . 1 . 680 . . 63 LYS CG . 18956 1 748 . 1 1 63 63 LYS CD C 13 29.124 0.047 . 1 . 678 . . 63 LYS CD . 18956 1 749 . 1 1 63 63 LYS CE C 13 41.891 0.025 . 1 . 679 . . 63 LYS CE . 18956 1 750 . 1 1 63 63 LYS N N 15 122.021 0.047 . 1 . 690 . . 63 LYS N . 18956 1 751 . 1 1 64 64 GLU H H 1 8.055 0.003 . 1 . 695 . . 64 GLU H . 18956 1 752 . 1 1 64 64 GLU HA H 1 4.249 0.007 . 1 . 696 . . 64 GLU HA . 18956 1 753 . 1 1 64 64 GLU HB2 H 1 1.934 0.006 . 2 . 697 . . 64 GLU HB2 . 18956 1 754 . 1 1 64 64 GLU HB3 H 1 1.990 0.007 . 2 . 698 . . 64 GLU HB3 . 18956 1 755 . 1 1 64 64 GLU HG2 H 1 2.147 0.004 . 2 . 699 . . 64 GLU HG2 . 18956 1 756 . 1 1 64 64 GLU HG3 H 1 2.241 0.007 . 2 . 700 . . 64 GLU HG3 . 18956 1 757 . 1 1 64 64 GLU C C 13 176.191 0.001 . 1 . 691 . . 64 GLU C . 18956 1 758 . 1 1 64 64 GLU CA C 13 56.471 0.027 . 1 . 692 . . 64 GLU CA . 18956 1 759 . 1 1 64 64 GLU CB C 13 30.156 0.02 . 1 . 693 . . 64 GLU CB . 18956 1 760 . 1 1 64 64 GLU CG C 13 36.283 0.003 . 1 . 694 . . 64 GLU CG . 18956 1 761 . 1 1 64 64 GLU N N 15 120.969 0.031 . 1 . 701 . . 64 GLU N . 18956 1 762 . 1 1 65 65 VAL H H 1 8.197 0.003 . 1 . 707 . . 65 VAL H . 18956 1 763 . 1 1 65 65 VAL HA H 1 4.078 0.006 . 1 . 708 . . 65 VAL HA . 18956 1 764 . 1 1 65 65 VAL HB H 1 1.986 0.004 . 1 . 709 . . 65 VAL HB . 18956 1 765 . 1 1 65 65 VAL HG11 H 1 0.864 0.006 . 2 . 710 . . 65 VAL HG11 . 18956 1 766 . 1 1 65 65 VAL HG12 H 1 0.864 0.006 . 2 . 710 . . 65 VAL HG12 . 18956 1 767 . 1 1 65 65 VAL HG13 H 1 0.864 0.006 . 2 . 710 . . 65 VAL HG13 . 18956 1 768 . 1 1 65 65 VAL HG21 H 1 0.887 0.005 . 2 . 711 . . 65 VAL HG21 . 18956 1 769 . 1 1 65 65 VAL HG22 H 1 0.887 0.005 . 2 . 711 . . 65 VAL HG22 . 18956 1 770 . 1 1 65 65 VAL HG23 H 1 0.887 0.005 . 2 . 711 . . 65 VAL HG23 . 18956 1 771 . 1 1 65 65 VAL C C 13 175.724 . . 1 . 702 . . 65 VAL C . 18956 1 772 . 1 1 65 65 VAL CA C 13 62.099 0.027 . 1 . 703 . . 65 VAL CA . 18956 1 773 . 1 1 65 65 VAL CB C 13 32.729 0.059 . 1 . 704 . . 65 VAL CB . 18956 1 774 . 1 1 65 65 VAL CG1 C 13 20.486 0.003 . 2 . 705 . . 65 VAL CG1 . 18956 1 775 . 1 1 65 65 VAL CG2 C 13 21.106 0.009 . 2 . 706 . . 65 VAL CG2 . 18956 1 776 . 1 1 65 65 VAL N N 15 123.256 0.034 . 1 . 712 . . 65 VAL N . 18956 1 777 . 1 1 66 66 LYS H H 1 8.366 0.004 . 1 . 719 . . 66 LYS H . 18956 1 778 . 1 1 66 66 LYS HA H 1 4.610 0.007 . 1 . 720 . . 66 LYS HA . 18956 1 779 . 1 1 66 66 LYS HB2 H 1 1.706 0.005 . 2 . 721 . . 66 LYS HB2 . 18956 1 780 . 1 1 66 66 LYS HB3 H 1 1.799 0.004 . 2 . 722 . . 66 LYS HB3 . 18956 1 781 . 1 1 66 66 LYS HG2 H 1 1.418 0.018 . 2 . 727 . . 66 LYS HG2 . 18956 1 782 . 1 1 66 66 LYS HG3 H 1 1.461 0.004 . 2 . 728 . . 66 LYS HG3 . 18956 1 783 . 1 1 66 66 LYS HD2 H 1 1.669 0.006 . 1 . 723 . . 66 LYS HD2 . 18956 1 784 . 1 1 66 66 LYS HD3 H 1 1.669 0.006 . 1 . 724 . . 66 LYS HD3 . 18956 1 785 . 1 1 66 66 LYS HE2 H 1 2.974 0.004 . 1 . 725 . . 66 LYS HE2 . 18956 1 786 . 1 1 66 66 LYS HE3 H 1 2.974 0.004 . 1 . 726 . . 66 LYS HE3 . 18956 1 787 . 1 1 66 66 LYS C C 13 174.122 . . 1 . 713 . . 66 LYS C . 18956 1 788 . 1 1 66 66 LYS CA C 13 53.993 0.03 . 1 . 714 . . 66 LYS CA . 18956 1 789 . 1 1 66 66 LYS CB C 13 32.534 0.021 . 1 . 715 . . 66 LYS CB . 18956 1 790 . 1 1 66 66 LYS CG C 13 24.589 0.009 . 1 . 718 . . 66 LYS CG . 18956 1 791 . 1 1 66 66 LYS CD C 13 29.030 0.038 . 1 . 716 . . 66 LYS CD . 18956 1 792 . 1 1 66 66 LYS CE C 13 41.790 0.002 . 1 . 717 . . 66 LYS CE . 18956 1 793 . 1 1 66 66 LYS N N 15 126.768 0.075 . 1 . 729 . . 66 LYS N . 18956 1 794 . 1 1 67 67 PRO HA H 1 4.451 0.005 . 1 . 735 . . 67 PRO HA . 18956 1 795 . 1 1 67 67 PRO HB2 H 1 1.890 0.008 . 2 . 736 . . 67 PRO HB2 . 18956 1 796 . 1 1 67 67 PRO HB3 H 1 2.278 0.001 . 2 . 737 . . 67 PRO HB3 . 18956 1 797 . 1 1 67 67 PRO HG2 H 1 2.014 0.006 . 1 . 740 . . 67 PRO HG2 . 18956 1 798 . 1 1 67 67 PRO HG3 H 1 2.014 0.006 . 1 . 741 . . 67 PRO HG3 . 18956 1 799 . 1 1 67 67 PRO HD2 H 1 3.628 0.004 . 2 . 738 . . 67 PRO HD2 . 18956 1 800 . 1 1 67 67 PRO HD3 H 1 3.832 0.005 . 2 . 739 . . 67 PRO HD3 . 18956 1 801 . 1 1 67 67 PRO C C 13 176.980 . . 1 . 730 . . 67 PRO C . 18956 1 802 . 1 1 67 67 PRO CA C 13 62.898 0.026 . 1 . 731 . . 67 PRO CA . 18956 1 803 . 1 1 67 67 PRO CB C 13 32.100 0.027 . 1 . 732 . . 67 PRO CB . 18956 1 804 . 1 1 67 67 PRO CG C 13 27.410 0.046 . 1 . 734 . . 67 PRO CG . 18956 1 805 . 1 1 67 67 PRO CD C 13 50.664 0.016 . 1 . 733 . . 67 PRO CD . 18956 1 806 . 1 1 68 68 ILE H H 1 8.268 0.003 . 1 . 748 . . 68 ILE H . 18956 1 807 . 1 1 68 68 ILE HA H 1 4.146 0.008 . 1 . 749 . . 68 ILE HA . 18956 1 808 . 1 1 68 68 ILE HB H 1 1.858 0.007 . 1 . 750 . . 68 ILE HB . 18956 1 809 . 1 1 68 68 ILE HG12 H 1 1.218 0.006 . 2 . 752 . . 68 ILE HG12 . 18956 1 810 . 1 1 68 68 ILE HG13 H 1 1.501 0.005 . 2 . 753 . . 68 ILE HG13 . 18956 1 811 . 1 1 68 68 ILE HG21 H 1 0.925 0.005 . 1 . 754 . . 68 ILE HG21 . 18956 1 812 . 1 1 68 68 ILE HG22 H 1 0.925 0.005 . 1 . 754 . . 68 ILE HG22 . 18956 1 813 . 1 1 68 68 ILE HG23 H 1 0.925 0.005 . 1 . 754 . . 68 ILE HG23 . 18956 1 814 . 1 1 68 68 ILE HD11 H 1 0.871 0.005 . 1 . 751 . . 68 ILE HD11 . 18956 1 815 . 1 1 68 68 ILE HD12 H 1 0.871 0.005 . 1 . 751 . . 68 ILE HD12 . 18956 1 816 . 1 1 68 68 ILE HD13 H 1 0.871 0.005 . 1 . 751 . . 68 ILE HD13 . 18956 1 817 . 1 1 68 68 ILE C C 13 176.360 0.001 . 1 . 742 . . 68 ILE C . 18956 1 818 . 1 1 68 68 ILE CA C 13 61.302 0.012 . 1 . 743 . . 68 ILE CA . 18956 1 819 . 1 1 68 68 ILE CB C 13 38.794 0.031 . 1 . 744 . . 68 ILE CB . 18956 1 820 . 1 1 68 68 ILE CG1 C 13 27.369 0.012 . 1 . 746 . . 68 ILE CG1 . 18956 1 821 . 1 1 68 68 ILE CG2 C 13 17.551 0.036 . 1 . 747 . . 68 ILE CG2 . 18956 1 822 . 1 1 68 68 ILE CD1 C 13 13.091 0.015 . 1 . 745 . . 68 ILE CD1 . 18956 1 823 . 1 1 68 68 ILE N N 15 121.178 0.042 . 1 . 755 . . 68 ILE N . 18956 1 824 . 1 1 69 69 SER H H 1 8.316 0.003 . 1 . 759 . . 69 SER H . 18956 1 825 . 1 1 69 69 SER HA H 1 4.560 0.002 . 1 . 760 . . 69 SER HA . 18956 1 826 . 1 1 69 69 SER HB2 H 1 3.856 0.002 . 1 . 761 . . 69 SER HB2 . 18956 1 827 . 1 1 69 69 SER HB3 H 1 3.856 0.002 . 1 . 762 . . 69 SER HB3 . 18956 1 828 . 1 1 69 69 SER C C 13 174.164 0.001 . 1 . 756 . . 69 SER C . 18956 1 829 . 1 1 69 69 SER CA C 13 58.132 0.026 . 1 . 757 . . 69 SER CA . 18956 1 830 . 1 1 69 69 SER CB C 13 63.840 0.104 . 1 . 758 . . 69 SER CB . 18956 1 831 . 1 1 69 69 SER N N 15 119.278 0.03 . 1 . 763 . . 69 SER N . 18956 1 832 . 1 1 70 70 GLN H H 1 8.386 0.006 . 1 . 768 . . 70 GLN H . 18956 1 833 . 1 1 70 70 GLN HA H 1 4.365 0.005 . 1 . 769 . . 70 GLN HA . 18956 1 834 . 1 1 70 70 GLN HB2 H 1 1.962 0.006 . 2 . 770 . . 70 GLN HB2 . 18956 1 835 . 1 1 70 70 GLN HB3 H 1 2.149 0.005 . 2 . 771 . . 70 GLN HB3 . 18956 1 836 . 1 1 70 70 GLN HG2 H 1 2.363 0.008 . 1 . 772 . . 70 GLN HG2 . 18956 1 837 . 1 1 70 70 GLN HG3 H 1 2.363 0.008 . 1 . 773 . . 70 GLN HG3 . 18956 1 838 . 1 1 70 70 GLN C C 13 174.789 0.005 . 1 . 764 . . 70 GLN C . 18956 1 839 . 1 1 70 70 GLN CA C 13 55.807 0.016 . 1 . 765 . . 70 GLN CA . 18956 1 840 . 1 1 70 70 GLN CB C 13 29.671 0.035 . 1 . 766 . . 70 GLN CB . 18956 1 841 . 1 1 70 70 GLN CG C 13 33.779 0.028 . 1 . 767 . . 70 GLN CG . 18956 1 842 . 1 1 70 70 GLN N N 15 123.265 0.031 . 1 . 774 . . 70 GLN N . 18956 1 843 . 1 1 71 71 LYS H H 1 8.003 0.008 . 1 . 781 . . 71 LYS H . 18956 1 844 . 1 1 71 71 LYS HA H 1 4.145 0.004 . 1 . 782 . . 71 LYS HA . 18956 1 845 . 1 1 71 71 LYS HB2 H 1 1.706 0.003 . 2 . 783 . . 71 LYS HB2 . 18956 1 846 . 1 1 71 71 LYS HB3 H 1 1.814 0.008 . 2 . 784 . . 71 LYS HB3 . 18956 1 847 . 1 1 71 71 LYS HG2 H 1 1.391 0.004 . 1 . 789 . . 71 LYS HG2 . 18956 1 848 . 1 1 71 71 LYS HG3 H 1 1.391 0.004 . 1 . 790 . . 71 LYS HG3 . 18956 1 849 . 1 1 71 71 LYS HD2 H 1 1.667 0.004 . 1 . 785 . . 71 LYS HD2 . 18956 1 850 . 1 1 71 71 LYS HD3 H 1 1.667 0.004 . 1 . 786 . . 71 LYS HD3 . 18956 1 851 . 1 1 71 71 LYS HE2 H 1 2.981 0.002 . 1 . 787 . . 71 LYS HE2 . 18956 1 852 . 1 1 71 71 LYS HE3 H 1 2.981 0.002 . 1 . 788 . . 71 LYS HE3 . 18956 1 853 . 1 1 71 71 LYS C C 13 181.214 . . 1 . 775 . . 71 LYS C . 18956 1 854 . 1 1 71 71 LYS CA C 13 57.751 0.028 . 1 . 776 . . 71 LYS CA . 18956 1 855 . 1 1 71 71 LYS CB C 13 33.621 0.003 . 1 . 777 . . 71 LYS CB . 18956 1 856 . 1 1 71 71 LYS CG C 13 24.746 0.026 . 1 . 780 . . 71 LYS CG . 18956 1 857 . 1 1 71 71 LYS CD C 13 29.036 0.027 . 1 . 778 . . 71 LYS CD . 18956 1 858 . 1 1 71 71 LYS CE C 13 41.968 0.081 . 1 . 779 . . 71 LYS CE . 18956 1 859 . 1 1 71 71 LYS N N 15 128.125 0.048 . 1 . 791 . . 71 LYS N . 18956 1 stop_ save_