data_18955 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18955 _Entry.Title ; STRUCTURE OF NAB2P TANDEM ZINC FINGER 12 ; _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 . . . 18955 2 C. Santiveri . M. . 18955 3 Y. Mirassou . . . 18955 4 S. Zorrilla . . . 18955 5 'Jose Manuel' Perez-Canadillas . . . 18955 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' . 18955 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 . 18955 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'CCCH-TYPE ZINC FINGER' . 18955 'MRNA EXPORT' . 18955 'POL LENGHT CONTROL' . 18955 'POLYADENOSINE RNA BINDING.' . 18955 'POLY(A) LENGHT CONTROL' . 18955 'RNA BINDING PROTEIN' . 18955 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18955 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 313 18955 '15N chemical shifts' 74 18955 '1H chemical shifts' 494 18955 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' 18955 1 . . 2013-08-29 2013-01-16 original author 'original release' 18955 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18956 'Structure of NAB2P tandem Zinc finger 34' 18955 PDB 3ZJ1 'BMRB Entry Tracking System' 18955 PDB 3zj2 'Structure of NAB2P tandem Zinc finger 34' 18955 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18955 _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 . . . 18955 1 2 Clara Santiveri . M. . 18955 1 3 Yasmina Mirassou . . . 18955 1 4 Silvia Zorrilla . . . 18955 1 5 'Jose Manuel' Perez-Canadillas . . . 18955 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18955 _Assembly.ID 1 _Assembly.Name 'STRUCTURE OF NAB2P TANDEM ZINC FINGER 12' _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 9704.7608 _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 . . . 18955 1 2 'ZINC ION, 1' 2 $entity_ZN B . no native no no . . . 18955 1 3 'ZINC ION, 2' 2 $entity_ZN C . no native no no . . . 18955 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 18955 _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 ; GSFTPTKKEGRCRLFPHCPL GRSCPHAHPTKVCNEYPNCP KPPGTCEFLHPNEDEELMKE MERTREEFQKRKADLLAAKR KPV ; _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 83 _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 1 and 2' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9574.0008 _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" . . . . . . . . . . 18955 1 2 no PDB 3ZJ1 . "Structure Of Nab2p Tandem Zinc Finger 12" . . . . . 98.80 83 100.00 100.00 6.79e-51 . . . . 18955 1 3 no DBJ GAA23273 . "K7_Nab2p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 98.80 504 98.78 100.00 4.15e-49 . . . . 18955 1 4 no EMBL CAA96830 . "NAB2 [Saccharomyces cerevisiae]" . . . . . 98.80 525 98.78 100.00 6.00e-49 . . . . 18955 1 5 no EMBL CAY79645 . "Nab2p [Saccharomyces cerevisiae EC1118]" . . . . . 98.80 497 98.78 100.00 5.68e-49 . . . . 18955 1 6 no GB AAA34819 . "RNA-binding protein [Saccharomyces cerevisiae]" . . . . . 98.80 525 98.78 100.00 6.00e-49 . . . . 18955 1 7 no GB AAA34820 . "RNA-binding protein [Saccharomyces cerevisiae]" . . . . . 98.80 497 98.78 100.00 5.68e-49 . . . . 18955 1 8 no GB AAU09727 . "YGL122C [Saccharomyces cerevisiae]" . . . . . 98.80 525 98.78 100.00 6.00e-49 . . . . 18955 1 9 no GB AHY79261 . "Nab2p [Saccharomyces cerevisiae YJM993]" . . . . . 98.80 497 98.78 100.00 5.68e-49 . . . . 18955 1 10 no GB AJP38679 . "Nab2p [Saccharomyces cerevisiae YJM1078]" . . . . . 98.80 497 98.78 100.00 5.68e-49 . . . . 18955 1 11 no REF NP_011393 . "mRNA-binding protein NAB2 [Saccharomyces cerevisiae S288c]" . . . . . 98.80 525 98.78 100.00 6.00e-49 . . . . 18955 1 12 no SP P32505 . "RecName: Full=Nuclear polyadenylated RNA-binding protein NAB2" . . . . . 98.80 525 98.78 100.00 6.00e-49 . . . . 18955 1 13 no TPG DAA07987 . "TPA: mRNA-binding protein NAB2 [Saccharomyces cerevisiae S288c]" . . . . . 98.80 525 98.78 100.00 6.00e-49 . . . . 18955 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 . 18955 1 2 . SER . 18955 1 3 . PHE . 18955 1 4 . THR . 18955 1 5 . PRO . 18955 1 6 . THR . 18955 1 7 . LYS . 18955 1 8 . LYS . 18955 1 9 . GLU . 18955 1 10 . GLY . 18955 1 11 . ARG . 18955 1 12 . CYS . 18955 1 13 . ARG . 18955 1 14 . LEU . 18955 1 15 . PHE . 18955 1 16 . PRO . 18955 1 17 . HIS . 18955 1 18 . CYS . 18955 1 19 . PRO . 18955 1 20 . LEU . 18955 1 21 . GLY . 18955 1 22 . ARG . 18955 1 23 . SER . 18955 1 24 . CYS . 18955 1 25 . PRO . 18955 1 26 . HIS . 18955 1 27 . ALA . 18955 1 28 . HIS . 18955 1 29 . PRO . 18955 1 30 . THR . 18955 1 31 . LYS . 18955 1 32 . VAL . 18955 1 33 . CYS . 18955 1 34 . ASN . 18955 1 35 . GLU . 18955 1 36 . TYR . 18955 1 37 . PRO . 18955 1 38 . ASN . 18955 1 39 . CYS . 18955 1 40 . PRO . 18955 1 41 . LYS . 18955 1 42 . PRO . 18955 1 43 . PRO . 18955 1 44 . GLY . 18955 1 45 . THR . 18955 1 46 . CYS . 18955 1 47 . GLU . 18955 1 48 . PHE . 18955 1 49 . LEU . 18955 1 50 . HIS . 18955 1 51 . PRO . 18955 1 52 . ASN . 18955 1 53 . GLU . 18955 1 54 . ASP . 18955 1 55 . GLU . 18955 1 56 . GLU . 18955 1 57 . LEU . 18955 1 58 . MET . 18955 1 59 . LYS . 18955 1 60 . GLU . 18955 1 61 . MET . 18955 1 62 . GLU . 18955 1 63 . ARG . 18955 1 64 . THR . 18955 1 65 . ARG . 18955 1 66 . GLU . 18955 1 67 . GLU . 18955 1 68 . PHE . 18955 1 69 . GLN . 18955 1 70 . LYS . 18955 1 71 . ARG . 18955 1 72 . LYS . 18955 1 73 . ALA . 18955 1 74 . ASP . 18955 1 75 . LEU . 18955 1 76 . LEU . 18955 1 77 . ALA . 18955 1 78 . ALA . 18955 1 79 . LYS . 18955 1 80 . ARG . 18955 1 81 . LYS . 18955 1 82 . PRO . 18955 1 83 . VAL . 18955 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 18955 1 . SER 2 2 18955 1 . PHE 3 3 18955 1 . THR 4 4 18955 1 . PRO 5 5 18955 1 . THR 6 6 18955 1 . LYS 7 7 18955 1 . LYS 8 8 18955 1 . GLU 9 9 18955 1 . GLY 10 10 18955 1 . ARG 11 11 18955 1 . CYS 12 12 18955 1 . ARG 13 13 18955 1 . LEU 14 14 18955 1 . PHE 15 15 18955 1 . PRO 16 16 18955 1 . HIS 17 17 18955 1 . CYS 18 18 18955 1 . PRO 19 19 18955 1 . LEU 20 20 18955 1 . GLY 21 21 18955 1 . ARG 22 22 18955 1 . SER 23 23 18955 1 . CYS 24 24 18955 1 . PRO 25 25 18955 1 . HIS 26 26 18955 1 . ALA 27 27 18955 1 . HIS 28 28 18955 1 . PRO 29 29 18955 1 . THR 30 30 18955 1 . LYS 31 31 18955 1 . VAL 32 32 18955 1 . CYS 33 33 18955 1 . ASN 34 34 18955 1 . GLU 35 35 18955 1 . TYR 36 36 18955 1 . PRO 37 37 18955 1 . ASN 38 38 18955 1 . CYS 39 39 18955 1 . PRO 40 40 18955 1 . LYS 41 41 18955 1 . PRO 42 42 18955 1 . PRO 43 43 18955 1 . GLY 44 44 18955 1 . THR 45 45 18955 1 . CYS 46 46 18955 1 . GLU 47 47 18955 1 . PHE 48 48 18955 1 . LEU 49 49 18955 1 . HIS 50 50 18955 1 . PRO 51 51 18955 1 . ASN 52 52 18955 1 . GLU 53 53 18955 1 . ASP 54 54 18955 1 . GLU 55 55 18955 1 . GLU 56 56 18955 1 . LEU 57 57 18955 1 . MET 58 58 18955 1 . LYS 59 59 18955 1 . GLU 60 60 18955 1 . MET 61 61 18955 1 . GLU 62 62 18955 1 . ARG 63 63 18955 1 . THR 64 64 18955 1 . ARG 65 65 18955 1 . GLU 66 66 18955 1 . GLU 67 67 18955 1 . PHE 68 68 18955 1 . GLN 69 69 18955 1 . LYS 70 70 18955 1 . ARG 71 71 18955 1 . LYS 72 72 18955 1 . ALA 73 73 18955 1 . ASP 74 74 18955 1 . LEU 75 75 18955 1 . LEU 76 76 18955 1 . ALA 77 77 18955 1 . ALA 78 78 18955 1 . LYS 79 79 18955 1 . ARG 80 80 18955 1 . LYS 81 81 18955 1 . PRO 82 82 18955 1 . VAL 83 83 18955 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 18955 _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 18955 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 18955 2 ZN 'Three letter code' 18955 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 18955 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 18955 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 18955 _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 . . . . . . . . . . . . . . . . . . . . . 18955 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 18955 _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) . . . . . . . . . . . . n/a . . pET28 . . . . . . 18955 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 18955 _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 18955 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 18955 ZN [Zn++] SMILES CACTVS 3.341 18955 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 18955 ZN [Zn+2] SMILES ACDLabs 10.04 18955 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 18955 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 18955 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 18955 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 18955 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 . 18955 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18955 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.300 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 . . 0.300 . . mM . . . . 18955 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18955 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.300 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 . . 0.300 . . mM . . . . 18955 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 18955 _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 18955 1 pH 6.500 . pH 18955 1 pressure 1.000 . atm 18955 1 temperature 298.000 . K 18955 1 stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 18955 _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' . . 18955 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18955 1 stop_ save_ save_ANALYSIS _Software.Sf_category software _Software.Sf_framecode ANALYSIS _Software.Entry_ID 18955 _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 . . 18955 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18955 2 stop_ save_ save_AutoDep _Software.Sf_category software _Software.Sf_framecode AutoDep _Software.Entry_ID 18955 _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 . . 18955 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18955 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18955 _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' . . 18955 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18955 4 stop_ save_ save_NMRPIPE _Software.Sf_category software _Software.Sf_framecode NMRPIPE _Software.Entry_ID 18955 _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' . . 18955 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift calculation' 18955 5 stop_ save_ save_method_CYANA _Method.Sf_category method _Method.Sf_framecode method_CYANA _Method.Entry_ID 18955 _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 18955 _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 18955 _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_DMX-800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_DMX-800 _NMR_spectrometer.Entry_ID 18955 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _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 18955 _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 . . . 18955 1 2 Bruker_DMX-800 Bruker DMX . 800 . . . 18955 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 18955 _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 . . . . . . . . . . . . . . . . 18955 1 2 '1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-600 . . . . . . . . . . . . . . . . 18955 1 3 HNCO no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-600 . . . . . . . . . . . . . . . . 18955 1 4 HNCA no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-600 . . . . . . . . . . . . . . . . 18955 1 5 CBCA(CO)HN no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-600 . . . . . . . . . . . . . . . . 18955 1 6 H(C)CH-TOCSY no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-600 . . . . . . . . . . . . . . . . 18955 1 7 '15N HSQC-NOESY' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-600 . . . . . . . . . . . . . . . . 18955 1 8 'NOESY and TOCSY' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-600 . . . . . . . . . . . . . . . . 18955 1 9 NOESY no . . . . . . . . . . 2 $sample_2 solution . . 1 $sample_conditions_1 . . . 2 $Bruker_DMX-800 . . . . . . . . . . . . . . . . 18955 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 18955 _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 . . . . . . . . . 18955 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 18955 _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/3zj1/ebi/Nab2_Z12_CS_curated4_1.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 18955 1 2 '1H-13C HSQC' 1 $sample_1 solution 18955 1 3 HNCO 1 $sample_1 solution 18955 1 4 HNCA 1 $sample_1 solution 18955 1 5 CBCA(CO)HN 1 $sample_1 solution 18955 1 6 H(C)CH-TOCSY 1 $sample_1 solution 18955 1 7 '15N HSQC-NOESY' 1 $sample_1 solution 18955 1 8 'NOESY and TOCSY' 1 $sample_1 solution 18955 1 9 NOESY 2 $sample_2 solution 18955 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 HA2 H 1 3.847 . . 1 . 2 . . 1 GLY HA2 . 18955 1 2 . 1 1 1 1 GLY CA C 13 43.348 . . 1 . 1 . . 1 GLY CA . 18955 1 3 . 1 1 2 2 SER HA H 1 4.491 . . 1 . 6 . . 2 SER HA . 18955 1 4 . 1 1 2 2 SER HB2 H 1 3.797 . . 1 . 7 . . 2 SER HB2 . 18955 1 5 . 1 1 2 2 SER C C 13 174.173 . . 1 . 3 . . 2 SER C . 18955 1 6 . 1 1 2 2 SER CA C 13 58.166 0.039 . 1 . 4 . . 2 SER CA . 18955 1 7 . 1 1 2 2 SER CB C 13 63.921 0.009 . 1 . 5 . . 2 SER CB . 18955 1 8 . 1 1 3 3 PHE H H 1 8.437 0.005 . 1 . 11 . . 3 PHE H . 18955 1 9 . 1 1 3 3 PHE HA H 1 4.727 . . 1 . 12 . . 3 PHE HA . 18955 1 10 . 1 1 3 3 PHE HB2 H 1 3.090 0.003 . 1 . 13 . . 3 PHE HB2 . 18955 1 11 . 1 1 3 3 PHE C C 13 175.529 . . 1 . 8 . . 3 PHE C . 18955 1 12 . 1 1 3 3 PHE CA C 13 57.598 0.012 . 1 . 9 . . 3 PHE CA . 18955 1 13 . 1 1 3 3 PHE CB C 13 39.749 0.032 . 1 . 10 . . 3 PHE CB . 18955 1 14 . 1 1 3 3 PHE N N 15 121.587 0.019 . 1 . 14 . . 3 PHE N . 18955 1 15 . 1 1 4 4 THR H H 1 8.150 0.005 . 1 . 18 . . 4 THR H . 18955 1 16 . 1 1 4 4 THR HA H 1 4.541 0.003 . 1 . 19 . . 4 THR HA . 18955 1 17 . 1 1 4 4 THR HB H 1 4.032 . . 1 . 20 . . 4 THR HB . 18955 1 18 . 1 1 4 4 THR HG21 H 1 1.192 0.004 . 1 . 21 . . 4 THR HG21 . 18955 1 19 . 1 1 4 4 THR HG22 H 1 1.192 0.004 . 1 . 21 . . 4 THR HG22 . 18955 1 20 . 1 1 4 4 THR HG23 H 1 1.192 0.004 . 1 . 21 . . 4 THR HG23 . 18955 1 21 . 1 1 4 4 THR CA C 13 59.209 0.023 . 1 . 15 . . 4 THR CA . 18955 1 22 . 1 1 4 4 THR CB C 13 69.885 . . 1 . 16 . . 4 THR CB . 18955 1 23 . 1 1 4 4 THR CG2 C 13 21.211 . . 1 . 17 . . 4 THR CG2 . 18955 1 24 . 1 1 4 4 THR N N 15 119.566 0.017 . 1 . 22 . . 4 THR N . 18955 1 25 . 1 1 5 5 PRO HA H 1 4.429 0.003 . 1 . 27 . . 5 PRO HA . 18955 1 26 . 1 1 5 5 PRO HB2 H 1 2.341 0.004 . 2 . 28 . . 5 PRO HB2 . 18955 1 27 . 1 1 5 5 PRO HB3 H 1 1.940 0.005 . 2 . 29 . . 5 PRO HB3 . 18955 1 28 . 1 1 5 5 PRO HG2 H 1 2.016 0.003 . 1 . 31 . . 5 PRO HG2 . 18955 1 29 . 1 1 5 5 PRO HD2 H 1 3.691 0.003 . 1 . 30 . . 5 PRO HD2 . 18955 1 30 . 1 1 5 5 PRO C C 13 177.112 . . 1 . 23 . . 5 PRO C . 18955 1 31 . 1 1 5 5 PRO CA C 13 62.985 . . 1 . 24 . . 5 PRO CA . 18955 1 32 . 1 1 5 5 PRO CB C 13 32.069 . . 1 . 25 . . 5 PRO CB . 18955 1 33 . 1 1 5 5 PRO CD C 13 51.003 . . 1 . 26 . . 5 PRO CD . 18955 1 34 . 1 1 6 6 THR H H 1 8.269 0.005 . 1 . 36 . . 6 THR H . 18955 1 35 . 1 1 6 6 THR HA H 1 4.245 0.003 . 1 . 37 . . 6 THR HA . 18955 1 36 . 1 1 6 6 THR HB H 1 4.158 0.004 . 1 . 38 . . 6 THR HB . 18955 1 37 . 1 1 6 6 THR HG21 H 1 1.221 0.002 . 1 . 39 . . 6 THR HG21 . 18955 1 38 . 1 1 6 6 THR HG22 H 1 1.221 0.002 . 1 . 39 . . 6 THR HG22 . 18955 1 39 . 1 1 6 6 THR HG23 H 1 1.221 0.002 . 1 . 39 . . 6 THR HG23 . 18955 1 40 . 1 1 6 6 THR C C 13 174.573 . . 1 . 32 . . 6 THR C . 18955 1 41 . 1 1 6 6 THR CA C 13 61.986 0.029 . 1 . 33 . . 6 THR CA . 18955 1 42 . 1 1 6 6 THR CB C 13 69.778 0.064 . 1 . 34 . . 6 THR CB . 18955 1 43 . 1 1 6 6 THR CG2 C 13 21.772 . . 1 . 35 . . 6 THR CG2 . 18955 1 44 . 1 1 6 6 THR N N 15 114.314 . . 1 . 40 . . 6 THR N . 18955 1 45 . 1 1 7 7 LYS H H 1 8.295 0.004 . 1 . 46 . . 7 LYS H . 18955 1 46 . 1 1 7 7 LYS HA H 1 4.353 0.002 . 1 . 47 . . 7 LYS HA . 18955 1 47 . 1 1 7 7 LYS HB2 H 1 1.805 0.003 . 2 . 48 . . 7 LYS HB2 . 18955 1 48 . 1 1 7 7 LYS HB3 H 1 1.748 0.002 . 2 . 49 . . 7 LYS HB3 . 18955 1 49 . 1 1 7 7 LYS HG2 H 1 1.384 0.002 . 1 . 52 . . 7 LYS HG2 . 18955 1 50 . 1 1 7 7 LYS HD2 H 1 1.659 0.001 . 1 . 50 . . 7 LYS HD2 . 18955 1 51 . 1 1 7 7 LYS HE2 H 1 2.970 0.001 . 1 . 51 . . 7 LYS HE2 . 18955 1 52 . 1 1 7 7 LYS C C 13 176.327 . . 1 . 41 . . 7 LYS C . 18955 1 53 . 1 1 7 7 LYS CA C 13 56.089 0.019 . 1 . 42 . . 7 LYS CA . 18955 1 54 . 1 1 7 7 LYS CB C 13 33.190 0.006 . 1 . 43 . . 7 LYS CB . 18955 1 55 . 1 1 7 7 LYS CG C 13 24.687 0.002 . 1 . 45 . . 7 LYS CG . 18955 1 56 . 1 1 7 7 LYS CE C 13 41.880 . . 1 . 44 . . 7 LYS CE . 18955 1 57 . 1 1 7 7 LYS N N 15 123.364 0.02 . 1 . 53 . . 7 LYS N . 18955 1 58 . 1 1 8 8 LYS H H 1 8.427 0.004 . 1 . 60 . . 8 LYS H . 18955 1 59 . 1 1 8 8 LYS HA H 1 4.364 0.003 . 1 . 61 . . 8 LYS HA . 18955 1 60 . 1 1 8 8 LYS HB2 H 1 1.563 0.004 . 2 . 62 . . 8 LYS HB2 . 18955 1 61 . 1 1 8 8 LYS HB3 H 1 1.487 . . 2 . 63 . . 8 LYS HB3 . 18955 1 62 . 1 1 8 8 LYS HG2 H 1 1.314 0.01 . 1 . 67 . . 8 LYS HG2 . 18955 1 63 . 1 1 8 8 LYS HD2 H 1 1.510 . . 2 . 64 . . 8 LYS HD2 . 18955 1 64 . 1 1 8 8 LYS HD3 H 1 1.453 . . 2 . 65 . . 8 LYS HD3 . 18955 1 65 . 1 1 8 8 LYS HE2 H 1 2.914 0.002 . 1 . 66 . . 8 LYS HE2 . 18955 1 66 . 1 1 8 8 LYS C C 13 176.079 . . 1 . 54 . . 8 LYS C . 18955 1 67 . 1 1 8 8 LYS CA C 13 55.363 0.006 . 1 . 55 . . 8 LYS CA . 18955 1 68 . 1 1 8 8 LYS CB C 13 33.215 0.06 . 1 . 56 . . 8 LYS CB . 18955 1 69 . 1 1 8 8 LYS CG C 13 24.725 0.033 . 1 . 59 . . 8 LYS CG . 18955 1 70 . 1 1 8 8 LYS CD C 13 28.662 0.001 . 1 . 57 . . 8 LYS CD . 18955 1 71 . 1 1 8 8 LYS CE C 13 42.133 . . 1 . 58 . . 8 LYS CE . 18955 1 72 . 1 1 8 8 LYS N N 15 122.728 0.036 . 1 . 68 . . 8 LYS N . 18955 1 73 . 1 1 9 9 GLU H H 1 8.365 0.007 . 1 . 72 . . 9 GLU H . 18955 1 74 . 1 1 9 9 GLU HA H 1 4.456 0.004 . 1 . 73 . . 9 GLU HA . 18955 1 75 . 1 1 9 9 GLU HB2 H 1 2.058 0.006 . 2 . 74 . . 9 GLU HB2 . 18955 1 76 . 1 1 9 9 GLU HB3 H 1 1.918 0.003 . 2 . 75 . . 9 GLU HB3 . 18955 1 77 . 1 1 9 9 GLU HG2 H 1 2.237 0.003 . 1 . 76 . . 9 GLU HG2 . 18955 1 78 . 1 1 9 9 GLU C C 13 177.012 . . 1 . 69 . . 9 GLU C . 18955 1 79 . 1 1 9 9 GLU CA C 13 56.203 0.06 . 1 . 70 . . 9 GLU CA . 18955 1 80 . 1 1 9 9 GLU CB C 13 31.074 . . 1 . 71 . . 9 GLU CB . 18955 1 81 . 1 1 9 9 GLU N N 15 120.955 0.015 . 1 . 77 . . 9 GLU N . 18955 1 82 . 1 1 10 10 GLY H H 1 9.009 0.001 . 1 . 80 . . 10 GLY H . 18955 1 83 . 1 1 10 10 GLY HA2 H 1 4.271 0.005 . 2 . 81 . . 10 GLY HA2 . 18955 1 84 . 1 1 10 10 GLY HA3 H 1 3.901 0.004 . 2 . 82 . . 10 GLY HA3 . 18955 1 85 . 1 1 10 10 GLY C C 13 173.377 . . 1 . 78 . . 10 GLY C . 18955 1 86 . 1 1 10 10 GLY CA C 13 44.288 0.032 . 1 . 79 . . 10 GLY CA . 18955 1 87 . 1 1 10 10 GLY N N 15 110.821 0.02 . 1 . 83 . . 10 GLY N . 18955 1 88 . 1 1 11 11 ARG H H 1 8.171 0.004 . 1 . 89 . . 11 ARG H . 18955 1 89 . 1 1 11 11 ARG HA H 1 4.089 0.007 . 1 . 90 . . 11 ARG HA . 18955 1 90 . 1 1 11 11 ARG HB2 H 1 1.576 0.003 . 1 . 91 . . 11 ARG HB2 . 18955 1 91 . 1 1 11 11 ARG HG2 H 1 1.147 0.006 . 2 . 94 . . 11 ARG HG2 . 18955 1 92 . 1 1 11 11 ARG HG3 H 1 1.185 0.005 . 2 . 95 . . 11 ARG HG3 . 18955 1 93 . 1 1 11 11 ARG HD2 H 1 2.918 0.005 . 1 . 92 . . 11 ARG HD2 . 18955 1 94 . 1 1 11 11 ARG HE H 1 7.850 0.003 . 1 . 93 . . 11 ARG HE . 18955 1 95 . 1 1 11 11 ARG C C 13 175.994 . . 1 . 84 . . 11 ARG C . 18955 1 96 . 1 1 11 11 ARG CA C 13 56.492 0.051 . 1 . 85 . . 11 ARG CA . 18955 1 97 . 1 1 11 11 ARG CB C 13 31.450 0.027 . 1 . 86 . . 11 ARG CB . 18955 1 98 . 1 1 11 11 ARG CG C 13 26.290 0.031 . 1 . 88 . . 11 ARG CG . 18955 1 99 . 1 1 11 11 ARG CD C 13 43.796 0.015 . 1 . 87 . . 11 ARG CD . 18955 1 100 . 1 1 11 11 ARG N N 15 120.043 0.009 . 1 . 96 . . 11 ARG N . 18955 1 101 . 1 1 11 11 ARG NE N 15 81.039 . . 1 . 97 . . 11 ARG NE . 18955 1 102 . 1 1 12 12 CYS H H 1 9.030 0.003 . 1 . 101 . . 12 CYS H . 18955 1 103 . 1 1 12 12 CYS HA H 1 3.889 0.005 . 1 . 102 . . 12 CYS HA . 18955 1 104 . 1 1 12 12 CYS HB2 H 1 3.097 0.002 . 2 . 103 . . 12 CYS HB2 . 18955 1 105 . 1 1 12 12 CYS HB3 H 1 3.020 0.004 . 2 . 104 . . 12 CYS HB3 . 18955 1 106 . 1 1 12 12 CYS C C 13 176.193 . . 1 . 98 . . 12 CYS C . 18955 1 107 . 1 1 12 12 CYS CA C 13 60.402 0.032 . 1 . 99 . . 12 CYS CA . 18955 1 108 . 1 1 12 12 CYS CB C 13 31.506 0.022 . 1 . 100 . . 12 CYS CB . 18955 1 109 . 1 1 12 12 CYS N N 15 128.088 0.013 . 1 . 105 . . 12 CYS N . 18955 1 110 . 1 1 13 13 ARG H H 1 9.019 0.005 . 1 . 111 . . 13 ARG H . 18955 1 111 . 1 1 13 13 ARG HA H 1 4.280 0.005 . 1 . 112 . . 13 ARG HA . 18955 1 112 . 1 1 13 13 ARG HB2 H 1 1.975 0.006 . 2 . 113 . . 13 ARG HB2 . 18955 1 113 . 1 1 13 13 ARG HB3 H 1 1.833 0.002 . 2 . 114 . . 13 ARG HB3 . 18955 1 114 . 1 1 13 13 ARG HG2 H 1 1.726 0.004 . 1 . 116 . . 13 ARG HG2 . 18955 1 115 . 1 1 13 13 ARG HD2 H 1 3.209 0.003 . 1 . 115 . . 13 ARG HD2 . 18955 1 116 . 1 1 13 13 ARG C C 13 176.724 . . 1 . 106 . . 13 ARG C . 18955 1 117 . 1 1 13 13 ARG CA C 13 57.365 0.037 . 1 . 107 . . 13 ARG CA . 18955 1 118 . 1 1 13 13 ARG CB C 13 30.000 0.004 . 1 . 108 . . 13 ARG CB . 18955 1 119 . 1 1 13 13 ARG CG C 13 27.215 0.005 . 1 . 110 . . 13 ARG CG . 18955 1 120 . 1 1 13 13 ARG CD C 13 42.861 0.008 . 1 . 109 . . 13 ARG CD . 18955 1 121 . 1 1 13 13 ARG N N 15 127.594 0.048 . 1 . 117 . . 13 ARG N . 18955 1 122 . 1 1 14 14 LEU H H 1 8.428 0.002 . 1 . 124 . . 14 LEU H . 18955 1 123 . 1 1 14 14 LEU HA H 1 4.403 0.002 . 1 . 125 . . 14 LEU HA . 18955 1 124 . 1 1 14 14 LEU HB2 H 1 1.748 0.003 . 2 . 126 . . 14 LEU HB2 . 18955 1 125 . 1 1 14 14 LEU HB3 H 1 1.567 0.006 . 2 . 127 . . 14 LEU HB3 . 18955 1 126 . 1 1 14 14 LEU HG H 1 1.744 0.001 . 1 . 130 . . 14 LEU HG . 18955 1 127 . 1 1 14 14 LEU HD11 H 1 1.078 0.004 . 2 . 128 . . 14 LEU HD11 . 18955 1 128 . 1 1 14 14 LEU HD12 H 1 1.078 0.004 . 2 . 128 . . 14 LEU HD12 . 18955 1 129 . 1 1 14 14 LEU HD13 H 1 1.078 0.004 . 2 . 128 . . 14 LEU HD13 . 18955 1 130 . 1 1 14 14 LEU HD21 H 1 0.925 0.005 . 2 . 129 . . 14 LEU HD21 . 18955 1 131 . 1 1 14 14 LEU HD22 H 1 0.925 0.005 . 2 . 129 . . 14 LEU HD22 . 18955 1 132 . 1 1 14 14 LEU HD23 H 1 0.925 0.005 . 2 . 129 . . 14 LEU HD23 . 18955 1 133 . 1 1 14 14 LEU C C 13 178.220 . . 1 . 118 . . 14 LEU C . 18955 1 134 . 1 1 14 14 LEU CA C 13 55.353 0.015 . 1 . 119 . . 14 LEU CA . 18955 1 135 . 1 1 14 14 LEU CB C 13 42.811 0.014 . 1 . 120 . . 14 LEU CB . 18955 1 136 . 1 1 14 14 LEU CG C 13 27.622 . . 1 . 123 . . 14 LEU CG . 18955 1 137 . 1 1 14 14 LEU CD1 C 13 25.473 0.013 . 2 . 121 . . 14 LEU CD1 . 18955 1 138 . 1 1 14 14 LEU CD2 C 13 22.765 0.008 . 2 . 122 . . 14 LEU CD2 . 18955 1 139 . 1 1 14 14 LEU N N 15 119.390 0.014 . 1 . 131 . . 14 LEU N . 18955 1 140 . 1 1 15 15 PHE H H 1 8.078 0.004 . 1 . 134 . . 15 PHE H . 18955 1 141 . 1 1 15 15 PHE HA H 1 3.883 0.004 . 1 . 135 . . 15 PHE HA . 18955 1 142 . 1 1 15 15 PHE HB2 H 1 2.834 0.003 . 2 . 136 . . 15 PHE HB2 . 18955 1 143 . 1 1 15 15 PHE HB3 H 1 2.763 0.002 . 2 . 137 . . 15 PHE HB3 . 18955 1 144 . 1 1 15 15 PHE HD1 H 1 6.669 0.003 . 3 . 138 . . 15 PHE HD1 . 18955 1 145 . 1 1 15 15 PHE HD2 H 1 6.669 0.003 . 3 . 139 . . 15 PHE HD2 . 18955 1 146 . 1 1 15 15 PHE HE1 H 1 7.377 0.002 . 3 . 140 . . 15 PHE HE1 . 18955 1 147 . 1 1 15 15 PHE HE2 H 1 7.377 0.002 . 3 . 141 . . 15 PHE HE2 . 18955 1 148 . 1 1 15 15 PHE HZ H 1 7.279 0.005 . 1 . 142 . . 15 PHE HZ . 18955 1 149 . 1 1 15 15 PHE CA C 13 57.141 0.02 . 1 . 132 . . 15 PHE CA . 18955 1 150 . 1 1 15 15 PHE CB C 13 39.416 0.02 . 1 . 133 . . 15 PHE CB . 18955 1 151 . 1 1 15 15 PHE N N 15 125.096 0.027 . 1 . 143 . . 15 PHE N . 18955 1 152 . 1 1 16 16 PRO HA H 1 3.262 0.006 . 1 . 149 . . 16 PRO HA . 18955 1 153 . 1 1 16 16 PRO HB2 H 1 1.719 0.005 . 2 . 150 . . 16 PRO HB2 . 18955 1 154 . 1 1 16 16 PRO HB3 H 1 0.495 0.005 . 2 . 151 . . 16 PRO HB3 . 18955 1 155 . 1 1 16 16 PRO HG2 H 1 1.146 0.008 . 2 . 153 . . 16 PRO HG2 . 18955 1 156 . 1 1 16 16 PRO HG3 H 1 0.715 0.008 . 2 . 154 . . 16 PRO HG3 . 18955 1 157 . 1 1 16 16 PRO HD2 H 1 3.112 0.008 . 1 . 152 . . 16 PRO HD2 . 18955 1 158 . 1 1 16 16 PRO C C 13 174.011 . . 1 . 144 . . 16 PRO C . 18955 1 159 . 1 1 16 16 PRO CA C 13 63.189 0.015 . 1 . 145 . . 16 PRO CA . 18955 1 160 . 1 1 16 16 PRO CB C 13 31.726 0.038 . 1 . 146 . . 16 PRO CB . 18955 1 161 . 1 1 16 16 PRO CG C 13 24.027 0.036 . 1 . 148 . . 16 PRO CG . 18955 1 162 . 1 1 16 16 PRO CD C 13 48.783 0.016 . 1 . 147 . . 16 PRO CD . 18955 1 163 . 1 1 17 17 HIS H H 1 8.847 0.004 . 1 . 158 . . 17 HIS H . 18955 1 164 . 1 1 17 17 HIS HA H 1 4.808 0.006 . 1 . 159 . . 17 HIS HA . 18955 1 165 . 1 1 17 17 HIS HB2 H 1 2.951 0.012 . 2 . 160 . . 17 HIS HB2 . 18955 1 166 . 1 1 17 17 HIS HB3 H 1 3.229 0.004 . 2 . 161 . . 17 HIS HB3 . 18955 1 167 . 1 1 17 17 HIS HD2 H 1 7.131 0.003 . 1 . 162 . . 17 HIS HD2 . 18955 1 168 . 1 1 17 17 HIS HE1 H 1 8.239 0.003 . 1 . 163 . . 17 HIS HE1 . 18955 1 169 . 1 1 17 17 HIS C C 13 173.586 . . 1 . 155 . . 17 HIS C . 18955 1 170 . 1 1 17 17 HIS CA C 13 53.579 0.016 . 1 . 156 . . 17 HIS CA . 18955 1 171 . 1 1 17 17 HIS CB C 13 28.132 0.054 . 1 . 157 . . 17 HIS CB . 18955 1 172 . 1 1 17 17 HIS N N 15 126.294 0.017 . 1 . 164 . . 17 HIS N . 18955 1 173 . 1 1 18 18 CYS H H 1 7.655 0.004 . 1 . 167 . . 18 CYS H . 18955 1 174 . 1 1 18 18 CYS HA H 1 4.710 0.005 . 1 . 168 . . 18 CYS HA . 18955 1 175 . 1 1 18 18 CYS HB2 H 1 2.628 0.006 . 2 . 169 . . 18 CYS HB2 . 18955 1 176 . 1 1 18 18 CYS HB3 H 1 2.984 0.003 . 2 . 170 . . 18 CYS HB3 . 18955 1 177 . 1 1 18 18 CYS CA C 13 55.928 0.019 . 1 . 165 . . 18 CYS CA . 18955 1 178 . 1 1 18 18 CYS CB C 13 30.948 0.001 . 1 . 166 . . 18 CYS CB . 18955 1 179 . 1 1 18 18 CYS N N 15 121.716 0.043 . 1 . 171 . . 18 CYS N . 18955 1 180 . 1 1 19 19 PRO HA H 1 4.642 0.018 . 1 . 177 . . 19 PRO HA . 18955 1 181 . 1 1 19 19 PRO HB2 H 1 2.357 0.006 . 2 . 178 . . 19 PRO HB2 . 18955 1 182 . 1 1 19 19 PRO HB3 H 1 2.117 0.001 . 2 . 179 . . 19 PRO HB3 . 18955 1 183 . 1 1 19 19 PRO HG2 H 1 2.147 0.002 . 2 . 182 . . 19 PRO HG2 . 18955 1 184 . 1 1 19 19 PRO HG3 H 1 1.986 . . 2 . 183 . . 19 PRO HG3 . 18955 1 185 . 1 1 19 19 PRO HD2 H 1 4.186 0.003 . 2 . 180 . . 19 PRO HD2 . 18955 1 186 . 1 1 19 19 PRO HD3 H 1 4.092 0.003 . 2 . 181 . . 19 PRO HD3 . 18955 1 187 . 1 1 19 19 PRO C C 13 177.544 . . 1 . 172 . . 19 PRO C . 18955 1 188 . 1 1 19 19 PRO CA C 13 64.028 0.032 . 1 . 173 . . 19 PRO CA . 18955 1 189 . 1 1 19 19 PRO CB C 13 32.341 0.003 . 1 . 174 . . 19 PRO CB . 18955 1 190 . 1 1 19 19 PRO CG C 13 26.571 0.011 . 1 . 176 . . 19 PRO CG . 18955 1 191 . 1 1 19 19 PRO CD C 13 51.761 0.005 . 1 . 175 . . 19 PRO CD . 18955 1 192 . 1 1 20 20 LEU H H 1 8.414 0.003 . 1 . 190 . . 20 LEU H . 18955 1 193 . 1 1 20 20 LEU HA H 1 4.336 0.002 . 1 . 191 . . 20 LEU HA . 18955 1 194 . 1 1 20 20 LEU HB2 H 1 1.272 0.007 . 2 . 192 . . 20 LEU HB2 . 18955 1 195 . 1 1 20 20 LEU HB3 H 1 1.799 0.004 . 2 . 193 . . 20 LEU HB3 . 18955 1 196 . 1 1 20 20 LEU HG H 1 1.707 0.002 . 1 . 196 . . 20 LEU HG . 18955 1 197 . 1 1 20 20 LEU HD11 H 1 1.068 0.004 . 2 . 194 . . 20 LEU HD11 . 18955 1 198 . 1 1 20 20 LEU HD12 H 1 1.068 0.004 . 2 . 194 . . 20 LEU HD12 . 18955 1 199 . 1 1 20 20 LEU HD13 H 1 1.068 0.004 . 2 . 194 . . 20 LEU HD13 . 18955 1 200 . 1 1 20 20 LEU HD21 H 1 0.860 0.004 . 2 . 195 . . 20 LEU HD21 . 18955 1 201 . 1 1 20 20 LEU HD22 H 1 0.860 0.004 . 2 . 195 . . 20 LEU HD22 . 18955 1 202 . 1 1 20 20 LEU HD23 H 1 0.860 0.004 . 2 . 195 . . 20 LEU HD23 . 18955 1 203 . 1 1 20 20 LEU C C 13 179.078 . . 1 . 184 . . 20 LEU C . 18955 1 204 . 1 1 20 20 LEU CA C 13 55.946 0.007 . 1 . 185 . . 20 LEU CA . 18955 1 205 . 1 1 20 20 LEU CB C 13 42.184 0.031 . 1 . 186 . . 20 LEU CB . 18955 1 206 . 1 1 20 20 LEU CG C 13 27.572 . . 1 . 189 . . 20 LEU CG . 18955 1 207 . 1 1 20 20 LEU CD1 C 13 26.195 0.048 . 2 . 187 . . 20 LEU CD1 . 18955 1 208 . 1 1 20 20 LEU CD2 C 13 22.360 . . 2 . 188 . . 20 LEU CD2 . 18955 1 209 . 1 1 20 20 LEU N N 15 119.509 0.023 . 1 . 197 . . 20 LEU N . 18955 1 210 . 1 1 21 21 GLY H H 1 7.733 0.004 . 1 . 200 . . 21 GLY H . 18955 1 211 . 1 1 21 21 GLY HA2 H 1 4.025 0.005 . 1 . 201 . . 21 GLY HA2 . 18955 1 212 . 1 1 21 21 GLY C C 13 175.934 . . 1 . 198 . . 21 GLY C . 18955 1 213 . 1 1 21 21 GLY CA C 13 47.068 0.027 . 1 . 199 . . 21 GLY CA . 18955 1 214 . 1 1 21 21 GLY N N 15 107.914 0.018 . 1 . 202 . . 21 GLY N . 18955 1 215 . 1 1 22 22 ARG H H 1 8.972 0.004 . 1 . 206 . . 22 ARG H . 18955 1 216 . 1 1 22 22 ARG C C 13 177.221 . . 1 . 203 . . 22 ARG C . 18955 1 217 . 1 1 22 22 ARG CA C 13 57.753 0.037 . 1 . 204 . . 22 ARG CA . 18955 1 218 . 1 1 22 22 ARG CB C 13 29.630 . . 1 . 205 . . 22 ARG CB . 18955 1 219 . 1 1 22 22 ARG N N 15 123.916 0.019 . 1 . 207 . . 22 ARG N . 18955 1 220 . 1 1 23 23 SER H H 1 7.984 0.004 . 1 . 211 . . 23 SER H . 18955 1 221 . 1 1 23 23 SER HA H 1 4.459 0.002 . 1 . 212 . . 23 SER HA . 18955 1 222 . 1 1 23 23 SER HB2 H 1 3.992 0.004 . 2 . 213 . . 23 SER HB2 . 18955 1 223 . 1 1 23 23 SER HB3 H 1 3.938 0.006 . 2 . 214 . . 23 SER HB3 . 18955 1 224 . 1 1 23 23 SER C C 13 173.331 . . 1 . 208 . . 23 SER C . 18955 1 225 . 1 1 23 23 SER CA C 13 58.329 0.005 . 1 . 209 . . 23 SER CA . 18955 1 226 . 1 1 23 23 SER CB C 13 63.286 0.006 . 1 . 210 . . 23 SER CB . 18955 1 227 . 1 1 23 23 SER N N 15 112.560 . . 1 . 215 . . 23 SER N . 18955 1 228 . 1 1 24 24 CYS H H 1 7.442 0.003 . 1 . 218 . . 24 CYS H . 18955 1 229 . 1 1 24 24 CYS HA H 1 4.188 0.002 . 1 . 219 . . 24 CYS HA . 18955 1 230 . 1 1 24 24 CYS HB2 H 1 2.565 0.004 . 2 . 220 . . 24 CYS HB2 . 18955 1 231 . 1 1 24 24 CYS HB3 H 1 2.897 0.003 . 2 . 221 . . 24 CYS HB3 . 18955 1 232 . 1 1 24 24 CYS CA C 13 58.027 0.012 . 1 . 216 . . 24 CYS CA . 18955 1 233 . 1 1 24 24 CYS CB C 13 30.965 0.017 . 1 . 217 . . 24 CYS CB . 18955 1 234 . 1 1 24 24 CYS N N 15 126.167 0.018 . 1 . 222 . . 24 CYS N . 18955 1 235 . 1 1 25 25 PRO HA H 1 4.413 0.005 . 1 . 228 . . 25 PRO HA . 18955 1 236 . 1 1 25 25 PRO HB2 H 1 2.098 0.005 . 2 . 229 . . 25 PRO HB2 . 18955 1 237 . 1 1 25 25 PRO HB3 H 1 1.524 0.004 . 2 . 230 . . 25 PRO HB3 . 18955 1 238 . 1 1 25 25 PRO HG2 H 1 1.881 0.004 . 2 . 233 . . 25 PRO HG2 . 18955 1 239 . 1 1 25 25 PRO HG3 H 1 1.421 0.003 . 2 . 234 . . 25 PRO HG3 . 18955 1 240 . 1 1 25 25 PRO HD2 H 1 3.689 0.004 . 2 . 231 . . 25 PRO HD2 . 18955 1 241 . 1 1 25 25 PRO HD3 H 1 4.285 0.003 . 2 . 232 . . 25 PRO HD3 . 18955 1 242 . 1 1 25 25 PRO C C 13 176.167 . . 1 . 223 . . 25 PRO C . 18955 1 243 . 1 1 25 25 PRO CA C 13 63.544 0.011 . 1 . 224 . . 25 PRO CA . 18955 1 244 . 1 1 25 25 PRO CB C 13 31.914 0.005 . 1 . 225 . . 25 PRO CB . 18955 1 245 . 1 1 25 25 PRO CG C 13 26.156 0.011 . 1 . 227 . . 25 PRO CG . 18955 1 246 . 1 1 25 25 PRO CD C 13 51.533 0.021 . 1 . 226 . . 25 PRO CD . 18955 1 247 . 1 1 26 26 HIS H H 1 8.611 0.004 . 1 . 238 . . 26 HIS H . 18955 1 248 . 1 1 26 26 HIS HA H 1 4.845 0.007 . 1 . 239 . . 26 HIS HA . 18955 1 249 . 1 1 26 26 HIS HB2 H 1 3.154 0.004 . 2 . 240 . . 26 HIS HB2 . 18955 1 250 . 1 1 26 26 HIS HB3 H 1 3.001 0.004 . 2 . 241 . . 26 HIS HB3 . 18955 1 251 . 1 1 26 26 HIS HD2 H 1 7.231 0.002 . 1 . 242 . . 26 HIS HD2 . 18955 1 252 . 1 1 26 26 HIS HE1 H 1 8.092 0.002 . 1 . 243 . . 26 HIS HE1 . 18955 1 253 . 1 1 26 26 HIS C C 13 173.053 . . 1 . 235 . . 26 HIS C . 18955 1 254 . 1 1 26 26 HIS CA C 13 54.609 0.007 . 1 . 236 . . 26 HIS CA . 18955 1 255 . 1 1 26 26 HIS CB C 13 30.959 0.027 . 1 . 237 . . 26 HIS CB . 18955 1 256 . 1 1 26 26 HIS N N 15 119.861 0.022 . 1 . 244 . . 26 HIS N . 18955 1 257 . 1 1 27 27 ALA H H 1 8.291 0.003 . 1 . 248 . . 27 ALA H . 18955 1 258 . 1 1 27 27 ALA HA H 1 4.018 0.004 . 1 . 249 . . 27 ALA HA . 18955 1 259 . 1 1 27 27 ALA HB1 H 1 1.198 0.005 . 1 . 250 . . 27 ALA HB1 . 18955 1 260 . 1 1 27 27 ALA HB2 H 1 1.198 0.005 . 1 . 250 . . 27 ALA HB2 . 18955 1 261 . 1 1 27 27 ALA HB3 H 1 1.198 0.005 . 1 . 250 . . 27 ALA HB3 . 18955 1 262 . 1 1 27 27 ALA C C 13 177.694 . . 1 . 245 . . 27 ALA C . 18955 1 263 . 1 1 27 27 ALA CA C 13 52.798 0.041 . 1 . 246 . . 27 ALA CA . 18955 1 264 . 1 1 27 27 ALA CB C 13 19.856 0.033 . 1 . 247 . . 27 ALA CB . 18955 1 265 . 1 1 27 27 ALA N N 15 119.176 0.017 . 1 . 251 . . 27 ALA N . 18955 1 266 . 1 1 28 28 HIS H H 1 8.621 0.004 . 1 . 254 . . 28 HIS H . 18955 1 267 . 1 1 28 28 HIS HA H 1 4.310 0.005 . 1 . 255 . . 28 HIS HA . 18955 1 268 . 1 1 28 28 HIS HB2 H 1 2.829 0.005 . 2 . 256 . . 28 HIS HB2 . 18955 1 269 . 1 1 28 28 HIS HB3 H 1 1.815 0.005 . 2 . 257 . . 28 HIS HB3 . 18955 1 270 . 1 1 28 28 HIS HD2 H 1 6.663 0.002 . 1 . 258 . . 28 HIS HD2 . 18955 1 271 . 1 1 28 28 HIS HE1 H 1 8.100 0.004 . 1 . 259 . . 28 HIS HE1 . 18955 1 272 . 1 1 28 28 HIS CA C 13 50.233 0.026 . 1 . 252 . . 28 HIS CA . 18955 1 273 . 1 1 28 28 HIS CB C 13 29.090 0.035 . 1 . 253 . . 28 HIS CB . 18955 1 274 . 1 1 28 28 HIS N N 15 121.911 0.017 . 1 . 260 . . 28 HIS N . 18955 1 275 . 1 1 29 29 PRO HA H 1 4.303 0.003 . 1 . 266 . . 29 PRO HA . 18955 1 276 . 1 1 29 29 PRO HB2 H 1 1.655 0.008 . 1 . 267 . . 29 PRO HB2 . 18955 1 277 . 1 1 29 29 PRO HG2 H 1 1.827 0.005 . 2 . 270 . . 29 PRO HG2 . 18955 1 278 . 1 1 29 29 PRO HG3 H 1 1.384 0.004 . 2 . 271 . . 29 PRO HG3 . 18955 1 279 . 1 1 29 29 PRO HD2 H 1 3.273 0.003 . 2 . 268 . . 29 PRO HD2 . 18955 1 280 . 1 1 29 29 PRO HD3 H 1 2.822 0.003 . 2 . 269 . . 29 PRO HD3 . 18955 1 281 . 1 1 29 29 PRO C C 13 174.876 . . 1 . 261 . . 29 PRO C . 18955 1 282 . 1 1 29 29 PRO CA C 13 62.922 0.022 . 1 . 262 . . 29 PRO CA . 18955 1 283 . 1 1 29 29 PRO CB C 13 31.485 0.028 . 1 . 263 . . 29 PRO CB . 18955 1 284 . 1 1 29 29 PRO CG C 13 27.144 0.059 . 1 . 265 . . 29 PRO CG . 18955 1 285 . 1 1 29 29 PRO CD C 13 50.148 0.014 . 1 . 264 . . 29 PRO CD . 18955 1 286 . 1 1 30 30 THR H H 1 8.531 0.006 . 1 . 276 . . 30 THR H . 18955 1 287 . 1 1 30 30 THR HA H 1 4.517 0.003 . 1 . 277 . . 30 THR HA . 18955 1 288 . 1 1 30 30 THR HB H 1 4.459 0.003 . 1 . 278 . . 30 THR HB . 18955 1 289 . 1 1 30 30 THR HG21 H 1 1.248 0.003 . 1 . 279 . . 30 THR HG21 . 18955 1 290 . 1 1 30 30 THR HG22 H 1 1.248 0.003 . 1 . 279 . . 30 THR HG22 . 18955 1 291 . 1 1 30 30 THR HG23 H 1 1.248 0.003 . 1 . 279 . . 30 THR HG23 . 18955 1 292 . 1 1 30 30 THR C C 13 174.611 . . 1 . 272 . . 30 THR C . 18955 1 293 . 1 1 30 30 THR CA C 13 61.354 0.028 . 1 . 273 . . 30 THR CA . 18955 1 294 . 1 1 30 30 THR CB C 13 70.987 0.018 . 1 . 274 . . 30 THR CB . 18955 1 295 . 1 1 30 30 THR CG2 C 13 21.916 . . 1 . 275 . . 30 THR CG2 . 18955 1 296 . 1 1 30 30 THR N N 15 108.847 . . 1 . 280 . . 30 THR N . 18955 1 297 . 1 1 31 31 LYS H H 1 7.903 0.004 . 1 . 287 . . 31 LYS H . 18955 1 298 . 1 1 31 31 LYS HA H 1 4.843 0.003 . 1 . 288 . . 31 LYS HA . 18955 1 299 . 1 1 31 31 LYS HB2 H 1 1.974 0.002 . 2 . 289 . . 31 LYS HB2 . 18955 1 300 . 1 1 31 31 LYS HB3 H 1 1.913 0.019 . 2 . 290 . . 31 LYS HB3 . 18955 1 301 . 1 1 31 31 LYS HG2 H 1 1.494 0.005 . 2 . 293 . . 31 LYS HG2 . 18955 1 302 . 1 1 31 31 LYS HG3 H 1 1.572 0.002 . 2 . 294 . . 31 LYS HG3 . 18955 1 303 . 1 1 31 31 LYS HD2 H 1 1.722 0.003 . 1 . 291 . . 31 LYS HD2 . 18955 1 304 . 1 1 31 31 LYS HE2 H 1 2.973 0.001 . 1 . 292 . . 31 LYS HE2 . 18955 1 305 . 1 1 31 31 LYS C C 13 175.628 . . 1 . 281 . . 31 LYS C . 18955 1 306 . 1 1 31 31 LYS CA C 13 54.157 0.016 . 1 . 282 . . 31 LYS CA . 18955 1 307 . 1 1 31 31 LYS CB C 13 35.752 0.023 . 1 . 283 . . 31 LYS CB . 18955 1 308 . 1 1 31 31 LYS CG C 13 24.409 0.019 . 1 . 286 . . 31 LYS CG . 18955 1 309 . 1 1 31 31 LYS CD C 13 29.107 0.001 . 1 . 284 . . 31 LYS CD . 18955 1 310 . 1 1 31 31 LYS CE C 13 41.998 . . 1 . 285 . . 31 LYS CE . 18955 1 311 . 1 1 31 31 LYS N N 15 120.524 0.008 . 1 . 295 . . 31 LYS N . 18955 1 312 . 1 1 32 32 VAL H H 1 8.753 0.004 . 1 . 301 . . 32 VAL H . 18955 1 313 . 1 1 32 32 VAL HA H 1 4.003 0.004 . 1 . 302 . . 32 VAL HA . 18955 1 314 . 1 1 32 32 VAL HB H 1 1.908 0.005 . 1 . 303 . . 32 VAL HB . 18955 1 315 . 1 1 32 32 VAL HG11 H 1 0.929 0.002 . 2 . 304 . . 32 VAL HG11 . 18955 1 316 . 1 1 32 32 VAL HG12 H 1 0.929 0.002 . 2 . 304 . . 32 VAL HG12 . 18955 1 317 . 1 1 32 32 VAL HG13 H 1 0.929 0.002 . 2 . 304 . . 32 VAL HG13 . 18955 1 318 . 1 1 32 32 VAL HG21 H 1 0.923 0.002 . 2 . 305 . . 32 VAL HG21 . 18955 1 319 . 1 1 32 32 VAL HG22 H 1 0.923 0.002 . 2 . 305 . . 32 VAL HG22 . 18955 1 320 . 1 1 32 32 VAL HG23 H 1 0.923 0.002 . 2 . 305 . . 32 VAL HG23 . 18955 1 321 . 1 1 32 32 VAL C C 13 175.113 . . 1 . 296 . . 32 VAL C . 18955 1 322 . 1 1 32 32 VAL CA C 13 63.778 0.043 . 1 . 297 . . 32 VAL CA . 18955 1 323 . 1 1 32 32 VAL CB C 13 31.922 0.03 . 1 . 298 . . 32 VAL CB . 18955 1 324 . 1 1 32 32 VAL CG1 C 13 22.700 0.008 . 2 . 299 . . 32 VAL CG1 . 18955 1 325 . 1 1 32 32 VAL CG2 C 13 20.733 0.024 . 2 . 300 . . 32 VAL CG2 . 18955 1 326 . 1 1 32 32 VAL N N 15 122.436 0.021 . 1 . 306 . . 32 VAL N . 18955 1 327 . 1 1 33 33 CYS H H 1 9.204 0.003 . 1 . 310 . . 33 CYS H . 18955 1 328 . 1 1 33 33 CYS HA H 1 3.568 0.003 . 1 . 311 . . 33 CYS HA . 18955 1 329 . 1 1 33 33 CYS HB2 H 1 3.252 0.004 . 1 . 312 . . 33 CYS HB2 . 18955 1 330 . 1 1 33 33 CYS C C 13 175.810 . . 1 . 307 . . 33 CYS C . 18955 1 331 . 1 1 33 33 CYS CA C 13 61.112 0.035 . 1 . 308 . . 33 CYS CA . 18955 1 332 . 1 1 33 33 CYS CB C 13 32.135 0.035 . 1 . 309 . . 33 CYS CB . 18955 1 333 . 1 1 33 33 CYS N N 15 130.300 0.022 . 1 . 313 . . 33 CYS N . 18955 1 334 . 1 1 34 34 ASN H H 1 8.628 0.003 . 1 . 317 . . 34 ASN H . 18955 1 335 . 1 1 34 34 ASN HA H 1 4.484 0.003 . 1 . 318 . . 34 ASN HA . 18955 1 336 . 1 1 34 34 ASN HB2 H 1 2.735 0.004 . 1 . 319 . . 34 ASN HB2 . 18955 1 337 . 1 1 34 34 ASN HD21 H 1 7.609 0.002 . 1 . 320 . . 34 ASN HD21 . 18955 1 338 . 1 1 34 34 ASN HD22 H 1 6.872 0.003 . 1 . 321 . . 34 ASN HD22 . 18955 1 339 . 1 1 34 34 ASN C C 13 175.686 . . 1 . 314 . . 34 ASN C . 18955 1 340 . 1 1 34 34 ASN CA C 13 55.744 0.006 . 1 . 315 . . 34 ASN CA . 18955 1 341 . 1 1 34 34 ASN CB C 13 38.544 0.007 . 1 . 316 . . 34 ASN CB . 18955 1 342 . 1 1 34 34 ASN N N 15 126.738 0.031 . 1 . 322 . . 34 ASN N . 18955 1 343 . 1 1 34 34 ASN ND2 N 15 112.629 0.006 . 1 . 323 . . 34 ASN ND2 . 18955 1 344 . 1 1 35 35 GLU H H 1 8.398 0.003 . 1 . 328 . . 35 GLU H . 18955 1 345 . 1 1 35 35 GLU HA H 1 4.334 0.003 . 1 . 329 . . 35 GLU HA . 18955 1 346 . 1 1 35 35 GLU HB2 H 1 2.018 0.01 . 2 . 330 . . 35 GLU HB2 . 18955 1 347 . 1 1 35 35 GLU HB3 H 1 1.955 0.004 . 2 . 331 . . 35 GLU HB3 . 18955 1 348 . 1 1 35 35 GLU HG2 H 1 2.330 0.005 . 1 . 332 . . 35 GLU HG2 . 18955 1 349 . 1 1 35 35 GLU C C 13 177.137 . . 1 . 324 . . 35 GLU C . 18955 1 350 . 1 1 35 35 GLU CA C 13 57.271 0.044 . 1 . 325 . . 35 GLU CA . 18955 1 351 . 1 1 35 35 GLU CB C 13 30.357 0.025 . 1 . 326 . . 35 GLU CB . 18955 1 352 . 1 1 35 35 GLU CG C 13 37.479 0.03 . 1 . 327 . . 35 GLU CG . 18955 1 353 . 1 1 35 35 GLU N N 15 117.324 0.027 . 1 . 333 . . 35 GLU N . 18955 1 354 . 1 1 36 36 TYR H H 1 7.682 0.004 . 1 . 336 . . 36 TYR H . 18955 1 355 . 1 1 36 36 TYR HA H 1 4.062 0.005 . 1 . 337 . . 36 TYR HA . 18955 1 356 . 1 1 36 36 TYR HB2 H 1 3.114 0.004 . 2 . 338 . . 36 TYR HB2 . 18955 1 357 . 1 1 36 36 TYR HB3 H 1 2.893 0.002 . 2 . 339 . . 36 TYR HB3 . 18955 1 358 . 1 1 36 36 TYR HD1 H 1 6.818 0.002 . 3 . 340 . . 36 TYR HD1 . 18955 1 359 . 1 1 36 36 TYR HD2 H 1 6.818 0.002 . 3 . 341 . . 36 TYR HD2 . 18955 1 360 . 1 1 36 36 TYR HE1 H 1 6.969 0.002 . 3 . 342 . . 36 TYR HE1 . 18955 1 361 . 1 1 36 36 TYR HE2 H 1 6.969 0.002 . 3 . 343 . . 36 TYR HE2 . 18955 1 362 . 1 1 36 36 TYR CA C 13 57.131 0.012 . 1 . 334 . . 36 TYR CA . 18955 1 363 . 1 1 36 36 TYR CB C 13 39.221 0.016 . 1 . 335 . . 36 TYR CB . 18955 1 364 . 1 1 36 36 TYR N N 15 124.425 0.021 . 1 . 344 . . 36 TYR N . 18955 1 365 . 1 1 37 37 PRO HA H 1 3.411 0.005 . 1 . 350 . . 37 PRO HA . 18955 1 366 . 1 1 37 37 PRO HB2 H 1 0.886 0.008 . 2 . 351 . . 37 PRO HB2 . 18955 1 367 . 1 1 37 37 PRO HB3 H 1 2.010 0.004 . 2 . 352 . . 37 PRO HB3 . 18955 1 368 . 1 1 37 37 PRO HG2 H 1 1.685 0.004 . 2 . 355 . . 37 PRO HG2 . 18955 1 369 . 1 1 37 37 PRO HG3 H 1 1.333 0.006 . 2 . 356 . . 37 PRO HG3 . 18955 1 370 . 1 1 37 37 PRO HD2 H 1 3.251 0.004 . 2 . 353 . . 37 PRO HD2 . 18955 1 371 . 1 1 37 37 PRO HD3 H 1 3.288 0.001 . 2 . 354 . . 37 PRO HD3 . 18955 1 372 . 1 1 37 37 PRO C C 13 174.653 . . 1 . 345 . . 37 PRO C . 18955 1 373 . 1 1 37 37 PRO CA C 13 63.742 0.014 . 1 . 346 . . 37 PRO CA . 18955 1 374 . 1 1 37 37 PRO CB C 13 32.062 0.062 . 1 . 347 . . 37 PRO CB . 18955 1 375 . 1 1 37 37 PRO CG C 13 23.938 0.008 . 1 . 349 . . 37 PRO CG . 18955 1 376 . 1 1 37 37 PRO CD C 13 49.747 . . 1 . 348 . . 37 PRO CD . 18955 1 377 . 1 1 38 38 ASN H H 1 9.012 0.003 . 1 . 360 . . 38 ASN H . 18955 1 378 . 1 1 38 38 ASN HA H 1 4.955 0.004 . 1 . 361 . . 38 ASN HA . 18955 1 379 . 1 1 38 38 ASN HB2 H 1 2.897 0.002 . 2 . 362 . . 38 ASN HB2 . 18955 1 380 . 1 1 38 38 ASN HB3 H 1 2.507 0.003 . 2 . 363 . . 38 ASN HB3 . 18955 1 381 . 1 1 38 38 ASN HD21 H 1 7.692 0.003 . 1 . 364 . . 38 ASN HD21 . 18955 1 382 . 1 1 38 38 ASN HD22 H 1 6.883 0.003 . 1 . 365 . . 38 ASN HD22 . 18955 1 383 . 1 1 38 38 ASN C C 13 173.986 . . 1 . 357 . . 38 ASN C . 18955 1 384 . 1 1 38 38 ASN CA C 13 52.198 0.038 . 1 . 358 . . 38 ASN CA . 18955 1 385 . 1 1 38 38 ASN CB C 13 39.079 0.011 . 1 . 359 . . 38 ASN CB . 18955 1 386 . 1 1 38 38 ASN N N 15 124.807 0.015 . 1 . 366 . . 38 ASN N . 18955 1 387 . 1 1 38 38 ASN ND2 N 15 113.201 0.001 . 1 . 367 . . 38 ASN ND2 . 18955 1 388 . 1 1 39 39 CYS H H 1 7.402 0.004 . 1 . 370 . . 39 CYS H . 18955 1 389 . 1 1 39 39 CYS HA H 1 4.519 0.002 . 1 . 371 . . 39 CYS HA . 18955 1 390 . 1 1 39 39 CYS HB2 H 1 2.832 0.002 . 2 . 372 . . 39 CYS HB2 . 18955 1 391 . 1 1 39 39 CYS HB3 H 1 2.759 0.003 . 2 . 373 . . 39 CYS HB3 . 18955 1 392 . 1 1 39 39 CYS CA C 13 56.190 0.044 . 1 . 368 . . 39 CYS CA . 18955 1 393 . 1 1 39 39 CYS CB C 13 31.425 0.002 . 1 . 369 . . 39 CYS CB . 18955 1 394 . 1 1 39 39 CYS N N 15 123.162 0.021 . 1 . 374 . . 39 CYS N . 18955 1 395 . 1 1 40 40 PRO HA H 1 4.623 0.004 . 1 . 380 . . 40 PRO HA . 18955 1 396 . 1 1 40 40 PRO HB2 H 1 2.207 0.003 . 2 . 381 . . 40 PRO HB2 . 18955 1 397 . 1 1 40 40 PRO HB3 H 1 2.154 . . 2 . 382 . . 40 PRO HB3 . 18955 1 398 . 1 1 40 40 PRO HG2 H 1 2.142 0.01 . 2 . 385 . . 40 PRO HG2 . 18955 1 399 . 1 1 40 40 PRO HG3 H 1 1.892 0.004 . 2 . 386 . . 40 PRO HG3 . 18955 1 400 . 1 1 40 40 PRO HD2 H 1 4.296 0.002 . 2 . 383 . . 40 PRO HD2 . 18955 1 401 . 1 1 40 40 PRO HD3 H 1 3.838 0.006 . 2 . 384 . . 40 PRO HD3 . 18955 1 402 . 1 1 40 40 PRO C C 13 177.154 . . 1 . 375 . . 40 PRO C . 18955 1 403 . 1 1 40 40 PRO CA C 13 63.437 0.01 . 1 . 376 . . 40 PRO CA . 18955 1 404 . 1 1 40 40 PRO CB C 13 31.956 0.012 . 1 . 377 . . 40 PRO CB . 18955 1 405 . 1 1 40 40 PRO CG C 13 26.607 0.015 . 1 . 379 . . 40 PRO CG . 18955 1 406 . 1 1 40 40 PRO CD C 13 51.423 0.017 . 1 . 378 . . 40 PRO CD . 18955 1 407 . 1 1 41 41 LYS H H 1 8.505 0.003 . 1 . 392 . . 41 LYS H . 18955 1 408 . 1 1 41 41 LYS HA H 1 4.467 0.006 . 1 . 393 . . 41 LYS HA . 18955 1 409 . 1 1 41 41 LYS HB2 H 1 2.134 0.005 . 2 . 394 . . 41 LYS HB2 . 18955 1 410 . 1 1 41 41 LYS HB3 H 1 1.854 0.007 . 2 . 395 . . 41 LYS HB3 . 18955 1 411 . 1 1 41 41 LYS HG2 H 1 1.492 0.005 . 2 . 400 . . 41 LYS HG2 . 18955 1 412 . 1 1 41 41 LYS HG3 H 1 1.665 0.005 . 2 . 401 . . 41 LYS HG3 . 18955 1 413 . 1 1 41 41 LYS HD2 H 1 1.758 0.002 . 2 . 396 . . 41 LYS HD2 . 18955 1 414 . 1 1 41 41 LYS HD3 H 1 1.890 0.003 . 2 . 397 . . 41 LYS HD3 . 18955 1 415 . 1 1 41 41 LYS HE2 H 1 3.137 0.005 . 2 . 398 . . 41 LYS HE2 . 18955 1 416 . 1 1 41 41 LYS HE3 H 1 3.144 0.001 . 2 . 399 . . 41 LYS HE3 . 18955 1 417 . 1 1 41 41 LYS CA C 13 55.291 0.016 . 1 . 387 . . 41 LYS CA . 18955 1 418 . 1 1 41 41 LYS CB C 13 31.073 0.008 . 1 . 388 . . 41 LYS CB . 18955 1 419 . 1 1 41 41 LYS CG C 13 26.690 0.023 . 1 . 391 . . 41 LYS CG . 18955 1 420 . 1 1 41 41 LYS CD C 13 29.481 0.013 . 1 . 389 . . 41 LYS CD . 18955 1 421 . 1 1 41 41 LYS CE C 13 42.557 0.055 . 1 . 390 . . 41 LYS CE . 18955 1 422 . 1 1 41 41 LYS N N 15 124.574 0.023 . 1 . 402 . . 41 LYS N . 18955 1 423 . 1 1 42 42 PRO HA H 1 4.784 0.004 . 1 . 407 . . 42 PRO HA . 18955 1 424 . 1 1 42 42 PRO HB2 H 1 2.468 0.005 . 2 . 408 . . 42 PRO HB2 . 18955 1 425 . 1 1 42 42 PRO HB3 H 1 1.976 0.002 . 2 . 409 . . 42 PRO HB3 . 18955 1 426 . 1 1 42 42 PRO HG2 H 1 2.108 0.01 . 2 . 412 . . 42 PRO HG2 . 18955 1 427 . 1 1 42 42 PRO HG3 H 1 2.052 0.004 . 2 . 413 . . 42 PRO HG3 . 18955 1 428 . 1 1 42 42 PRO HD2 H 1 3.992 0.003 . 2 . 410 . . 42 PRO HD2 . 18955 1 429 . 1 1 42 42 PRO HD3 H 1 3.690 0.015 . 2 . 411 . . 42 PRO HD3 . 18955 1 430 . 1 1 42 42 PRO CA C 13 61.500 0.012 . 1 . 403 . . 42 PRO CA . 18955 1 431 . 1 1 42 42 PRO CB C 13 30.501 0.011 . 1 . 404 . . 42 PRO CB . 18955 1 432 . 1 1 42 42 PRO CG C 13 27.300 0.047 . 1 . 406 . . 42 PRO CG . 18955 1 433 . 1 1 42 42 PRO CD C 13 50.739 0.01 . 1 . 405 . . 42 PRO CD . 18955 1 434 . 1 1 43 43 PRO HA H 1 4.463 0.004 . 1 . 419 . . 43 PRO HA . 18955 1 435 . 1 1 43 43 PRO HB2 H 1 2.310 0.008 . 2 . 420 . . 43 PRO HB2 . 18955 1 436 . 1 1 43 43 PRO HB3 H 1 1.955 0.004 . 2 . 421 . . 43 PRO HB3 . 18955 1 437 . 1 1 43 43 PRO HG2 H 1 2.205 0.004 . 2 . 424 . . 43 PRO HG2 . 18955 1 438 . 1 1 43 43 PRO HG3 H 1 2.115 0.001 . 2 . 425 . . 43 PRO HG3 . 18955 1 439 . 1 1 43 43 PRO HD2 H 1 3.989 0.005 . 2 . 422 . . 43 PRO HD2 . 18955 1 440 . 1 1 43 43 PRO HD3 H 1 3.659 0.001 . 2 . 423 . . 43 PRO HD3 . 18955 1 441 . 1 1 43 43 PRO C C 13 177.579 . . 1 . 414 . . 43 PRO C . 18955 1 442 . 1 1 43 43 PRO CA C 13 64.122 0.029 . 1 . 415 . . 43 PRO CA . 18955 1 443 . 1 1 43 43 PRO CB C 13 31.866 0.016 . 1 . 416 . . 43 PRO CB . 18955 1 444 . 1 1 43 43 PRO CG C 13 27.519 0.022 . 1 . 418 . . 43 PRO CG . 18955 1 445 . 1 1 43 43 PRO CD C 13 50.733 0.018 . 1 . 417 . . 43 PRO CD . 18955 1 446 . 1 1 44 44 GLY H H 1 9.491 0.003 . 1 . 428 . . 44 GLY H . 18955 1 447 . 1 1 44 44 GLY HA2 H 1 3.742 0.007 . 2 . 429 . . 44 GLY HA2 . 18955 1 448 . 1 1 44 44 GLY HA3 H 1 4.213 0.007 . 2 . 430 . . 44 GLY HA3 . 18955 1 449 . 1 1 44 44 GLY C C 13 174.842 . . 1 . 426 . . 44 GLY C . 18955 1 450 . 1 1 44 44 GLY CA C 13 45.338 0.006 . 1 . 427 . . 44 GLY CA . 18955 1 451 . 1 1 44 44 GLY N N 15 110.896 . . 1 . 431 . . 44 GLY N . 18955 1 452 . 1 1 45 45 THR H H 1 7.981 0.004 . 1 . 436 . . 45 THR H . 18955 1 453 . 1 1 45 45 THR HA H 1 4.717 0.004 . 1 . 437 . . 45 THR HA . 18955 1 454 . 1 1 45 45 THR HB H 1 4.197 0.004 . 1 . 438 . . 45 THR HB . 18955 1 455 . 1 1 45 45 THR HG1 H 1 5.263 0.003 . 1 . 439 . . 45 THR HG1 . 18955 1 456 . 1 1 45 45 THR HG21 H 1 1.069 0.002 . 1 . 440 . . 45 THR HG21 . 18955 1 457 . 1 1 45 45 THR HG22 H 1 1.069 0.002 . 1 . 440 . . 45 THR HG22 . 18955 1 458 . 1 1 45 45 THR HG23 H 1 1.069 0.002 . 1 . 440 . . 45 THR HG23 . 18955 1 459 . 1 1 45 45 THR C C 13 174.695 . . 1 . 432 . . 45 THR C . 18955 1 460 . 1 1 45 45 THR CA C 13 62.502 0.026 . 1 . 433 . . 45 THR CA . 18955 1 461 . 1 1 45 45 THR CB C 13 71.865 0.019 . 1 . 434 . . 45 THR CB . 18955 1 462 . 1 1 45 45 THR CG2 C 13 20.856 . . 1 . 435 . . 45 THR CG2 . 18955 1 463 . 1 1 45 45 THR N N 15 106.734 . . 1 . 441 . . 45 THR N . 18955 1 464 . 1 1 46 46 CYS H H 1 9.131 0.002 . 1 . 445 . . 46 CYS H . 18955 1 465 . 1 1 46 46 CYS HA H 1 3.890 0.005 . 1 . 446 . . 46 CYS HA . 18955 1 466 . 1 1 46 46 CYS HB2 H 1 2.625 0.004 . 2 . 447 . . 46 CYS HB2 . 18955 1 467 . 1 1 46 46 CYS HB3 H 1 2.627 0.001 . 2 . 448 . . 46 CYS HB3 . 18955 1 468 . 1 1 46 46 CYS C C 13 174.975 . . 1 . 442 . . 46 CYS C . 18955 1 469 . 1 1 46 46 CYS CA C 13 61.898 0.068 . 1 . 443 . . 46 CYS CA . 18955 1 470 . 1 1 46 46 CYS CB C 13 28.605 0.023 . 1 . 444 . . 46 CYS CB . 18955 1 471 . 1 1 46 46 CYS N N 15 127.634 0.03 . 1 . 449 . . 46 CYS N . 18955 1 472 . 1 1 47 47 GLU H H 1 8.894 0.004 . 1 . 454 . . 47 GLU H . 18955 1 473 . 1 1 47 47 GLU HA H 1 3.477 0.005 . 1 . 455 . . 47 GLU HA . 18955 1 474 . 1 1 47 47 GLU HB2 H 1 1.714 0.004 . 2 . 456 . . 47 GLU HB2 . 18955 1 475 . 1 1 47 47 GLU HB3 H 1 1.457 0.005 . 2 . 457 . . 47 GLU HB3 . 18955 1 476 . 1 1 47 47 GLU HG2 H 1 2.072 0.008 . 2 . 458 . . 47 GLU HG2 . 18955 1 477 . 1 1 47 47 GLU HG3 H 1 1.706 0.004 . 2 . 459 . . 47 GLU HG3 . 18955 1 478 . 1 1 47 47 GLU C C 13 173.486 . . 1 . 450 . . 47 GLU C . 18955 1 479 . 1 1 47 47 GLU CA C 13 59.219 0.025 . 1 . 451 . . 47 GLU CA . 18955 1 480 . 1 1 47 47 GLU CB C 13 28.230 0.026 . 1 . 452 . . 47 GLU CB . 18955 1 481 . 1 1 47 47 GLU CG C 13 36.935 0.018 . 1 . 453 . . 47 GLU CG . 18955 1 482 . 1 1 47 47 GLU N N 15 125.827 0.028 . 1 . 460 . . 47 GLU N . 18955 1 483 . 1 1 48 48 PHE H H 1 8.928 0.003 . 1 . 464 . . 48 PHE H . 18955 1 484 . 1 1 48 48 PHE HA H 1 4.734 0.003 . 1 . 465 . . 48 PHE HA . 18955 1 485 . 1 1 48 48 PHE HB2 H 1 3.507 0.003 . 2 . 466 . . 48 PHE HB2 . 18955 1 486 . 1 1 48 48 PHE HB3 H 1 3.073 0.006 . 2 . 467 . . 48 PHE HB3 . 18955 1 487 . 1 1 48 48 PHE HD1 H 1 7.481 0.003 . 3 . 468 . . 48 PHE HD1 . 18955 1 488 . 1 1 48 48 PHE HD2 H 1 7.481 0.003 . 3 . 469 . . 48 PHE HD2 . 18955 1 489 . 1 1 48 48 PHE HE1 H 1 7.418 0.002 . 3 . 470 . . 48 PHE HE1 . 18955 1 490 . 1 1 48 48 PHE HE2 H 1 7.418 0.002 . 3 . 471 . . 48 PHE HE2 . 18955 1 491 . 1 1 48 48 PHE C C 13 173.376 . . 1 . 461 . . 48 PHE C . 18955 1 492 . 1 1 48 48 PHE CA C 13 56.033 0.018 . 1 . 462 . . 48 PHE CA . 18955 1 493 . 1 1 48 48 PHE CB C 13 40.898 0.089 . 1 . 463 . . 48 PHE CB . 18955 1 494 . 1 1 48 48 PHE N N 15 119.757 0.023 . 1 . 472 . . 48 PHE N . 18955 1 495 . 1 1 49 49 LEU H H 1 8.757 0.003 . 1 . 479 . . 49 LEU H . 18955 1 496 . 1 1 49 49 LEU HA H 1 4.248 0.005 . 1 . 480 . . 49 LEU HA . 18955 1 497 . 1 1 49 49 LEU HB2 H 1 1.193 0.004 . 2 . 481 . . 49 LEU HB2 . 18955 1 498 . 1 1 49 49 LEU HB3 H 1 1.491 0.003 . 2 . 482 . . 49 LEU HB3 . 18955 1 499 . 1 1 49 49 LEU HG H 1 1.289 0.006 . 1 . 485 . . 49 LEU HG . 18955 1 500 . 1 1 49 49 LEU HD11 H 1 0.754 0.002 . 2 . 483 . . 49 LEU HD11 . 18955 1 501 . 1 1 49 49 LEU HD12 H 1 0.754 0.002 . 2 . 483 . . 49 LEU HD12 . 18955 1 502 . 1 1 49 49 LEU HD13 H 1 0.754 0.002 . 2 . 483 . . 49 LEU HD13 . 18955 1 503 . 1 1 49 49 LEU HD21 H 1 0.667 0.002 . 2 . 484 . . 49 LEU HD21 . 18955 1 504 . 1 1 49 49 LEU HD22 H 1 0.667 0.002 . 2 . 484 . . 49 LEU HD22 . 18955 1 505 . 1 1 49 49 LEU HD23 H 1 0.667 0.002 . 2 . 484 . . 49 LEU HD23 . 18955 1 506 . 1 1 49 49 LEU C C 13 178.344 . . 1 . 473 . . 49 LEU C . 18955 1 507 . 1 1 49 49 LEU CA C 13 54.605 0.045 . 1 . 474 . . 49 LEU CA . 18955 1 508 . 1 1 49 49 LEU CB C 13 44.407 0.042 . 1 . 475 . . 49 LEU CB . 18955 1 509 . 1 1 49 49 LEU CG C 13 27.112 0.031 . 1 . 478 . . 49 LEU CG . 18955 1 510 . 1 1 49 49 LEU CD1 C 13 23.256 . . 2 . 476 . . 49 LEU CD1 . 18955 1 511 . 1 1 49 49 LEU CD2 C 13 25.521 . . 2 . 477 . . 49 LEU CD2 . 18955 1 512 . 1 1 49 49 LEU N N 15 114.329 . . 1 . 486 . . 49 LEU N . 18955 1 513 . 1 1 50 50 HIS H H 1 10.160 0.004 . 1 . 489 . . 50 HIS H . 18955 1 514 . 1 1 50 50 HIS HA H 1 4.789 0.004 . 1 . 490 . . 50 HIS HA . 18955 1 515 . 1 1 50 50 HIS HB2 H 1 2.788 0.006 . 2 . 491 . . 50 HIS HB2 . 18955 1 516 . 1 1 50 50 HIS HB3 H 1 3.365 0.007 . 2 . 492 . . 50 HIS HB3 . 18955 1 517 . 1 1 50 50 HIS HD1 H 1 12.250 0.003 . 1 . 493 . . 50 HIS HD1 . 18955 1 518 . 1 1 50 50 HIS HD2 H 1 6.872 0.002 . 1 . 494 . . 50 HIS HD2 . 18955 1 519 . 1 1 50 50 HIS HE1 H 1 8.252 0.002 . 1 . 495 . . 50 HIS HE1 . 18955 1 520 . 1 1 50 50 HIS CA C 13 50.347 0.014 . 1 . 487 . . 50 HIS CA . 18955 1 521 . 1 1 50 50 HIS CB C 13 30.221 0.003 . 1 . 488 . . 50 HIS CB . 18955 1 522 . 1 1 50 50 HIS N N 15 120.645 0.026 . 1 . 496 . . 50 HIS N . 18955 1 523 . 1 1 51 51 PRO HA H 1 4.024 0.007 . 1 . 502 . . 51 PRO HA . 18955 1 524 . 1 1 51 51 PRO HB2 H 1 2.280 0.002 . 2 . 503 . . 51 PRO HB2 . 18955 1 525 . 1 1 51 51 PRO HB3 H 1 1.825 0.005 . 2 . 504 . . 51 PRO HB3 . 18955 1 526 . 1 1 51 51 PRO HG2 H 1 1.938 0.002 . 2 . 507 . . 51 PRO HG2 . 18955 1 527 . 1 1 51 51 PRO HG3 H 1 1.627 0.009 . 2 . 508 . . 51 PRO HG3 . 18955 1 528 . 1 1 51 51 PRO HD2 H 1 3.333 0.002 . 2 . 505 . . 51 PRO HD2 . 18955 1 529 . 1 1 51 51 PRO HD3 H 1 2.012 0.002 . 2 . 506 . . 51 PRO HD3 . 18955 1 530 . 1 1 51 51 PRO C C 13 175.849 . . 1 . 497 . . 51 PRO C . 18955 1 531 . 1 1 51 51 PRO CA C 13 66.490 0.024 . 1 . 498 . . 51 PRO CA . 18955 1 532 . 1 1 51 51 PRO CB C 13 31.931 0.004 . 1 . 499 . . 51 PRO CB . 18955 1 533 . 1 1 51 51 PRO CG C 13 27.184 0.003 . 1 . 501 . . 51 PRO CG . 18955 1 534 . 1 1 51 51 PRO CD C 13 49.366 0.014 . 1 . 500 . . 51 PRO CD . 18955 1 535 . 1 1 52 52 ASN H H 1 8.056 0.007 . 1 . 512 . . 52 ASN H . 18955 1 536 . 1 1 52 52 ASN HA H 1 4.545 0.014 . 1 . 513 . . 52 ASN HA . 18955 1 537 . 1 1 52 52 ASN HB2 H 1 3.231 0.002 . 2 . 514 . . 52 ASN HB2 . 18955 1 538 . 1 1 52 52 ASN HB3 H 1 2.993 0.005 . 2 . 515 . . 52 ASN HB3 . 18955 1 539 . 1 1 52 52 ASN HD21 H 1 7.683 0.003 . 1 . 516 . . 52 ASN HD21 . 18955 1 540 . 1 1 52 52 ASN HD22 H 1 7.063 0.003 . 1 . 517 . . 52 ASN HD22 . 18955 1 541 . 1 1 52 52 ASN C C 13 176.891 . . 1 . 509 . . 52 ASN C . 18955 1 542 . 1 1 52 52 ASN CA C 13 55.920 0.026 . 1 . 510 . . 52 ASN CA . 18955 1 543 . 1 1 52 52 ASN CB C 13 37.223 0.038 . 1 . 511 . . 52 ASN CB . 18955 1 544 . 1 1 52 52 ASN N N 15 111.065 . . 1 . 518 . . 52 ASN N . 18955 1 545 . 1 1 52 52 ASN ND2 N 15 111.540 0.002 . 1 . 519 . . 52 ASN ND2 . 18955 1 546 . 1 1 53 53 GLU H H 1 8.071 0.006 . 1 . 524 . . 53 GLU H . 18955 1 547 . 1 1 53 53 GLU HA H 1 4.467 0.005 . 1 . 525 . . 53 GLU HA . 18955 1 548 . 1 1 53 53 GLU HB2 H 1 2.226 0.005 . 2 . 526 . . 53 GLU HB2 . 18955 1 549 . 1 1 53 53 GLU HB3 H 1 2.136 0.004 . 2 . 527 . . 53 GLU HB3 . 18955 1 550 . 1 1 53 53 GLU HG2 H 1 2.530 0.005 . 1 . 528 . . 53 GLU HG2 . 18955 1 551 . 1 1 53 53 GLU C C 13 177.828 . . 1 . 520 . . 53 GLU C . 18955 1 552 . 1 1 53 53 GLU CA C 13 57.156 0.037 . 1 . 521 . . 53 GLU CA . 18955 1 553 . 1 1 53 53 GLU CB C 13 32.160 0.013 . 1 . 522 . . 53 GLU CB . 18955 1 554 . 1 1 53 53 GLU CG C 13 35.601 0.005 . 1 . 523 . . 53 GLU CG . 18955 1 555 . 1 1 53 53 GLU N N 15 119.242 0.021 . 1 . 529 . . 53 GLU N . 18955 1 556 . 1 1 54 54 ASP H H 1 8.081 0.003 . 1 . 533 . . 54 ASP H . 18955 1 557 . 1 1 54 54 ASP HA H 1 5.259 0.006 . 1 . 534 . . 54 ASP HA . 18955 1 558 . 1 1 54 54 ASP HB2 H 1 3.082 0.006 . 2 . 535 . . 54 ASP HB2 . 18955 1 559 . 1 1 54 54 ASP HB3 H 1 2.375 0.003 . 2 . 536 . . 54 ASP HB3 . 18955 1 560 . 1 1 54 54 ASP C C 13 176.168 . . 1 . 530 . . 54 ASP C . 18955 1 561 . 1 1 54 54 ASP CA C 13 53.975 0.026 . 1 . 531 . . 54 ASP CA . 18955 1 562 . 1 1 54 54 ASP CB C 13 41.555 0.008 . 1 . 532 . . 54 ASP CB . 18955 1 563 . 1 1 54 54 ASP N N 15 115.820 . . 1 . 537 . . 54 ASP N . 18955 1 564 . 1 1 55 55 GLU H H 1 7.791 0.005 . 1 . 542 . . 55 GLU H . 18955 1 565 . 1 1 55 55 GLU HA H 1 4.011 0.004 . 1 . 543 . . 55 GLU HA . 18955 1 566 . 1 1 55 55 GLU HB2 H 1 2.241 0.003 . 2 . 544 . . 55 GLU HB2 . 18955 1 567 . 1 1 55 55 GLU HB3 H 1 2.070 0.004 . 2 . 545 . . 55 GLU HB3 . 18955 1 568 . 1 1 55 55 GLU HG2 H 1 2.404 0.007 . 2 . 546 . . 55 GLU HG2 . 18955 1 569 . 1 1 55 55 GLU HG3 H 1 2.235 . . 2 . 547 . . 55 GLU HG3 . 18955 1 570 . 1 1 55 55 GLU C C 13 178.920 . . 1 . 538 . . 55 GLU C . 18955 1 571 . 1 1 55 55 GLU CA C 13 60.867 0.037 . 1 . 539 . . 55 GLU CA . 18955 1 572 . 1 1 55 55 GLU CB C 13 29.930 0.009 . 1 . 540 . . 55 GLU CB . 18955 1 573 . 1 1 55 55 GLU CG C 13 36.187 0.013 . 1 . 541 . . 55 GLU CG . 18955 1 574 . 1 1 55 55 GLU N N 15 120.872 0.018 . 1 . 548 . . 55 GLU N . 18955 1 575 . 1 1 56 56 GLU H H 1 8.848 0.003 . 1 . 553 . . 56 GLU H . 18955 1 576 . 1 1 56 56 GLU HA H 1 4.088 0.003 . 1 . 554 . . 56 GLU HA . 18955 1 577 . 1 1 56 56 GLU HB2 H 1 2.061 0.004 . 1 . 555 . . 56 GLU HB2 . 18955 1 578 . 1 1 56 56 GLU HG2 H 1 2.393 0.003 . 2 . 556 . . 56 GLU HG2 . 18955 1 579 . 1 1 56 56 GLU HG3 H 1 2.335 0.004 . 2 . 557 . . 56 GLU HG3 . 18955 1 580 . 1 1 56 56 GLU C C 13 179.383 . . 1 . 549 . . 56 GLU C . 18955 1 581 . 1 1 56 56 GLU CA C 13 59.507 0.017 . 1 . 550 . . 56 GLU CA . 18955 1 582 . 1 1 56 56 GLU CB C 13 28.545 0.05 . 1 . 551 . . 56 GLU CB . 18955 1 583 . 1 1 56 56 GLU CG C 13 36.190 0.016 . 1 . 552 . . 56 GLU CG . 18955 1 584 . 1 1 56 56 GLU N N 15 117.047 0.046 . 1 . 558 . . 56 GLU N . 18955 1 585 . 1 1 57 57 LEU H H 1 7.730 0.004 . 1 . 565 . . 57 LEU H . 18955 1 586 . 1 1 57 57 LEU HA H 1 4.194 0.001 . 1 . 566 . . 57 LEU HA . 18955 1 587 . 1 1 57 57 LEU HB2 H 1 1.790 0.005 . 2 . 567 . . 57 LEU HB2 . 18955 1 588 . 1 1 57 57 LEU HB3 H 1 1.715 0.005 . 2 . 568 . . 57 LEU HB3 . 18955 1 589 . 1 1 57 57 LEU HG H 1 1.592 0.005 . 1 . 571 . . 57 LEU HG . 18955 1 590 . 1 1 57 57 LEU HD11 H 1 0.938 0.004 . 2 . 569 . . 57 LEU HD11 . 18955 1 591 . 1 1 57 57 LEU HD12 H 1 0.938 0.004 . 2 . 569 . . 57 LEU HD12 . 18955 1 592 . 1 1 57 57 LEU HD13 H 1 0.938 0.004 . 2 . 569 . . 57 LEU HD13 . 18955 1 593 . 1 1 57 57 LEU HD21 H 1 0.868 0.007 . 2 . 570 . . 57 LEU HD21 . 18955 1 594 . 1 1 57 57 LEU HD22 H 1 0.868 0.007 . 2 . 570 . . 57 LEU HD22 . 18955 1 595 . 1 1 57 57 LEU HD23 H 1 0.868 0.007 . 2 . 570 . . 57 LEU HD23 . 18955 1 596 . 1 1 57 57 LEU C C 13 179.100 . . 1 . 559 . . 57 LEU C . 18955 1 597 . 1 1 57 57 LEU CA C 13 57.791 0.04 . 1 . 560 . . 57 LEU CA . 18955 1 598 . 1 1 57 57 LEU CB C 13 41.537 0.007 . 1 . 561 . . 57 LEU CB . 18955 1 599 . 1 1 57 57 LEU CG C 13 27.307 0.01 . 1 . 564 . . 57 LEU CG . 18955 1 600 . 1 1 57 57 LEU CD1 C 13 24.125 0.009 . 2 . 562 . . 57 LEU CD1 . 18955 1 601 . 1 1 57 57 LEU CD2 C 13 25.592 0.019 . 2 . 563 . . 57 LEU CD2 . 18955 1 602 . 1 1 57 57 LEU N N 15 122.039 0.031 . 1 . 572 . . 57 LEU N . 18955 1 603 . 1 1 58 58 MET H H 1 8.542 0.002 . 1 . 578 . . 58 MET H . 18955 1 604 . 1 1 58 58 MET HA H 1 4.135 0.003 . 1 . 579 . . 58 MET HA . 18955 1 605 . 1 1 58 58 MET HB2 H 1 2.242 0.004 . 2 . 580 . . 58 MET HB2 . 18955 1 606 . 1 1 58 58 MET HB3 H 1 2.117 0.008 . 2 . 581 . . 58 MET HB3 . 18955 1 607 . 1 1 58 58 MET HG2 H 1 2.629 0.004 . 2 . 583 . . 58 MET HG2 . 18955 1 608 . 1 1 58 58 MET HG3 H 1 2.405 0.005 . 2 . 584 . . 58 MET HG3 . 18955 1 609 . 1 1 58 58 MET HE1 H 1 2.024 0.007 . 1 . 582 . . 58 MET HE1 . 18955 1 610 . 1 1 58 58 MET HE2 H 1 2.024 0.007 . 1 . 582 . . 58 MET HE2 . 18955 1 611 . 1 1 58 58 MET HE3 H 1 2.024 0.007 . 1 . 582 . . 58 MET HE3 . 18955 1 612 . 1 1 58 58 MET C C 13 179.484 . . 1 . 573 . . 58 MET C . 18955 1 613 . 1 1 58 58 MET CA C 13 59.232 0.012 . 1 . 574 . . 58 MET CA . 18955 1 614 . 1 1 58 58 MET CB C 13 32.592 0.023 . 1 . 575 . . 58 MET CB . 18955 1 615 . 1 1 58 58 MET CG C 13 32.825 . . 1 . 577 . . 58 MET CG . 18955 1 616 . 1 1 58 58 MET CE C 13 16.245 . . 1 . 576 . . 58 MET CE . 18955 1 617 . 1 1 58 58 MET N N 15 117.033 0.02 . 1 . 585 . . 58 MET N . 18955 1 618 . 1 1 59 59 LYS H H 1 8.191 0.003 . 1 . 592 . . 59 LYS H . 18955 1 619 . 1 1 59 59 LYS HA H 1 4.116 0.002 . 1 . 593 . . 59 LYS HA . 18955 1 620 . 1 1 59 59 LYS HB2 H 1 2.008 0.003 . 2 . 594 . . 59 LYS HB2 . 18955 1 621 . 1 1 59 59 LYS HB3 H 1 1.907 0.001 . 2 . 595 . . 59 LYS HB3 . 18955 1 622 . 1 1 59 59 LYS HG2 H 1 1.701 0.002 . 2 . 598 . . 59 LYS HG2 . 18955 1 623 . 1 1 59 59 LYS HG3 H 1 1.486 0.005 . 2 . 599 . . 59 LYS HG3 . 18955 1 624 . 1 1 59 59 LYS HD2 H 1 1.703 0.001 . 1 . 596 . . 59 LYS HD2 . 18955 1 625 . 1 1 59 59 LYS HE2 H 1 2.957 0.001 . 1 . 597 . . 59 LYS HE2 . 18955 1 626 . 1 1 59 59 LYS C C 13 179.662 . . 1 . 586 . . 59 LYS C . 18955 1 627 . 1 1 59 59 LYS CA C 13 59.475 0.018 . 1 . 587 . . 59 LYS CA . 18955 1 628 . 1 1 59 59 LYS CB C 13 32.116 0.008 . 1 . 588 . . 59 LYS CB . 18955 1 629 . 1 1 59 59 LYS CG C 13 25.310 0.042 . 1 . 591 . . 59 LYS CG . 18955 1 630 . 1 1 59 59 LYS CD C 13 29.160 0.006 . 1 . 589 . . 59 LYS CD . 18955 1 631 . 1 1 59 59 LYS CE C 13 41.943 . . 1 . 590 . . 59 LYS CE . 18955 1 632 . 1 1 59 59 LYS N N 15 119.633 0.015 . 1 . 600 . . 59 LYS N . 18955 1 633 . 1 1 60 60 GLU H H 1 8.031 0.003 . 1 . 605 . . 60 GLU H . 18955 1 634 . 1 1 60 60 GLU HA H 1 4.257 0.003 . 1 . 606 . . 60 GLU HA . 18955 1 635 . 1 1 60 60 GLU HB2 H 1 2.173 . . 2 . 607 . . 60 GLU HB2 . 18955 1 636 . 1 1 60 60 GLU HB3 H 1 2.013 0.002 . 2 . 608 . . 60 GLU HB3 . 18955 1 637 . 1 1 60 60 GLU HG2 H 1 2.417 0.007 . 2 . 609 . . 60 GLU HG2 . 18955 1 638 . 1 1 60 60 GLU HG3 H 1 2.125 0.012 . 2 . 610 . . 60 GLU HG3 . 18955 1 639 . 1 1 60 60 GLU C C 13 179.889 . . 1 . 601 . . 60 GLU C . 18955 1 640 . 1 1 60 60 GLU CA C 13 58.434 0.02 . 1 . 602 . . 60 GLU CA . 18955 1 641 . 1 1 60 60 GLU CB C 13 28.637 0.015 . 1 . 603 . . 60 GLU CB . 18955 1 642 . 1 1 60 60 GLU CG C 13 34.678 0.039 . 1 . 604 . . 60 GLU CG . 18955 1 643 . 1 1 60 60 GLU N N 15 120.635 0.016 . 1 . 611 . . 60 GLU N . 18955 1 644 . 1 1 61 61 MET H H 1 8.600 0.005 . 1 . 617 . . 61 MET H . 18955 1 645 . 1 1 61 61 MET HA H 1 3.773 0.007 . 1 . 618 . . 61 MET HA . 18955 1 646 . 1 1 61 61 MET HB2 H 1 2.179 0.001 . 1 . 619 . . 61 MET HB2 . 18955 1 647 . 1 1 61 61 MET HG2 H 1 2.500 0.007 . 2 . 621 . . 61 MET HG2 . 18955 1 648 . 1 1 61 61 MET HG3 H 1 2.212 0.007 . 2 . 622 . . 61 MET HG3 . 18955 1 649 . 1 1 61 61 MET HE1 H 1 2.182 0.003 . 1 . 620 . . 61 MET HE1 . 18955 1 650 . 1 1 61 61 MET HE2 H 1 2.182 0.003 . 1 . 620 . . 61 MET HE2 . 18955 1 651 . 1 1 61 61 MET HE3 H 1 2.182 0.003 . 1 . 620 . . 61 MET HE3 . 18955 1 652 . 1 1 61 61 MET C C 13 178.644 . . 1 . 612 . . 61 MET C . 18955 1 653 . 1 1 61 61 MET CA C 13 59.284 0.019 . 1 . 613 . . 61 MET CA . 18955 1 654 . 1 1 61 61 MET CB C 13 33.511 0.056 . 1 . 614 . . 61 MET CB . 18955 1 655 . 1 1 61 61 MET CG C 13 31.746 0.021 . 1 . 616 . . 61 MET CG . 18955 1 656 . 1 1 61 61 MET CE C 13 16.809 . . 1 . 615 . . 61 MET CE . 18955 1 657 . 1 1 61 61 MET N N 15 119.856 0.034 . 1 . 623 . . 61 MET N . 18955 1 658 . 1 1 62 62 GLU H H 1 7.915 0.005 . 1 . 628 . . 62 GLU H . 18955 1 659 . 1 1 62 62 GLU HA H 1 4.180 0.003 . 1 . 629 . . 62 GLU HA . 18955 1 660 . 1 1 62 62 GLU HB2 H 1 2.180 0.004 . 1 . 630 . . 62 GLU HB2 . 18955 1 661 . 1 1 62 62 GLU HG2 H 1 2.343 0.007 . 2 . 631 . . 62 GLU HG2 . 18955 1 662 . 1 1 62 62 GLU HG3 H 1 2.434 0.008 . 2 . 632 . . 62 GLU HG3 . 18955 1 663 . 1 1 62 62 GLU C C 13 178.738 . . 1 . 624 . . 62 GLU C . 18955 1 664 . 1 1 62 62 GLU CA C 13 58.935 0.033 . 1 . 625 . . 62 GLU CA . 18955 1 665 . 1 1 62 62 GLU CB C 13 29.352 . . 1 . 626 . . 62 GLU CB . 18955 1 666 . 1 1 62 62 GLU CG C 13 36.048 0.008 . 1 . 627 . . 62 GLU CG . 18955 1 667 . 1 1 62 62 GLU N N 15 118.998 0.024 . 1 . 633 . . 62 GLU N . 18955 1 668 . 1 1 63 63 ARG H H 1 8.040 0.003 . 1 . 639 . . 63 ARG H . 18955 1 669 . 1 1 63 63 ARG HA H 1 4.164 0.003 . 1 . 640 . . 63 ARG HA . 18955 1 670 . 1 1 63 63 ARG HB2 H 1 2.051 0.001 . 2 . 641 . . 63 ARG HB2 . 18955 1 671 . 1 1 63 63 ARG HB3 H 1 1.966 0.002 . 2 . 642 . . 63 ARG HB3 . 18955 1 672 . 1 1 63 63 ARG HG2 H 1 1.796 . . 2 . 646 . . 63 ARG HG2 . 18955 1 673 . 1 1 63 63 ARG HG3 H 1 1.732 0.001 . 2 . 647 . . 63 ARG HG3 . 18955 1 674 . 1 1 63 63 ARG HD2 H 1 3.255 0.011 . 2 . 643 . . 63 ARG HD2 . 18955 1 675 . 1 1 63 63 ARG HD3 H 1 3.225 0.006 . 2 . 644 . . 63 ARG HD3 . 18955 1 676 . 1 1 63 63 ARG HE H 1 7.521 0.002 . 1 . 645 . . 63 ARG HE . 18955 1 677 . 1 1 63 63 ARG C C 13 178.988 . . 1 . 634 . . 63 ARG C . 18955 1 678 . 1 1 63 63 ARG CA C 13 58.917 0.063 . 1 . 635 . . 63 ARG CA . 18955 1 679 . 1 1 63 63 ARG CB C 13 30.409 0.007 . 1 . 636 . . 63 ARG CB . 18955 1 680 . 1 1 63 63 ARG CG C 13 27.183 0.007 . 1 . 638 . . 63 ARG CG . 18955 1 681 . 1 1 63 63 ARG CD C 13 43.161 0.001 . 1 . 637 . . 63 ARG CD . 18955 1 682 . 1 1 63 63 ARG N N 15 118.688 0.031 . 1 . 648 . . 63 ARG N . 18955 1 683 . 1 1 63 63 ARG NE N 15 83.202 . . 1 . 649 . . 63 ARG NE . 18955 1 684 . 1 1 64 64 THR H H 1 7.993 0.003 . 1 . 654 . . 64 THR H . 18955 1 685 . 1 1 64 64 THR HA H 1 4.148 0.003 . 1 . 655 . . 64 THR HA . 18955 1 686 . 1 1 64 64 THR HB H 1 4.211 0.004 . 1 . 656 . . 64 THR HB . 18955 1 687 . 1 1 64 64 THR HG21 H 1 1.145 0.003 . 1 . 657 . . 64 THR HG21 . 18955 1 688 . 1 1 64 64 THR HG22 H 1 1.145 0.003 . 1 . 657 . . 64 THR HG22 . 18955 1 689 . 1 1 64 64 THR HG23 H 1 1.145 0.003 . 1 . 657 . . 64 THR HG23 . 18955 1 690 . 1 1 64 64 THR C C 13 175.944 . . 1 . 650 . . 64 THR C . 18955 1 691 . 1 1 64 64 THR CA C 13 64.483 0.039 . 1 . 651 . . 64 THR CA . 18955 1 692 . 1 1 64 64 THR CB C 13 69.121 0.042 . 1 . 652 . . 64 THR CB . 18955 1 693 . 1 1 64 64 THR CG2 C 13 21.578 . . 1 . 653 . . 64 THR CG2 . 18955 1 694 . 1 1 64 64 THR N N 15 111.795 0.05 . 1 . 658 . . 64 THR N . 18955 1 695 . 1 1 65 65 ARG H H 1 7.874 0.003 . 1 . 664 . . 65 ARG H . 18955 1 696 . 1 1 65 65 ARG HA H 1 4.199 0.003 . 1 . 665 . . 65 ARG HA . 18955 1 697 . 1 1 65 65 ARG HB2 H 1 1.996 0.003 . 1 . 666 . . 65 ARG HB2 . 18955 1 698 . 1 1 65 65 ARG HG2 H 1 1.771 0.005 . 2 . 669 . . 65 ARG HG2 . 18955 1 699 . 1 1 65 65 ARG HG3 H 1 1.648 0.002 . 2 . 670 . . 65 ARG HG3 . 18955 1 700 . 1 1 65 65 ARG HD2 H 1 3.268 0.007 . 2 . 667 . . 65 ARG HD2 . 18955 1 701 . 1 1 65 65 ARG HD3 H 1 3.230 0.004 . 2 . 668 . . 65 ARG HD3 . 18955 1 702 . 1 1 65 65 ARG C C 13 178.125 . . 1 . 659 . . 65 ARG C . 18955 1 703 . 1 1 65 65 ARG CA C 13 58.450 . . 1 . 660 . . 65 ARG CA . 18955 1 704 . 1 1 65 65 ARG CB C 13 29.950 . . 1 . 661 . . 65 ARG CB . 18955 1 705 . 1 1 65 65 ARG CG C 13 27.197 0.011 . 1 . 663 . . 65 ARG CG . 18955 1 706 . 1 1 65 65 ARG CD C 13 43.240 0.006 . 1 . 662 . . 65 ARG CD . 18955 1 707 . 1 1 65 65 ARG N N 15 121.442 0.043 . 1 . 671 . . 65 ARG N . 18955 1 708 . 1 1 66 66 GLU H H 1 8.341 0.003 . 1 . 676 . . 66 GLU H . 18955 1 709 . 1 1 66 66 GLU HA H 1 4.155 0.007 . 1 . 677 . . 66 GLU HA . 18955 1 710 . 1 1 66 66 GLU HB2 H 1 2.065 0.002 . 1 . 678 . . 66 GLU HB2 . 18955 1 711 . 1 1 66 66 GLU HG2 H 1 2.348 0.002 . 2 . 679 . . 66 GLU HG2 . 18955 1 712 . 1 1 66 66 GLU HG3 H 1 2.274 0.002 . 2 . 680 . . 66 GLU HG3 . 18955 1 713 . 1 1 66 66 GLU C C 13 178.415 . . 1 . 672 . . 66 GLU C . 18955 1 714 . 1 1 66 66 GLU CA C 13 58.461 0.005 . 1 . 673 . . 66 GLU CA . 18955 1 715 . 1 1 66 66 GLU CB C 13 29.625 0.006 . 1 . 674 . . 66 GLU CB . 18955 1 716 . 1 1 66 66 GLU CG C 13 36.175 0.013 . 1 . 675 . . 66 GLU CG . 18955 1 717 . 1 1 66 66 GLU N N 15 119.614 0.029 . 1 . 681 . . 66 GLU N . 18955 1 718 . 1 1 67 67 GLU H H 1 8.356 0.009 . 1 . 686 . . 67 GLU H . 18955 1 719 . 1 1 67 67 GLU HA H 1 4.145 0.005 . 1 . 687 . . 67 GLU HA . 18955 1 720 . 1 1 67 67 GLU HG2 H 1 2.318 0.003 . 1 . 688 . . 67 GLU HG2 . 18955 1 721 . 1 1 67 67 GLU C C 13 178.145 . . 1 . 682 . . 67 GLU C . 18955 1 722 . 1 1 67 67 GLU CA C 13 58.442 0.009 . 1 . 683 . . 67 GLU CA . 18955 1 723 . 1 1 67 67 GLU CB C 13 29.473 . . 1 . 684 . . 67 GLU CB . 18955 1 724 . 1 1 67 67 GLU CG C 13 36.158 0.005 . 1 . 685 . . 67 GLU CG . 18955 1 725 . 1 1 67 67 GLU N N 15 119.719 0.037 . 1 . 689 . . 67 GLU N . 18955 1 726 . 1 1 68 68 PHE H H 1 8.088 0.003 . 1 . 693 . . 68 PHE H . 18955 1 727 . 1 1 68 68 PHE HA H 1 4.495 0.004 . 1 . 694 . . 68 PHE HA . 18955 1 728 . 1 1 68 68 PHE HB2 H 1 3.262 0.006 . 2 . 695 . . 68 PHE HB2 . 18955 1 729 . 1 1 68 68 PHE HB3 H 1 3.214 0.002 . 2 . 696 . . 68 PHE HB3 . 18955 1 730 . 1 1 68 68 PHE HD1 H 1 7.290 0.007 . 3 . 697 . . 68 PHE HD1 . 18955 1 731 . 1 1 68 68 PHE HD2 H 1 7.290 0.007 . 3 . 698 . . 68 PHE HD2 . 18955 1 732 . 1 1 68 68 PHE HE1 H 1 7.347 0.002 . 3 . 699 . . 68 PHE HE1 . 18955 1 733 . 1 1 68 68 PHE HE2 H 1 7.347 0.002 . 3 . 700 . . 68 PHE HE2 . 18955 1 734 . 1 1 68 68 PHE C C 13 177.254 . . 1 . 690 . . 68 PHE C . 18955 1 735 . 1 1 68 68 PHE CA C 13 59.525 0.049 . 1 . 691 . . 68 PHE CA . 18955 1 736 . 1 1 68 68 PHE CB C 13 39.101 0.049 . 1 . 692 . . 68 PHE CB . 18955 1 737 . 1 1 68 68 PHE N N 15 118.635 0.027 . 1 . 701 . . 68 PHE N . 18955 1 738 . 1 1 69 69 GLN H H 1 8.210 0.003 . 1 . 706 . . 69 GLN H . 18955 1 739 . 1 1 69 69 GLN HA H 1 4.144 0.009 . 1 . 707 . . 69 GLN HA . 18955 1 740 . 1 1 69 69 GLN HB2 H 1 2.174 0.003 . 1 . 708 . . 69 GLN HB2 . 18955 1 741 . 1 1 69 69 GLN HG2 H 1 2.514 0.003 . 2 . 711 . . 69 GLN HG2 . 18955 1 742 . 1 1 69 69 GLN HG3 H 1 2.479 0.007 . 2 . 712 . . 69 GLN HG3 . 18955 1 743 . 1 1 69 69 GLN HE21 H 1 7.558 0.003 . 1 . 709 . . 69 GLN HE21 . 18955 1 744 . 1 1 69 69 GLN HE22 H 1 6.965 0.002 . 1 . 710 . . 69 GLN HE22 . 18955 1 745 . 1 1 69 69 GLN C C 13 177.426 . . 1 . 702 . . 69 GLN C . 18955 1 746 . 1 1 69 69 GLN CA C 13 57.254 0.019 . 1 . 703 . . 69 GLN CA . 18955 1 747 . 1 1 69 69 GLN CB C 13 28.713 0.014 . 1 . 704 . . 69 GLN CB . 18955 1 748 . 1 1 69 69 GLN CG C 13 33.854 0.037 . 1 . 705 . . 69 GLN CG . 18955 1 749 . 1 1 69 69 GLN N N 15 118.195 0.026 . 1 . 713 . . 69 GLN N . 18955 1 750 . 1 1 69 69 GLN NE2 N 15 110.956 0.006 . 1 . 714 . . 69 GLN NE2 . 18955 1 751 . 1 1 70 70 LYS H H 1 8.088 0.004 . 1 . 720 . . 70 LYS H . 18955 1 752 . 1 1 70 70 LYS HA H 1 4.190 0.002 . 1 . 721 . . 70 LYS HA . 18955 1 753 . 1 1 70 70 LYS HB2 H 1 1.893 0.001 . 2 . 722 . . 70 LYS HB2 . 18955 1 754 . 1 1 70 70 LYS HB3 H 1 1.839 0.001 . 2 . 723 . . 70 LYS HB3 . 18955 1 755 . 1 1 70 70 LYS HG2 H 1 1.530 0.006 . 2 . 726 . . 70 LYS HG2 . 18955 1 756 . 1 1 70 70 LYS HG3 H 1 1.466 0.001 . 2 . 727 . . 70 LYS HG3 . 18955 1 757 . 1 1 70 70 LYS HD2 H 1 1.692 . . 1 . 724 . . 70 LYS HD2 . 18955 1 758 . 1 1 70 70 LYS HE2 H 1 3.232 . . 1 . 725 . . 70 LYS HE2 . 18955 1 759 . 1 1 70 70 LYS C C 13 177.603 . . 1 . 715 . . 70 LYS C . 18955 1 760 . 1 1 70 70 LYS CA C 13 57.691 0.023 . 1 . 716 . . 70 LYS CA . 18955 1 761 . 1 1 70 70 LYS CB C 13 32.616 0.014 . 1 . 717 . . 70 LYS CB . 18955 1 762 . 1 1 70 70 LYS CG C 13 25.074 0.006 . 1 . 719 . . 70 LYS CG . 18955 1 763 . 1 1 70 70 LYS CE C 13 43.313 . . 1 . 718 . . 70 LYS CE . 18955 1 764 . 1 1 70 70 LYS N N 15 119.919 0.019 . 1 . 728 . . 70 LYS N . 18955 1 765 . 1 1 71 71 ARG H H 1 8.007 0.005 . 1 . 734 . . 71 ARG H . 18955 1 766 . 1 1 71 71 ARG HA H 1 4.256 0.007 . 1 . 735 . . 71 ARG HA . 18955 1 767 . 1 1 71 71 ARG HB2 H 1 1.852 0.006 . 1 . 736 . . 71 ARG HB2 . 18955 1 768 . 1 1 71 71 ARG HG2 H 1 1.619 0.001 . 2 . 738 . . 71 ARG HG2 . 18955 1 769 . 1 1 71 71 ARG HG3 H 1 1.740 . . 2 . 739 . . 71 ARG HG3 . 18955 1 770 . 1 1 71 71 ARG HD2 H 1 3.204 0.006 . 1 . 737 . . 71 ARG HD2 . 18955 1 771 . 1 1 71 71 ARG C C 13 177.510 . . 1 . 729 . . 71 ARG C . 18955 1 772 . 1 1 71 71 ARG CA C 13 57.060 0.012 . 1 . 730 . . 71 ARG CA . 18955 1 773 . 1 1 71 71 ARG CB C 13 30.438 0.018 . 1 . 731 . . 71 ARG CB . 18955 1 774 . 1 1 71 71 ARG CG C 13 26.993 0.006 . 1 . 733 . . 71 ARG CG . 18955 1 775 . 1 1 71 71 ARG CD C 13 43.263 0.008 . 1 . 732 . . 71 ARG CD . 18955 1 776 . 1 1 71 71 ARG N N 15 118.811 0.028 . 1 . 740 . . 71 ARG N . 18955 1 777 . 1 1 72 72 LYS H H 1 8.104 0.009 . 1 . 747 . . 72 LYS H . 18955 1 778 . 1 1 72 72 LYS HA H 1 4.111 0.002 . 1 . 748 . . 72 LYS HA . 18955 1 779 . 1 1 72 72 LYS HB2 H 1 1.818 0.002 . 2 . 749 . . 72 LYS HB2 . 18955 1 780 . 1 1 72 72 LYS HB3 H 1 1.745 0.001 . 2 . 750 . . 72 LYS HB3 . 18955 1 781 . 1 1 72 72 LYS HG2 H 1 1.441 0.002 . 2 . 753 . . 72 LYS HG2 . 18955 1 782 . 1 1 72 72 LYS HG3 H 1 1.383 0.001 . 2 . 754 . . 72 LYS HG3 . 18955 1 783 . 1 1 72 72 LYS HD2 H 1 1.689 . . 1 . 751 . . 72 LYS HD2 . 18955 1 784 . 1 1 72 72 LYS HE2 H 1 2.982 0.004 . 1 . 752 . . 72 LYS HE2 . 18955 1 785 . 1 1 72 72 LYS C C 13 177.457 . . 1 . 741 . . 72 LYS C . 18955 1 786 . 1 1 72 72 LYS CA C 13 57.534 0.013 . 1 . 742 . . 72 LYS CA . 18955 1 787 . 1 1 72 72 LYS CB C 13 32.441 0.01 . 1 . 743 . . 72 LYS CB . 18955 1 788 . 1 1 72 72 LYS CG C 13 24.621 0.01 . 1 . 746 . . 72 LYS CG . 18955 1 789 . 1 1 72 72 LYS CD C 13 29.355 0.011 . 1 . 744 . . 72 LYS CD . 18955 1 790 . 1 1 72 72 LYS CE C 13 41.957 . . 1 . 745 . . 72 LYS CE . 18955 1 791 . 1 1 72 72 LYS N N 15 120.410 0.015 . 1 . 755 . . 72 LYS N . 18955 1 792 . 1 1 73 73 ALA H H 1 8.150 0.008 . 1 . 759 . . 73 ALA H . 18955 1 793 . 1 1 73 73 ALA HA H 1 4.218 0.007 . 1 . 760 . . 73 ALA HA . 18955 1 794 . 1 1 73 73 ALA HB1 H 1 1.440 0.006 . 1 . 761 . . 73 ALA HB1 . 18955 1 795 . 1 1 73 73 ALA HB2 H 1 1.440 0.006 . 1 . 761 . . 73 ALA HB2 . 18955 1 796 . 1 1 73 73 ALA HB3 H 1 1.440 0.006 . 1 . 761 . . 73 ALA HB3 . 18955 1 797 . 1 1 73 73 ALA C C 13 178.857 . . 1 . 756 . . 73 ALA C . 18955 1 798 . 1 1 73 73 ALA CA C 13 53.421 0.06 . 1 . 757 . . 73 ALA CA . 18955 1 799 . 1 1 73 73 ALA CB C 13 18.686 0.03 . 1 . 758 . . 73 ALA CB . 18955 1 800 . 1 1 73 73 ALA N N 15 122.568 0.027 . 1 . 762 . . 73 ALA N . 18955 1 801 . 1 1 74 74 ASP H H 1 8.262 0.004 . 1 . 766 . . 74 ASP H . 18955 1 802 . 1 1 74 74 ASP HA H 1 4.534 0.005 . 1 . 767 . . 74 ASP HA . 18955 1 803 . 1 1 74 74 ASP HB2 H 1 2.706 0.004 . 2 . 768 . . 74 ASP HB2 . 18955 1 804 . 1 1 74 74 ASP HB3 H 1 2.677 0.001 . 2 . 769 . . 74 ASP HB3 . 18955 1 805 . 1 1 74 74 ASP C C 13 177.587 . . 1 . 763 . . 74 ASP C . 18955 1 806 . 1 1 74 74 ASP CA C 13 55.164 0.027 . 1 . 764 . . 74 ASP CA . 18955 1 807 . 1 1 74 74 ASP CB C 13 40.703 0.041 . 1 . 765 . . 74 ASP CB . 18955 1 808 . 1 1 74 74 ASP N N 15 118.608 0.033 . 1 . 770 . . 74 ASP N . 18955 1 809 . 1 1 75 75 LEU H H 1 8.049 0.007 . 1 . 777 . . 75 LEU H . 18955 1 810 . 1 1 75 75 LEU HA H 1 4.244 0.002 . 1 . 778 . . 75 LEU HA . 18955 1 811 . 1 1 75 75 LEU HB2 H 1 1.726 . . 2 . 779 . . 75 LEU HB2 . 18955 1 812 . 1 1 75 75 LEU HB3 H 1 1.619 . . 2 . 780 . . 75 LEU HB3 . 18955 1 813 . 1 1 75 75 LEU HG H 1 1.699 . . 1 . 783 . . 75 LEU HG . 18955 1 814 . 1 1 75 75 LEU HD11 H 1 0.939 0.006 . 2 . 781 . . 75 LEU HD11 . 18955 1 815 . 1 1 75 75 LEU HD12 H 1 0.939 0.006 . 2 . 781 . . 75 LEU HD12 . 18955 1 816 . 1 1 75 75 LEU HD13 H 1 0.939 0.006 . 2 . 781 . . 75 LEU HD13 . 18955 1 817 . 1 1 75 75 LEU HD21 H 1 0.891 0.003 . 2 . 782 . . 75 LEU HD21 . 18955 1 818 . 1 1 75 75 LEU HD22 H 1 0.891 0.003 . 2 . 782 . . 75 LEU HD22 . 18955 1 819 . 1 1 75 75 LEU HD23 H 1 0.891 0.003 . 2 . 782 . . 75 LEU HD23 . 18955 1 820 . 1 1 75 75 LEU C C 13 178.531 . . 1 . 771 . . 75 LEU C . 18955 1 821 . 1 1 75 75 LEU CA C 13 56.237 0.01 . 1 . 772 . . 75 LEU CA . 18955 1 822 . 1 1 75 75 LEU CB C 13 41.952 . . 1 . 773 . . 75 LEU CB . 18955 1 823 . 1 1 75 75 LEU CG C 13 26.796 . . 1 . 776 . . 75 LEU CG . 18955 1 824 . 1 1 75 75 LEU CD1 C 13 24.846 0.037 . 2 . 774 . . 75 LEU CD1 . 18955 1 825 . 1 1 75 75 LEU CD2 C 13 23.214 0.033 . 2 . 775 . . 75 LEU CD2 . 18955 1 826 . 1 1 75 75 LEU N N 15 121.007 0.006 . 1 . 784 . . 75 LEU N . 18955 1 827 . 1 1 76 76 LEU H H 1 8.019 0.006 . 1 . 791 . . 76 LEU H . 18955 1 828 . 1 1 76 76 LEU HA H 1 4.279 0.003 . 1 . 792 . . 76 LEU HA . 18955 1 829 . 1 1 76 76 LEU HB2 H 1 1.732 . . 2 . 793 . . 76 LEU HB2 . 18955 1 830 . 1 1 76 76 LEU HB3 H 1 1.618 . . 2 . 794 . . 76 LEU HB3 . 18955 1 831 . 1 1 76 76 LEU HG H 1 1.706 . . 1 . 797 . . 76 LEU HG . 18955 1 832 . 1 1 76 76 LEU HD11 H 1 0.942 0.002 . 2 . 795 . . 76 LEU HD11 . 18955 1 833 . 1 1 76 76 LEU HD12 H 1 0.942 0.002 . 2 . 795 . . 76 LEU HD12 . 18955 1 834 . 1 1 76 76 LEU HD13 H 1 0.942 0.002 . 2 . 795 . . 76 LEU HD13 . 18955 1 835 . 1 1 76 76 LEU HD21 H 1 0.888 0.008 . 2 . 796 . . 76 LEU HD21 . 18955 1 836 . 1 1 76 76 LEU HD22 H 1 0.888 0.008 . 2 . 796 . . 76 LEU HD22 . 18955 1 837 . 1 1 76 76 LEU HD23 H 1 0.888 0.008 . 2 . 796 . . 76 LEU HD23 . 18955 1 838 . 1 1 76 76 LEU C C 13 177.935 . . 1 . 785 . . 76 LEU C . 18955 1 839 . 1 1 76 76 LEU CA C 13 55.610 0.01 . 1 . 786 . . 76 LEU CA . 18955 1 840 . 1 1 76 76 LEU CB C 13 41.864 . . 1 . 787 . . 76 LEU CB . 18955 1 841 . 1 1 76 76 LEU CG C 13 26.779 . . 1 . 790 . . 76 LEU CG . 18955 1 842 . 1 1 76 76 LEU CD1 C 13 24.744 0.002 . 2 . 788 . . 76 LEU CD1 . 18955 1 843 . 1 1 76 76 LEU CD2 C 13 23.125 0.007 . 2 . 789 . . 76 LEU CD2 . 18955 1 844 . 1 1 76 76 LEU N N 15 119.983 0.011 . 1 . 798 . . 76 LEU N . 18955 1 845 . 1 1 77 77 ALA H H 1 7.902 0.005 . 1 . 802 . . 77 ALA H . 18955 1 846 . 1 1 77 77 ALA HA H 1 4.275 0.016 . 1 . 803 . . 77 ALA HA . 18955 1 847 . 1 1 77 77 ALA HB1 H 1 1.430 0.008 . 1 . 804 . . 77 ALA HB1 . 18955 1 848 . 1 1 77 77 ALA HB2 H 1 1.430 0.008 . 1 . 804 . . 77 ALA HB2 . 18955 1 849 . 1 1 77 77 ALA HB3 H 1 1.430 0.008 . 1 . 804 . . 77 ALA HB3 . 18955 1 850 . 1 1 77 77 ALA C C 13 177.779 . . 1 . 799 . . 77 ALA C . 18955 1 851 . 1 1 77 77 ALA CA C 13 52.643 0.003 . 1 . 800 . . 77 ALA CA . 18955 1 852 . 1 1 77 77 ALA CB C 13 18.871 0.007 . 1 . 801 . . 77 ALA CB . 18955 1 853 . 1 1 77 77 ALA N N 15 122.294 0.013 . 1 . 805 . . 77 ALA N . 18955 1 854 . 1 1 78 78 ALA H H 1 7.962 0.006 . 1 . 809 . . 78 ALA H . 18955 1 855 . 1 1 78 78 ALA HA H 1 4.286 0.013 . 1 . 810 . . 78 ALA HA . 18955 1 856 . 1 1 78 78 ALA HB1 H 1 1.430 0.005 . 1 . 811 . . 78 ALA HB1 . 18955 1 857 . 1 1 78 78 ALA HB2 H 1 1.430 0.005 . 1 . 811 . . 78 ALA HB2 . 18955 1 858 . 1 1 78 78 ALA HB3 H 1 1.430 0.005 . 1 . 811 . . 78 ALA HB3 . 18955 1 859 . 1 1 78 78 ALA C C 13 177.803 . . 1 . 806 . . 78 ALA C . 18955 1 860 . 1 1 78 78 ALA CA C 13 52.410 0.015 . 1 . 807 . . 78 ALA CA . 18955 1 861 . 1 1 78 78 ALA CB C 13 19.016 0.003 . 1 . 808 . . 78 ALA CB . 18955 1 862 . 1 1 78 78 ALA N N 15 121.292 0.012 . 1 . 812 . . 78 ALA N . 18955 1 863 . 1 1 79 79 LYS H H 1 8.129 0.006 . 1 . 819 . . 79 LYS H . 18955 1 864 . 1 1 79 79 LYS HA H 1 4.319 0.002 . 1 . 820 . . 79 LYS HA . 18955 1 865 . 1 1 79 79 LYS HB2 H 1 1.890 0.001 . 2 . 821 . . 79 LYS HB2 . 18955 1 866 . 1 1 79 79 LYS HB3 H 1 1.788 0.002 . 2 . 822 . . 79 LYS HB3 . 18955 1 867 . 1 1 79 79 LYS HG2 H 1 1.493 0.003 . 2 . 825 . . 79 LYS HG2 . 18955 1 868 . 1 1 79 79 LYS HG3 H 1 1.463 0.001 . 2 . 826 . . 79 LYS HG3 . 18955 1 869 . 1 1 79 79 LYS HD2 H 1 1.697 0.004 . 1 . 823 . . 79 LYS HD2 . 18955 1 870 . 1 1 79 79 LYS HE2 H 1 3.016 0.003 . 1 . 824 . . 79 LYS HE2 . 18955 1 871 . 1 1 79 79 LYS C C 13 175.865 . . 1 . 813 . . 79 LYS C . 18955 1 872 . 1 1 79 79 LYS CA C 13 56.244 0.007 . 1 . 814 . . 79 LYS CA . 18955 1 873 . 1 1 79 79 LYS CB C 13 32.721 0.004 . 1 . 815 . . 79 LYS CB . 18955 1 874 . 1 1 79 79 LYS CG C 13 24.575 0.02 . 1 . 818 . . 79 LYS CG . 18955 1 875 . 1 1 79 79 LYS CD C 13 28.950 0.01 . 1 . 816 . . 79 LYS CD . 18955 1 876 . 1 1 79 79 LYS CE C 13 41.949 . . 1 . 817 . . 79 LYS CE . 18955 1 877 . 1 1 79 79 LYS N N 15 119.995 0.021 . 1 . 827 . . 79 LYS N . 18955 1 878 . 1 1 80 80 ARG H H 1 7.968 0.005 . 1 . 829 . . 80 ARG H . 18955 1 879 . 1 1 80 80 ARG HA H 1 4.205 . . 1 . 830 . . 80 ARG HA . 18955 1 880 . 1 1 80 80 ARG CA C 13 57.349 . . 1 . 828 . . 80 ARG CA . 18955 1 881 . 1 1 80 80 ARG N N 15 127.149 0.016 . 1 . 831 . . 80 ARG N . 18955 1 stop_ save_