data_25914 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25914 _Entry.Title ; Solution structure of RNF126 N-terminal zinc finger domain in complex with BAG6 Ubiquitin-like domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-12-01 _Entry.Accession_date 2015-12-01 _Entry.Last_release_date 2016-05-23 _Entry.Original_release_date 2016-05-23 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _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.ORCID _Entry_author.Entry_ID 1 Santiago Martinez-Lumbreras . . . . 25914 2 Ewelina Krysztofinska . M. . . 25914 3 Arjun Thapaliya . . . . 25914 4 Rivka Isaacson . L. . . 25914 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' . 25914 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID BAG6 . 25914 'E3 ligase' . 25914 RNF126 . 25914 UBL . 25914 'zinc finger' . 25914 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 25914 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 548 25914 '15N chemical shifts' 136 25914 '1H chemical shifts' 862 25914 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2016-05-23 . original BMRB . 25914 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25913 'RNF126 N-terminal zinc finger domain' 25914 PDB 2N9P 'BMRB Entry Tracking System' 25914 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25914 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27193484 _Citation.Full_citation . _Citation.Title ; Structural and functional insights into the E3 ligase, RNF126 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full . _Citation.Journal_volume 6 _Citation.Journal_issue . _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 26433 _Citation.Page_last 26433 _Citation.Year 2016 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Ewelina Krysztofinska . M. . . 25914 1 2 Santiago Martinez-Lumbreras . . . . 25914 1 3 Arjun Thapaliya . . . . 25914 1 4 Nicola Evans . J. . . 25914 1 5 Stephen High . . . . 25914 1 6 Rivka Isaacson . L. . . 25914 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25914 _Assembly.ID 1 _Assembly.Name 'RNF126 N-terminal zinc finger domain in complex with BAG6 Ubiquitin-like domain' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A . yes native no no . . . 25914 1 2 entity_2 2 $entity_2 B . yes native no no . . . 25914 1 3 'ZINC ION' 3 $entity_ZN C . no native no no . . . 25914 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 25914 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSMAEASPHPGRYFCHCCSV EIVPRLPDYICPRCESGFIE EL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details "'GS' correspond to TEV cleavage tag" _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 42 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'other bound and free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'N-terminal zinc finger domain of RNF126 (1-40)' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4705.417 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -1 GLY . 25914 1 2 0 SER . 25914 1 3 1 MET . 25914 1 4 2 ALA . 25914 1 5 3 GLU . 25914 1 6 4 ALA . 25914 1 7 5 SER . 25914 1 8 6 PRO . 25914 1 9 7 HIS . 25914 1 10 8 PRO . 25914 1 11 9 GLY . 25914 1 12 10 ARG . 25914 1 13 11 TYR . 25914 1 14 12 PHE . 25914 1 15 13 CYS . 25914 1 16 14 HIS . 25914 1 17 15 CYS . 25914 1 18 16 CYS . 25914 1 19 17 SER . 25914 1 20 18 VAL . 25914 1 21 19 GLU . 25914 1 22 20 ILE . 25914 1 23 21 VAL . 25914 1 24 22 PRO . 25914 1 25 23 ARG . 25914 1 26 24 LEU . 25914 1 27 25 PRO . 25914 1 28 26 ASP . 25914 1 29 27 TYR . 25914 1 30 28 ILE . 25914 1 31 29 CYS . 25914 1 32 30 PRO . 25914 1 33 31 ARG . 25914 1 34 32 CYS . 25914 1 35 33 GLU . 25914 1 36 34 SER . 25914 1 37 35 GLY . 25914 1 38 36 PHE . 25914 1 39 37 ILE . 25914 1 40 38 GLU . 25914 1 41 39 GLU . 25914 1 42 40 LEU . 25914 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 25914 1 . SER 2 2 25914 1 . MET 3 3 25914 1 . ALA 4 4 25914 1 . GLU 5 5 25914 1 . ALA 6 6 25914 1 . SER 7 7 25914 1 . PRO 8 8 25914 1 . HIS 9 9 25914 1 . PRO 10 10 25914 1 . GLY 11 11 25914 1 . ARG 12 12 25914 1 . TYR 13 13 25914 1 . PHE 14 14 25914 1 . CYS 15 15 25914 1 . HIS 16 16 25914 1 . CYS 17 17 25914 1 . CYS 18 18 25914 1 . SER 19 19 25914 1 . VAL 20 20 25914 1 . GLU 21 21 25914 1 . ILE 22 22 25914 1 . VAL 23 23 25914 1 . PRO 24 24 25914 1 . ARG 25 25 25914 1 . LEU 26 26 25914 1 . PRO 27 27 25914 1 . ASP 28 28 25914 1 . TYR 29 29 25914 1 . ILE 30 30 25914 1 . CYS 31 31 25914 1 . PRO 32 32 25914 1 . ARG 33 33 25914 1 . CYS 34 34 25914 1 . GLU 35 35 25914 1 . SER 36 36 25914 1 . GLY 37 37 25914 1 . PHE 38 38 25914 1 . ILE 39 39 25914 1 . GLU 40 40 25914 1 . GLU 41 41 25914 1 . LEU 42 42 25914 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 25914 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID C _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAHHHHHHVDDDDKMLEVLV KTLDSQTRTFIVGAQMNVKE FKEHIAASVSIPSEKQRLIY QGRVLQDDKKLQEYNVGGKV IHLVERAPPQTHLPSGASSG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details "'MAHHHHHHDDDDKM' correspond to His-tag" _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 100 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'UBL domain of BAG6 (17-101)' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11276.897 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 2 MET . 25914 2 2 3 ALA . 25914 2 3 4 HIS . 25914 2 4 5 HIS . 25914 2 5 6 HIS . 25914 2 6 7 HIS . 25914 2 7 8 HIS . 25914 2 8 9 HIS . 25914 2 9 10 VAL . 25914 2 10 11 ASP . 25914 2 11 12 ASP . 25914 2 12 13 ASP . 25914 2 13 14 ASP . 25914 2 14 15 LYS . 25914 2 15 16 MET . 25914 2 16 17 LEU . 25914 2 17 18 GLU . 25914 2 18 19 VAL . 25914 2 19 20 LEU . 25914 2 20 21 VAL . 25914 2 21 22 LYS . 25914 2 22 23 THR . 25914 2 23 24 LEU . 25914 2 24 25 ASP . 25914 2 25 26 SER . 25914 2 26 27 GLN . 25914 2 27 28 THR . 25914 2 28 29 ARG . 25914 2 29 30 THR . 25914 2 30 31 PHE . 25914 2 31 32 ILE . 25914 2 32 33 VAL . 25914 2 33 34 GLY . 25914 2 34 35 ALA . 25914 2 35 36 GLN . 25914 2 36 37 MET . 25914 2 37 38 ASN . 25914 2 38 39 VAL . 25914 2 39 40 LYS . 25914 2 40 41 GLU . 25914 2 41 42 PHE . 25914 2 42 43 LYS . 25914 2 43 44 GLU . 25914 2 44 45 HIS . 25914 2 45 46 ILE . 25914 2 46 47 ALA . 25914 2 47 48 ALA . 25914 2 48 49 SER . 25914 2 49 50 VAL . 25914 2 50 51 SER . 25914 2 51 52 ILE . 25914 2 52 53 PRO . 25914 2 53 54 SER . 25914 2 54 55 GLU . 25914 2 55 56 LYS . 25914 2 56 57 GLN . 25914 2 57 58 ARG . 25914 2 58 59 LEU . 25914 2 59 60 ILE . 25914 2 60 61 TYR . 25914 2 61 62 GLN . 25914 2 62 63 GLY . 25914 2 63 64 ARG . 25914 2 64 65 VAL . 25914 2 65 66 LEU . 25914 2 66 67 GLN . 25914 2 67 68 ASP . 25914 2 68 69 ASP . 25914 2 69 70 LYS . 25914 2 70 71 LYS . 25914 2 71 72 LEU . 25914 2 72 73 GLN . 25914 2 73 74 GLU . 25914 2 74 75 TYR . 25914 2 75 76 ASN . 25914 2 76 77 VAL . 25914 2 77 78 GLY . 25914 2 78 79 GLY . 25914 2 79 80 LYS . 25914 2 80 81 VAL . 25914 2 81 82 ILE . 25914 2 82 83 HIS . 25914 2 83 84 LEU . 25914 2 84 85 VAL . 25914 2 85 86 GLU . 25914 2 86 87 ARG . 25914 2 87 88 ALA . 25914 2 88 89 PRO . 25914 2 89 90 PRO . 25914 2 90 91 GLN . 25914 2 91 92 THR . 25914 2 92 93 HIS . 25914 2 93 94 LEU . 25914 2 94 95 PRO . 25914 2 95 96 SER . 25914 2 96 97 GLY . 25914 2 97 98 ALA . 25914 2 98 99 SER . 25914 2 99 100 SER . 25914 2 100 101 GLY . 25914 2 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 . MET 1 1 25914 2 . ALA 2 2 25914 2 . HIS 3 3 25914 2 . HIS 4 4 25914 2 . HIS 5 5 25914 2 . HIS 6 6 25914 2 . HIS 7 7 25914 2 . HIS 8 8 25914 2 . VAL 9 9 25914 2 . ASP 10 10 25914 2 . ASP 11 11 25914 2 . ASP 12 12 25914 2 . ASP 13 13 25914 2 . LYS 14 14 25914 2 . MET 15 15 25914 2 . LEU 16 16 25914 2 . GLU 17 17 25914 2 . VAL 18 18 25914 2 . LEU 19 19 25914 2 . VAL 20 20 25914 2 . LYS 21 21 25914 2 . THR 22 22 25914 2 . LEU 23 23 25914 2 . ASP 24 24 25914 2 . SER 25 25 25914 2 . GLN 26 26 25914 2 . THR 27 27 25914 2 . ARG 28 28 25914 2 . THR 29 29 25914 2 . PHE 30 30 25914 2 . ILE 31 31 25914 2 . VAL 32 32 25914 2 . GLY 33 33 25914 2 . ALA 34 34 25914 2 . GLN 35 35 25914 2 . MET 36 36 25914 2 . ASN 37 37 25914 2 . VAL 38 38 25914 2 . LYS 39 39 25914 2 . GLU 40 40 25914 2 . PHE 41 41 25914 2 . LYS 42 42 25914 2 . GLU 43 43 25914 2 . HIS 44 44 25914 2 . ILE 45 45 25914 2 . ALA 46 46 25914 2 . ALA 47 47 25914 2 . SER 48 48 25914 2 . VAL 49 49 25914 2 . SER 50 50 25914 2 . ILE 51 51 25914 2 . PRO 52 52 25914 2 . SER 53 53 25914 2 . GLU 54 54 25914 2 . LYS 55 55 25914 2 . GLN 56 56 25914 2 . ARG 57 57 25914 2 . LEU 58 58 25914 2 . ILE 59 59 25914 2 . TYR 60 60 25914 2 . GLN 61 61 25914 2 . GLY 62 62 25914 2 . ARG 63 63 25914 2 . VAL 64 64 25914 2 . LEU 65 65 25914 2 . GLN 66 66 25914 2 . ASP 67 67 25914 2 . ASP 68 68 25914 2 . LYS 69 69 25914 2 . LYS 70 70 25914 2 . LEU 71 71 25914 2 . GLN 72 72 25914 2 . GLU 73 73 25914 2 . TYR 74 74 25914 2 . ASN 75 75 25914 2 . VAL 76 76 25914 2 . GLY 77 77 25914 2 . GLY 78 78 25914 2 . LYS 79 79 25914 2 . VAL 80 80 25914 2 . ILE 81 81 25914 2 . HIS 82 82 25914 2 . LEU 83 83 25914 2 . VAL 84 84 25914 2 . GLU 85 85 25914 2 . ARG 86 86 25914 2 . ALA 87 87 25914 2 . PRO 88 88 25914 2 . PRO 89 89 25914 2 . GLN 90 90 25914 2 . THR 91 91 25914 2 . HIS 92 92 25914 2 . LEU 93 93 25914 2 . PRO 94 94 25914 2 . SER 95 95 25914 2 . GLY 96 96 25914 2 . ALA 97 97 25914 2 . SER 98 98 25914 2 . SER 99 99 25914 2 . GLY 100 100 25914 2 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 25914 _Entity.ID 3 _Entity.BMRB_code ZN _Entity.Name 'ZINC ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _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 25914 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 25914 3 ZN 'Three letter code' 25914 3 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 25914 3 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 25914 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . RNF126 . 25914 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . BAG6 . 25914 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 25914 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . . . . PET28 . . . 25914 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . . . . PET46 . . . 25914 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 25914 _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 25914 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 25914 ZN [Zn++] SMILES CACTVS 3.341 25914 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 25914 ZN [Zn+2] SMILES ACDLabs 10.04 25914 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 25914 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 25914 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 25914 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 25914 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 . 25914 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25914 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 600 . . uM . . . . 25914 1 2 entity_2 'natural abundance' . . 2 $entity_2 . . 800 . . uM . . . . 25914 1 3 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 25914 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25914 1 5 TCEP 'natural abundance' . . . . . . 250 . . uM . . . . 25914 1 6 DSS 'natural abundance' . . . . . . 10 . . uM . . . . 25914 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25914 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25914 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25914 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 entity_1 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 600 . . uM . . . . 25914 2 2 entity_2 'natural abundance' . . 2 $entity_2 . . 800 . . uM . . . . 25914 2 3 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 25914 2 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25914 2 5 TCEP 'natural abundance' . . . . . . 250 . . uM . . . . 25914 2 6 DSS 'natural abundance' . . . . . . 10 . . uM . . . . 25914 2 7 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25914 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 25914 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 'natural abundance' . . 1 $entity_1 . . 600 . . uM . . . . 25914 3 2 entity_2 '[U-99% 13C; U-99% 15N]' . . 2 $entity_2 . . 400 . . uM . . . . 25914 3 3 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 25914 3 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25914 3 5 TCEP 'natural abundance' . . . . . . 250 . . uM . . . . 25914 3 6 DSS 'natural abundance' . . . . . . 10 . . uM . . . . 25914 3 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25914 3 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25914 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 25914 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 entity_1 'natural abundance' . . 1 $entity_1 . . 600 . . uM . . . . 25914 4 2 entity_2 '[U-99% 13C; U-99% 15N]' . . 2 $entity_2 . . 400 . . uM . . . . 25914 4 3 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 25914 4 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25914 4 5 TCEP 'natural abundance' . . . . . . 250 . . uM . . . . 25914 4 6 DSS 'natural abundance' . . . . . . 10 . . uM . . . . 25914 4 7 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25914 4 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 25914 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.12 . M 25914 1 pH 6.0 . pH 25914 1 pressure 1 . atm 25914 1 temperature 298 . K 25914 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25914 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 3.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25914 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25914 1 processing 25914 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25914 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25914 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25914 2 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 25914 _Software.ID 3 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25914 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25914 3 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 25914 _Software.ID 4 _Software.Name ARIA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 25914 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25914 4 'structure solution' 25914 4 stop_ save_ save_CcpNMR_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNMR_Analysis _Software.Entry_ID 25914 _Software.ID 5 _Software.Name CcpNMR_Analysis _Software.Version 2.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 25914 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25914 5 'peak picking' 25914 5 'structure solution' 25914 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25914 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25914 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 25914 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 25914 1 2 spectrometer_2 Bruker Avance . 500 . . . 25914 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 25914 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25914 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25914 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25914 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25914 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25914 1 6 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25914 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25914 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25914 1 9 '3D 12C14N filtered 13C edited NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25914 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25914 1 11 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25914 1 12 '2D 1H-13C HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25914 1 13 '3D HNCACB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25914 1 14 '3D CBCA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25914 1 15 '3D HNCO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25914 1 16 '3D HN(CA)CO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25914 1 17 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25914 1 18 '3D 1H-13C NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25914 1 19 '3D 12C14N filtered 13C edited NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25914 1 20 '3D HCCH-TOCSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25914 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 25914 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'DSS as internal reference' 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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25914 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25914 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25914 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25914 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25914 1 2 '2D 1H-13C HSQC' . . . 25914 1 3 '3D HNCACB' . . . 25914 1 4 '3D CBCA(CO)NH' . . . 25914 1 5 '3D HNCO' . . . 25914 1 6 '3D HN(CA)CO' . . . 25914 1 7 '3D 1H-15N NOESY' . . . 25914 1 8 '3D 1H-13C NOESY' . . . 25914 1 10 '3D HCCH-TOCSY' . . . 25914 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 HA3 H 1 4.012 0.000 . 2 . . . A -1 GLY HA3 . 25914 1 2 . 1 1 1 1 GLY CA C 13 43.501 0.000 . 1 . . . A -1 GLY CA . 25914 1 3 . 1 1 2 2 SER HA H 1 4.634 0.000 . 1 . . . A 0 SER HA . 25914 1 4 . 1 1 2 2 SER HB2 H 1 4.012 0.000 . 2 . . . A 0 SER HB2 . 25914 1 5 . 1 1 2 2 SER HB3 H 1 3.979 0.000 . 2 . . . A 0 SER HB3 . 25914 1 6 . 1 1 2 2 SER C C 13 174.736 0.007 . 1 . . . A 0 SER C . 25914 1 7 . 1 1 2 2 SER CA C 13 58.487 0.062 . 1 . . . A 0 SER CA . 25914 1 8 . 1 1 2 2 SER CB C 13 64.077 0.062 . 1 . . . A 0 SER CB . 25914 1 9 . 1 1 3 3 MET H H 1 8.610 0.045 . 1 . . . A 1 MET H . 25914 1 10 . 1 1 3 3 MET HA H 1 4.615 0.000 . 1 . . . A 1 MET HA . 25914 1 11 . 1 1 3 3 MET HB2 H 1 2.226 0.000 . 2 . . . A 1 MET HB2 . 25914 1 12 . 1 1 3 3 MET HB3 H 1 2.136 0.000 . 2 . . . A 1 MET HB3 . 25914 1 13 . 1 1 3 3 MET HG2 H 1 2.740 0.000 . 2 . . . A 1 MET HG2 . 25914 1 14 . 1 1 3 3 MET HG3 H 1 2.678 0.000 . 2 . . . A 1 MET HG3 . 25914 1 15 . 1 1 3 3 MET HE1 H 1 2.209 0.000 . 1 . . . A 1 MET HE1 . 25914 1 16 . 1 1 3 3 MET HE2 H 1 2.209 0.000 . 1 . . . A 1 MET HE2 . 25914 1 17 . 1 1 3 3 MET HE3 H 1 2.209 0.000 . 1 . . . A 1 MET HE3 . 25914 1 18 . 1 1 3 3 MET C C 13 176.160 0.006 . 1 . . . A 1 MET C . 25914 1 19 . 1 1 3 3 MET CA C 13 55.819 0.044 . 1 . . . A 1 MET CA . 25914 1 20 . 1 1 3 3 MET CB C 13 32.881 0.056 . 1 . . . A 1 MET CB . 25914 1 21 . 1 1 3 3 MET CG C 13 32.329 0.027 . 1 . . . A 1 MET CG . 25914 1 22 . 1 1 3 3 MET CE C 13 17.176 0.000 . 1 . . . A 1 MET CE . 25914 1 23 . 1 1 3 3 MET N N 15 123.111 0.018 . 1 . . . A 1 MET N . 25914 1 24 . 1 1 4 4 ALA H H 1 8.361 0.045 . 1 . . . A 2 ALA H . 25914 1 25 . 1 1 4 4 ALA HA H 1 4.415 0.005 . 1 . . . A 2 ALA HA . 25914 1 26 . 1 1 4 4 ALA HB1 H 1 1.514 0.015 . 1 . . . A 2 ALA HB1 . 25914 1 27 . 1 1 4 4 ALA HB2 H 1 1.514 0.015 . 1 . . . A 2 ALA HB2 . 25914 1 28 . 1 1 4 4 ALA HB3 H 1 1.514 0.015 . 1 . . . A 2 ALA HB3 . 25914 1 29 . 1 1 4 4 ALA C C 13 177.793 0.014 . 1 . . . A 2 ALA C . 25914 1 30 . 1 1 4 4 ALA CA C 13 52.835 0.047 . 1 . . . A 2 ALA CA . 25914 1 31 . 1 1 4 4 ALA CB C 13 19.350 0.059 . 1 . . . A 2 ALA CB . 25914 1 32 . 1 1 4 4 ALA N N 15 125.727 0.036 . 1 . . . A 2 ALA N . 25914 1 33 . 1 1 5 5 GLU H H 1 8.301 0.036 . 1 . . . A 3 GLU H . 25914 1 34 . 1 1 5 5 GLU HA H 1 4.368 0.001 . 1 . . . A 3 GLU HA . 25914 1 35 . 1 1 5 5 GLU HB2 H 1 2.185 0.000 . 2 . . . A 3 GLU HB2 . 25914 1 36 . 1 1 5 5 GLU HB3 H 1 2.041 0.000 . 2 . . . A 3 GLU HB3 . 25914 1 37 . 1 1 5 5 GLU HG2 H 1 2.391 0.003 . 2 . . . A 3 GLU HG2 . 25914 1 38 . 1 1 5 5 GLU C C 13 176.197 0.019 . 1 . . . A 3 GLU C . 25914 1 39 . 1 1 5 5 GLU CA C 13 56.407 0.134 . 1 . . . A 3 GLU CA . 25914 1 40 . 1 1 5 5 GLU CB C 13 30.586 0.039 . 1 . . . A 3 GLU CB . 25914 1 41 . 1 1 5 5 GLU CG C 13 36.573 0.000 . 1 . . . A 3 GLU CG . 25914 1 42 . 1 1 5 5 GLU N N 15 120.728 0.019 . 1 . . . A 3 GLU N . 25914 1 43 . 1 1 6 6 ALA H H 1 8.311 0.045 . 1 . . . A 4 ALA H . 25914 1 44 . 1 1 6 6 ALA HA H 1 4.461 0.000 . 1 . . . A 4 ALA HA . 25914 1 45 . 1 1 6 6 ALA HB1 H 1 1.504 0.000 . 1 . . . A 4 ALA HB1 . 25914 1 46 . 1 1 6 6 ALA HB2 H 1 1.504 0.000 . 1 . . . A 4 ALA HB2 . 25914 1 47 . 1 1 6 6 ALA HB3 H 1 1.504 0.000 . 1 . . . A 4 ALA HB3 . 25914 1 48 . 1 1 6 6 ALA C C 13 177.520 0.006 . 1 . . . A 4 ALA C . 25914 1 49 . 1 1 6 6 ALA CA C 13 52.439 0.111 . 1 . . . A 4 ALA CA . 25914 1 50 . 1 1 6 6 ALA CB C 13 19.551 0.076 . 1 . . . A 4 ALA CB . 25914 1 51 . 1 1 6 6 ALA N N 15 125.711 0.021 . 1 . . . A 4 ALA N . 25914 1 52 . 1 1 7 7 SER H H 1 8.285 0.044 . 1 . . . A 5 SER H . 25914 1 53 . 1 1 7 7 SER HA H 1 4.848 0.007 . 1 . . . A 5 SER HA . 25914 1 54 . 1 1 7 7 SER HB2 H 1 3.956 0.003 . 2 . . . A 5 SER HB2 . 25914 1 55 . 1 1 7 7 SER HB3 H 1 3.923 0.001 . 2 . . . A 5 SER HB3 . 25914 1 56 . 1 1 7 7 SER C C 13 172.647 0.000 . 1 . . . A 5 SER C . 25914 1 57 . 1 1 7 7 SER CA C 13 56.392 0.085 . 1 . . . A 5 SER CA . 25914 1 58 . 1 1 7 7 SER CB C 13 63.475 0.082 . 1 . . . A 5 SER CB . 25914 1 59 . 1 1 7 7 SER N N 15 117.113 0.030 . 1 . . . A 5 SER N . 25914 1 60 . 1 1 8 8 PRO HA H 1 4.534 0.011 . 1 . . . A 6 PRO HA . 25914 1 61 . 1 1 8 8 PRO HB2 H 1 2.368 0.011 . 2 . . . A 6 PRO HB2 . 25914 1 62 . 1 1 8 8 PRO HB3 H 1 1.894 0.022 . 2 . . . A 6 PRO HB3 . 25914 1 63 . 1 1 8 8 PRO HG2 H 1 2.092 0.003 . 2 . . . A 6 PRO HG2 . 25914 1 64 . 1 1 8 8 PRO HD2 H 1 3.906 0.014 . 2 . . . A 6 PRO HD2 . 25914 1 65 . 1 1 8 8 PRO HD3 H 1 3.809 0.011 . 2 . . . A 6 PRO HD3 . 25914 1 66 . 1 1 8 8 PRO C C 13 176.521 0.000 . 1 . . . A 6 PRO C . 25914 1 67 . 1 1 8 8 PRO CA C 13 63.367 0.110 . 1 . . . A 6 PRO CA . 25914 1 68 . 1 1 8 8 PRO CB C 13 32.279 0.085 . 1 . . . A 6 PRO CB . 25914 1 69 . 1 1 8 8 PRO CG C 13 27.625 0.002 . 1 . . . A 6 PRO CG . 25914 1 70 . 1 1 8 8 PRO CD C 13 50.846 0.119 . 1 . . . A 6 PRO CD . 25914 1 71 . 1 1 9 9 HIS H H 1 8.523 0.037 . 1 . . . A 7 HIS H . 25914 1 72 . 1 1 9 9 HIS HA H 1 5.088 0.004 . 1 . . . A 7 HIS HA . 25914 1 73 . 1 1 9 9 HIS HB2 H 1 3.303 0.026 . 2 . . . A 7 HIS HB2 . 25914 1 74 . 1 1 9 9 HIS HB3 H 1 3.250 0.007 . 2 . . . A 7 HIS HB3 . 25914 1 75 . 1 1 9 9 HIS HD2 H 1 7.389 0.000 . 1 . . . A 7 HIS HD2 . 25914 1 76 . 1 1 9 9 HIS C C 13 172.565 0.000 . 1 . . . A 7 HIS C . 25914 1 77 . 1 1 9 9 HIS CA C 13 53.536 0.073 . 1 . . . A 7 HIS CA . 25914 1 78 . 1 1 9 9 HIS CB C 13 29.265 0.157 . 1 . . . A 7 HIS CB . 25914 1 79 . 1 1 9 9 HIS N N 15 120.118 0.047 . 1 . . . A 7 HIS N . 25914 1 80 . 1 1 10 10 PRO HA H 1 4.627 0.008 . 1 . . . A 8 PRO HA . 25914 1 81 . 1 1 10 10 PRO HB2 H 1 2.431 0.002 . 2 . . . A 8 PRO HB2 . 25914 1 82 . 1 1 10 10 PRO HB3 H 1 2.135 0.006 . 2 . . . A 8 PRO HB3 . 25914 1 83 . 1 1 10 10 PRO HG2 H 1 2.132 0.005 . 2 . . . A 8 PRO HG2 . 25914 1 84 . 1 1 10 10 PRO HD2 H 1 3.813 0.009 . 2 . . . A 8 PRO HD2 . 25914 1 85 . 1 1 10 10 PRO HD3 H 1 3.699 0.010 . 2 . . . A 8 PRO HD3 . 25914 1 86 . 1 1 10 10 PRO C C 13 177.434 0.028 . 1 . . . A 8 PRO C . 25914 1 87 . 1 1 10 10 PRO CA C 13 63.535 0.097 . 1 . . . A 8 PRO CA . 25914 1 88 . 1 1 10 10 PRO CB C 13 32.395 0.071 . 1 . . . A 8 PRO CB . 25914 1 89 . 1 1 10 10 PRO CG C 13 27.436 0.136 . 1 . . . A 8 PRO CG . 25914 1 90 . 1 1 10 10 PRO CD C 13 50.744 0.165 . 1 . . . A 8 PRO CD . 25914 1 91 . 1 1 11 11 GLY H H 1 8.652 0.046 . 1 . . . A 9 GLY H . 25914 1 92 . 1 1 11 11 GLY HA2 H 1 4.156 0.007 . 2 . . . A 9 GLY HA2 . 25914 1 93 . 1 1 11 11 GLY HA3 H 1 4.072 0.020 . 2 . . . A 9 GLY HA3 . 25914 1 94 . 1 1 11 11 GLY C C 13 172.999 0.002 . 1 . . . A 9 GLY C . 25914 1 95 . 1 1 11 11 GLY CA C 13 45.270 0.053 . 1 . . . A 9 GLY CA . 25914 1 96 . 1 1 11 11 GLY N N 15 110.202 0.046 . 1 . . . A 9 GLY N . 25914 1 97 . 1 1 12 12 ARG H H 1 8.320 0.040 . 1 . . . A 10 ARG H . 25914 1 98 . 1 1 12 12 ARG HA H 1 4.951 0.007 . 1 . . . A 10 ARG HA . 25914 1 99 . 1 1 12 12 ARG HB2 H 1 1.960 0.005 . 2 . . . A 10 ARG HB2 . 25914 1 100 . 1 1 12 12 ARG HB3 H 1 1.803 0.006 . 2 . . . A 10 ARG HB3 . 25914 1 101 . 1 1 12 12 ARG HG2 H 1 1.803 0.005 . 2 . . . A 10 ARG HG2 . 25914 1 102 . 1 1 12 12 ARG HG3 H 1 1.742 0.003 . 2 . . . A 10 ARG HG3 . 25914 1 103 . 1 1 12 12 ARG HD2 H 1 3.334 0.009 . 2 . . . A 10 ARG HD2 . 25914 1 104 . 1 1 12 12 ARG HD3 H 1 3.248 0.010 . 2 . . . A 10 ARG HD3 . 25914 1 105 . 1 1 12 12 ARG HE H 1 7.600 0.000 . 1 . . . A 10 ARG HE . 25914 1 106 . 1 1 12 12 ARG C C 13 175.187 0.046 . 1 . . . A 10 ARG C . 25914 1 107 . 1 1 12 12 ARG CA C 13 55.524 0.116 . 1 . . . A 10 ARG CA . 25914 1 108 . 1 1 12 12 ARG CB C 13 33.121 0.123 . 1 . . . A 10 ARG CB . 25914 1 109 . 1 1 12 12 ARG CG C 13 27.333 0.127 . 1 . . . A 10 ARG CG . 25914 1 110 . 1 1 12 12 ARG CD C 13 43.768 0.007 . 1 . . . A 10 ARG CD . 25914 1 111 . 1 1 12 12 ARG N N 15 120.708 0.103 . 1 . . . A 10 ARG N . 25914 1 112 . 1 1 12 12 ARG NE N 15 85.305 0.000 . 1 . . . A 10 ARG NE . 25914 1 113 . 1 1 13 13 TYR H H 1 8.662 0.002 . 1 . . . A 11 TYR H . 25914 1 114 . 1 1 13 13 TYR HA H 1 5.420 0.013 . 1 . . . A 11 TYR HA . 25914 1 115 . 1 1 13 13 TYR HB2 H 1 3.099 0.018 . 2 . . . A 11 TYR HB2 . 25914 1 116 . 1 1 13 13 TYR HB3 H 1 2.610 0.014 . 2 . . . A 11 TYR HB3 . 25914 1 117 . 1 1 13 13 TYR HD1 H 1 7.019 0.010 . 3 . . . A 11 TYR HD1 . 25914 1 118 . 1 1 13 13 TYR HD2 H 1 7.019 0.010 . 3 . . . A 11 TYR HD2 . 25914 1 119 . 1 1 13 13 TYR HE1 H 1 6.936 0.013 . 3 . . . A 11 TYR HE1 . 25914 1 120 . 1 1 13 13 TYR HE2 H 1 6.936 0.013 . 3 . . . A 11 TYR HE2 . 25914 1 121 . 1 1 13 13 TYR C C 13 173.769 0.000 . 1 . . . A 11 TYR C . 25914 1 122 . 1 1 13 13 TYR CA C 13 56.744 0.122 . 1 . . . A 11 TYR CA . 25914 1 123 . 1 1 13 13 TYR CB C 13 43.133 0.080 . 1 . . . A 11 TYR CB . 25914 1 124 . 1 1 13 13 TYR CD1 C 13 132.724 0.079 . 3 . . . A 11 TYR CD1 . 25914 1 125 . 1 1 13 13 TYR CD2 C 13 132.724 0.079 . 3 . . . A 11 TYR CD2 . 25914 1 126 . 1 1 13 13 TYR CE1 C 13 118.202 0.142 . 3 . . . A 11 TYR CE1 . 25914 1 127 . 1 1 13 13 TYR CE2 C 13 118.202 0.142 . 3 . . . A 11 TYR CE2 . 25914 1 128 . 1 1 13 13 TYR N N 15 120.662 0.053 . 1 . . . A 11 TYR N . 25914 1 129 . 1 1 14 14 PHE H H 1 9.458 0.005 . 1 . . . A 12 PHE H . 25914 1 130 . 1 1 14 14 PHE HA H 1 4.932 0.022 . 1 . . . A 12 PHE HA . 25914 1 131 . 1 1 14 14 PHE HB2 H 1 2.969 0.009 . 2 . . . A 12 PHE HB2 . 25914 1 132 . 1 1 14 14 PHE HB3 H 1 2.684 0.008 . 2 . . . A 12 PHE HB3 . 25914 1 133 . 1 1 14 14 PHE HD1 H 1 6.459 0.010 . 3 . . . A 12 PHE HD1 . 25914 1 134 . 1 1 14 14 PHE HD2 H 1 6.459 0.010 . 3 . . . A 12 PHE HD2 . 25914 1 135 . 1 1 14 14 PHE HE1 H 1 7.031 0.012 . 3 . . . A 12 PHE HE1 . 25914 1 136 . 1 1 14 14 PHE HE2 H 1 7.031 0.012 . 3 . . . A 12 PHE HE2 . 25914 1 137 . 1 1 14 14 PHE HZ H 1 7.184 0.014 . 1 . . . A 12 PHE HZ . 25914 1 138 . 1 1 14 14 PHE C C 13 173.732 0.000 . 1 . . . A 12 PHE C . 25914 1 139 . 1 1 14 14 PHE CA C 13 56.909 0.082 . 1 . . . A 12 PHE CA . 25914 1 140 . 1 1 14 14 PHE CB C 13 44.139 0.099 . 1 . . . A 12 PHE CB . 25914 1 141 . 1 1 14 14 PHE CD1 C 13 131.185 0.042 . 3 . . . A 12 PHE CD1 . 25914 1 142 . 1 1 14 14 PHE CD2 C 13 131.185 0.042 . 3 . . . A 12 PHE CD2 . 25914 1 143 . 1 1 14 14 PHE CE1 C 13 131.280 0.026 . 3 . . . A 12 PHE CE1 . 25914 1 144 . 1 1 14 14 PHE CE2 C 13 131.280 0.026 . 3 . . . A 12 PHE CE2 . 25914 1 145 . 1 1 14 14 PHE CZ C 13 130.040 0.038 . 1 . . . A 12 PHE CZ . 25914 1 146 . 1 1 14 14 PHE N N 15 121.892 0.104 . 1 . . . A 12 PHE N . 25914 1 147 . 1 1 15 15 CYS H H 1 7.847 0.008 . 1 . . . A 13 CYS H . 25914 1 148 . 1 1 15 15 CYS HA H 1 4.932 0.019 . 1 . . . A 13 CYS HA . 25914 1 149 . 1 1 15 15 CYS HB2 H 1 2.860 0.009 . 2 . . . A 13 CYS HB2 . 25914 1 150 . 1 1 15 15 CYS HB3 H 1 2.765 0.014 . 2 . . . A 13 CYS HB3 . 25914 1 151 . 1 1 15 15 CYS C C 13 176.293 0.000 . 1 . . . A 13 CYS C . 25914 1 152 . 1 1 15 15 CYS CA C 13 57.571 0.091 . 1 . . . A 13 CYS CA . 25914 1 153 . 1 1 15 15 CYS CB C 13 31.319 0.138 . 1 . . . A 13 CYS CB . 25914 1 154 . 1 1 15 15 CYS N N 15 127.548 0.073 . 1 . . . A 13 CYS N . 25914 1 155 . 1 1 16 16 HIS H H 1 9.230 0.027 . 1 . . . A 14 HIS H . 25914 1 156 . 1 1 16 16 HIS HA H 1 4.370 0.008 . 1 . . . A 14 HIS HA . 25914 1 157 . 1 1 16 16 HIS HB2 H 1 3.407 0.016 . 2 . . . A 14 HIS HB2 . 25914 1 158 . 1 1 16 16 HIS HB3 H 1 3.300 0.008 . 2 . . . A 14 HIS HB3 . 25914 1 159 . 1 1 16 16 HIS HD2 H 1 7.053 0.022 . 1 . . . A 14 HIS HD2 . 25914 1 160 . 1 1 16 16 HIS C C 13 176.544 0.007 . 1 . . . A 14 HIS C . 25914 1 161 . 1 1 16 16 HIS CA C 13 59.643 0.101 . 1 . . . A 14 HIS CA . 25914 1 162 . 1 1 16 16 HIS CB C 13 33.200 0.052 . 1 . . . A 14 HIS CB . 25914 1 163 . 1 1 16 16 HIS CD2 C 13 116.631 0.033 . 1 . . . A 14 HIS CD2 . 25914 1 164 . 1 1 16 16 HIS N N 15 126.180 0.074 . 1 . . . A 14 HIS N . 25914 1 165 . 1 1 17 17 CYS H H 1 8.998 0.007 . 1 . . . A 15 CYS H . 25914 1 166 . 1 1 17 17 CYS HA H 1 4.338 0.021 . 1 . . . A 15 CYS HA . 25914 1 167 . 1 1 17 17 CYS HB2 H 1 3.444 0.007 . 2 . . . A 15 CYS HB2 . 25914 1 168 . 1 1 17 17 CYS HB3 H 1 3.075 0.017 . 2 . . . A 15 CYS HB3 . 25914 1 169 . 1 1 17 17 CYS C C 13 176.772 0.000 . 1 . . . A 15 CYS C . 25914 1 170 . 1 1 17 17 CYS CA C 13 61.739 0.030 . 1 . . . A 15 CYS CA . 25914 1 171 . 1 1 17 17 CYS CB C 13 28.384 0.083 . 1 . . . A 15 CYS CB . 25914 1 172 . 1 1 17 17 CYS N N 15 123.256 0.109 . 1 . . . A 15 CYS N . 25914 1 173 . 1 1 18 18 CYS H H 1 9.696 0.002 . 1 . . . A 16 CYS H . 25914 1 174 . 1 1 18 18 CYS HA H 1 4.028 0.025 . 1 . . . A 16 CYS HA . 25914 1 175 . 1 1 18 18 CYS HB2 H 1 3.013 0.017 . 2 . . . A 16 CYS HB2 . 25914 1 176 . 1 1 18 18 CYS HB3 H 1 2.695 0.009 . 2 . . . A 16 CYS HB3 . 25914 1 177 . 1 1 18 18 CYS C C 13 175.419 0.000 . 1 . . . A 16 CYS C . 25914 1 178 . 1 1 18 18 CYS CA C 13 62.136 0.089 . 1 . . . A 16 CYS CA . 25914 1 179 . 1 1 18 18 CYS CB C 13 31.117 0.100 . 1 . . . A 16 CYS CB . 25914 1 180 . 1 1 18 18 CYS N N 15 124.783 0.064 . 1 . . . A 16 CYS N . 25914 1 181 . 1 1 19 19 SER H H 1 8.038 0.007 . 1 . . . A 17 SER H . 25914 1 182 . 1 1 19 19 SER HA H 1 3.846 0.011 . 1 . . . A 17 SER HA . 25914 1 183 . 1 1 19 19 SER HB2 H 1 4.340 0.003 . 2 . . . A 17 SER HB2 . 25914 1 184 . 1 1 19 19 SER HB3 H 1 3.991 0.012 . 2 . . . A 17 SER HB3 . 25914 1 185 . 1 1 19 19 SER C C 13 173.950 0.000 . 1 . . . A 17 SER C . 25914 1 186 . 1 1 19 19 SER CA C 13 58.872 0.160 . 1 . . . A 17 SER CA . 25914 1 187 . 1 1 19 19 SER CB C 13 61.833 0.129 . 1 . . . A 17 SER CB . 25914 1 188 . 1 1 19 19 SER N N 15 114.378 0.154 . 1 . . . A 17 SER N . 25914 1 189 . 1 1 20 20 VAL H H 1 6.545 0.035 . 1 . . . A 18 VAL H . 25914 1 190 . 1 1 20 20 VAL HA H 1 4.695 0.014 . 1 . . . A 18 VAL HA . 25914 1 191 . 1 1 20 20 VAL HB H 1 2.223 0.004 . 1 . . . A 18 VAL HB . 25914 1 192 . 1 1 20 20 VAL HG11 H 1 0.911 0.008 . 2 . . . A 18 VAL HG11 . 25914 1 193 . 1 1 20 20 VAL HG12 H 1 0.911 0.008 . 2 . . . A 18 VAL HG12 . 25914 1 194 . 1 1 20 20 VAL HG13 H 1 0.911 0.008 . 2 . . . A 18 VAL HG13 . 25914 1 195 . 1 1 20 20 VAL HG21 H 1 0.774 0.026 . 2 . . . A 18 VAL HG21 . 25914 1 196 . 1 1 20 20 VAL HG22 H 1 0.774 0.026 . 2 . . . A 18 VAL HG22 . 25914 1 197 . 1 1 20 20 VAL HG23 H 1 0.774 0.026 . 2 . . . A 18 VAL HG23 . 25914 1 198 . 1 1 20 20 VAL C C 13 173.907 0.033 . 1 . . . A 18 VAL C . 25914 1 199 . 1 1 20 20 VAL CA C 13 58.941 0.099 . 1 . . . A 18 VAL CA . 25914 1 200 . 1 1 20 20 VAL CB C 13 36.829 0.068 . 1 . . . A 18 VAL CB . 25914 1 201 . 1 1 20 20 VAL CG1 C 13 21.749 0.118 . 2 . . . A 18 VAL CG1 . 25914 1 202 . 1 1 20 20 VAL CG2 C 13 19.044 0.101 . 2 . . . A 18 VAL CG2 . 25914 1 203 . 1 1 20 20 VAL N N 15 111.467 0.163 . 1 . . . A 18 VAL N . 25914 1 204 . 1 1 21 21 GLU H H 1 8.336 0.036 . 1 . . . A 19 GLU H . 25914 1 205 . 1 1 21 21 GLU HA H 1 5.301 0.018 . 1 . . . A 19 GLU HA . 25914 1 206 . 1 1 21 21 GLU HB2 H 1 2.178 0.009 . 2 . . . A 19 GLU HB2 . 25914 1 207 . 1 1 21 21 GLU HB3 H 1 2.126 0.004 . 2 . . . A 19 GLU HB3 . 25914 1 208 . 1 1 21 21 GLU HG2 H 1 2.740 0.009 . 2 . . . A 19 GLU HG2 . 25914 1 209 . 1 1 21 21 GLU HG3 H 1 2.402 0.012 . 2 . . . A 19 GLU HG3 . 25914 1 210 . 1 1 21 21 GLU C C 13 176.576 0.070 . 1 . . . A 19 GLU C . 25914 1 211 . 1 1 21 21 GLU CA C 13 56.506 0.082 . 1 . . . A 19 GLU CA . 25914 1 212 . 1 1 21 21 GLU CB C 13 30.540 0.146 . 1 . . . A 19 GLU CB . 25914 1 213 . 1 1 21 21 GLU CG C 13 36.960 0.118 . 1 . . . A 19 GLU CG . 25914 1 214 . 1 1 21 21 GLU N N 15 122.406 0.202 . 1 . . . A 19 GLU N . 25914 1 215 . 1 1 22 22 ILE H H 1 8.611 0.018 . 1 . . . A 20 ILE H . 25914 1 216 . 1 1 22 22 ILE HA H 1 4.852 0.019 . 1 . . . A 20 ILE HA . 25914 1 217 . 1 1 22 22 ILE HB H 1 1.873 0.015 . 1 . . . A 20 ILE HB . 25914 1 218 . 1 1 22 22 ILE HG12 H 1 1.528 0.011 . 2 . . . A 20 ILE HG12 . 25914 1 219 . 1 1 22 22 ILE HG13 H 1 1.369 0.015 . 2 . . . A 20 ILE HG13 . 25914 1 220 . 1 1 22 22 ILE HG21 H 1 1.150 0.013 . 1 . . . A 20 ILE HG21 . 25914 1 221 . 1 1 22 22 ILE HG22 H 1 1.150 0.013 . 1 . . . A 20 ILE HG22 . 25914 1 222 . 1 1 22 22 ILE HG23 H 1 1.150 0.013 . 1 . . . A 20 ILE HG23 . 25914 1 223 . 1 1 22 22 ILE HD11 H 1 0.865 0.019 . 1 . . . A 20 ILE HD11 . 25914 1 224 . 1 1 22 22 ILE HD12 H 1 0.865 0.019 . 1 . . . A 20 ILE HD12 . 25914 1 225 . 1 1 22 22 ILE HD13 H 1 0.865 0.019 . 1 . . . A 20 ILE HD13 . 25914 1 226 . 1 1 22 22 ILE C C 13 175.365 0.000 . 1 . . . A 20 ILE C . 25914 1 227 . 1 1 22 22 ILE CA C 13 58.848 0.143 . 1 . . . A 20 ILE CA . 25914 1 228 . 1 1 22 22 ILE CB C 13 44.635 0.086 . 1 . . . A 20 ILE CB . 25914 1 229 . 1 1 22 22 ILE CG1 C 13 26.934 0.095 . 1 . . . A 20 ILE CG1 . 25914 1 230 . 1 1 22 22 ILE CG2 C 13 21.163 0.063 . 1 . . . A 20 ILE CG2 . 25914 1 231 . 1 1 22 22 ILE CD1 C 13 15.371 0.092 . 1 . . . A 20 ILE CD1 . 25914 1 232 . 1 1 22 22 ILE N N 15 117.814 0.180 . 1 . . . A 20 ILE N . 25914 1 233 . 1 1 23 23 VAL H H 1 8.163 0.042 . 1 . . . A 21 VAL H . 25914 1 234 . 1 1 23 23 VAL HA H 1 4.720 0.017 . 1 . . . A 21 VAL HA . 25914 1 235 . 1 1 23 23 VAL HB H 1 2.113 0.016 . 1 . . . A 21 VAL HB . 25914 1 236 . 1 1 23 23 VAL HG11 H 1 1.140 0.006 . 2 . . . A 21 VAL HG11 . 25914 1 237 . 1 1 23 23 VAL HG12 H 1 1.140 0.006 . 2 . . . A 21 VAL HG12 . 25914 1 238 . 1 1 23 23 VAL HG13 H 1 1.140 0.006 . 2 . . . A 21 VAL HG13 . 25914 1 239 . 1 1 23 23 VAL HG21 H 1 1.087 0.015 . 2 . . . A 21 VAL HG21 . 25914 1 240 . 1 1 23 23 VAL HG22 H 1 1.087 0.015 . 2 . . . A 21 VAL HG22 . 25914 1 241 . 1 1 23 23 VAL HG23 H 1 1.087 0.015 . 2 . . . A 21 VAL HG23 . 25914 1 242 . 1 1 23 23 VAL C C 13 174.800 0.000 . 1 . . . A 21 VAL C . 25914 1 243 . 1 1 23 23 VAL CA C 13 59.430 0.090 . 1 . . . A 21 VAL CA . 25914 1 244 . 1 1 23 23 VAL CB C 13 32.452 0.002 . 1 . . . A 21 VAL CB . 25914 1 245 . 1 1 23 23 VAL CG1 C 13 21.072 0.161 . 2 . . . A 21 VAL CG1 . 25914 1 246 . 1 1 23 23 VAL CG2 C 13 21.064 0.109 . 2 . . . A 21 VAL CG2 . 25914 1 247 . 1 1 23 23 VAL N N 15 124.372 0.034 . 1 . . . A 21 VAL N . 25914 1 248 . 1 1 24 24 PRO HA H 1 4.326 0.020 . 1 . . . A 22 PRO HA . 25914 1 249 . 1 1 24 24 PRO HB2 H 1 1.340 0.023 . 2 . . . A 22 PRO HB2 . 25914 1 250 . 1 1 24 24 PRO HB3 H 1 1.193 0.014 . 2 . . . A 22 PRO HB3 . 25914 1 251 . 1 1 24 24 PRO HG2 H 1 1.163 0.012 . 2 . . . A 22 PRO HG2 . 25914 1 252 . 1 1 24 24 PRO HG3 H 1 0.629 0.022 . 2 . . . A 22 PRO HG3 . 25914 1 253 . 1 1 24 24 PRO HD2 H 1 3.692 0.009 . 2 . . . A 22 PRO HD2 . 25914 1 254 . 1 1 24 24 PRO HD3 H 1 3.457 0.013 . 2 . . . A 22 PRO HD3 . 25914 1 255 . 1 1 24 24 PRO C C 13 175.375 0.000 . 1 . . . A 22 PRO C . 25914 1 256 . 1 1 24 24 PRO CA C 13 62.349 0.092 . 1 . . . A 22 PRO CA . 25914 1 257 . 1 1 24 24 PRO CB C 13 32.405 0.090 . 1 . . . A 22 PRO CB . 25914 1 258 . 1 1 24 24 PRO CG C 13 25.648 0.080 . 1 . . . A 22 PRO CG . 25914 1 259 . 1 1 24 24 PRO CD C 13 51.036 0.130 . 1 . . . A 22 PRO CD . 25914 1 260 . 1 1 25 25 ARG H H 1 8.559 0.026 . 1 . . . A 23 ARG H . 25914 1 261 . 1 1 25 25 ARG HA H 1 4.423 0.008 . 1 . . . A 23 ARG HA . 25914 1 262 . 1 1 25 25 ARG HB2 H 1 1.817 0.019 . 2 . . . A 23 ARG HB2 . 25914 1 263 . 1 1 25 25 ARG HB3 H 1 1.644 0.021 . 2 . . . A 23 ARG HB3 . 25914 1 264 . 1 1 25 25 ARG HG2 H 1 1.652 0.015 . 2 . . . A 23 ARG HG2 . 25914 1 265 . 1 1 25 25 ARG HD2 H 1 3.245 0.016 . 2 . . . A 23 ARG HD2 . 25914 1 266 . 1 1 25 25 ARG HD3 H 1 3.157 0.007 . 2 . . . A 23 ARG HD3 . 25914 1 267 . 1 1 25 25 ARG HE H 1 7.303 0.000 . 1 . . . A 23 ARG HE . 25914 1 268 . 1 1 25 25 ARG C C 13 175.517 0.034 . 1 . . . A 23 ARG C . 25914 1 269 . 1 1 25 25 ARG CA C 13 55.929 0.044 . 1 . . . A 23 ARG CA . 25914 1 270 . 1 1 25 25 ARG CB C 13 30.470 0.145 . 1 . . . A 23 ARG CB . 25914 1 271 . 1 1 25 25 ARG CG C 13 27.312 0.039 . 1 . . . A 23 ARG CG . 25914 1 272 . 1 1 25 25 ARG CD C 13 44.003 0.154 . 1 . . . A 23 ARG CD . 25914 1 273 . 1 1 25 25 ARG N N 15 119.474 0.068 . 1 . . . A 23 ARG N . 25914 1 274 . 1 1 25 25 ARG NE N 15 84.394 0.000 . 1 . . . A 23 ARG NE . 25914 1 275 . 1 1 26 26 LEU H H 1 8.417 0.031 . 1 . . . A 24 LEU H . 25914 1 276 . 1 1 26 26 LEU HA H 1 4.215 0.021 . 1 . . . A 24 LEU HA . 25914 1 277 . 1 1 26 26 LEU HB2 H 1 1.539 0.013 . 2 . . . A 24 LEU HB2 . 25914 1 278 . 1 1 26 26 LEU HB3 H 1 1.330 0.005 . 2 . . . A 24 LEU HB3 . 25914 1 279 . 1 1 26 26 LEU HG H 1 1.210 0.009 . 1 . . . A 24 LEU HG . 25914 1 280 . 1 1 26 26 LEU HD11 H 1 0.709 0.012 . 2 . . . A 24 LEU HD11 . 25914 1 281 . 1 1 26 26 LEU HD12 H 1 0.709 0.012 . 2 . . . A 24 LEU HD12 . 25914 1 282 . 1 1 26 26 LEU HD13 H 1 0.709 0.012 . 2 . . . A 24 LEU HD13 . 25914 1 283 . 1 1 26 26 LEU HD21 H 1 0.111 0.012 . 2 . . . A 24 LEU HD21 . 25914 1 284 . 1 1 26 26 LEU HD22 H 1 0.111 0.012 . 2 . . . A 24 LEU HD22 . 25914 1 285 . 1 1 26 26 LEU HD23 H 1 0.111 0.012 . 2 . . . A 24 LEU HD23 . 25914 1 286 . 1 1 26 26 LEU C C 13 175.538 0.000 . 1 . . . A 24 LEU C . 25914 1 287 . 1 1 26 26 LEU CA C 13 52.858 0.097 . 1 . . . A 24 LEU CA . 25914 1 288 . 1 1 26 26 LEU CB C 13 41.471 0.081 . 1 . . . A 24 LEU CB . 25914 1 289 . 1 1 26 26 LEU CG C 13 27.245 0.131 . 1 . . . A 24 LEU CG . 25914 1 290 . 1 1 26 26 LEU CD1 C 13 24.706 0.131 . 2 . . . A 24 LEU CD1 . 25914 1 291 . 1 1 26 26 LEU CD2 C 13 22.079 0.096 . 2 . . . A 24 LEU CD2 . 25914 1 292 . 1 1 26 26 LEU N N 15 127.793 0.057 . 1 . . . A 24 LEU N . 25914 1 293 . 1 1 27 27 PRO HA H 1 4.266 0.006 . 1 . . . A 25 PRO HA . 25914 1 294 . 1 1 27 27 PRO HB2 H 1 2.463 0.008 . 2 . . . A 25 PRO HB2 . 25914 1 295 . 1 1 27 27 PRO HB3 H 1 2.314 0.007 . 2 . . . A 25 PRO HB3 . 25914 1 296 . 1 1 27 27 PRO HG2 H 1 2.050 0.005 . 2 . . . A 25 PRO HG2 . 25914 1 297 . 1 1 27 27 PRO HG3 H 1 1.764 0.006 . 2 . . . A 25 PRO HG3 . 25914 1 298 . 1 1 27 27 PRO HD2 H 1 3.608 0.011 . 2 . . . A 25 PRO HD2 . 25914 1 299 . 1 1 27 27 PRO HD3 H 1 3.517 0.009 . 2 . . . A 25 PRO HD3 . 25914 1 300 . 1 1 27 27 PRO C C 13 175.656 0.000 . 1 . . . A 25 PRO C . 25914 1 301 . 1 1 27 27 PRO CA C 13 63.683 0.096 . 1 . . . A 25 PRO CA . 25914 1 302 . 1 1 27 27 PRO CB C 13 34.226 0.124 . 1 . . . A 25 PRO CB . 25914 1 303 . 1 1 27 27 PRO CG C 13 24.458 0.110 . 1 . . . A 25 PRO CG . 25914 1 304 . 1 1 27 27 PRO CD C 13 50.345 0.089 . 1 . . . A 25 PRO CD . 25914 1 305 . 1 1 28 28 ASP H H 1 8.620 0.029 . 1 . . . A 26 ASP H . 25914 1 306 . 1 1 28 28 ASP HA H 1 4.533 0.010 . 1 . . . A 26 ASP HA . 25914 1 307 . 1 1 28 28 ASP HB2 H 1 2.698 0.013 . 2 . . . A 26 ASP HB2 . 25914 1 308 . 1 1 28 28 ASP HB3 H 1 2.425 0.009 . 2 . . . A 26 ASP HB3 . 25914 1 309 . 1 1 28 28 ASP C C 13 176.117 0.008 . 1 . . . A 26 ASP C . 25914 1 310 . 1 1 28 28 ASP CA C 13 56.318 0.105 . 1 . . . A 26 ASP CA . 25914 1 311 . 1 1 28 28 ASP CB C 13 40.804 0.114 . 1 . . . A 26 ASP CB . 25914 1 312 . 1 1 28 28 ASP N N 15 121.550 0.083 . 1 . . . A 26 ASP N . 25914 1 313 . 1 1 29 29 TYR H H 1 8.368 0.024 . 1 . . . A 27 TYR H . 25914 1 314 . 1 1 29 29 TYR HA H 1 3.341 0.015 . 1 . . . A 27 TYR HA . 25914 1 315 . 1 1 29 29 TYR HB2 H 1 3.267 0.005 . 2 . . . A 27 TYR HB2 . 25914 1 316 . 1 1 29 29 TYR HB3 H 1 2.736 0.007 . 2 . . . A 27 TYR HB3 . 25914 1 317 . 1 1 29 29 TYR HD1 H 1 6.761 0.011 . 3 . . . A 27 TYR HD1 . 25914 1 318 . 1 1 29 29 TYR HD2 H 1 6.761 0.011 . 3 . . . A 27 TYR HD2 . 25914 1 319 . 1 1 29 29 TYR HE1 H 1 6.802 0.007 . 3 . . . A 27 TYR HE1 . 25914 1 320 . 1 1 29 29 TYR HE2 H 1 6.802 0.007 . 3 . . . A 27 TYR HE2 . 25914 1 321 . 1 1 29 29 TYR C C 13 173.721 0.013 . 1 . . . A 27 TYR C . 25914 1 322 . 1 1 29 29 TYR CA C 13 60.614 0.100 . 1 . . . A 27 TYR CA . 25914 1 323 . 1 1 29 29 TYR CB C 13 34.602 0.095 . 1 . . . A 27 TYR CB . 25914 1 324 . 1 1 29 29 TYR CD1 C 13 132.404 0.165 . 3 . . . A 27 TYR CD1 . 25914 1 325 . 1 1 29 29 TYR CD2 C 13 132.404 0.165 . 3 . . . A 27 TYR CD2 . 25914 1 326 . 1 1 29 29 TYR CE1 C 13 118.677 0.075 . 3 . . . A 27 TYR CE1 . 25914 1 327 . 1 1 29 29 TYR CE2 C 13 118.677 0.075 . 3 . . . A 27 TYR CE2 . 25914 1 328 . 1 1 29 29 TYR N N 15 114.752 0.069 . 1 . . . A 27 TYR N . 25914 1 329 . 1 1 30 30 ILE H H 1 6.980 0.010 . 1 . . . A 28 ILE H . 25914 1 330 . 1 1 30 30 ILE HA H 1 4.699 0.013 . 1 . . . A 28 ILE HA . 25914 1 331 . 1 1 30 30 ILE HB H 1 1.477 0.012 . 1 . . . A 28 ILE HB . 25914 1 332 . 1 1 30 30 ILE HG12 H 1 1.258 0.015 . 2 . . . A 28 ILE HG12 . 25914 1 333 . 1 1 30 30 ILE HG13 H 1 0.999 0.023 . 2 . . . A 28 ILE HG13 . 25914 1 334 . 1 1 30 30 ILE HG21 H 1 0.696 0.018 . 1 . . . A 28 ILE HG21 . 25914 1 335 . 1 1 30 30 ILE HG22 H 1 0.696 0.018 . 1 . . . A 28 ILE HG22 . 25914 1 336 . 1 1 30 30 ILE HG23 H 1 0.696 0.018 . 1 . . . A 28 ILE HG23 . 25914 1 337 . 1 1 30 30 ILE HD11 H 1 0.744 0.013 . 1 . . . A 28 ILE HD11 . 25914 1 338 . 1 1 30 30 ILE HD12 H 1 0.744 0.013 . 1 . . . A 28 ILE HD12 . 25914 1 339 . 1 1 30 30 ILE HD13 H 1 0.744 0.013 . 1 . . . A 28 ILE HD13 . 25914 1 340 . 1 1 30 30 ILE C C 13 174.763 0.000 . 1 . . . A 28 ILE C . 25914 1 341 . 1 1 30 30 ILE CA C 13 57.332 0.161 . 1 . . . A 28 ILE CA . 25914 1 342 . 1 1 30 30 ILE CB C 13 41.965 0.080 . 1 . . . A 28 ILE CB . 25914 1 343 . 1 1 30 30 ILE CG1 C 13 26.521 0.126 . 1 . . . A 28 ILE CG1 . 25914 1 344 . 1 1 30 30 ILE CG2 C 13 17.284 0.144 . 1 . . . A 28 ILE CG2 . 25914 1 345 . 1 1 30 30 ILE CD1 C 13 11.732 0.120 . 1 . . . A 28 ILE CD1 . 25914 1 346 . 1 1 30 30 ILE N N 15 114.886 0.137 . 1 . . . A 28 ILE N . 25914 1 347 . 1 1 31 31 CYS H H 1 8.652 0.037 . 1 . . . A 29 CYS H . 25914 1 348 . 1 1 31 31 CYS HA H 1 4.577 0.010 . 1 . . . A 29 CYS HA . 25914 1 349 . 1 1 31 31 CYS HB2 H 1 3.562 0.022 . 2 . . . A 29 CYS HB2 . 25914 1 350 . 1 1 31 31 CYS HB3 H 1 2.817 0.007 . 2 . . . A 29 CYS HB3 . 25914 1 351 . 1 1 31 31 CYS C C 13 175.581 0.000 . 1 . . . A 29 CYS C . 25914 1 352 . 1 1 31 31 CYS CA C 13 55.941 0.106 . 1 . . . A 29 CYS CA . 25914 1 353 . 1 1 31 31 CYS CB C 13 32.907 0.105 . 1 . . . A 29 CYS CB . 25914 1 354 . 1 1 31 31 CYS N N 15 128.629 0.127 . 1 . . . A 29 CYS N . 25914 1 355 . 1 1 32 32 PRO HA H 1 4.491 0.007 . 1 . . . A 30 PRO HA . 25914 1 356 . 1 1 32 32 PRO HB2 H 1 2.214 0.008 . 2 . . . A 30 PRO HB2 . 25914 1 357 . 1 1 32 32 PRO HG2 H 1 2.401 0.014 . 2 . . . A 30 PRO HG2 . 25914 1 358 . 1 1 32 32 PRO HG3 H 1 2.129 0.015 . 2 . . . A 30 PRO HG3 . 25914 1 359 . 1 1 32 32 PRO HD2 H 1 4.247 0.018 . 2 . . . A 30 PRO HD2 . 25914 1 360 . 1 1 32 32 PRO HD3 H 1 4.004 0.018 . 2 . . . A 30 PRO HD3 . 25914 1 361 . 1 1 32 32 PRO C C 13 176.593 0.000 . 1 . . . A 30 PRO C . 25914 1 362 . 1 1 32 32 PRO CA C 13 64.074 0.112 . 1 . . . A 30 PRO CA . 25914 1 363 . 1 1 32 32 PRO CB C 13 32.409 0.140 . 1 . . . A 30 PRO CB . 25914 1 364 . 1 1 32 32 PRO CG C 13 27.116 0.130 . 1 . . . A 30 PRO CG . 25914 1 365 . 1 1 32 32 PRO CD C 13 51.428 0.058 . 1 . . . A 30 PRO CD . 25914 1 366 . 1 1 33 33 ARG H H 1 9.638 0.023 . 1 . . . A 31 ARG H . 25914 1 367 . 1 1 33 33 ARG HA H 1 4.415 0.005 . 1 . . . A 31 ARG HA . 25914 1 368 . 1 1 33 33 ARG HB2 H 1 2.264 0.019 . 2 . . . A 31 ARG HB2 . 25914 1 369 . 1 1 33 33 ARG HB3 H 1 2.043 0.009 . 2 . . . A 31 ARG HB3 . 25914 1 370 . 1 1 33 33 ARG HG2 H 1 1.683 0.016 . 2 . . . A 31 ARG HG2 . 25914 1 371 . 1 1 33 33 ARG HG3 H 1 1.450 0.000 . 2 . . . A 31 ARG HG3 . 25914 1 372 . 1 1 33 33 ARG HD2 H 1 3.287 0.012 . 2 . . . A 31 ARG HD2 . 25914 1 373 . 1 1 33 33 ARG HD3 H 1 3.165 0.006 . 2 . . . A 31 ARG HD3 . 25914 1 374 . 1 1 33 33 ARG HE H 1 7.264 0.000 . 1 . . . A 31 ARG HE . 25914 1 375 . 1 1 33 33 ARG C C 13 177.409 0.031 . 1 . . . A 31 ARG C . 25914 1 376 . 1 1 33 33 ARG CA C 13 58.509 0.132 . 1 . . . A 31 ARG CA . 25914 1 377 . 1 1 33 33 ARG CB C 13 31.642 0.133 . 1 . . . A 31 ARG CB . 25914 1 378 . 1 1 33 33 ARG CG C 13 27.664 0.031 . 1 . . . A 31 ARG CG . 25914 1 379 . 1 1 33 33 ARG N N 15 124.318 0.106 . 1 . . . A 31 ARG N . 25914 1 380 . 1 1 33 33 ARG NE N 15 85.477 0.000 . 1 . . . A 31 ARG NE . 25914 1 381 . 1 1 34 34 CYS H H 1 8.313 0.039 . 1 . . . A 32 CYS H . 25914 1 382 . 1 1 34 34 CYS HA H 1 4.852 0.019 . 1 . . . A 32 CYS HA . 25914 1 383 . 1 1 34 34 CYS HB2 H 1 3.372 0.017 . 2 . . . A 32 CYS HB2 . 25914 1 384 . 1 1 34 34 CYS HB3 H 1 2.799 0.022 . 2 . . . A 32 CYS HB3 . 25914 1 385 . 1 1 34 34 CYS C C 13 176.332 0.040 . 1 . . . A 32 CYS C . 25914 1 386 . 1 1 34 34 CYS CA C 13 58.567 0.199 . 1 . . . A 32 CYS CA . 25914 1 387 . 1 1 34 34 CYS CB C 13 32.641 0.131 . 1 . . . A 32 CYS CB . 25914 1 388 . 1 1 34 34 CYS N N 15 118.584 0.115 . 1 . . . A 32 CYS N . 25914 1 389 . 1 1 35 35 GLU H H 1 8.006 0.008 . 1 . . . A 33 GLU H . 25914 1 390 . 1 1 35 35 GLU HA H 1 4.253 0.017 . 1 . . . A 33 GLU HA . 25914 1 391 . 1 1 35 35 GLU HB2 H 1 2.343 0.025 . 2 . . . A 33 GLU HB2 . 25914 1 392 . 1 1 35 35 GLU HB3 H 1 2.297 0.004 . 2 . . . A 33 GLU HB3 . 25914 1 393 . 1 1 35 35 GLU HG2 H 1 2.222 0.012 . 2 . . . A 33 GLU HG2 . 25914 1 394 . 1 1 35 35 GLU HG3 H 1 2.093 0.005 . 2 . . . A 33 GLU HG3 . 25914 1 395 . 1 1 35 35 GLU C C 13 174.816 0.000 . 1 . . . A 33 GLU C . 25914 1 396 . 1 1 35 35 GLU CA C 13 57.889 0.223 . 1 . . . A 33 GLU CA . 25914 1 397 . 1 1 35 35 GLU CB C 13 26.776 0.169 . 1 . . . A 33 GLU CB . 25914 1 398 . 1 1 35 35 GLU CG C 13 36.884 0.170 . 1 . . . A 33 GLU CG . 25914 1 399 . 1 1 35 35 GLU N N 15 119.064 0.122 . 1 . . . A 33 GLU N . 25914 1 400 . 1 1 36 36 SER H H 1 8.596 0.005 . 1 . . . A 34 SER H . 25914 1 401 . 1 1 36 36 SER HA H 1 5.094 0.018 . 1 . . . A 34 SER HA . 25914 1 402 . 1 1 36 36 SER HB2 H 1 4.561 0.009 . 2 . . . A 34 SER HB2 . 25914 1 403 . 1 1 36 36 SER HB3 H 1 4.310 0.007 . 2 . . . A 34 SER HB3 . 25914 1 404 . 1 1 36 36 SER C C 13 174.178 0.000 . 1 . . . A 34 SER C . 25914 1 405 . 1 1 36 36 SER CA C 13 58.007 0.100 . 1 . . . A 34 SER CA . 25914 1 406 . 1 1 36 36 SER CB C 13 66.113 0.096 . 1 . . . A 34 SER CB . 25914 1 407 . 1 1 36 36 SER N N 15 117.186 0.029 . 1 . . . A 34 SER N . 25914 1 408 . 1 1 37 37 GLY H H 1 8.626 0.041 . 1 . . . A 35 GLY H . 25914 1 409 . 1 1 37 37 GLY HA2 H 1 4.815 0.008 . 2 . . . A 35 GLY HA2 . 25914 1 410 . 1 1 37 37 GLY HA3 H 1 3.379 0.011 . 2 . . . A 35 GLY HA3 . 25914 1 411 . 1 1 37 37 GLY C C 13 176.050 0.000 . 1 . . . A 35 GLY C . 25914 1 412 . 1 1 37 37 GLY CA C 13 44.802 0.122 . 1 . . . A 35 GLY CA . 25914 1 413 . 1 1 37 37 GLY N N 15 107.077 0.093 . 1 . . . A 35 GLY N . 25914 1 414 . 1 1 38 38 PHE H H 1 8.276 0.005 . 1 . . . A 36 PHE H . 25914 1 415 . 1 1 38 38 PHE HA H 1 4.141 0.014 . 1 . . . A 36 PHE HA . 25914 1 416 . 1 1 38 38 PHE HB2 H 1 3.432 0.010 . 2 . . . A 36 PHE HB2 . 25914 1 417 . 1 1 38 38 PHE HB3 H 1 3.248 0.012 . 2 . . . A 36 PHE HB3 . 25914 1 418 . 1 1 38 38 PHE HD1 H 1 7.407 0.017 . 3 . . . A 36 PHE HD1 . 25914 1 419 . 1 1 38 38 PHE HD2 H 1 7.407 0.017 . 3 . . . A 36 PHE HD2 . 25914 1 420 . 1 1 38 38 PHE HE1 H 1 7.716 0.023 . 3 . . . A 36 PHE HE1 . 25914 1 421 . 1 1 38 38 PHE HE2 H 1 7.716 0.023 . 3 . . . A 36 PHE HE2 . 25914 1 422 . 1 1 38 38 PHE HZ H 1 7.305 0.015 . 1 . . . A 36 PHE HZ . 25914 1 423 . 1 1 38 38 PHE C C 13 174.679 0.000 . 1 . . . A 36 PHE C . 25914 1 424 . 1 1 38 38 PHE CA C 13 57.258 0.055 . 1 . . . A 36 PHE CA . 25914 1 425 . 1 1 38 38 PHE CB C 13 37.714 0.132 . 1 . . . A 36 PHE CB . 25914 1 426 . 1 1 38 38 PHE CD1 C 13 133.012 0.039 . 3 . . . A 36 PHE CD1 . 25914 1 427 . 1 1 38 38 PHE CD2 C 13 133.012 0.039 . 3 . . . A 36 PHE CD2 . 25914 1 428 . 1 1 38 38 PHE CE1 C 13 132.154 0.019 . 3 . . . A 36 PHE CE1 . 25914 1 429 . 1 1 38 38 PHE CE2 C 13 132.154 0.019 . 3 . . . A 36 PHE CE2 . 25914 1 430 . 1 1 38 38 PHE CZ C 13 130.418 0.000 . 1 . . . A 36 PHE CZ . 25914 1 431 . 1 1 38 38 PHE N N 15 123.617 0.007 . 1 . . . A 36 PHE N . 25914 1 432 . 1 1 39 39 ILE H H 1 7.726 0.018 . 1 . . . A 37 ILE H . 25914 1 433 . 1 1 39 39 ILE HA H 1 5.912 0.013 . 1 . . . A 37 ILE HA . 25914 1 434 . 1 1 39 39 ILE HB H 1 1.758 0.013 . 1 . . . A 37 ILE HB . 25914 1 435 . 1 1 39 39 ILE HG12 H 1 1.440 0.012 . 2 . . . A 37 ILE HG12 . 25914 1 436 . 1 1 39 39 ILE HG13 H 1 1.000 0.008 . 2 . . . A 37 ILE HG13 . 25914 1 437 . 1 1 39 39 ILE HG21 H 1 0.890 0.010 . 1 . . . A 37 ILE HG21 . 25914 1 438 . 1 1 39 39 ILE HG22 H 1 0.890 0.010 . 1 . . . A 37 ILE HG22 . 25914 1 439 . 1 1 39 39 ILE HG23 H 1 0.890 0.010 . 1 . . . A 37 ILE HG23 . 25914 1 440 . 1 1 39 39 ILE HD11 H 1 0.545 0.023 . 1 . . . A 37 ILE HD11 . 25914 1 441 . 1 1 39 39 ILE HD12 H 1 0.545 0.023 . 1 . . . A 37 ILE HD12 . 25914 1 442 . 1 1 39 39 ILE HD13 H 1 0.545 0.023 . 1 . . . A 37 ILE HD13 . 25914 1 443 . 1 1 39 39 ILE C C 13 174.123 0.000 . 1 . . . A 37 ILE C . 25914 1 444 . 1 1 39 39 ILE CA C 13 57.928 0.122 . 1 . . . A 37 ILE CA . 25914 1 445 . 1 1 39 39 ILE CB C 13 41.343 0.137 . 1 . . . A 37 ILE CB . 25914 1 446 . 1 1 39 39 ILE CG1 C 13 26.169 0.107 . 1 . . . A 37 ILE CG1 . 25914 1 447 . 1 1 39 39 ILE CG2 C 13 18.401 0.093 . 1 . . . A 37 ILE CG2 . 25914 1 448 . 1 1 39 39 ILE CD1 C 13 15.088 0.088 . 1 . . . A 37 ILE CD1 . 25914 1 449 . 1 1 39 39 ILE N N 15 115.140 0.094 . 1 . . . A 37 ILE N . 25914 1 450 . 1 1 40 40 GLU H H 1 9.056 0.011 . 1 . . . A 38 GLU H . 25914 1 451 . 1 1 40 40 GLU HA H 1 5.002 0.026 . 1 . . . A 38 GLU HA . 25914 1 452 . 1 1 40 40 GLU HB2 H 1 2.279 0.013 . 2 . . . A 38 GLU HB2 . 25914 1 453 . 1 1 40 40 GLU HB3 H 1 2.096 0.029 . 2 . . . A 38 GLU HB3 . 25914 1 454 . 1 1 40 40 GLU HG2 H 1 2.411 0.024 . 2 . . . A 38 GLU HG2 . 25914 1 455 . 1 1 40 40 GLU C C 13 174.103 0.000 . 1 . . . A 38 GLU C . 25914 1 456 . 1 1 40 40 GLU CA C 13 54.517 0.105 . 1 . . . A 38 GLU CA . 25914 1 457 . 1 1 40 40 GLU CB C 13 35.512 0.164 . 1 . . . A 38 GLU CB . 25914 1 458 . 1 1 40 40 GLU CG C 13 36.049 0.099 . 1 . . . A 38 GLU CG . 25914 1 459 . 1 1 40 40 GLU N N 15 121.115 0.147 . 1 . . . A 38 GLU N . 25914 1 460 . 1 1 41 41 GLU H H 1 9.279 0.036 . 1 . . . A 39 GLU H . 25914 1 461 . 1 1 41 41 GLU HA H 1 3.749 0.022 . 1 . . . A 39 GLU HA . 25914 1 462 . 1 1 41 41 GLU HB2 H 1 2.031 0.007 . 2 . . . A 39 GLU HB2 . 25914 1 463 . 1 1 41 41 GLU HB3 H 1 1.824 0.009 . 2 . . . A 39 GLU HB3 . 25914 1 464 . 1 1 41 41 GLU HG2 H 1 2.538 0.028 . 2 . . . A 39 GLU HG2 . 25914 1 465 . 1 1 41 41 GLU HG3 H 1 2.022 0.005 . 2 . . . A 39 GLU HG3 . 25914 1 466 . 1 1 41 41 GLU C C 13 175.154 0.017 . 1 . . . A 39 GLU C . 25914 1 467 . 1 1 41 41 GLU CA C 13 56.707 0.129 . 1 . . . A 39 GLU CA . 25914 1 468 . 1 1 41 41 GLU CB C 13 30.099 0.077 . 1 . . . A 39 GLU CB . 25914 1 469 . 1 1 41 41 GLU CG C 13 35.852 0.064 . 1 . . . A 39 GLU CG . 25914 1 470 . 1 1 41 41 GLU N N 15 128.638 0.121 . 1 . . . A 39 GLU N . 25914 1 471 . 1 1 42 42 LEU H H 1 8.119 0.004 . 1 . . . A 40 LEU H . 25914 1 472 . 1 1 42 42 LEU HA H 1 4.298 0.006 . 1 . . . A 40 LEU HA . 25914 1 473 . 1 1 42 42 LEU HB2 H 1 1.544 0.013 . 2 . . . A 40 LEU HB2 . 25914 1 474 . 1 1 42 42 LEU HG H 1 1.590 0.009 . 1 . . . A 40 LEU HG . 25914 1 475 . 1 1 42 42 LEU HD11 H 1 0.859 0.006 . 2 . . . A 40 LEU HD11 . 25914 1 476 . 1 1 42 42 LEU HD12 H 1 0.859 0.006 . 2 . . . A 40 LEU HD12 . 25914 1 477 . 1 1 42 42 LEU HD13 H 1 0.859 0.006 . 2 . . . A 40 LEU HD13 . 25914 1 478 . 1 1 42 42 LEU HD21 H 1 0.823 0.013 . 2 . . . A 40 LEU HD21 . 25914 1 479 . 1 1 42 42 LEU HD22 H 1 0.823 0.013 . 2 . . . A 40 LEU HD22 . 25914 1 480 . 1 1 42 42 LEU HD23 H 1 0.823 0.013 . 2 . . . A 40 LEU HD23 . 25914 1 481 . 1 1 42 42 LEU CA C 13 56.082 0.123 . 1 . . . A 40 LEU CA . 25914 1 482 . 1 1 42 42 LEU CB C 13 43.386 0.189 . 1 . . . A 40 LEU CB . 25914 1 483 . 1 1 42 42 LEU CG C 13 27.370 0.086 . 1 . . . A 40 LEU CG . 25914 1 484 . 1 1 42 42 LEU CD1 C 13 25.934 0.087 . 2 . . . A 40 LEU CD1 . 25914 1 485 . 1 1 42 42 LEU CD2 C 13 23.167 0.117 . 2 . . . A 40 LEU CD2 . 25914 1 486 . 1 1 42 42 LEU N N 15 132.328 0.189 . 1 . . . A 40 LEU N . 25914 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 25914 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 11 '2D 1H-15N HSQC' . . . 25914 2 12 '2D 1H-13C HSQC' . . . 25914 2 13 '3D HNCACB' . . . 25914 2 14 '3D CBCA(CO)NH' . . . 25914 2 15 '3D HNCO' . . . 25914 2 16 '3D HN(CA)CO' . . . 25914 2 17 '3D 1H-15N NOESY' . . . 25914 2 20 '3D HCCH-TOCSY' . . . 25914 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 2 2 8 8 HIS HA H 1 4.129 0.000 . 1 . . . B 9 HIS HA . 25914 2 2 . 2 2 8 8 HIS HB2 H 1 3.410 0.000 . 2 . . . B 9 HIS HB2 . 25914 2 3 . 2 2 8 8 HIS HB3 H 1 3.364 0.000 . 2 . . . B 9 HIS HB3 . 25914 2 4 . 2 2 8 8 HIS CA C 13 56.877 0.000 . 1 . . . B 9 HIS CA . 25914 2 5 . 2 2 8 8 HIS CB C 13 29.594 0.000 . 1 . . . B 9 HIS CB . 25914 2 6 . 2 2 9 9 VAL HA H 1 4.212 0.014 . 1 . . . B 10 VAL HA . 25914 2 7 . 2 2 9 9 VAL HB H 1 2.166 0.005 . 1 . . . B 10 VAL HB . 25914 2 8 . 2 2 9 9 VAL HG11 H 1 1.026 0.005 . 2 . . . B 10 VAL HG11 . 25914 2 9 . 2 2 9 9 VAL HG12 H 1 1.026 0.005 . 2 . . . B 10 VAL HG12 . 25914 2 10 . 2 2 9 9 VAL HG13 H 1 1.026 0.005 . 2 . . . B 10 VAL HG13 . 25914 2 11 . 2 2 9 9 VAL HG21 H 1 1.011 0.003 . 2 . . . B 10 VAL HG21 . 25914 2 12 . 2 2 9 9 VAL HG22 H 1 1.011 0.003 . 2 . . . B 10 VAL HG22 . 25914 2 13 . 2 2 9 9 VAL HG23 H 1 1.011 0.003 . 2 . . . B 10 VAL HG23 . 25914 2 14 . 2 2 9 9 VAL C C 13 175.728 0.000 . 1 . . . B 10 VAL C . 25914 2 15 . 2 2 9 9 VAL CA C 13 62.260 0.003 . 1 . . . B 10 VAL CA . 25914 2 16 . 2 2 9 9 VAL CB C 13 32.894 0.055 . 1 . . . B 10 VAL CB . 25914 2 17 . 2 2 9 9 VAL CG1 C 13 20.994 0.067 . 2 . . . B 10 VAL CG1 . 25914 2 18 . 2 2 9 9 VAL CG2 C 13 20.297 0.187 . 2 . . . B 10 VAL CG2 . 25914 2 19 . 2 2 10 10 ASP H H 1 8.605 0.004 . 1 . . . B 11 ASP H . 25914 2 20 . 2 2 10 10 ASP HA H 1 4.713 0.011 . 1 . . . B 11 ASP HA . 25914 2 21 . 2 2 10 10 ASP HB2 H 1 2.828 0.002 . 2 . . . B 11 ASP HB2 . 25914 2 22 . 2 2 10 10 ASP HB3 H 1 2.749 0.002 . 2 . . . B 11 ASP HB3 . 25914 2 23 . 2 2 10 10 ASP CA C 13 54.703 0.008 . 1 . . . B 11 ASP CA . 25914 2 24 . 2 2 10 10 ASP CB C 13 41.091 0.069 . 1 . . . B 11 ASP CB . 25914 2 25 . 2 2 10 10 ASP N N 15 123.846 0.121 . 1 . . . B 11 ASP N . 25914 2 26 . 2 2 11 11 ASP H H 1 8.370 0.002 . 1 . . . B 12 ASP H . 25914 2 27 . 2 2 11 11 ASP N N 15 120.850 0.062 . 1 . . . B 12 ASP N . 25914 2 28 . 2 2 12 12 ASP H H 1 8.365 0.000 . 1 . . . B 13 ASP H . 25914 2 29 . 2 2 12 12 ASP N N 15 120.809 0.000 . 1 . . . B 13 ASP N . 25914 2 30 . 2 2 13 13 ASP H H 1 8.360 0.004 . 1 . . . B 14 ASP H . 25914 2 31 . 2 2 13 13 ASP HA H 1 4.696 0.000 . 1 . . . B 14 ASP HA . 25914 2 32 . 2 2 13 13 ASP HB2 H 1 2.821 0.014 . 2 . . . B 14 ASP HB2 . 25914 2 33 . 2 2 13 13 ASP C C 13 176.240 0.000 . 1 . . . B 14 ASP C . 25914 2 34 . 2 2 13 13 ASP CA C 13 54.385 0.000 . 1 . . . B 14 ASP CA . 25914 2 35 . 2 2 13 13 ASP CB C 13 40.905 0.000 . 1 . . . B 14 ASP CB . 25914 2 36 . 2 2 13 13 ASP N N 15 120.710 0.032 . 1 . . . B 14 ASP N . 25914 2 37 . 2 2 14 14 LYS H H 1 8.155 0.004 . 1 . . . B 15 LYS H . 25914 2 38 . 2 2 14 14 LYS HA H 1 4.420 0.009 . 1 . . . B 15 LYS HA . 25914 2 39 . 2 2 14 14 LYS HB2 H 1 1.977 0.011 . 2 . . . B 15 LYS HB2 . 25914 2 40 . 2 2 14 14 LYS HG2 H 1 1.611 0.003 . 2 . . . B 15 LYS HG2 . 25914 2 41 . 2 2 14 14 LYS HG3 H 1 1.545 0.002 . 2 . . . B 15 LYS HG3 . 25914 2 42 . 2 2 14 14 LYS HD2 H 1 1.793 0.008 . 2 . . . B 15 LYS HD2 . 25914 2 43 . 2 2 14 14 LYS HE2 H 1 3.122 0.008 . 2 . . . B 15 LYS HE2 . 25914 2 44 . 2 2 14 14 LYS C C 13 176.316 0.000 . 1 . . . B 15 LYS C . 25914 2 45 . 2 2 14 14 LYS CA C 13 56.410 0.000 . 1 . . . B 15 LYS CA . 25914 2 46 . 2 2 14 14 LYS CB C 13 32.975 0.000 . 1 . . . B 15 LYS CB . 25914 2 47 . 2 2 14 14 LYS CG C 13 24.959 0.053 . 1 . . . B 15 LYS CG . 25914 2 48 . 2 2 14 14 LYS CD C 13 28.917 0.000 . 1 . . . B 15 LYS CD . 25914 2 49 . 2 2 14 14 LYS CE C 13 42.129 0.000 . 1 . . . B 15 LYS CE . 25914 2 50 . 2 2 14 14 LYS N N 15 121.124 0.099 . 1 . . . B 15 LYS N . 25914 2 51 . 2 2 15 15 MET H H 1 8.390 0.007 . 1 . . . B 16 MET H . 25914 2 52 . 2 2 15 15 MET HA H 1 4.909 0.032 . 1 . . . B 16 MET HA . 25914 2 53 . 2 2 15 15 MET HB2 H 1 1.769 0.011 . 2 . . . B 16 MET HB2 . 25914 2 54 . 2 2 15 15 MET C C 13 175.563 0.000 . 1 . . . B 16 MET C . 25914 2 55 . 2 2 15 15 MET CA C 13 54.210 0.017 . 1 . . . B 16 MET CA . 25914 2 56 . 2 2 15 15 MET CB C 13 34.222 0.016 . 1 . . . B 16 MET CB . 25914 2 57 . 2 2 15 15 MET N N 15 121.114 0.118 . 1 . . . B 16 MET N . 25914 2 58 . 2 2 16 16 LEU H H 1 9.614 0.005 . 1 . . . B 17 LEU H . 25914 2 59 . 2 2 16 16 LEU HA H 1 4.650 0.007 . 1 . . . B 17 LEU HA . 25914 2 60 . 2 2 16 16 LEU HB2 H 1 1.532 0.008 . 2 . . . B 17 LEU HB2 . 25914 2 61 . 2 2 16 16 LEU HB3 H 1 1.357 0.012 . 2 . . . B 17 LEU HB3 . 25914 2 62 . 2 2 16 16 LEU HG H 1 1.525 0.006 . 1 . . . B 17 LEU HG . 25914 2 63 . 2 2 16 16 LEU HD11 H 1 0.815 0.012 . 2 . . . B 17 LEU HD11 . 25914 2 64 . 2 2 16 16 LEU HD12 H 1 0.815 0.012 . 2 . . . B 17 LEU HD12 . 25914 2 65 . 2 2 16 16 LEU HD13 H 1 0.815 0.012 . 2 . . . B 17 LEU HD13 . 25914 2 66 . 2 2 16 16 LEU HD21 H 1 0.800 0.010 . 2 . . . B 17 LEU HD21 . 25914 2 67 . 2 2 16 16 LEU HD22 H 1 0.800 0.010 . 2 . . . B 17 LEU HD22 . 25914 2 68 . 2 2 16 16 LEU HD23 H 1 0.800 0.010 . 2 . . . B 17 LEU HD23 . 25914 2 69 . 2 2 16 16 LEU C C 13 174.238 0.000 . 1 . . . B 17 LEU C . 25914 2 70 . 2 2 16 16 LEU CA C 13 53.736 0.022 . 1 . . . B 17 LEU CA . 25914 2 71 . 2 2 16 16 LEU CB C 13 45.552 0.025 . 1 . . . B 17 LEU CB . 25914 2 72 . 2 2 16 16 LEU CG C 13 26.866 0.030 . 1 . . . B 17 LEU CG . 25914 2 73 . 2 2 16 16 LEU CD1 C 13 24.532 0.037 . 2 . . . B 17 LEU CD1 . 25914 2 74 . 2 2 16 16 LEU CD2 C 13 25.829 0.006 . 2 . . . B 17 LEU CD2 . 25914 2 75 . 2 2 16 16 LEU N N 15 123.370 0.074 . 1 . . . B 17 LEU N . 25914 2 76 . 2 2 17 17 GLU H H 1 8.590 0.008 . 1 . . . B 18 GLU H . 25914 2 77 . 2 2 17 17 GLU HA H 1 5.191 0.014 . 1 . . . B 18 GLU HA . 25914 2 78 . 2 2 17 17 GLU HB2 H 1 2.111 0.012 . 2 . . . B 18 GLU HB2 . 25914 2 79 . 2 2 17 17 GLU HB3 H 1 1.923 0.003 . 2 . . . B 18 GLU HB3 . 25914 2 80 . 2 2 17 17 GLU HG2 H 1 2.171 0.003 . 2 . . . B 18 GLU HG2 . 25914 2 81 . 2 2 17 17 GLU HG3 H 1 2.047 0.014 . 2 . . . B 18 GLU HG3 . 25914 2 82 . 2 2 17 17 GLU C C 13 175.085 0.000 . 1 . . . B 18 GLU C . 25914 2 83 . 2 2 17 17 GLU CA C 13 54.895 0.039 . 1 . . . B 18 GLU CA . 25914 2 84 . 2 2 17 17 GLU CB C 13 31.217 0.050 . 1 . . . B 18 GLU CB . 25914 2 85 . 2 2 17 17 GLU CG C 13 36.655 0.064 . 1 . . . B 18 GLU CG . 25914 2 86 . 2 2 17 17 GLU N N 15 124.839 0.094 . 1 . . . B 18 GLU N . 25914 2 87 . 2 2 18 18 VAL H H 1 9.342 0.007 . 1 . . . B 19 VAL H . 25914 2 88 . 2 2 18 18 VAL HA H 1 4.659 0.009 . 1 . . . B 19 VAL HA . 25914 2 89 . 2 2 18 18 VAL HB H 1 2.040 0.008 . 1 . . . B 19 VAL HB . 25914 2 90 . 2 2 18 18 VAL HG11 H 1 0.810 0.011 . 2 . . . B 19 VAL HG11 . 25914 2 91 . 2 2 18 18 VAL HG12 H 1 0.810 0.011 . 2 . . . B 19 VAL HG12 . 25914 2 92 . 2 2 18 18 VAL HG13 H 1 0.810 0.011 . 2 . . . B 19 VAL HG13 . 25914 2 93 . 2 2 18 18 VAL HG21 H 1 0.725 0.004 . 2 . . . B 19 VAL HG21 . 25914 2 94 . 2 2 18 18 VAL HG22 H 1 0.725 0.004 . 2 . . . B 19 VAL HG22 . 25914 2 95 . 2 2 18 18 VAL HG23 H 1 0.725 0.004 . 2 . . . B 19 VAL HG23 . 25914 2 96 . 2 2 18 18 VAL C C 13 173.635 0.000 . 1 . . . B 19 VAL C . 25914 2 97 . 2 2 18 18 VAL CA C 13 61.479 0.008 . 1 . . . B 19 VAL CA . 25914 2 98 . 2 2 18 18 VAL CB C 13 35.346 0.062 . 1 . . . B 19 VAL CB . 25914 2 99 . 2 2 18 18 VAL CG1 C 13 22.160 0.032 . 2 . . . B 19 VAL CG1 . 25914 2 100 . 2 2 18 18 VAL CG2 C 13 21.401 0.029 . 2 . . . B 19 VAL CG2 . 25914 2 101 . 2 2 18 18 VAL N N 15 126.101 0.076 . 1 . . . B 19 VAL N . 25914 2 102 . 2 2 19 19 LEU H H 1 8.344 0.009 . 1 . . . B 20 LEU H . 25914 2 103 . 2 2 19 19 LEU HA H 1 5.599 0.008 . 1 . . . B 20 LEU HA . 25914 2 104 . 2 2 19 19 LEU HB2 H 1 1.810 0.004 . 2 . . . B 20 LEU HB2 . 25914 2 105 . 2 2 19 19 LEU HB3 H 1 1.436 0.018 . 2 . . . B 20 LEU HB3 . 25914 2 106 . 2 2 19 19 LEU HG H 1 1.810 0.014 . 1 . . . B 20 LEU HG . 25914 2 107 . 2 2 19 19 LEU HD11 H 1 0.841 0.014 . 2 . . . B 20 LEU HD11 . 25914 2 108 . 2 2 19 19 LEU HD12 H 1 0.841 0.014 . 2 . . . B 20 LEU HD12 . 25914 2 109 . 2 2 19 19 LEU HD13 H 1 0.841 0.014 . 2 . . . B 20 LEU HD13 . 25914 2 110 . 2 2 19 19 LEU HD21 H 1 0.840 0.015 . 2 . . . B 20 LEU HD21 . 25914 2 111 . 2 2 19 19 LEU HD22 H 1 0.840 0.015 . 2 . . . B 20 LEU HD22 . 25914 2 112 . 2 2 19 19 LEU HD23 H 1 0.840 0.015 . 2 . . . B 20 LEU HD23 . 25914 2 113 . 2 2 19 19 LEU C C 13 176.015 0.000 . 1 . . . B 20 LEU C . 25914 2 114 . 2 2 19 19 LEU CA C 13 55.043 0.065 . 1 . . . B 20 LEU CA . 25914 2 115 . 2 2 19 19 LEU CB C 13 43.547 0.069 . 1 . . . B 20 LEU CB . 25914 2 116 . 2 2 19 19 LEU CG C 13 29.487 0.103 . 1 . . . B 20 LEU CG . 25914 2 117 . 2 2 19 19 LEU CD1 C 13 26.620 0.025 . 2 . . . B 20 LEU CD1 . 25914 2 118 . 2 2 19 19 LEU CD2 C 13 24.502 0.062 . 2 . . . B 20 LEU CD2 . 25914 2 119 . 2 2 19 19 LEU N N 15 128.633 0.090 . 1 . . . B 20 LEU N . 25914 2 120 . 2 2 20 20 VAL H H 1 9.470 0.006 . 1 . . . B 21 VAL H . 25914 2 121 . 2 2 20 20 VAL HA H 1 5.224 0.010 . 1 . . . B 21 VAL HA . 25914 2 122 . 2 2 20 20 VAL HB H 1 2.179 0.016 . 1 . . . B 21 VAL HB . 25914 2 123 . 2 2 20 20 VAL HG11 H 1 1.280 0.013 . 2 . . . B 21 VAL HG11 . 25914 2 124 . 2 2 20 20 VAL HG12 H 1 1.280 0.013 . 2 . . . B 21 VAL HG12 . 25914 2 125 . 2 2 20 20 VAL HG13 H 1 1.280 0.013 . 2 . . . B 21 VAL HG13 . 25914 2 126 . 2 2 20 20 VAL HG21 H 1 1.004 0.011 . 2 . . . B 21 VAL HG21 . 25914 2 127 . 2 2 20 20 VAL HG22 H 1 1.004 0.011 . 2 . . . B 21 VAL HG22 . 25914 2 128 . 2 2 20 20 VAL HG23 H 1 1.004 0.011 . 2 . . . B 21 VAL HG23 . 25914 2 129 . 2 2 20 20 VAL C C 13 175.544 0.000 . 1 . . . B 21 VAL C . 25914 2 130 . 2 2 20 20 VAL CA C 13 60.633 0.049 . 1 . . . B 21 VAL CA . 25914 2 131 . 2 2 20 20 VAL CB C 13 35.890 0.042 . 1 . . . B 21 VAL CB . 25914 2 132 . 2 2 20 20 VAL CG1 C 13 22.427 0.051 . 2 . . . B 21 VAL CG1 . 25914 2 133 . 2 2 20 20 VAL CG2 C 13 22.454 0.107 . 2 . . . B 21 VAL CG2 . 25914 2 134 . 2 2 20 20 VAL N N 15 121.043 0.073 . 1 . . . B 21 VAL N . 25914 2 135 . 2 2 21 21 LYS H H 1 9.163 0.007 . 1 . . . B 22 LYS H . 25914 2 136 . 2 2 21 21 LYS HA H 1 5.714 0.009 . 1 . . . B 22 LYS HA . 25914 2 137 . 2 2 21 21 LYS HB2 H 1 1.530 0.011 . 2 . . . B 22 LYS HB2 . 25914 2 138 . 2 2 21 21 LYS HB3 H 1 1.284 0.019 . 2 . . . B 22 LYS HB3 . 25914 2 139 . 2 2 21 21 LYS HG2 H 1 1.774 0.016 . 2 . . . B 22 LYS HG2 . 25914 2 140 . 2 2 21 21 LYS HG3 H 1 1.556 0.016 . 2 . . . B 22 LYS HG3 . 25914 2 141 . 2 2 21 21 LYS HD2 H 1 1.800 0.000 . 2 . . . B 22 LYS HD2 . 25914 2 142 . 2 2 21 21 LYS HE2 H 1 3.182 0.038 . 2 . . . B 22 LYS HE2 . 25914 2 143 . 2 2 21 21 LYS C C 13 174.818 0.000 . 1 . . . B 22 LYS C . 25914 2 144 . 2 2 21 21 LYS CA C 13 54.971 0.028 . 1 . . . B 22 LYS CA . 25914 2 145 . 2 2 21 21 LYS CB C 13 36.170 0.042 . 1 . . . B 22 LYS CB . 25914 2 146 . 2 2 21 21 LYS CG C 13 25.990 0.045 . 1 . . . B 22 LYS CG . 25914 2 147 . 2 2 21 21 LYS CD C 13 29.242 0.000 . 1 . . . B 22 LYS CD . 25914 2 148 . 2 2 21 21 LYS CE C 13 42.115 0.000 . 1 . . . B 22 LYS CE . 25914 2 149 . 2 2 21 21 LYS N N 15 133.267 0.103 . 1 . . . B 22 LYS N . 25914 2 150 . 2 2 22 22 THR H H 1 8.576 0.004 . 1 . . . B 23 THR H . 25914 2 151 . 2 2 22 22 THR HA H 1 5.451 0.010 . 1 . . . B 23 THR HA . 25914 2 152 . 2 2 22 22 THR HB H 1 4.798 0.015 . 1 . . . B 23 THR HB . 25914 2 153 . 2 2 22 22 THR HG21 H 1 1.440 0.018 . 1 . . . B 23 THR HG21 . 25914 2 154 . 2 2 22 22 THR HG22 H 1 1.440 0.018 . 1 . . . B 23 THR HG22 . 25914 2 155 . 2 2 22 22 THR HG23 H 1 1.440 0.018 . 1 . . . B 23 THR HG23 . 25914 2 156 . 2 2 22 22 THR C C 13 178.014 0.000 . 1 . . . B 23 THR C . 25914 2 157 . 2 2 22 22 THR CA C 13 59.709 0.050 . 1 . . . B 23 THR CA . 25914 2 158 . 2 2 22 22 THR CB C 13 71.023 0.011 . 1 . . . B 23 THR CB . 25914 2 159 . 2 2 22 22 THR CG2 C 13 24.265 0.043 . 1 . . . B 23 THR CG2 . 25914 2 160 . 2 2 22 22 THR N N 15 114.914 0.097 . 1 . . . B 23 THR N . 25914 2 161 . 2 2 23 23 LEU H H 1 9.816 0.003 . 1 . . . B 24 LEU H . 25914 2 162 . 2 2 23 23 LEU HA H 1 3.725 0.008 . 1 . . . B 24 LEU HA . 25914 2 163 . 2 2 23 23 LEU HB2 H 1 1.813 0.012 . 2 . . . B 24 LEU HB2 . 25914 2 164 . 2 2 23 23 LEU HB3 H 1 1.515 0.018 . 2 . . . B 24 LEU HB3 . 25914 2 165 . 2 2 23 23 LEU HG H 1 1.331 0.010 . 1 . . . B 24 LEU HG . 25914 2 166 . 2 2 23 23 LEU HD11 H 1 0.960 0.016 . 2 . . . B 24 LEU HD11 . 25914 2 167 . 2 2 23 23 LEU HD12 H 1 0.960 0.016 . 2 . . . B 24 LEU HD12 . 25914 2 168 . 2 2 23 23 LEU HD13 H 1 0.960 0.016 . 2 . . . B 24 LEU HD13 . 25914 2 169 . 2 2 23 23 LEU HD21 H 1 0.123 0.006 . 2 . . . B 24 LEU HD21 . 25914 2 170 . 2 2 23 23 LEU HD22 H 1 0.123 0.006 . 2 . . . B 24 LEU HD22 . 25914 2 171 . 2 2 23 23 LEU HD23 H 1 0.123 0.006 . 2 . . . B 24 LEU HD23 . 25914 2 172 . 2 2 23 23 LEU C C 13 177.144 0.000 . 1 . . . B 24 LEU C . 25914 2 173 . 2 2 23 23 LEU CA C 13 57.736 0.049 . 1 . . . B 24 LEU CA . 25914 2 174 . 2 2 23 23 LEU CB C 13 41.950 0.033 . 1 . . . B 24 LEU CB . 25914 2 175 . 2 2 23 23 LEU CG C 13 27.961 0.094 . 1 . . . B 24 LEU CG . 25914 2 176 . 2 2 23 23 LEU CD1 C 13 25.891 0.065 . 2 . . . B 24 LEU CD1 . 25914 2 177 . 2 2 23 23 LEU CD2 C 13 23.147 0.029 . 2 . . . B 24 LEU CD2 . 25914 2 178 . 2 2 23 23 LEU N N 15 123.319 0.085 . 1 . . . B 24 LEU N . 25914 2 179 . 2 2 24 24 ASP H H 1 8.136 0.008 . 1 . . . B 25 ASP H . 25914 2 180 . 2 2 24 24 ASP HA H 1 4.619 0.011 . 1 . . . B 25 ASP HA . 25914 2 181 . 2 2 24 24 ASP HB2 H 1 3.233 0.015 . 2 . . . B 25 ASP HB2 . 25914 2 182 . 2 2 24 24 ASP HB3 H 1 2.831 0.016 . 2 . . . B 25 ASP HB3 . 25914 2 183 . 2 2 24 24 ASP C C 13 176.563 0.000 . 1 . . . B 25 ASP C . 25914 2 184 . 2 2 24 24 ASP CA C 13 54.045 0.005 . 1 . . . B 25 ASP CA . 25914 2 185 . 2 2 24 24 ASP CB C 13 39.392 0.005 . 1 . . . B 25 ASP CB . 25914 2 186 . 2 2 24 24 ASP N N 15 119.703 0.115 . 1 . . . B 25 ASP N . 25914 2 187 . 2 2 25 25 SER H H 1 8.843 0.005 . 1 . . . B 26 SER H . 25914 2 188 . 2 2 25 25 SER HA H 1 4.283 0.008 . 1 . . . B 26 SER HA . 25914 2 189 . 2 2 25 25 SER HB2 H 1 4.363 0.006 . 2 . . . B 26 SER HB2 . 25914 2 190 . 2 2 25 25 SER HB3 H 1 4.358 0.000 . 2 . . . B 26 SER HB3 . 25914 2 191 . 2 2 25 25 SER C C 13 174.098 0.000 . 1 . . . B 26 SER C . 25914 2 192 . 2 2 25 25 SER CA C 13 61.175 0.000 . 1 . . . B 26 SER CA . 25914 2 193 . 2 2 25 25 SER CB C 13 61.969 0.000 . 1 . . . B 26 SER CB . 25914 2 194 . 2 2 25 25 SER N N 15 112.211 0.081 . 1 . . . B 26 SER N . 25914 2 195 . 2 2 26 26 GLN H H 1 7.947 0.004 . 1 . . . B 27 GLN H . 25914 2 196 . 2 2 26 26 GLN HA H 1 4.574 0.005 . 1 . . . B 27 GLN HA . 25914 2 197 . 2 2 26 26 GLN HB2 H 1 2.155 0.010 . 2 . . . B 27 GLN HB2 . 25914 2 198 . 2 2 26 26 GLN HB3 H 1 2.084 0.003 . 2 . . . B 27 GLN HB3 . 25914 2 199 . 2 2 26 26 GLN HG2 H 1 2.402 0.007 . 2 . . . B 27 GLN HG2 . 25914 2 200 . 2 2 26 26 GLN HG3 H 1 2.248 0.003 . 2 . . . B 27 GLN HG3 . 25914 2 201 . 2 2 26 26 GLN HE21 H 1 6.965 0.005 . 1 . . . B 27 GLN HE21 . 25914 2 202 . 2 2 26 26 GLN HE22 H 1 7.702 0.010 . 1 . . . B 27 GLN HE22 . 25914 2 203 . 2 2 26 26 GLN C C 13 175.257 0.000 . 1 . . . B 27 GLN C . 25914 2 204 . 2 2 26 26 GLN CA C 13 56.361 0.008 . 1 . . . B 27 GLN CA . 25914 2 205 . 2 2 26 26 GLN CB C 13 30.018 0.004 . 1 . . . B 27 GLN CB . 25914 2 206 . 2 2 26 26 GLN CG C 13 34.687 0.015 . 1 . . . B 27 GLN CG . 25914 2 207 . 2 2 26 26 GLN N N 15 121.456 0.086 . 1 . . . B 27 GLN N . 25914 2 208 . 2 2 26 26 GLN NE2 N 15 113.226 0.020 . 1 . . . B 27 GLN NE2 . 25914 2 209 . 2 2 27 27 THR H H 1 8.620 0.007 . 1 . . . B 28 THR H . 25914 2 210 . 2 2 27 27 THR HA H 1 5.179 0.007 . 1 . . . B 28 THR HA . 25914 2 211 . 2 2 27 27 THR HB H 1 4.018 0.006 . 1 . . . B 28 THR HB . 25914 2 212 . 2 2 27 27 THR HG21 H 1 1.191 0.007 . 1 . . . B 28 THR HG21 . 25914 2 213 . 2 2 27 27 THR HG22 H 1 1.191 0.007 . 1 . . . B 28 THR HG22 . 25914 2 214 . 2 2 27 27 THR HG23 H 1 1.191 0.007 . 1 . . . B 28 THR HG23 . 25914 2 215 . 2 2 27 27 THR C C 13 174.184 0.000 . 1 . . . B 28 THR C . 25914 2 216 . 2 2 27 27 THR CA C 13 62.155 0.010 . 1 . . . B 28 THR CA . 25914 2 217 . 2 2 27 27 THR CB C 13 69.829 0.020 . 1 . . . B 28 THR CB . 25914 2 218 . 2 2 27 27 THR CG2 C 13 22.086 0.095 . 1 . . . B 28 THR CG2 . 25914 2 219 . 2 2 27 27 THR N N 15 118.286 0.080 . 1 . . . B 28 THR N . 25914 2 220 . 2 2 28 28 ARG H H 1 8.963 0.010 . 1 . . . B 29 ARG H . 25914 2 221 . 2 2 28 28 ARG HA H 1 4.664 0.019 . 1 . . . B 29 ARG HA . 25914 2 222 . 2 2 28 28 ARG HB2 H 1 1.583 0.022 . 2 . . . B 29 ARG HB2 . 25914 2 223 . 2 2 28 28 ARG HB3 H 1 1.445 0.007 . 2 . . . B 29 ARG HB3 . 25914 2 224 . 2 2 28 28 ARG HG2 H 1 1.771 0.006 . 2 . . . B 29 ARG HG2 . 25914 2 225 . 2 2 28 28 ARG HG3 H 1 1.645 0.004 . 2 . . . B 29 ARG HG3 . 25914 2 226 . 2 2 28 28 ARG HD2 H 1 3.226 0.004 . 2 . . . B 29 ARG HD2 . 25914 2 227 . 2 2 28 28 ARG HD3 H 1 3.074 0.007 . 2 . . . B 29 ARG HD3 . 25914 2 228 . 2 2 28 28 ARG HE H 1 7.428 0.001 . 1 . . . B 29 ARG HE . 25914 2 229 . 2 2 28 28 ARG C C 13 174.185 0.000 . 1 . . . B 29 ARG C . 25914 2 230 . 2 2 28 28 ARG CA C 13 54.807 0.002 . 1 . . . B 29 ARG CA . 25914 2 231 . 2 2 28 28 ARG CB C 13 34.833 0.083 . 1 . . . B 29 ARG CB . 25914 2 232 . 2 2 28 28 ARG CG C 13 29.287 0.006 . 1 . . . B 29 ARG CG . 25914 2 233 . 2 2 28 28 ARG CD C 13 43.807 0.054 . 1 . . . B 29 ARG CD . 25914 2 234 . 2 2 28 28 ARG N N 15 127.963 0.075 . 1 . . . B 29 ARG N . 25914 2 235 . 2 2 28 28 ARG NE N 15 86.268 0.052 . 1 . . . B 29 ARG NE . 25914 2 236 . 2 2 29 29 THR H H 1 8.382 0.006 . 1 . . . B 30 THR H . 25914 2 237 . 2 2 29 29 THR HA H 1 4.899 0.025 . 1 . . . B 30 THR HA . 25914 2 238 . 2 2 29 29 THR HB H 1 3.893 0.004 . 1 . . . B 30 THR HB . 25914 2 239 . 2 2 29 29 THR HG21 H 1 1.193 0.006 . 1 . . . B 30 THR HG21 . 25914 2 240 . 2 2 29 29 THR HG22 H 1 1.193 0.006 . 1 . . . B 30 THR HG22 . 25914 2 241 . 2 2 29 29 THR HG23 H 1 1.193 0.006 . 1 . . . B 30 THR HG23 . 25914 2 242 . 2 2 29 29 THR C C 13 173.422 0.000 . 1 . . . B 30 THR C . 25914 2 243 . 2 2 29 29 THR CA C 13 62.446 0.000 . 1 . . . B 30 THR CA . 25914 2 244 . 2 2 29 29 THR CB C 13 69.796 0.038 . 1 . . . B 30 THR CB . 25914 2 245 . 2 2 29 29 THR CG2 C 13 21.733 0.015 . 1 . . . B 30 THR CG2 . 25914 2 246 . 2 2 29 29 THR N N 15 118.295 0.079 . 1 . . . B 30 THR N . 25914 2 247 . 2 2 30 30 PHE H H 1 9.469 0.007 . 1 . . . B 31 PHE H . 25914 2 248 . 2 2 30 30 PHE HA H 1 4.966 0.008 . 1 . . . B 31 PHE HA . 25914 2 249 . 2 2 30 30 PHE HB2 H 1 3.329 0.013 . 2 . . . B 31 PHE HB2 . 25914 2 250 . 2 2 30 30 PHE HB3 H 1 3.047 0.011 . 2 . . . B 31 PHE HB3 . 25914 2 251 . 2 2 30 30 PHE HD1 H 1 7.479 0.010 . 3 . . . B 31 PHE HD1 . 25914 2 252 . 2 2 30 30 PHE HD2 H 1 7.479 0.010 . 3 . . . B 31 PHE HD2 . 25914 2 253 . 2 2 30 30 PHE HE1 H 1 7.207 0.012 . 3 . . . B 31 PHE HE1 . 25914 2 254 . 2 2 30 30 PHE HE2 H 1 7.207 0.012 . 3 . . . B 31 PHE HE2 . 25914 2 255 . 2 2 30 30 PHE C C 13 173.263 0.000 . 1 . . . B 31 PHE C . 25914 2 256 . 2 2 30 30 PHE CA C 13 57.442 0.063 . 1 . . . B 31 PHE CA . 25914 2 257 . 2 2 30 30 PHE CB C 13 42.789 0.087 . 1 . . . B 31 PHE CB . 25914 2 258 . 2 2 30 30 PHE CD1 C 13 133.063 0.064 . 3 . . . B 31 PHE CD1 . 25914 2 259 . 2 2 30 30 PHE CD2 C 13 133.063 0.064 . 3 . . . B 31 PHE CD2 . 25914 2 260 . 2 2 30 30 PHE CE1 C 13 130.853 0.065 . 3 . . . B 31 PHE CE1 . 25914 2 261 . 2 2 30 30 PHE CE2 C 13 130.853 0.065 . 3 . . . B 31 PHE CE2 . 25914 2 262 . 2 2 30 30 PHE N N 15 126.111 0.075 . 1 . . . B 31 PHE N . 25914 2 263 . 2 2 31 31 ILE H H 1 8.557 0.006 . 1 . . . B 32 ILE H . 25914 2 264 . 2 2 31 31 ILE HA H 1 5.361 0.013 . 1 . . . B 32 ILE HA . 25914 2 265 . 2 2 31 31 ILE HB H 1 1.970 0.013 . 1 . . . B 32 ILE HB . 25914 2 266 . 2 2 31 31 ILE HG12 H 1 1.644 0.013 . 2 . . . B 32 ILE HG12 . 25914 2 267 . 2 2 31 31 ILE HG13 H 1 1.228 0.012 . 2 . . . B 32 ILE HG13 . 25914 2 268 . 2 2 31 31 ILE HG21 H 1 0.959 0.013 . 1 . . . B 32 ILE HG21 . 25914 2 269 . 2 2 31 31 ILE HG22 H 1 0.959 0.013 . 1 . . . B 32 ILE HG22 . 25914 2 270 . 2 2 31 31 ILE HG23 H 1 0.959 0.013 . 1 . . . B 32 ILE HG23 . 25914 2 271 . 2 2 31 31 ILE HD11 H 1 0.957 0.005 . 1 . . . B 32 ILE HD11 . 25914 2 272 . 2 2 31 31 ILE HD12 H 1 0.957 0.005 . 1 . . . B 32 ILE HD12 . 25914 2 273 . 2 2 31 31 ILE HD13 H 1 0.957 0.005 . 1 . . . B 32 ILE HD13 . 25914 2 274 . 2 2 31 31 ILE C C 13 176.850 0.000 . 1 . . . B 32 ILE C . 25914 2 275 . 2 2 31 31 ILE CA C 13 60.333 0.034 . 1 . . . B 32 ILE CA . 25914 2 276 . 2 2 31 31 ILE CB C 13 38.074 0.026 . 1 . . . B 32 ILE CB . 25914 2 277 . 2 2 31 31 ILE CG1 C 13 27.653 0.091 . 1 . . . B 32 ILE CG1 . 25914 2 278 . 2 2 31 31 ILE CG2 C 13 18.018 0.022 . 1 . . . B 32 ILE CG2 . 25914 2 279 . 2 2 31 31 ILE CD1 C 13 12.737 0.034 . 1 . . . B 32 ILE CD1 . 25914 2 280 . 2 2 31 31 ILE N N 15 124.468 0.067 . 1 . . . B 32 ILE N . 25914 2 281 . 2 2 32 32 VAL H H 1 9.167 0.008 . 1 . . . B 33 VAL H . 25914 2 282 . 2 2 32 32 VAL HA H 1 4.887 0.010 . 1 . . . B 33 VAL HA . 25914 2 283 . 2 2 32 32 VAL HB H 1 2.474 0.008 . 1 . . . B 33 VAL HB . 25914 2 284 . 2 2 32 32 VAL HG11 H 1 0.812 0.008 . 2 . . . B 33 VAL HG11 . 25914 2 285 . 2 2 32 32 VAL HG12 H 1 0.812 0.008 . 2 . . . B 33 VAL HG12 . 25914 2 286 . 2 2 32 32 VAL HG13 H 1 0.812 0.008 . 2 . . . B 33 VAL HG13 . 25914 2 287 . 2 2 32 32 VAL HG21 H 1 0.786 0.007 . 2 . . . B 33 VAL HG21 . 25914 2 288 . 2 2 32 32 VAL HG22 H 1 0.786 0.007 . 2 . . . B 33 VAL HG22 . 25914 2 289 . 2 2 32 32 VAL HG23 H 1 0.786 0.007 . 2 . . . B 33 VAL HG23 . 25914 2 290 . 2 2 32 32 VAL C C 13 174.670 0.000 . 1 . . . B 33 VAL C . 25914 2 291 . 2 2 32 32 VAL CA C 13 58.611 0.006 . 1 . . . B 33 VAL CA . 25914 2 292 . 2 2 32 32 VAL CB C 13 36.950 0.015 . 1 . . . B 33 VAL CB . 25914 2 293 . 2 2 32 32 VAL CG1 C 13 22.157 0.032 . 2 . . . B 33 VAL CG1 . 25914 2 294 . 2 2 32 32 VAL CG2 C 13 17.601 0.066 . 2 . . . B 33 VAL CG2 . 25914 2 295 . 2 2 32 32 VAL N N 15 121.419 0.076 . 1 . . . B 33 VAL N . 25914 2 296 . 2 2 33 33 GLY H H 1 8.456 0.009 . 1 . . . B 34 GLY H . 25914 2 297 . 2 2 33 33 GLY HA2 H 1 4.480 0.010 . 2 . . . B 34 GLY HA2 . 25914 2 298 . 2 2 33 33 GLY HA3 H 1 3.926 0.008 . 2 . . . B 34 GLY HA3 . 25914 2 299 . 2 2 33 33 GLY C C 13 174.530 0.000 . 1 . . . B 34 GLY C . 25914 2 300 . 2 2 33 33 GLY CA C 13 46.206 0.032 . 1 . . . B 34 GLY CA . 25914 2 301 . 2 2 33 33 GLY N N 15 109.031 0.096 . 1 . . . B 34 GLY N . 25914 2 302 . 2 2 34 34 ALA H H 1 8.332 0.015 . 1 . . . B 35 ALA H . 25914 2 303 . 2 2 34 34 ALA HA H 1 4.040 0.015 . 1 . . . B 35 ALA HA . 25914 2 304 . 2 2 34 34 ALA HB1 H 1 1.437 0.014 . 1 . . . B 35 ALA HB1 . 25914 2 305 . 2 2 34 34 ALA HB2 H 1 1.437 0.014 . 1 . . . B 35 ALA HB2 . 25914 2 306 . 2 2 34 34 ALA HB3 H 1 1.437 0.014 . 1 . . . B 35 ALA HB3 . 25914 2 307 . 2 2 34 34 ALA C C 13 178.565 0.000 . 1 . . . B 35 ALA C . 25914 2 308 . 2 2 34 34 ALA CA C 13 54.292 0.056 . 1 . . . B 35 ALA CA . 25914 2 309 . 2 2 34 34 ALA CB C 13 18.726 0.065 . 1 . . . B 35 ALA CB . 25914 2 310 . 2 2 34 34 ALA N N 15 122.698 0.109 . 1 . . . B 35 ALA N . 25914 2 311 . 2 2 35 35 GLN H H 1 8.647 0.009 . 1 . . . B 36 GLN H . 25914 2 312 . 2 2 35 35 GLN HA H 1 4.499 0.010 . 1 . . . B 36 GLN HA . 25914 2 313 . 2 2 35 35 GLN HB2 H 1 2.437 0.005 . 2 . . . B 36 GLN HB2 . 25914 2 314 . 2 2 35 35 GLN HB3 H 1 2.080 0.004 . 2 . . . B 36 GLN HB3 . 25914 2 315 . 2 2 35 35 GLN HG2 H 1 2.554 0.004 . 2 . . . B 36 GLN HG2 . 25914 2 316 . 2 2 35 35 GLN HE21 H 1 7.710 0.002 . 1 . . . B 36 GLN HE21 . 25914 2 317 . 2 2 35 35 GLN HE22 H 1 6.997 0.009 . 1 . . . B 36 GLN HE22 . 25914 2 318 . 2 2 35 35 GLN CA C 13 54.936 0.000 . 1 . . . B 36 GLN CA . 25914 2 319 . 2 2 35 35 GLN CB C 13 27.838 0.133 . 1 . . . B 36 GLN CB . 25914 2 320 . 2 2 35 35 GLN CG C 13 32.933 0.006 . 1 . . . B 36 GLN CG . 25914 2 321 . 2 2 35 35 GLN N N 15 114.556 0.079 . 1 . . . B 36 GLN N . 25914 2 322 . 2 2 35 35 GLN NE2 N 15 113.539 0.087 . 1 . . . B 36 GLN NE2 . 25914 2 323 . 2 2 36 36 MET H H 1 7.616 0.002 . 1 . . . B 37 MET H . 25914 2 324 . 2 2 36 36 MET HA H 1 4.260 0.008 . 1 . . . B 37 MET HA . 25914 2 325 . 2 2 36 36 MET HB2 H 1 2.351 0.010 . 2 . . . B 37 MET HB2 . 25914 2 326 . 2 2 36 36 MET HB3 H 1 2.065 0.014 . 2 . . . B 37 MET HB3 . 25914 2 327 . 2 2 36 36 MET HG2 H 1 3.202 0.006 . 2 . . . B 37 MET HG2 . 25914 2 328 . 2 2 36 36 MET HG3 H 1 2.745 0.013 . 2 . . . B 37 MET HG3 . 25914 2 329 . 2 2 36 36 MET C C 13 176.654 0.000 . 1 . . . B 37 MET C . 25914 2 330 . 2 2 36 36 MET CA C 13 57.937 0.068 . 1 . . . B 37 MET CA . 25914 2 331 . 2 2 36 36 MET CB C 13 34.491 0.022 . 1 . . . B 37 MET CB . 25914 2 332 . 2 2 36 36 MET CG C 13 32.863 0.116 . 1 . . . B 37 MET CG . 25914 2 333 . 2 2 36 36 MET N N 15 121.924 0.030 . 1 . . . B 37 MET N . 25914 2 334 . 2 2 37 37 ASN H H 1 9.061 0.008 . 1 . . . B 38 ASN H . 25914 2 335 . 2 2 37 37 ASN HA H 1 5.485 0.009 . 1 . . . B 38 ASN HA . 25914 2 336 . 2 2 37 37 ASN HB2 H 1 3.227 0.008 . 2 . . . B 38 ASN HB2 . 25914 2 337 . 2 2 37 37 ASN HB3 H 1 2.790 0.013 . 2 . . . B 38 ASN HB3 . 25914 2 338 . 2 2 37 37 ASN HD21 H 1 6.880 0.008 . 1 . . . B 38 ASN HD21 . 25914 2 339 . 2 2 37 37 ASN HD22 H 1 7.558 0.037 . 1 . . . B 38 ASN HD22 . 25914 2 340 . 2 2 37 37 ASN C C 13 175.642 0.000 . 1 . . . B 38 ASN C . 25914 2 341 . 2 2 37 37 ASN CA C 13 51.503 0.017 . 1 . . . B 38 ASN CA . 25914 2 342 . 2 2 37 37 ASN CB C 13 39.127 0.079 . 1 . . . B 38 ASN CB . 25914 2 343 . 2 2 37 37 ASN N N 15 124.709 0.084 . 1 . . . B 38 ASN N . 25914 2 344 . 2 2 37 37 ASN ND2 N 15 110.983 0.054 . 1 . . . B 38 ASN ND2 . 25914 2 345 . 2 2 38 38 VAL H H 1 8.607 0.005 . 1 . . . B 39 VAL H . 25914 2 346 . 2 2 38 38 VAL HA H 1 3.585 0.010 . 1 . . . B 39 VAL HA . 25914 2 347 . 2 2 38 38 VAL HB H 1 2.745 0.013 . 1 . . . B 39 VAL HB . 25914 2 348 . 2 2 38 38 VAL HG11 H 1 1.116 0.009 . 2 . . . B 39 VAL HG11 . 25914 2 349 . 2 2 38 38 VAL HG12 H 1 1.116 0.009 . 2 . . . B 39 VAL HG12 . 25914 2 350 . 2 2 38 38 VAL HG13 H 1 1.116 0.009 . 2 . . . B 39 VAL HG13 . 25914 2 351 . 2 2 38 38 VAL HG21 H 1 0.961 0.004 . 2 . . . B 39 VAL HG21 . 25914 2 352 . 2 2 38 38 VAL HG22 H 1 0.961 0.004 . 2 . . . B 39 VAL HG22 . 25914 2 353 . 2 2 38 38 VAL HG23 H 1 0.961 0.004 . 2 . . . B 39 VAL HG23 . 25914 2 354 . 2 2 38 38 VAL C C 13 177.013 0.000 . 1 . . . B 39 VAL C . 25914 2 355 . 2 2 38 38 VAL CA C 13 67.622 0.047 . 1 . . . B 39 VAL CA . 25914 2 356 . 2 2 38 38 VAL CB C 13 31.624 0.075 . 1 . . . B 39 VAL CB . 25914 2 357 . 2 2 38 38 VAL CG1 C 13 24.600 0.042 . 2 . . . B 39 VAL CG1 . 25914 2 358 . 2 2 38 38 VAL CG2 C 13 21.338 0.039 . 2 . . . B 39 VAL CG2 . 25914 2 359 . 2 2 38 38 VAL N N 15 120.901 0.096 . 1 . . . B 39 VAL N . 25914 2 360 . 2 2 39 39 LYS H H 1 8.551 0.004 . 1 . . . B 40 LYS H . 25914 2 361 . 2 2 39 39 LYS HA H 1 3.983 0.009 . 1 . . . B 40 LYS HA . 25914 2 362 . 2 2 39 39 LYS HB2 H 1 2.092 0.009 . 2 . . . B 40 LYS HB2 . 25914 2 363 . 2 2 39 39 LYS HB3 H 1 1.864 0.003 . 2 . . . B 40 LYS HB3 . 25914 2 364 . 2 2 39 39 LYS HG2 H 1 1.534 0.010 . 2 . . . B 40 LYS HG2 . 25914 2 365 . 2 2 39 39 LYS HG3 H 1 1.527 0.006 . 2 . . . B 40 LYS HG3 . 25914 2 366 . 2 2 39 39 LYS HD2 H 1 1.826 0.024 . 2 . . . B 40 LYS HD2 . 25914 2 367 . 2 2 39 39 LYS HE2 H 1 3.151 0.022 . 2 . . . B 40 LYS HE2 . 25914 2 368 . 2 2 39 39 LYS HE3 H 1 3.165 0.001 . 2 . . . B 40 LYS HE3 . 25914 2 369 . 2 2 39 39 LYS C C 13 178.701 0.000 . 1 . . . B 40 LYS C . 25914 2 370 . 2 2 39 39 LYS CA C 13 60.423 0.031 . 1 . . . B 40 LYS CA . 25914 2 371 . 2 2 39 39 LYS CB C 13 32.921 0.022 . 1 . . . B 40 LYS CB . 25914 2 372 . 2 2 39 39 LYS CG C 13 24.859 0.000 . 1 . . . B 40 LYS CG . 25914 2 373 . 2 2 39 39 LYS CD C 13 28.972 0.000 . 1 . . . B 40 LYS CD . 25914 2 374 . 2 2 39 39 LYS CE C 13 41.943 0.000 . 1 . . . B 40 LYS CE . 25914 2 375 . 2 2 39 39 LYS N N 15 122.820 0.059 . 1 . . . B 40 LYS N . 25914 2 376 . 2 2 40 40 GLU H H 1 8.628 0.004 . 1 . . . B 41 GLU H . 25914 2 377 . 2 2 40 40 GLU HA H 1 4.161 0.010 . 1 . . . B 41 GLU HA . 25914 2 378 . 2 2 40 40 GLU HB2 H 1 2.537 0.013 . 2 . . . B 41 GLU HB2 . 25914 2 379 . 2 2 40 40 GLU HB3 H 1 2.093 0.016 . 2 . . . B 41 GLU HB3 . 25914 2 380 . 2 2 40 40 GLU HG2 H 1 2.709 0.025 . 2 . . . B 41 GLU HG2 . 25914 2 381 . 2 2 40 40 GLU HG3 H 1 2.471 0.004 . 2 . . . B 41 GLU HG3 . 25914 2 382 . 2 2 40 40 GLU C C 13 180.059 0.000 . 1 . . . B 41 GLU C . 25914 2 383 . 2 2 40 40 GLU CA C 13 58.820 0.000 . 1 . . . B 41 GLU CA . 25914 2 384 . 2 2 40 40 GLU CB C 13 30.345 0.064 . 1 . . . B 41 GLU CB . 25914 2 385 . 2 2 40 40 GLU CG C 13 37.001 0.032 . 1 . . . B 41 GLU CG . 25914 2 386 . 2 2 40 40 GLU N N 15 118.731 0.082 . 1 . . . B 41 GLU N . 25914 2 387 . 2 2 41 41 PHE H H 1 8.865 0.004 . 1 . . . B 42 PHE H . 25914 2 388 . 2 2 41 41 PHE HA H 1 4.559 0.019 . 1 . . . B 42 PHE HA . 25914 2 389 . 2 2 41 41 PHE HB2 H 1 3.381 0.015 . 2 . . . B 42 PHE HB2 . 25914 2 390 . 2 2 41 41 PHE HB3 H 1 3.118 0.011 . 2 . . . B 42 PHE HB3 . 25914 2 391 . 2 2 41 41 PHE HD1 H 1 7.188 0.014 . 3 . . . B 42 PHE HD1 . 25914 2 392 . 2 2 41 41 PHE HD2 H 1 7.188 0.014 . 3 . . . B 42 PHE HD2 . 25914 2 393 . 2 2 41 41 PHE HE1 H 1 6.942 0.012 . 3 . . . B 42 PHE HE1 . 25914 2 394 . 2 2 41 41 PHE HE2 H 1 6.942 0.012 . 3 . . . B 42 PHE HE2 . 25914 2 395 . 2 2 41 41 PHE C C 13 176.769 0.000 . 1 . . . B 42 PHE C . 25914 2 396 . 2 2 41 41 PHE CA C 13 62.047 0.051 . 1 . . . B 42 PHE CA . 25914 2 397 . 2 2 41 41 PHE CB C 13 39.502 0.098 . 1 . . . B 42 PHE CB . 25914 2 398 . 2 2 41 41 PHE CD1 C 13 131.553 0.124 . 3 . . . B 42 PHE CD1 . 25914 2 399 . 2 2 41 41 PHE CD2 C 13 131.553 0.124 . 3 . . . B 42 PHE CD2 . 25914 2 400 . 2 2 41 41 PHE CE1 C 13 129.940 0.090 . 3 . . . B 42 PHE CE1 . 25914 2 401 . 2 2 41 41 PHE CE2 C 13 129.940 0.090 . 3 . . . B 42 PHE CE2 . 25914 2 402 . 2 2 41 41 PHE N N 15 124.971 0.079 . 1 . . . B 42 PHE N . 25914 2 403 . 2 2 42 42 LYS H H 1 8.702 0.003 . 1 . . . B 43 LYS H . 25914 2 404 . 2 2 42 42 LYS HA H 1 4.305 0.015 . 1 . . . B 43 LYS HA . 25914 2 405 . 2 2 42 42 LYS HB2 H 1 2.176 0.017 . 2 . . . B 43 LYS HB2 . 25914 2 406 . 2 2 42 42 LYS HB3 H 1 1.467 0.014 . 2 . . . B 43 LYS HB3 . 25914 2 407 . 2 2 42 42 LYS HG2 H 1 1.780 0.011 . 2 . . . B 43 LYS HG2 . 25914 2 408 . 2 2 42 42 LYS HG3 H 1 1.554 0.003 . 2 . . . B 43 LYS HG3 . 25914 2 409 . 2 2 42 42 LYS HD2 H 1 1.792 0.000 . 2 . . . B 43 LYS HD2 . 25914 2 410 . 2 2 42 42 LYS HE2 H 1 3.220 0.010 . 2 . . . B 43 LYS HE2 . 25914 2 411 . 2 2 42 42 LYS HE3 H 1 3.209 0.002 . 2 . . . B 43 LYS HE3 . 25914 2 412 . 2 2 42 42 LYS C C 13 180.310 0.000 . 1 . . . B 43 LYS C . 25914 2 413 . 2 2 42 42 LYS CA C 13 59.041 0.000 . 1 . . . B 43 LYS CA . 25914 2 414 . 2 2 42 42 LYS CB C 13 34.620 0.113 . 1 . . . B 43 LYS CB . 25914 2 415 . 2 2 42 42 LYS CG C 13 25.735 0.012 . 1 . . . B 43 LYS CG . 25914 2 416 . 2 2 42 42 LYS CD C 13 29.052 0.000 . 1 . . . B 43 LYS CD . 25914 2 417 . 2 2 42 42 LYS CE C 13 42.641 0.000 . 1 . . . B 43 LYS CE . 25914 2 418 . 2 2 42 42 LYS N N 15 120.501 0.063 . 1 . . . B 43 LYS N . 25914 2 419 . 2 2 43 43 GLU H H 1 7.946 0.012 . 1 . . . B 44 GLU H . 25914 2 420 . 2 2 43 43 GLU HA H 1 4.049 0.006 . 1 . . . B 44 GLU HA . 25914 2 421 . 2 2 43 43 GLU HB2 H 1 2.309 0.007 . 2 . . . B 44 GLU HB2 . 25914 2 422 . 2 2 43 43 GLU HB3 H 1 2.166 0.014 . 2 . . . B 44 GLU HB3 . 25914 2 423 . 2 2 43 43 GLU HG2 H 1 2.476 0.009 . 2 . . . B 44 GLU HG2 . 25914 2 424 . 2 2 43 43 GLU C C 13 178.704 0.000 . 1 . . . B 44 GLU C . 25914 2 425 . 2 2 43 43 GLU CA C 13 59.092 0.031 . 1 . . . B 44 GLU CA . 25914 2 426 . 2 2 43 43 GLU CB C 13 29.220 0.012 . 1 . . . B 44 GLU CB . 25914 2 427 . 2 2 43 43 GLU CG C 13 33.330 0.060 . 1 . . . B 44 GLU CG . 25914 2 428 . 2 2 43 43 GLU N N 15 117.153 0.107 . 1 . . . B 44 GLU N . 25914 2 429 . 2 2 44 44 HIS H H 1 8.500 0.007 . 1 . . . B 45 HIS H . 25914 2 430 . 2 2 44 44 HIS HA H 1 4.335 0.034 . 1 . . . B 45 HIS HA . 25914 2 431 . 2 2 44 44 HIS HB2 H 1 3.441 0.005 . 2 . . . B 45 HIS HB2 . 25914 2 432 . 2 2 44 44 HIS HB3 H 1 3.295 0.006 . 2 . . . B 45 HIS HB3 . 25914 2 433 . 2 2 44 44 HIS C C 13 177.365 0.044 . 1 . . . B 45 HIS C . 25914 2 434 . 2 2 44 44 HIS CA C 13 59.316 0.010 . 1 . . . B 45 HIS CA . 25914 2 435 . 2 2 44 44 HIS CB C 13 29.761 0.112 . 1 . . . B 45 HIS CB . 25914 2 436 . 2 2 44 44 HIS N N 15 120.583 0.166 . 1 . . . B 45 HIS N . 25914 2 437 . 2 2 45 45 ILE H H 1 7.835 0.004 . 1 . . . B 46 ILE H . 25914 2 438 . 2 2 45 45 ILE HA H 1 3.837 0.014 . 1 . . . B 46 ILE HA . 25914 2 439 . 2 2 45 45 ILE HB H 1 1.390 0.012 . 1 . . . B 46 ILE HB . 25914 2 440 . 2 2 45 45 ILE HG12 H 1 1.346 0.022 . 2 . . . B 46 ILE HG12 . 25914 2 441 . 2 2 45 45 ILE HG13 H 1 0.915 0.016 . 2 . . . B 46 ILE HG13 . 25914 2 442 . 2 2 45 45 ILE HG21 H 1 -0.867 0.007 . 1 . . . B 46 ILE HG21 . 25914 2 443 . 2 2 45 45 ILE HG22 H 1 -0.867 0.007 . 1 . . . B 46 ILE HG22 . 25914 2 444 . 2 2 45 45 ILE HG23 H 1 -0.867 0.007 . 1 . . . B 46 ILE HG23 . 25914 2 445 . 2 2 45 45 ILE HD11 H 1 0.468 0.009 . 1 . . . B 46 ILE HD11 . 25914 2 446 . 2 2 45 45 ILE HD12 H 1 0.468 0.009 . 1 . . . B 46 ILE HD12 . 25914 2 447 . 2 2 45 45 ILE HD13 H 1 0.468 0.009 . 1 . . . B 46 ILE HD13 . 25914 2 448 . 2 2 45 45 ILE C C 13 177.359 0.000 . 1 . . . B 46 ILE C . 25914 2 449 . 2 2 45 45 ILE CA C 13 61.931 0.023 . 1 . . . B 46 ILE CA . 25914 2 450 . 2 2 45 45 ILE CB C 13 39.134 0.027 . 1 . . . B 46 ILE CB . 25914 2 451 . 2 2 45 45 ILE CG1 C 13 25.298 0.133 . 1 . . . B 46 ILE CG1 . 25914 2 452 . 2 2 45 45 ILE CG2 C 13 14.911 0.039 . 1 . . . B 46 ILE CG2 . 25914 2 453 . 2 2 45 45 ILE CD1 C 13 14.084 0.029 . 1 . . . B 46 ILE CD1 . 25914 2 454 . 2 2 45 45 ILE N N 15 110.388 0.096 . 1 . . . B 46 ILE N . 25914 2 455 . 2 2 46 46 ALA H H 1 7.284 0.005 . 1 . . . B 47 ALA H . 25914 2 456 . 2 2 46 46 ALA HA H 1 3.967 0.005 . 1 . . . B 47 ALA HA . 25914 2 457 . 2 2 46 46 ALA HB1 H 1 1.561 0.005 . 1 . . . B 47 ALA HB1 . 25914 2 458 . 2 2 46 46 ALA HB2 H 1 1.561 0.005 . 1 . . . B 47 ALA HB2 . 25914 2 459 . 2 2 46 46 ALA HB3 H 1 1.561 0.005 . 1 . . . B 47 ALA HB3 . 25914 2 460 . 2 2 46 46 ALA C C 13 179.772 0.000 . 1 . . . B 47 ALA C . 25914 2 461 . 2 2 46 46 ALA CA C 13 55.937 0.038 . 1 . . . B 47 ALA CA . 25914 2 462 . 2 2 46 46 ALA CB C 13 19.055 0.037 . 1 . . . B 47 ALA CB . 25914 2 463 . 2 2 46 46 ALA N N 15 125.090 0.076 . 1 . . . B 47 ALA N . 25914 2 464 . 2 2 47 47 ALA H H 1 8.828 0.003 . 1 . . . B 48 ALA H . 25914 2 465 . 2 2 47 47 ALA HA H 1 4.230 0.003 . 1 . . . B 48 ALA HA . 25914 2 466 . 2 2 47 47 ALA HB1 H 1 1.527 0.006 . 1 . . . B 48 ALA HB1 . 25914 2 467 . 2 2 47 47 ALA HB2 H 1 1.527 0.006 . 1 . . . B 48 ALA HB2 . 25914 2 468 . 2 2 47 47 ALA HB3 H 1 1.527 0.006 . 1 . . . B 48 ALA HB3 . 25914 2 469 . 2 2 47 47 ALA C C 13 180.003 0.000 . 1 . . . B 48 ALA C . 25914 2 470 . 2 2 47 47 ALA CA C 13 54.607 0.002 . 1 . . . B 48 ALA CA . 25914 2 471 . 2 2 47 47 ALA CB C 13 17.862 0.009 . 1 . . . B 48 ALA CB . 25914 2 472 . 2 2 47 47 ALA N N 15 119.382 0.088 . 1 . . . B 48 ALA N . 25914 2 473 . 2 2 48 48 SER H H 1 8.142 0.006 . 1 . . . B 49 SER H . 25914 2 474 . 2 2 48 48 SER HA H 1 4.497 0.006 . 1 . . . B 49 SER HA . 25914 2 475 . 2 2 48 48 SER HB2 H 1 4.275 0.008 . 2 . . . B 49 SER HB2 . 25914 2 476 . 2 2 48 48 SER HB3 H 1 4.107 0.010 . 2 . . . B 49 SER HB3 . 25914 2 477 . 2 2 48 48 SER C C 13 176.117 0.000 . 1 . . . B 49 SER C . 25914 2 478 . 2 2 48 48 SER CA C 13 61.570 0.037 . 1 . . . B 49 SER CA . 25914 2 479 . 2 2 48 48 SER CB C 13 63.693 0.025 . 1 . . . B 49 SER CB . 25914 2 480 . 2 2 48 48 SER N N 15 114.771 0.106 . 1 . . . B 49 SER N . 25914 2 481 . 2 2 49 49 VAL H H 1 7.876 0.007 . 1 . . . B 50 VAL H . 25914 2 482 . 2 2 49 49 VAL HA H 1 4.455 0.016 . 1 . . . B 50 VAL HA . 25914 2 483 . 2 2 49 49 VAL HB H 1 2.434 0.007 . 1 . . . B 50 VAL HB . 25914 2 484 . 2 2 49 49 VAL HG11 H 1 0.953 0.008 . 2 . . . B 50 VAL HG11 . 25914 2 485 . 2 2 49 49 VAL HG12 H 1 0.953 0.008 . 2 . . . B 50 VAL HG12 . 25914 2 486 . 2 2 49 49 VAL HG13 H 1 0.953 0.008 . 2 . . . B 50 VAL HG13 . 25914 2 487 . 2 2 49 49 VAL HG21 H 1 0.907 0.009 . 2 . . . B 50 VAL HG21 . 25914 2 488 . 2 2 49 49 VAL HG22 H 1 0.907 0.009 . 2 . . . B 50 VAL HG22 . 25914 2 489 . 2 2 49 49 VAL HG23 H 1 0.907 0.009 . 2 . . . B 50 VAL HG23 . 25914 2 490 . 2 2 49 49 VAL C C 13 174.754 0.000 . 1 . . . B 50 VAL C . 25914 2 491 . 2 2 49 49 VAL CA C 13 60.950 0.041 . 1 . . . B 50 VAL CA . 25914 2 492 . 2 2 49 49 VAL CB C 13 31.823 0.081 . 1 . . . B 50 VAL CB . 25914 2 493 . 2 2 49 49 VAL CG1 C 13 21.179 0.079 . 2 . . . B 50 VAL CG1 . 25914 2 494 . 2 2 49 49 VAL CG2 C 13 18.839 0.033 . 2 . . . B 50 VAL CG2 . 25914 2 495 . 2 2 49 49 VAL N N 15 110.370 0.022 . 1 . . . B 50 VAL N . 25914 2 496 . 2 2 50 50 SER H H 1 7.819 0.005 . 1 . . . B 51 SER H . 25914 2 497 . 2 2 50 50 SER HA H 1 3.998 0.008 . 1 . . . B 51 SER HA . 25914 2 498 . 2 2 50 50 SER HB2 H 1 4.229 0.004 . 2 . . . B 51 SER HB2 . 25914 2 499 . 2 2 50 50 SER HB3 H 1 4.120 0.003 . 2 . . . B 51 SER HB3 . 25914 2 500 . 2 2 50 50 SER C C 13 173.759 0.000 . 1 . . . B 51 SER C . 25914 2 501 . 2 2 50 50 SER CA C 13 58.943 0.002 . 1 . . . B 51 SER CA . 25914 2 502 . 2 2 50 50 SER CB C 13 61.210 0.009 . 1 . . . B 51 SER CB . 25914 2 503 . 2 2 50 50 SER N N 15 114.274 0.092 . 1 . . . B 51 SER N . 25914 2 504 . 2 2 51 51 ILE H H 1 7.151 0.004 . 1 . . . B 52 ILE H . 25914 2 505 . 2 2 51 51 ILE HA H 1 4.683 0.011 . 1 . . . B 52 ILE HA . 25914 2 506 . 2 2 51 51 ILE HB H 1 1.483 0.016 . 1 . . . B 52 ILE HB . 25914 2 507 . 2 2 51 51 ILE HG12 H 1 1.756 0.018 . 2 . . . B 52 ILE HG12 . 25914 2 508 . 2 2 51 51 ILE HG21 H 1 0.984 0.016 . 1 . . . B 52 ILE HG21 . 25914 2 509 . 2 2 51 51 ILE HG22 H 1 0.984 0.016 . 1 . . . B 52 ILE HG22 . 25914 2 510 . 2 2 51 51 ILE HG23 H 1 0.984 0.016 . 1 . . . B 52 ILE HG23 . 25914 2 511 . 2 2 51 51 ILE HD11 H 1 0.810 0.007 . 1 . . . B 52 ILE HD11 . 25914 2 512 . 2 2 51 51 ILE HD12 H 1 0.810 0.007 . 1 . . . B 52 ILE HD12 . 25914 2 513 . 2 2 51 51 ILE HD13 H 1 0.810 0.007 . 1 . . . B 52 ILE HD13 . 25914 2 514 . 2 2 51 51 ILE CA C 13 58.149 0.077 . 1 . . . B 52 ILE CA . 25914 2 515 . 2 2 51 51 ILE CB C 13 42.802 0.018 . 1 . . . B 52 ILE CB . 25914 2 516 . 2 2 51 51 ILE CG1 C 13 26.766 0.010 . 1 . . . B 52 ILE CG1 . 25914 2 517 . 2 2 51 51 ILE CG2 C 13 17.620 0.013 . 1 . . . B 52 ILE CG2 . 25914 2 518 . 2 2 51 51 ILE CD1 C 13 13.774 0.013 . 1 . . . B 52 ILE CD1 . 25914 2 519 . 2 2 51 51 ILE N N 15 119.394 0.096 . 1 . . . B 52 ILE N . 25914 2 520 . 2 2 52 52 PRO HA H 1 4.482 0.010 . 1 . . . B 53 PRO HA . 25914 2 521 . 2 2 52 52 PRO HB2 H 1 2.560 0.007 . 2 . . . B 53 PRO HB2 . 25914 2 522 . 2 2 52 52 PRO HB3 H 1 1.996 0.004 . 2 . . . B 53 PRO HB3 . 25914 2 523 . 2 2 52 52 PRO HG2 H 1 2.089 0.016 . 2 . . . B 53 PRO HG2 . 25914 2 524 . 2 2 52 52 PRO HD2 H 1 3.891 0.008 . 2 . . . B 53 PRO HD2 . 25914 2 525 . 2 2 52 52 PRO HD3 H 1 3.738 0.006 . 2 . . . B 53 PRO HD3 . 25914 2 526 . 2 2 52 52 PRO C C 13 178.720 0.000 . 1 . . . B 53 PRO C . 25914 2 527 . 2 2 52 52 PRO CA C 13 62.738 0.070 . 1 . . . B 53 PRO CA . 25914 2 528 . 2 2 52 52 PRO CB C 13 32.688 0.041 . 1 . . . B 53 PRO CB . 25914 2 529 . 2 2 52 52 PRO CG C 13 27.620 0.024 . 1 . . . B 53 PRO CG . 25914 2 530 . 2 2 52 52 PRO CD C 13 51.281 0.058 . 1 . . . B 53 PRO CD . 25914 2 531 . 2 2 53 53 SER H H 1 9.235 0.005 . 1 . . . B 54 SER H . 25914 2 532 . 2 2 53 53 SER HA H 1 3.954 0.004 . 1 . . . B 54 SER HA . 25914 2 533 . 2 2 53 53 SER HB2 H 1 3.894 0.082 . 2 . . . B 54 SER HB2 . 25914 2 534 . 2 2 53 53 SER HB3 H 1 3.699 0.004 . 2 . . . B 54 SER HB3 . 25914 2 535 . 2 2 53 53 SER C C 13 176.885 0.000 . 1 . . . B 54 SER C . 25914 2 536 . 2 2 53 53 SER CA C 13 62.210 0.000 . 1 . . . B 54 SER CA . 25914 2 537 . 2 2 53 53 SER CB C 13 61.769 0.046 . 1 . . . B 54 SER CB . 25914 2 538 . 2 2 53 53 SER N N 15 120.433 0.093 . 1 . . . B 54 SER N . 25914 2 539 . 2 2 54 54 GLU H H 1 9.459 0.007 . 1 . . . B 55 GLU H . 25914 2 540 . 2 2 54 54 GLU HA H 1 4.341 0.006 . 1 . . . B 55 GLU HA . 25914 2 541 . 2 2 54 54 GLU HB2 H 1 2.181 0.007 . 2 . . . B 55 GLU HB2 . 25914 2 542 . 2 2 54 54 GLU HG2 H 1 2.460 0.004 . 2 . . . B 55 GLU HG2 . 25914 2 543 . 2 2 54 54 GLU HG3 H 1 2.317 0.003 . 2 . . . B 55 GLU HG3 . 25914 2 544 . 2 2 54 54 GLU C C 13 176.708 0.000 . 1 . . . B 55 GLU C . 25914 2 545 . 2 2 54 54 GLU CA C 13 58.843 0.003 . 1 . . . B 55 GLU CA . 25914 2 546 . 2 2 54 54 GLU CB C 13 28.420 0.051 . 1 . . . B 55 GLU CB . 25914 2 547 . 2 2 54 54 GLU CG C 13 35.948 0.058 . 1 . . . B 55 GLU CG . 25914 2 548 . 2 2 54 54 GLU N N 15 120.030 0.078 . 1 . . . B 55 GLU N . 25914 2 549 . 2 2 55 55 LYS H H 1 8.038 0.004 . 1 . . . B 56 LYS H . 25914 2 550 . 2 2 55 55 LYS HA H 1 4.556 0.006 . 1 . . . B 56 LYS HA . 25914 2 551 . 2 2 55 55 LYS HB2 H 1 2.191 0.015 . 2 . . . B 56 LYS HB2 . 25914 2 552 . 2 2 55 55 LYS HB3 H 1 1.766 0.007 . 2 . . . B 56 LYS HB3 . 25914 2 553 . 2 2 55 55 LYS HG2 H 1 1.564 0.008 . 2 . . . B 56 LYS HG2 . 25914 2 554 . 2 2 55 55 LYS HD2 H 1 1.797 0.001 . 2 . . . B 56 LYS HD2 . 25914 2 555 . 2 2 55 55 LYS HE2 H 1 3.137 0.007 . 2 . . . B 56 LYS HE2 . 25914 2 556 . 2 2 55 55 LYS C C 13 175.670 0.000 . 1 . . . B 56 LYS C . 25914 2 557 . 2 2 55 55 LYS CA C 13 55.352 0.000 . 1 . . . B 56 LYS CA . 25914 2 558 . 2 2 55 55 LYS CB C 13 33.522 0.006 . 1 . . . B 56 LYS CB . 25914 2 559 . 2 2 55 55 LYS CD C 13 28.593 0.000 . 1 . . . B 56 LYS CD . 25914 2 560 . 2 2 55 55 LYS CE C 13 41.959 0.000 . 1 . . . B 56 LYS CE . 25914 2 561 . 2 2 55 55 LYS N N 15 118.892 0.077 . 1 . . . B 56 LYS N . 25914 2 562 . 2 2 56 56 GLN H H 1 7.043 0.004 . 1 . . . B 57 GLN H . 25914 2 563 . 2 2 56 56 GLN HA H 1 3.843 0.015 . 1 . . . B 57 GLN HA . 25914 2 564 . 2 2 56 56 GLN HB2 H 1 2.004 0.007 . 2 . . . B 57 GLN HB2 . 25914 2 565 . 2 2 56 56 GLN HB3 H 1 1.844 0.022 . 2 . . . B 57 GLN HB3 . 25914 2 566 . 2 2 56 56 GLN HG2 H 1 1.526 0.009 . 2 . . . B 57 GLN HG2 . 25914 2 567 . 2 2 56 56 GLN HE21 H 1 6.811 0.006 . 1 . . . B 57 GLN HE21 . 25914 2 568 . 2 2 56 56 GLN HE22 H 1 6.198 0.009 . 1 . . . B 57 GLN HE22 . 25914 2 569 . 2 2 56 56 GLN C C 13 176.187 0.000 . 1 . . . B 57 GLN C . 25914 2 570 . 2 2 56 56 GLN CA C 13 57.584 0.047 . 1 . . . B 57 GLN CA . 25914 2 571 . 2 2 56 56 GLN CB C 13 30.744 0.003 . 1 . . . B 57 GLN CB . 25914 2 572 . 2 2 56 56 GLN N N 15 118.128 0.081 . 1 . . . B 57 GLN N . 25914 2 573 . 2 2 56 56 GLN NE2 N 15 102.878 0.039 . 1 . . . B 57 GLN NE2 . 25914 2 574 . 2 2 57 57 ARG H H 1 8.429 0.009 . 1 . . . B 58 ARG H . 25914 2 575 . 2 2 57 57 ARG C C 13 173.735 0.000 . 1 . . . B 58 ARG C . 25914 2 576 . 2 2 57 57 ARG N N 15 124.692 0.081 . 1 . . . B 58 ARG N . 25914 2 577 . 2 2 58 58 LEU H H 1 8.479 0.008 . 1 . . . B 59 LEU H . 25914 2 578 . 2 2 58 58 LEU HA H 1 5.284 0.009 . 1 . . . B 59 LEU HA . 25914 2 579 . 2 2 58 58 LEU HB2 H 1 1.799 0.014 . 2 . . . B 59 LEU HB2 . 25914 2 580 . 2 2 58 58 LEU HB3 H 1 1.354 0.007 . 2 . . . B 59 LEU HB3 . 25914 2 581 . 2 2 58 58 LEU HG H 1 1.777 0.008 . 1 . . . B 59 LEU HG . 25914 2 582 . 2 2 58 58 LEU HD11 H 1 1.157 0.013 . 2 . . . B 59 LEU HD11 . 25914 2 583 . 2 2 58 58 LEU HD12 H 1 1.157 0.013 . 2 . . . B 59 LEU HD12 . 25914 2 584 . 2 2 58 58 LEU HD13 H 1 1.157 0.013 . 2 . . . B 59 LEU HD13 . 25914 2 585 . 2 2 58 58 LEU HD21 H 1 1.059 0.020 . 2 . . . B 59 LEU HD21 . 25914 2 586 . 2 2 58 58 LEU HD22 H 1 1.059 0.020 . 2 . . . B 59 LEU HD22 . 25914 2 587 . 2 2 58 58 LEU HD23 H 1 1.059 0.020 . 2 . . . B 59 LEU HD23 . 25914 2 588 . 2 2 58 58 LEU C C 13 175.632 0.000 . 1 . . . B 59 LEU C . 25914 2 589 . 2 2 58 58 LEU CA C 13 53.181 0.074 . 1 . . . B 59 LEU CA . 25914 2 590 . 2 2 58 58 LEU CB C 13 44.071 0.024 . 1 . . . B 59 LEU CB . 25914 2 591 . 2 2 58 58 LEU CG C 13 26.833 0.043 . 1 . . . B 59 LEU CG . 25914 2 592 . 2 2 58 58 LEU CD1 C 13 27.800 0.026 . 2 . . . B 59 LEU CD1 . 25914 2 593 . 2 2 58 58 LEU CD2 C 13 23.994 0.064 . 2 . . . B 59 LEU CD2 . 25914 2 594 . 2 2 58 58 LEU N N 15 125.760 0.091 . 1 . . . B 59 LEU N . 25914 2 595 . 2 2 59 59 ILE H H 1 9.601 0.006 . 1 . . . B 60 ILE H . 25914 2 596 . 2 2 59 59 ILE HA H 1 5.153 0.007 . 1 . . . B 60 ILE HA . 25914 2 597 . 2 2 59 59 ILE HB H 1 1.826 0.005 . 1 . . . B 60 ILE HB . 25914 2 598 . 2 2 59 59 ILE HG12 H 1 0.962 0.011 . 2 . . . B 60 ILE HG12 . 25914 2 599 . 2 2 59 59 ILE HG13 H 1 1.730 0.005 . 2 . . . B 60 ILE HG13 . 25914 2 600 . 2 2 59 59 ILE HG21 H 1 1.061 0.011 . 1 . . . B 60 ILE HG21 . 25914 2 601 . 2 2 59 59 ILE HG22 H 1 1.061 0.011 . 1 . . . B 60 ILE HG22 . 25914 2 602 . 2 2 59 59 ILE HG23 H 1 1.061 0.011 . 1 . . . B 60 ILE HG23 . 25914 2 603 . 2 2 59 59 ILE HD11 H 1 0.875 0.008 . 1 . . . B 60 ILE HD11 . 25914 2 604 . 2 2 59 59 ILE HD12 H 1 0.875 0.008 . 1 . . . B 60 ILE HD12 . 25914 2 605 . 2 2 59 59 ILE HD13 H 1 0.875 0.008 . 1 . . . B 60 ILE HD13 . 25914 2 606 . 2 2 59 59 ILE C C 13 175.779 0.000 . 1 . . . B 60 ILE C . 25914 2 607 . 2 2 59 59 ILE CA C 13 60.117 0.031 . 1 . . . B 60 ILE CA . 25914 2 608 . 2 2 59 59 ILE CB C 13 41.965 0.000 . 1 . . . B 60 ILE CB . 25914 2 609 . 2 2 59 59 ILE CG1 C 13 27.483 0.004 . 1 . . . B 60 ILE CG1 . 25914 2 610 . 2 2 59 59 ILE CG2 C 13 18.427 0.089 . 1 . . . B 60 ILE CG2 . 25914 2 611 . 2 2 59 59 ILE CD1 C 13 14.705 0.054 . 1 . . . B 60 ILE CD1 . 25914 2 612 . 2 2 59 59 ILE N N 15 122.437 0.108 . 1 . . . B 60 ILE N . 25914 2 613 . 2 2 60 60 TYR H H 1 9.169 0.006 . 1 . . . B 61 TYR H . 25914 2 614 . 2 2 60 60 TYR HA H 1 5.329 0.011 . 1 . . . B 61 TYR HA . 25914 2 615 . 2 2 60 60 TYR HB2 H 1 3.014 0.017 . 2 . . . B 61 TYR HB2 . 25914 2 616 . 2 2 60 60 TYR HB3 H 1 2.773 0.007 . 2 . . . B 61 TYR HB3 . 25914 2 617 . 2 2 60 60 TYR HD1 H 1 7.378 0.011 . 3 . . . B 61 TYR HD1 . 25914 2 618 . 2 2 60 60 TYR HD2 H 1 7.378 0.011 . 3 . . . B 61 TYR HD2 . 25914 2 619 . 2 2 60 60 TYR HE1 H 1 7.038 0.017 . 3 . . . B 61 TYR HE1 . 25914 2 620 . 2 2 60 60 TYR HE2 H 1 7.038 0.017 . 3 . . . B 61 TYR HE2 . 25914 2 621 . 2 2 60 60 TYR C C 13 174.995 0.000 . 1 . . . B 61 TYR C . 25914 2 622 . 2 2 60 60 TYR CA C 13 57.382 0.071 . 1 . . . B 61 TYR CA . 25914 2 623 . 2 2 60 60 TYR CB C 13 42.442 0.092 . 1 . . . B 61 TYR CB . 25914 2 624 . 2 2 60 60 TYR CD1 C 13 133.209 0.077 . 3 . . . B 61 TYR CD1 . 25914 2 625 . 2 2 60 60 TYR CD2 C 13 133.209 0.077 . 3 . . . B 61 TYR CD2 . 25914 2 626 . 2 2 60 60 TYR CE1 C 13 118.771 0.090 . 3 . . . B 61 TYR CE1 . 25914 2 627 . 2 2 60 60 TYR CE2 C 13 118.771 0.090 . 3 . . . B 61 TYR CE2 . 25914 2 628 . 2 2 60 60 TYR N N 15 126.843 0.107 . 1 . . . B 61 TYR N . 25914 2 629 . 2 2 61 61 GLN H H 1 9.341 0.010 . 1 . . . B 62 GLN H . 25914 2 630 . 2 2 61 61 GLN HA H 1 2.806 0.012 . 1 . . . B 62 GLN HA . 25914 2 631 . 2 2 61 61 GLN HB2 H 1 1.653 0.007 . 2 . . . B 62 GLN HB2 . 25914 2 632 . 2 2 61 61 GLN HB3 H 1 1.321 0.005 . 2 . . . B 62 GLN HB3 . 25914 2 633 . 2 2 61 61 GLN HG2 H 1 1.489 0.007 . 2 . . . B 62 GLN HG2 . 25914 2 634 . 2 2 61 61 GLN HG3 H 1 1.014 0.005 . 2 . . . B 62 GLN HG3 . 25914 2 635 . 2 2 61 61 GLN HE21 H 1 7.441 0.002 . 1 . . . B 62 GLN HE21 . 25914 2 636 . 2 2 61 61 GLN HE22 H 1 6.973 0.003 . 1 . . . B 62 GLN HE22 . 25914 2 637 . 2 2 61 61 GLN C C 13 174.939 0.000 . 1 . . . B 62 GLN C . 25914 2 638 . 2 2 61 61 GLN CA C 13 56.384 0.024 . 1 . . . B 62 GLN CA . 25914 2 639 . 2 2 61 61 GLN CB C 13 25.630 0.032 . 1 . . . B 62 GLN CB . 25914 2 640 . 2 2 61 61 GLN CG C 13 33.438 0.029 . 1 . . . B 62 GLN CG . 25914 2 641 . 2 2 61 61 GLN N N 15 128.563 0.087 . 1 . . . B 62 GLN N . 25914 2 642 . 2 2 61 61 GLN NE2 N 15 112.039 0.030 . 1 . . . B 62 GLN NE2 . 25914 2 643 . 2 2 62 62 GLY H H 1 8.995 0.005 . 1 . . . B 63 GLY H . 25914 2 644 . 2 2 62 62 GLY HA2 H 1 4.153 0.017 . 2 . . . B 63 GLY HA2 . 25914 2 645 . 2 2 62 62 GLY HA3 H 1 4.217 0.011 . 2 . . . B 63 GLY HA3 . 25914 2 646 . 2 2 62 62 GLY C C 13 172.418 0.000 . 1 . . . B 63 GLY C . 25914 2 647 . 2 2 62 62 GLY CA C 13 45.323 0.040 . 1 . . . B 63 GLY CA . 25914 2 648 . 2 2 62 62 GLY N N 15 103.566 0.099 . 1 . . . B 63 GLY N . 25914 2 649 . 2 2 63 63 ARG H H 1 7.847 0.008 . 1 . . . B 64 ARG H . 25914 2 650 . 2 2 63 63 ARG HA H 1 4.922 0.005 . 1 . . . B 64 ARG HA . 25914 2 651 . 2 2 63 63 ARG HB2 H 1 2.048 0.008 . 2 . . . B 64 ARG HB2 . 25914 2 652 . 2 2 63 63 ARG HG2 H 1 1.849 0.018 . 2 . . . B 64 ARG HG2 . 25914 2 653 . 2 2 63 63 ARG HD2 H 1 3.467 0.003 . 2 . . . B 64 ARG HD2 . 25914 2 654 . 2 2 63 63 ARG HE H 1 7.546 0.001 . 1 . . . B 64 ARG HE . 25914 2 655 . 2 2 63 63 ARG C C 13 174.746 0.000 . 1 . . . B 64 ARG C . 25914 2 656 . 2 2 63 63 ARG CA C 13 54.491 0.054 . 1 . . . B 64 ARG CA . 25914 2 657 . 2 2 63 63 ARG CB C 13 32.427 0.019 . 1 . . . B 64 ARG CB . 25914 2 658 . 2 2 63 63 ARG CG C 13 26.985 0.044 . 1 . . . B 64 ARG CG . 25914 2 659 . 2 2 63 63 ARG CD C 13 43.675 0.028 . 1 . . . B 64 ARG CD . 25914 2 660 . 2 2 63 63 ARG N N 15 120.572 0.086 . 1 . . . B 64 ARG N . 25914 2 661 . 2 2 63 63 ARG NE N 15 86.272 0.035 . 1 . . . B 64 ARG NE . 25914 2 662 . 2 2 64 64 VAL H H 1 8.702 0.005 . 1 . . . B 65 VAL H . 25914 2 663 . 2 2 64 64 VAL HA H 1 4.679 0.018 . 1 . . . B 65 VAL HA . 25914 2 664 . 2 2 64 64 VAL HB H 1 2.025 0.011 . 1 . . . B 65 VAL HB . 25914 2 665 . 2 2 64 64 VAL HG11 H 1 1.040 0.015 . 2 . . . B 65 VAL HG11 . 25914 2 666 . 2 2 64 64 VAL HG12 H 1 1.040 0.015 . 2 . . . B 65 VAL HG12 . 25914 2 667 . 2 2 64 64 VAL HG13 H 1 1.040 0.015 . 2 . . . B 65 VAL HG13 . 25914 2 668 . 2 2 64 64 VAL HG21 H 1 1.018 0.004 . 2 . . . B 65 VAL HG21 . 25914 2 669 . 2 2 64 64 VAL HG22 H 1 1.018 0.004 . 2 . . . B 65 VAL HG22 . 25914 2 670 . 2 2 64 64 VAL HG23 H 1 1.018 0.004 . 2 . . . B 65 VAL HG23 . 25914 2 671 . 2 2 64 64 VAL C C 13 177.743 0.000 . 1 . . . B 65 VAL C . 25914 2 672 . 2 2 64 64 VAL CA C 13 61.692 0.005 . 1 . . . B 65 VAL CA . 25914 2 673 . 2 2 64 64 VAL CB C 13 31.949 0.020 . 1 . . . B 65 VAL CB . 25914 2 674 . 2 2 64 64 VAL CG1 C 13 21.283 0.014 . 2 . . . B 65 VAL CG1 . 25914 2 675 . 2 2 64 64 VAL CG2 C 13 21.627 0.029 . 2 . . . B 65 VAL CG2 . 25914 2 676 . 2 2 64 64 VAL N N 15 123.867 0.222 . 1 . . . B 65 VAL N . 25914 2 677 . 2 2 65 65 LEU H H 1 9.028 0.009 . 1 . . . B 66 LEU H . 25914 2 678 . 2 2 65 65 LEU HA H 1 3.968 0.007 . 1 . . . B 66 LEU HA . 25914 2 679 . 2 2 65 65 LEU HB2 H 1 1.519 0.009 . 2 . . . B 66 LEU HB2 . 25914 2 680 . 2 2 65 65 LEU HB3 H 1 1.291 0.006 . 2 . . . B 66 LEU HB3 . 25914 2 681 . 2 2 65 65 LEU HG H 1 0.963 0.008 . 1 . . . B 66 LEU HG . 25914 2 682 . 2 2 65 65 LEU HD11 H 1 0.600 0.009 . 2 . . . B 66 LEU HD11 . 25914 2 683 . 2 2 65 65 LEU HD12 H 1 0.600 0.009 . 2 . . . B 66 LEU HD12 . 25914 2 684 . 2 2 65 65 LEU HD13 H 1 0.600 0.009 . 2 . . . B 66 LEU HD13 . 25914 2 685 . 2 2 65 65 LEU HD21 H 1 0.094 0.010 . 2 . . . B 66 LEU HD21 . 25914 2 686 . 2 2 65 65 LEU HD22 H 1 0.094 0.010 . 2 . . . B 66 LEU HD22 . 25914 2 687 . 2 2 65 65 LEU HD23 H 1 0.094 0.010 . 2 . . . B 66 LEU HD23 . 25914 2 688 . 2 2 65 65 LEU C C 13 176.617 0.000 . 1 . . . B 66 LEU C . 25914 2 689 . 2 2 65 65 LEU CA C 13 55.992 0.015 . 1 . . . B 66 LEU CA . 25914 2 690 . 2 2 65 65 LEU CB C 13 41.152 0.077 . 1 . . . B 66 LEU CB . 25914 2 691 . 2 2 65 65 LEU CG C 13 27.100 0.106 . 1 . . . B 66 LEU CG . 25914 2 692 . 2 2 65 65 LEU CD1 C 13 24.981 0.012 . 2 . . . B 66 LEU CD1 . 25914 2 693 . 2 2 65 65 LEU CD2 C 13 21.832 0.049 . 2 . . . B 66 LEU CD2 . 25914 2 694 . 2 2 65 65 LEU N N 15 130.237 0.089 . 1 . . . B 66 LEU N . 25914 2 695 . 2 2 66 66 GLN H H 1 8.345 0.006 . 1 . . . B 67 GLN H . 25914 2 696 . 2 2 66 66 GLN HA H 1 4.527 0.023 . 1 . . . B 67 GLN HA . 25914 2 697 . 2 2 66 66 GLN HB2 H 1 2.113 0.052 . 2 . . . B 67 GLN HB2 . 25914 2 698 . 2 2 66 66 GLN HG2 H 1 2.666 0.006 . 2 . . . B 67 GLN HG2 . 25914 2 699 . 2 2 66 66 GLN HG3 H 1 2.438 0.014 . 2 . . . B 67 GLN HG3 . 25914 2 700 . 2 2 66 66 GLN HE21 H 1 7.148 0.003 . 1 . . . B 67 GLN HE21 . 25914 2 701 . 2 2 66 66 GLN HE22 H 1 7.949 0.004 . 1 . . . B 67 GLN HE22 . 25914 2 702 . 2 2 66 66 GLN C C 13 176.502 0.000 . 1 . . . B 67 GLN C . 25914 2 703 . 2 2 66 66 GLN CA C 13 55.478 0.000 . 1 . . . B 67 GLN CA . 25914 2 704 . 2 2 66 66 GLN CB C 13 30.666 0.001 . 1 . . . B 67 GLN CB . 25914 2 705 . 2 2 66 66 GLN CG C 13 36.335 0.040 . 1 . . . B 67 GLN CG . 25914 2 706 . 2 2 66 66 GLN N N 15 122.661 0.070 . 1 . . . B 67 GLN N . 25914 2 707 . 2 2 66 66 GLN NE2 N 15 115.100 0.034 . 1 . . . B 67 GLN NE2 . 25914 2 708 . 2 2 67 67 ASP H H 1 8.343 0.006 . 1 . . . B 68 ASP H . 25914 2 709 . 2 2 67 67 ASP HA H 1 4.502 0.010 . 1 . . . B 68 ASP HA . 25914 2 710 . 2 2 67 67 ASP HB2 H 1 2.786 0.009 . 2 . . . B 68 ASP HB2 . 25914 2 711 . 2 2 67 67 ASP HB3 H 1 2.702 0.008 . 2 . . . B 68 ASP HB3 . 25914 2 712 . 2 2 67 67 ASP CA C 13 57.584 0.105 . 1 . . . B 68 ASP CA . 25914 2 713 . 2 2 67 67 ASP CB C 13 42.307 0.091 . 1 . . . B 68 ASP CB . 25914 2 714 . 2 2 67 67 ASP N N 15 121.950 0.113 . 1 . . . B 68 ASP N . 25914 2 715 . 2 2 68 68 ASP H H 1 8.595 0.006 . 1 . . . B 69 ASP H . 25914 2 716 . 2 2 68 68 ASP HA H 1 4.718 0.004 . 1 . . . B 69 ASP HA . 25914 2 717 . 2 2 68 68 ASP HB2 H 1 2.958 0.006 . 2 . . . B 69 ASP HB2 . 25914 2 718 . 2 2 68 68 ASP HB3 H 1 2.789 0.008 . 2 . . . B 69 ASP HB3 . 25914 2 719 . 2 2 68 68 ASP C C 13 176.490 0.065 . 1 . . . B 69 ASP C . 25914 2 720 . 2 2 68 68 ASP CA C 13 53.595 0.002 . 1 . . . B 69 ASP CA . 25914 2 721 . 2 2 68 68 ASP CB C 13 40.162 0.015 . 1 . . . B 69 ASP CB . 25914 2 722 . 2 2 68 68 ASP N N 15 113.735 0.159 . 1 . . . B 69 ASP N . 25914 2 723 . 2 2 69 69 LYS H H 1 7.844 0.008 . 1 . . . B 70 LYS H . 25914 2 724 . 2 2 69 69 LYS HA H 1 4.584 0.026 . 1 . . . B 70 LYS HA . 25914 2 725 . 2 2 69 69 LYS HB2 H 1 2.718 0.000 . 2 . . . B 70 LYS HB2 . 25914 2 726 . 2 2 69 69 LYS HG2 H 1 2.430 0.006 . 2 . . . B 70 LYS HG2 . 25914 2 727 . 2 2 69 69 LYS HG3 H 1 2.177 0.004 . 2 . . . B 70 LYS HG3 . 25914 2 728 . 2 2 69 69 LYS C C 13 176.221 0.000 . 1 . . . B 70 LYS C . 25914 2 729 . 2 2 69 69 LYS CA C 13 55.151 0.000 . 1 . . . B 70 LYS CA . 25914 2 730 . 2 2 69 69 LYS N N 15 121.271 0.087 . 1 . . . B 70 LYS N . 25914 2 731 . 2 2 70 70 LYS H H 1 9.090 0.007 . 1 . . . B 71 LYS H . 25914 2 732 . 2 2 70 70 LYS HA H 1 4.539 0.001 . 1 . . . B 71 LYS HA . 25914 2 733 . 2 2 70 70 LYS CA C 13 55.663 0.000 . 1 . . . B 71 LYS CA . 25914 2 734 . 2 2 70 70 LYS N N 15 120.185 0.224 . 1 . . . B 71 LYS N . 25914 2 735 . 2 2 71 71 LEU H H 1 8.451 0.004 . 1 . . . B 72 LEU H . 25914 2 736 . 2 2 71 71 LEU HA H 1 3.947 0.010 . 1 . . . B 72 LEU HA . 25914 2 737 . 2 2 71 71 LEU HB2 H 1 1.742 0.011 . 2 . . . B 72 LEU HB2 . 25914 2 738 . 2 2 71 71 LEU HB3 H 1 1.071 0.012 . 2 . . . B 72 LEU HB3 . 25914 2 739 . 2 2 71 71 LEU HG H 1 1.426 0.009 . 1 . . . B 72 LEU HG . 25914 2 740 . 2 2 71 71 LEU HD11 H 1 0.450 0.017 . 2 . . . B 72 LEU HD11 . 25914 2 741 . 2 2 71 71 LEU HD12 H 1 0.450 0.017 . 2 . . . B 72 LEU HD12 . 25914 2 742 . 2 2 71 71 LEU HD13 H 1 0.450 0.017 . 2 . . . B 72 LEU HD13 . 25914 2 743 . 2 2 71 71 LEU HD21 H 1 0.284 0.006 . 2 . . . B 72 LEU HD21 . 25914 2 744 . 2 2 71 71 LEU HD22 H 1 0.284 0.006 . 2 . . . B 72 LEU HD22 . 25914 2 745 . 2 2 71 71 LEU HD23 H 1 0.284 0.006 . 2 . . . B 72 LEU HD23 . 25914 2 746 . 2 2 71 71 LEU C C 13 180.350 0.067 . 1 . . . B 72 LEU C . 25914 2 747 . 2 2 71 71 LEU CA C 13 58.722 0.025 . 1 . . . B 72 LEU CA . 25914 2 748 . 2 2 71 71 LEU CB C 13 41.673 0.044 . 1 . . . B 72 LEU CB . 25914 2 749 . 2 2 71 71 LEU CG C 13 26.815 0.030 . 1 . . . B 72 LEU CG . 25914 2 750 . 2 2 71 71 LEU CD1 C 13 25.960 0.018 . 2 . . . B 72 LEU CD1 . 25914 2 751 . 2 2 71 71 LEU CD2 C 13 22.336 0.011 . 2 . . . B 72 LEU CD2 . 25914 2 752 . 2 2 71 71 LEU N N 15 123.354 0.037 . 1 . . . B 72 LEU N . 25914 2 753 . 2 2 72 72 GLN H H 1 9.121 0.006 . 1 . . . B 73 GLN H . 25914 2 754 . 2 2 72 72 GLN HA H 1 4.195 0.008 . 1 . . . B 73 GLN HA . 25914 2 755 . 2 2 72 72 GLN HB2 H 1 2.269 0.011 . 2 . . . B 73 GLN HB2 . 25914 2 756 . 2 2 72 72 GLN HB3 H 1 2.081 0.012 . 2 . . . B 73 GLN HB3 . 25914 2 757 . 2 2 72 72 GLN HG2 H 1 2.480 0.017 . 2 . . . B 73 GLN HG2 . 25914 2 758 . 2 2 72 72 GLN HE21 H 1 7.500 0.003 . 1 . . . B 73 GLN HE21 . 25914 2 759 . 2 2 72 72 GLN HE22 H 1 6.944 0.004 . 1 . . . B 73 GLN HE22 . 25914 2 760 . 2 2 72 72 GLN C C 13 178.403 0.000 . 1 . . . B 73 GLN C . 25914 2 761 . 2 2 72 72 GLN CA C 13 58.161 0.039 . 1 . . . B 73 GLN CA . 25914 2 762 . 2 2 72 72 GLN CB C 13 28.758 0.027 . 1 . . . B 73 GLN CB . 25914 2 763 . 2 2 72 72 GLN CG C 13 33.331 0.026 . 1 . . . B 73 GLN CG . 25914 2 764 . 2 2 72 72 GLN N N 15 115.569 0.073 . 1 . . . B 73 GLN N . 25914 2 765 . 2 2 72 72 GLN NE2 N 15 111.573 0.040 . 1 . . . B 73 GLN NE2 . 25914 2 766 . 2 2 73 73 GLU H H 1 7.669 0.007 . 1 . . . B 74 GLU H . 25914 2 767 . 2 2 73 73 GLU HA H 1 4.129 0.012 . 1 . . . B 74 GLU HA . 25914 2 768 . 2 2 73 73 GLU HB2 H 1 2.127 0.007 . 2 . . . B 74 GLU HB2 . 25914 2 769 . 2 2 73 73 GLU HB3 H 1 1.956 0.002 . 2 . . . B 74 GLU HB3 . 25914 2 770 . 2 2 73 73 GLU HG2 H 1 2.279 0.003 . 2 . . . B 74 GLU HG2 . 25914 2 771 . 2 2 73 73 GLU C C 13 177.512 0.000 . 1 . . . B 74 GLU C . 25914 2 772 . 2 2 73 73 GLU CA C 13 58.712 0.009 . 1 . . . B 74 GLU CA . 25914 2 773 . 2 2 73 73 GLU CB C 13 29.256 0.042 . 1 . . . B 74 GLU CB . 25914 2 774 . 2 2 73 73 GLU CG C 13 37.889 0.051 . 1 . . . B 74 GLU CG . 25914 2 775 . 2 2 73 73 GLU N N 15 118.810 0.120 . 1 . . . B 74 GLU N . 25914 2 776 . 2 2 74 74 TYR H H 1 7.613 0.008 . 1 . . . B 75 TYR H . 25914 2 777 . 2 2 74 74 TYR HA H 1 4.616 0.006 . 1 . . . B 75 TYR HA . 25914 2 778 . 2 2 74 74 TYR HB2 H 1 3.267 0.006 . 2 . . . B 75 TYR HB2 . 25914 2 779 . 2 2 74 74 TYR HB3 H 1 2.725 0.012 . 2 . . . B 75 TYR HB3 . 25914 2 780 . 2 2 74 74 TYR HD1 H 1 7.275 0.010 . 3 . . . B 75 TYR HD1 . 25914 2 781 . 2 2 74 74 TYR HD2 H 1 7.275 0.010 . 3 . . . B 75 TYR HD2 . 25914 2 782 . 2 2 74 74 TYR HE1 H 1 6.956 0.007 . 3 . . . B 75 TYR HE1 . 25914 2 783 . 2 2 74 74 TYR HE2 H 1 6.956 0.007 . 3 . . . B 75 TYR HE2 . 25914 2 784 . 2 2 74 74 TYR C C 13 175.332 0.018 . 1 . . . B 75 TYR C . 25914 2 785 . 2 2 74 74 TYR CA C 13 58.846 0.059 . 1 . . . B 75 TYR CA . 25914 2 786 . 2 2 74 74 TYR CB C 13 40.045 0.123 . 1 . . . B 75 TYR CB . 25914 2 787 . 2 2 74 74 TYR CD1 C 13 133.038 0.094 . 3 . . . B 75 TYR CD1 . 25914 2 788 . 2 2 74 74 TYR CD2 C 13 133.038 0.094 . 3 . . . B 75 TYR CD2 . 25914 2 789 . 2 2 74 74 TYR CE1 C 13 118.642 0.048 . 3 . . . B 75 TYR CE1 . 25914 2 790 . 2 2 74 74 TYR CE2 C 13 118.642 0.048 . 3 . . . B 75 TYR CE2 . 25914 2 791 . 2 2 74 74 TYR N N 15 115.648 0.074 . 1 . . . B 75 TYR N . 25914 2 792 . 2 2 75 75 ASN H H 1 7.978 0.005 . 1 . . . B 76 ASN H . 25914 2 793 . 2 2 75 75 ASN HA H 1 4.643 0.003 . 1 . . . B 76 ASN HA . 25914 2 794 . 2 2 75 75 ASN HB2 H 1 3.364 0.014 . 2 . . . B 76 ASN HB2 . 25914 2 795 . 2 2 75 75 ASN HB3 H 1 2.877 0.010 . 2 . . . B 76 ASN HB3 . 25914 2 796 . 2 2 75 75 ASN HD21 H 1 7.001 0.003 . 1 . . . B 76 ASN HD21 . 25914 2 797 . 2 2 75 75 ASN HD22 H 1 7.730 0.002 . 1 . . . B 76 ASN HD22 . 25914 2 798 . 2 2 75 75 ASN C C 13 175.681 0.000 . 1 . . . B 76 ASN C . 25914 2 799 . 2 2 75 75 ASN CA C 13 53.945 0.008 . 1 . . . B 76 ASN CA . 25914 2 800 . 2 2 75 75 ASN CB C 13 36.780 0.018 . 1 . . . B 76 ASN CB . 25914 2 801 . 2 2 75 75 ASN N N 15 116.221 0.109 . 1 . . . B 76 ASN N . 25914 2 802 . 2 2 75 75 ASN ND2 N 15 112.738 0.041 . 1 . . . B 76 ASN ND2 . 25914 2 803 . 2 2 76 76 VAL H H 1 6.936 0.004 . 1 . . . B 77 VAL H . 25914 2 804 . 2 2 76 76 VAL HA H 1 3.813 0.015 . 1 . . . B 77 VAL HA . 25914 2 805 . 2 2 76 76 VAL HB H 1 2.196 0.009 . 1 . . . B 77 VAL HB . 25914 2 806 . 2 2 76 76 VAL HG11 H 1 0.526 0.008 . 2 . . . B 77 VAL HG11 . 25914 2 807 . 2 2 76 76 VAL HG12 H 1 0.526 0.008 . 2 . . . B 77 VAL HG12 . 25914 2 808 . 2 2 76 76 VAL HG13 H 1 0.526 0.008 . 2 . . . B 77 VAL HG13 . 25914 2 809 . 2 2 76 76 VAL HG21 H 1 0.129 0.013 . 2 . . . B 77 VAL HG21 . 25914 2 810 . 2 2 76 76 VAL HG22 H 1 0.129 0.013 . 2 . . . B 77 VAL HG22 . 25914 2 811 . 2 2 76 76 VAL HG23 H 1 0.129 0.013 . 2 . . . B 77 VAL HG23 . 25914 2 812 . 2 2 76 76 VAL CA C 13 61.227 0.054 . 1 . . . B 77 VAL CA . 25914 2 813 . 2 2 76 76 VAL CB C 13 31.254 0.109 . 1 . . . B 77 VAL CB . 25914 2 814 . 2 2 76 76 VAL CG1 C 13 18.905 0.030 . 2 . . . B 77 VAL CG1 . 25914 2 815 . 2 2 76 76 VAL CG2 C 13 21.098 0.035 . 2 . . . B 77 VAL CG2 . 25914 2 816 . 2 2 76 76 VAL N N 15 107.265 0.075 . 1 . . . B 77 VAL N . 25914 2 817 . 2 2 77 77 GLY H H 1 8.622 0.003 . 1 . . . B 78 GLY H . 25914 2 818 . 2 2 77 77 GLY HA2 H 1 3.946 0.005 . 2 . . . B 78 GLY HA2 . 25914 2 819 . 2 2 77 77 GLY HA3 H 1 3.782 0.004 . 2 . . . B 78 GLY HA3 . 25914 2 820 . 2 2 77 77 GLY C C 13 176.218 0.000 . 1 . . . B 78 GLY C . 25914 2 821 . 2 2 77 77 GLY CA C 13 47.594 0.023 . 1 . . . B 78 GLY CA . 25914 2 822 . 2 2 77 77 GLY N N 15 109.894 0.050 . 1 . . . B 78 GLY N . 25914 2 823 . 2 2 78 78 GLY H H 1 10.087 0.004 . 1 . . . B 79 GLY H . 25914 2 824 . 2 2 78 78 GLY HA2 H 1 4.225 0.007 . 2 . . . B 79 GLY HA2 . 25914 2 825 . 2 2 78 78 GLY HA3 H 1 3.847 0.011 . 2 . . . B 79 GLY HA3 . 25914 2 826 . 2 2 78 78 GLY C C 13 174.057 0.000 . 1 . . . B 79 GLY C . 25914 2 827 . 2 2 78 78 GLY CA C 13 45.779 0.074 . 1 . . . B 79 GLY CA . 25914 2 828 . 2 2 78 78 GLY N N 15 117.012 0.088 . 1 . . . B 79 GLY N . 25914 2 829 . 2 2 79 79 LYS H H 1 8.408 0.005 . 1 . . . B 80 LYS H . 25914 2 830 . 2 2 79 79 LYS C C 13 173.677 0.000 . 1 . . . B 80 LYS C . 25914 2 831 . 2 2 79 79 LYS N N 15 120.701 0.100 . 1 . . . B 80 LYS N . 25914 2 832 . 2 2 80 80 VAL H H 1 7.944 0.006 . 1 . . . B 81 VAL H . 25914 2 833 . 2 2 80 80 VAL HA H 1 4.584 0.012 . 1 . . . B 81 VAL HA . 25914 2 834 . 2 2 80 80 VAL HB H 1 2.073 0.018 . 1 . . . B 81 VAL HB . 25914 2 835 . 2 2 80 80 VAL HG11 H 1 1.065 0.006 . 2 . . . B 81 VAL HG11 . 25914 2 836 . 2 2 80 80 VAL HG12 H 1 1.065 0.006 . 2 . . . B 81 VAL HG12 . 25914 2 837 . 2 2 80 80 VAL HG13 H 1 1.065 0.006 . 2 . . . B 81 VAL HG13 . 25914 2 838 . 2 2 80 80 VAL HG21 H 1 0.509 0.007 . 2 . . . B 81 VAL HG21 . 25914 2 839 . 2 2 80 80 VAL HG22 H 1 0.509 0.007 . 2 . . . B 81 VAL HG22 . 25914 2 840 . 2 2 80 80 VAL HG23 H 1 0.509 0.007 . 2 . . . B 81 VAL HG23 . 25914 2 841 . 2 2 80 80 VAL C C 13 176.251 0.000 . 1 . . . B 81 VAL C . 25914 2 842 . 2 2 80 80 VAL CA C 13 61.578 0.078 . 1 . . . B 81 VAL CA . 25914 2 843 . 2 2 80 80 VAL CB C 13 32.919 0.083 . 1 . . . B 81 VAL CB . 25914 2 844 . 2 2 80 80 VAL CG1 C 13 22.024 0.091 . 2 . . . B 81 VAL CG1 . 25914 2 845 . 2 2 80 80 VAL CG2 C 13 22.223 0.038 . 2 . . . B 81 VAL CG2 . 25914 2 846 . 2 2 80 80 VAL N N 15 117.509 0.096 . 1 . . . B 81 VAL N . 25914 2 847 . 2 2 81 81 ILE H H 1 9.435 0.004 . 1 . . . B 82 ILE H . 25914 2 848 . 2 2 81 81 ILE HA H 1 4.701 0.011 . 1 . . . B 82 ILE HA . 25914 2 849 . 2 2 81 81 ILE HB H 1 1.996 0.013 . 1 . . . B 82 ILE HB . 25914 2 850 . 2 2 81 81 ILE HG12 H 1 1.644 0.016 . 2 . . . B 82 ILE HG12 . 25914 2 851 . 2 2 81 81 ILE HG13 H 1 1.032 0.019 . 2 . . . B 82 ILE HG13 . 25914 2 852 . 2 2 81 81 ILE HG21 H 1 1.003 0.013 . 1 . . . B 82 ILE HG21 . 25914 2 853 . 2 2 81 81 ILE HG22 H 1 1.003 0.013 . 1 . . . B 82 ILE HG22 . 25914 2 854 . 2 2 81 81 ILE HG23 H 1 1.003 0.013 . 1 . . . B 82 ILE HG23 . 25914 2 855 . 2 2 81 81 ILE HD11 H 1 0.661 0.009 . 1 . . . B 82 ILE HD11 . 25914 2 856 . 2 2 81 81 ILE HD12 H 1 0.661 0.009 . 1 . . . B 82 ILE HD12 . 25914 2 857 . 2 2 81 81 ILE HD13 H 1 0.661 0.009 . 1 . . . B 82 ILE HD13 . 25914 2 858 . 2 2 81 81 ILE C C 13 174.844 0.000 . 1 . . . B 82 ILE C . 25914 2 859 . 2 2 81 81 ILE CA C 13 60.457 0.124 . 1 . . . B 82 ILE CA . 25914 2 860 . 2 2 81 81 ILE CB C 13 39.950 0.024 . 1 . . . B 82 ILE CB . 25914 2 861 . 2 2 81 81 ILE CG1 C 13 27.050 0.116 . 1 . . . B 82 ILE CG1 . 25914 2 862 . 2 2 81 81 ILE CG2 C 13 19.160 0.061 . 1 . . . B 82 ILE CG2 . 25914 2 863 . 2 2 81 81 ILE CD1 C 13 14.200 0.056 . 1 . . . B 82 ILE CD1 . 25914 2 864 . 2 2 81 81 ILE N N 15 127.460 0.081 . 1 . . . B 82 ILE N . 25914 2 865 . 2 2 82 82 HIS H H 1 9.155 0.007 . 1 . . . B 83 HIS H . 25914 2 866 . 2 2 82 82 HIS HA H 1 4.937 0.014 . 1 . . . B 83 HIS HA . 25914 2 867 . 2 2 82 82 HIS HB2 H 1 2.950 0.006 . 2 . . . B 83 HIS HB2 . 25914 2 868 . 2 2 82 82 HIS HB3 H 1 2.950 0.010 . 2 . . . B 83 HIS HB3 . 25914 2 869 . 2 2 82 82 HIS CA C 13 57.613 0.000 . 1 . . . B 83 HIS CA . 25914 2 870 . 2 2 82 82 HIS CB C 13 30.122 0.000 . 1 . . . B 83 HIS CB . 25914 2 871 . 2 2 82 82 HIS N N 15 125.124 0.105 . 1 . . . B 83 HIS N . 25914 2 872 . 2 2 83 83 LEU H H 1 9.005 0.001 . 1 . . . B 84 LEU H . 25914 2 873 . 2 2 83 83 LEU HA H 1 5.550 0.014 . 1 . . . B 84 LEU HA . 25914 2 874 . 2 2 83 83 LEU HB2 H 1 1.905 0.017 . 2 . . . B 84 LEU HB2 . 25914 2 875 . 2 2 83 83 LEU HB3 H 1 1.280 0.006 . 2 . . . B 84 LEU HB3 . 25914 2 876 . 2 2 83 83 LEU HG H 1 1.464 0.010 . 1 . . . B 84 LEU HG . 25914 2 877 . 2 2 83 83 LEU HD11 H 1 0.965 0.005 . 2 . . . B 84 LEU HD11 . 25914 2 878 . 2 2 83 83 LEU HD12 H 1 0.965 0.005 . 2 . . . B 84 LEU HD12 . 25914 2 879 . 2 2 83 83 LEU HD13 H 1 0.965 0.005 . 2 . . . B 84 LEU HD13 . 25914 2 880 . 2 2 83 83 LEU HD21 H 1 0.827 0.010 . 2 . . . B 84 LEU HD21 . 25914 2 881 . 2 2 83 83 LEU HD22 H 1 0.827 0.010 . 2 . . . B 84 LEU HD22 . 25914 2 882 . 2 2 83 83 LEU HD23 H 1 0.827 0.010 . 2 . . . B 84 LEU HD23 . 25914 2 883 . 2 2 83 83 LEU C C 13 175.125 0.000 . 1 . . . B 84 LEU C . 25914 2 884 . 2 2 83 83 LEU CA C 13 54.401 0.019 . 1 . . . B 84 LEU CA . 25914 2 885 . 2 2 83 83 LEU CB C 13 44.047 0.025 . 1 . . . B 84 LEU CB . 25914 2 886 . 2 2 83 83 LEU CG C 13 27.602 0.000 . 1 . . . B 84 LEU CG . 25914 2 887 . 2 2 83 83 LEU CD1 C 13 24.509 0.015 . 2 . . . B 84 LEU CD1 . 25914 2 888 . 2 2 83 83 LEU CD2 C 13 26.744 0.000 . 2 . . . B 84 LEU CD2 . 25914 2 889 . 2 2 83 83 LEU N N 15 126.745 0.036 . 1 . . . B 84 LEU N . 25914 2 890 . 2 2 84 84 VAL H H 1 9.049 0.006 . 1 . . . B 85 VAL H . 25914 2 891 . 2 2 84 84 VAL HA H 1 4.844 0.008 . 1 . . . B 85 VAL HA . 25914 2 892 . 2 2 84 84 VAL HB H 1 2.422 0.008 . 1 . . . B 85 VAL HB . 25914 2 893 . 2 2 84 84 VAL HG11 H 1 0.932 0.012 . 2 . . . B 85 VAL HG11 . 25914 2 894 . 2 2 84 84 VAL HG12 H 1 0.932 0.012 . 2 . . . B 85 VAL HG12 . 25914 2 895 . 2 2 84 84 VAL HG13 H 1 0.932 0.012 . 2 . . . B 85 VAL HG13 . 25914 2 896 . 2 2 84 84 VAL HG21 H 1 0.573 0.012 . 2 . . . B 85 VAL HG21 . 25914 2 897 . 2 2 84 84 VAL HG22 H 1 0.573 0.012 . 2 . . . B 85 VAL HG22 . 25914 2 898 . 2 2 84 84 VAL HG23 H 1 0.573 0.012 . 2 . . . B 85 VAL HG23 . 25914 2 899 . 2 2 84 84 VAL C C 13 173.753 0.000 . 1 . . . B 85 VAL C . 25914 2 900 . 2 2 84 84 VAL CA C 13 58.989 0.020 . 1 . . . B 85 VAL CA . 25914 2 901 . 2 2 84 84 VAL CB C 13 34.724 0.027 . 1 . . . B 85 VAL CB . 25914 2 902 . 2 2 84 84 VAL CG1 C 13 22.413 0.026 . 2 . . . B 85 VAL CG1 . 25914 2 903 . 2 2 84 84 VAL CG2 C 13 18.998 0.008 . 2 . . . B 85 VAL CG2 . 25914 2 904 . 2 2 84 84 VAL N N 15 119.812 0.088 . 1 . . . B 85 VAL N . 25914 2 905 . 2 2 85 85 GLU H H 1 8.743 0.003 . 1 . . . B 86 GLU H . 25914 2 906 . 2 2 85 85 GLU HA H 1 5.213 0.008 . 1 . . . B 86 GLU HA . 25914 2 907 . 2 2 85 85 GLU HB2 H 1 2.162 0.006 . 2 . . . B 86 GLU HB2 . 25914 2 908 . 2 2 85 85 GLU HB3 H 1 2.073 0.006 . 2 . . . B 86 GLU HB3 . 25914 2 909 . 2 2 85 85 GLU HG2 H 1 2.303 0.005 . 2 . . . B 86 GLU HG2 . 25914 2 910 . 2 2 85 85 GLU HG3 H 1 2.184 0.006 . 2 . . . B 86 GLU HG3 . 25914 2 911 . 2 2 85 85 GLU C C 13 175.647 0.000 . 1 . . . B 86 GLU C . 25914 2 912 . 2 2 85 85 GLU CA C 13 55.423 0.034 . 1 . . . B 86 GLU CA . 25914 2 913 . 2 2 85 85 GLU CB C 13 32.464 0.091 . 1 . . . B 86 GLU CB . 25914 2 914 . 2 2 85 85 GLU CG C 13 37.116 0.072 . 1 . . . B 86 GLU CG . 25914 2 915 . 2 2 85 85 GLU N N 15 116.803 0.085 . 1 . . . B 86 GLU N . 25914 2 916 . 2 2 86 86 ARG H H 1 7.696 0.006 . 1 . . . B 87 ARG H . 25914 2 917 . 2 2 86 86 ARG HA H 1 4.727 0.017 . 1 . . . B 87 ARG HA . 25914 2 918 . 2 2 86 86 ARG HB2 H 1 2.060 0.006 . 2 . . . B 87 ARG HB2 . 25914 2 919 . 2 2 86 86 ARG HB3 H 1 1.965 0.011 . 2 . . . B 87 ARG HB3 . 25914 2 920 . 2 2 86 86 ARG HG2 H 1 1.851 0.004 . 2 . . . B 87 ARG HG2 . 25914 2 921 . 2 2 86 86 ARG HG3 H 1 1.758 0.006 . 2 . . . B 87 ARG HG3 . 25914 2 922 . 2 2 86 86 ARG HD2 H 1 3.366 0.006 . 2 . . . B 87 ARG HD2 . 25914 2 923 . 2 2 86 86 ARG CA C 13 55.231 0.001 . 1 . . . B 87 ARG CA . 25914 2 924 . 2 2 86 86 ARG CB C 13 32.972 0.026 . 1 . . . B 87 ARG CB . 25914 2 925 . 2 2 86 86 ARG CG C 13 26.697 0.037 . 1 . . . B 87 ARG CG . 25914 2 926 . 2 2 86 86 ARG CD C 13 43.646 0.056 . 1 . . . B 87 ARG CD . 25914 2 927 . 2 2 86 86 ARG N N 15 118.904 0.093 . 1 . . . B 87 ARG N . 25914 2 928 . 2 2 87 87 ALA H H 1 8.477 0.002 . 1 . . . B 88 ALA H . 25914 2 929 . 2 2 87 87 ALA HA H 1 4.643 0.007 . 1 . . . B 88 ALA HA . 25914 2 930 . 2 2 87 87 ALA HB1 H 1 1.444 0.005 . 1 . . . B 88 ALA HB1 . 25914 2 931 . 2 2 87 87 ALA HB2 H 1 1.444 0.005 . 1 . . . B 88 ALA HB2 . 25914 2 932 . 2 2 87 87 ALA HB3 H 1 1.444 0.005 . 1 . . . B 88 ALA HB3 . 25914 2 933 . 2 2 87 87 ALA CA C 13 49.964 0.027 . 1 . . . B 88 ALA CA . 25914 2 934 . 2 2 87 87 ALA CB C 13 17.670 0.049 . 1 . . . B 88 ALA CB . 25914 2 935 . 2 2 87 87 ALA N N 15 124.250 0.034 . 1 . . . B 88 ALA N . 25914 2 936 . 2 2 88 88 PRO HA H 1 3.893 0.004 . 1 . . . B 89 PRO HA . 25914 2 937 . 2 2 88 88 PRO HB2 H 1 1.379 0.007 . 2 . . . B 89 PRO HB2 . 25914 2 938 . 2 2 88 88 PRO HB3 H 1 1.157 0.011 . 2 . . . B 89 PRO HB3 . 25914 2 939 . 2 2 88 88 PRO HG2 H 1 1.603 0.022 . 2 . . . B 89 PRO HG2 . 25914 2 940 . 2 2 88 88 PRO HG3 H 1 1.945 0.014 . 2 . . . B 89 PRO HG3 . 25914 2 941 . 2 2 88 88 PRO HD2 H 1 4.107 0.007 . 2 . . . B 89 PRO HD2 . 25914 2 942 . 2 2 88 88 PRO HD3 H 1 3.593 0.009 . 2 . . . B 89 PRO HD3 . 25914 2 943 . 2 2 88 88 PRO CA C 13 61.666 0.007 . 1 . . . B 89 PRO CA . 25914 2 944 . 2 2 88 88 PRO CB C 13 30.021 0.062 . 1 . . . B 89 PRO CB . 25914 2 945 . 2 2 88 88 PRO CG C 13 27.719 0.092 . 1 . . . B 89 PRO CG . 25914 2 946 . 2 2 88 88 PRO CD C 13 50.221 0.042 . 1 . . . B 89 PRO CD . 25914 2 947 . 2 2 89 89 PRO HA H 1 4.377 0.007 . 1 . . . B 90 PRO HA . 25914 2 948 . 2 2 89 89 PRO HB2 H 1 2.274 0.003 . 2 . . . B 90 PRO HB2 . 25914 2 949 . 2 2 89 89 PRO HB3 H 1 1.922 0.019 . 2 . . . B 90 PRO HB3 . 25914 2 950 . 2 2 89 89 PRO HG2 H 1 1.972 0.013 . 2 . . . B 90 PRO HG2 . 25914 2 951 . 2 2 89 89 PRO HD2 H 1 3.264 0.006 . 2 . . . B 90 PRO HD2 . 25914 2 952 . 2 2 89 89 PRO HD3 H 1 2.654 0.006 . 2 . . . B 90 PRO HD3 . 25914 2 953 . 2 2 89 89 PRO C C 13 176.486 0.000 . 1 . . . B 90 PRO C . 25914 2 954 . 2 2 89 89 PRO CA C 13 62.922 0.027 . 1 . . . B 90 PRO CA . 25914 2 955 . 2 2 89 89 PRO CB C 13 31.853 0.058 . 1 . . . B 90 PRO CB . 25914 2 956 . 2 2 89 89 PRO CG C 13 27.076 0.002 . 1 . . . B 90 PRO CG . 25914 2 957 . 2 2 89 89 PRO CD C 13 50.340 0.034 . 1 . . . B 90 PRO CD . 25914 2 958 . 2 2 90 90 GLN H H 1 8.507 0.006 . 1 . . . B 91 GLN H . 25914 2 959 . 2 2 90 90 GLN HA H 1 4.376 0.012 . 1 . . . B 91 GLN HA . 25914 2 960 . 2 2 90 90 GLN HB2 H 1 2.140 0.006 . 2 . . . B 91 GLN HB2 . 25914 2 961 . 2 2 90 90 GLN HB3 H 1 2.025 0.002 . 2 . . . B 91 GLN HB3 . 25914 2 962 . 2 2 90 90 GLN HG2 H 1 2.422 0.002 . 2 . . . B 91 GLN HG2 . 25914 2 963 . 2 2 90 90 GLN HG3 H 1 2.416 0.000 . 2 . . . B 91 GLN HG3 . 25914 2 964 . 2 2 90 90 GLN HE21 H 1 7.704 0.006 . 1 . . . B 91 GLN HE21 . 25914 2 965 . 2 2 90 90 GLN HE22 H 1 6.971 0.003 . 1 . . . B 91 GLN HE22 . 25914 2 966 . 2 2 90 90 GLN C C 13 176.294 0.000 . 1 . . . B 91 GLN C . 25914 2 967 . 2 2 90 90 GLN CA C 13 55.671 0.016 . 1 . . . B 91 GLN CA . 25914 2 968 . 2 2 90 90 GLN CB C 13 29.420 0.022 . 1 . . . B 91 GLN CB . 25914 2 969 . 2 2 90 90 GLN CG C 13 33.807 0.000 . 1 . . . B 91 GLN CG . 25914 2 970 . 2 2 90 90 GLN N N 15 120.569 0.101 . 1 . . . B 91 GLN N . 25914 2 971 . 2 2 90 90 GLN NE2 N 15 113.339 0.024 . 1 . . . B 91 GLN NE2 . 25914 2 972 . 2 2 91 91 THR H H 1 8.152 0.005 . 1 . . . B 92 THR H . 25914 2 973 . 2 2 91 91 THR HA H 1 4.355 0.010 . 1 . . . B 92 THR HA . 25914 2 974 . 2 2 91 91 THR HB H 1 4.236 0.009 . 1 . . . B 92 THR HB . 25914 2 975 . 2 2 91 91 THR HG21 H 1 1.241 0.011 . 1 . . . B 92 THR HG21 . 25914 2 976 . 2 2 91 91 THR HG22 H 1 1.241 0.011 . 1 . . . B 92 THR HG22 . 25914 2 977 . 2 2 91 91 THR HG23 H 1 1.241 0.011 . 1 . . . B 92 THR HG23 . 25914 2 978 . 2 2 91 91 THR C C 13 174.180 0.000 . 1 . . . B 92 THR C . 25914 2 979 . 2 2 91 91 THR CA C 13 61.834 0.036 . 1 . . . B 92 THR CA . 25914 2 980 . 2 2 91 91 THR CB C 13 69.776 0.003 . 1 . . . B 92 THR CB . 25914 2 981 . 2 2 91 91 THR CG2 C 13 21.592 0.003 . 1 . . . B 92 THR CG2 . 25914 2 982 . 2 2 91 91 THR N N 15 115.580 0.087 . 1 . . . B 92 THR N . 25914 2 983 . 2 2 92 92 HIS H H 1 8.585 0.009 . 1 . . . B 93 HIS H . 25914 2 984 . 2 2 92 92 HIS HA H 1 4.833 0.022 . 1 . . . B 93 HIS HA . 25914 2 985 . 2 2 92 92 HIS HB2 H 1 3.337 0.006 . 2 . . . B 93 HIS HB2 . 25914 2 986 . 2 2 92 92 HIS HB3 H 1 3.235 0.005 . 2 . . . B 93 HIS HB3 . 25914 2 987 . 2 2 92 92 HIS C C 13 174.156 0.000 . 1 . . . B 93 HIS C . 25914 2 988 . 2 2 92 92 HIS CA C 13 55.174 0.008 . 1 . . . B 93 HIS CA . 25914 2 989 . 2 2 92 92 HIS CB C 13 29.577 0.048 . 1 . . . B 93 HIS CB . 25914 2 990 . 2 2 92 92 HIS N N 15 121.621 0.105 . 1 . . . B 93 HIS N . 25914 2 991 . 2 2 93 93 LEU H H 1 8.502 0.008 . 1 . . . B 94 LEU H . 25914 2 992 . 2 2 93 93 LEU HA H 1 4.720 0.004 . 1 . . . B 94 LEU HA . 25914 2 993 . 2 2 93 93 LEU HB2 H 1 1.707 0.002 . 2 . . . B 94 LEU HB2 . 25914 2 994 . 2 2 93 93 LEU HB3 H 1 1.667 0.013 . 2 . . . B 94 LEU HB3 . 25914 2 995 . 2 2 93 93 LEU HG H 1 1.638 0.000 . 1 . . . B 94 LEU HG . 25914 2 996 . 2 2 93 93 LEU HD11 H 1 1.024 0.003 . 2 . . . B 94 LEU HD11 . 25914 2 997 . 2 2 93 93 LEU HD12 H 1 1.024 0.003 . 2 . . . B 94 LEU HD12 . 25914 2 998 . 2 2 93 93 LEU HD13 H 1 1.024 0.003 . 2 . . . B 94 LEU HD13 . 25914 2 999 . 2 2 93 93 LEU HD21 H 1 1.003 0.001 . 2 . . . B 94 LEU HD21 . 25914 2 1000 . 2 2 93 93 LEU HD22 H 1 1.003 0.001 . 2 . . . B 94 LEU HD22 . 25914 2 1001 . 2 2 93 93 LEU HD23 H 1 1.003 0.001 . 2 . . . B 94 LEU HD23 . 25914 2 1002 . 2 2 93 93 LEU CA C 13 53.144 0.000 . 1 . . . B 94 LEU CA . 25914 2 1003 . 2 2 93 93 LEU CB C 13 41.651 0.029 . 1 . . . B 94 LEU CB . 25914 2 1004 . 2 2 93 93 LEU CG C 13 27.190 0.000 . 1 . . . B 94 LEU CG . 25914 2 1005 . 2 2 93 93 LEU CD1 C 13 25.270 0.045 . 2 . . . B 94 LEU CD1 . 25914 2 1006 . 2 2 93 93 LEU CD2 C 13 23.260 0.000 . 2 . . . B 94 LEU CD2 . 25914 2 1007 . 2 2 93 93 LEU N N 15 125.808 0.100 . 1 . . . B 94 LEU N . 25914 2 1008 . 2 2 94 94 PRO HA H 1 4.586 0.005 . 1 . . . B 95 PRO HA . 25914 2 1009 . 2 2 94 94 PRO HB2 H 1 2.446 0.010 . 2 . . . B 95 PRO HB2 . 25914 2 1010 . 2 2 94 94 PRO HB3 H 1 2.069 0.012 . 2 . . . B 95 PRO HB3 . 25914 2 1011 . 2 2 94 94 PRO HG2 H 1 2.166 0.003 . 2 . . . B 95 PRO HG2 . 25914 2 1012 . 2 2 94 94 PRO HD2 H 1 3.951 0.007 . 2 . . . B 95 PRO HD2 . 25914 2 1013 . 2 2 94 94 PRO HD3 H 1 3.773 0.008 . 2 . . . B 95 PRO HD3 . 25914 2 1014 . 2 2 94 94 PRO C C 13 177.107 0.000 . 1 . . . B 95 PRO C . 25914 2 1015 . 2 2 94 94 PRO CA C 13 63.318 0.014 . 1 . . . B 95 PRO CA . 25914 2 1016 . 2 2 94 94 PRO CB C 13 32.093 0.024 . 1 . . . B 95 PRO CB . 25914 2 1017 . 2 2 94 94 PRO CG C 13 27.499 0.001 . 1 . . . B 95 PRO CG . 25914 2 1018 . 2 2 94 94 PRO CD C 13 50.630 0.046 . 1 . . . B 95 PRO CD . 25914 2 1019 . 2 2 95 95 SER H H 1 8.558 0.004 . 1 . . . B 96 SER H . 25914 2 1020 . 2 2 95 95 SER HA H 1 4.614 0.016 . 1 . . . B 96 SER HA . 25914 2 1021 . 2 2 95 95 SER HB2 H 1 4.037 0.003 . 2 . . . B 96 SER HB2 . 25914 2 1022 . 2 2 95 95 SER HB3 H 1 3.992 0.002 . 2 . . . B 96 SER HB3 . 25914 2 1023 . 2 2 95 95 SER CA C 13 58.368 0.112 . 1 . . . B 96 SER CA . 25914 2 1024 . 2 2 95 95 SER CB C 13 63.924 0.021 . 1 . . . B 96 SER CB . 25914 2 1025 . 2 2 95 95 SER N N 15 116.686 0.104 . 1 . . . B 96 SER N . 25914 2 1026 . 2 2 96 96 GLY H H 1 8.578 0.007 . 1 . . . B 97 GLY H . 25914 2 1027 . 2 2 96 96 GLY HA2 H 1 4.106 0.001 . 2 . . . B 97 GLY HA2 . 25914 2 1028 . 2 2 96 96 GLY HA3 H 1 4.107 0.000 . 2 . . . B 97 GLY HA3 . 25914 2 1029 . 2 2 96 96 GLY C C 13 173.960 0.006 . 1 . . . B 97 GLY C . 25914 2 1030 . 2 2 96 96 GLY CA C 13 45.223 0.000 . 1 . . . B 97 GLY CA . 25914 2 1031 . 2 2 96 96 GLY N N 15 112.056 0.287 . 1 . . . B 97 GLY N . 25914 2 1032 . 2 2 97 97 ALA H H 1 8.276 0.007 . 1 . . . B 98 ALA H . 25914 2 1033 . 2 2 97 97 ALA HA H 1 4.517 0.007 . 1 . . . B 98 ALA HA . 25914 2 1034 . 2 2 97 97 ALA HB1 H 1 1.533 0.013 . 1 . . . B 98 ALA HB1 . 25914 2 1035 . 2 2 97 97 ALA HB2 H 1 1.533 0.013 . 1 . . . B 98 ALA HB2 . 25914 2 1036 . 2 2 97 97 ALA HB3 H 1 1.533 0.013 . 1 . . . B 98 ALA HB3 . 25914 2 1037 . 2 2 97 97 ALA C C 13 177.977 0.000 . 1 . . . B 98 ALA C . 25914 2 1038 . 2 2 97 97 ALA CA C 13 52.407 0.009 . 1 . . . B 98 ALA CA . 25914 2 1039 . 2 2 97 97 ALA CB C 13 19.443 0.009 . 1 . . . B 98 ALA CB . 25914 2 1040 . 2 2 97 97 ALA N N 15 124.456 0.103 . 1 . . . B 98 ALA N . 25914 2 1041 . 2 2 98 98 SER H H 1 8.513 0.006 . 1 . . . B 99 SER H . 25914 2 1042 . 2 2 98 98 SER HA H 1 4.537 0.004 . 1 . . . B 99 SER HA . 25914 2 1043 . 2 2 98 98 SER HB2 H 1 4.039 0.005 . 2 . . . B 99 SER HB2 . 25914 2 1044 . 2 2 98 98 SER HB3 H 1 3.989 0.000 . 2 . . . B 99 SER HB3 . 25914 2 1045 . 2 2 98 98 SER C C 13 174.668 0.000 . 1 . . . B 99 SER C . 25914 2 1046 . 2 2 98 98 SER CA C 13 58.458 0.016 . 1 . . . B 99 SER CA . 25914 2 1047 . 2 2 98 98 SER CB C 13 63.745 0.017 . 1 . . . B 99 SER CB . 25914 2 1048 . 2 2 98 98 SER N N 15 116.029 0.120 . 1 . . . B 99 SER N . 25914 2 1049 . 2 2 99 99 SER H H 1 8.471 0.008 . 1 . . . B 100 SER H . 25914 2 1050 . 2 2 99 99 SER HA H 1 4.629 0.001 . 1 . . . B 100 SER HA . 25914 2 1051 . 2 2 99 99 SER HB2 H 1 4.039 0.000 . 2 . . . B 100 SER HB2 . 25914 2 1052 . 2 2 99 99 SER HB3 H 1 3.988 0.000 . 2 . . . B 100 SER HB3 . 25914 2 1053 . 2 2 99 99 SER C C 13 173.979 0.000 . 1 . . . B 100 SER C . 25914 2 1054 . 2 2 99 99 SER CA C 13 58.611 0.000 . 1 . . . B 100 SER CA . 25914 2 1055 . 2 2 99 99 SER CB C 13 64.052 0.018 . 1 . . . B 100 SER CB . 25914 2 1056 . 2 2 99 99 SER N N 15 118.633 0.128 . 1 . . . B 100 SER N . 25914 2 1057 . 2 2 100 100 GLY H H 1 8.173 0.005 . 1 . . . B 101 GLY H . 25914 2 1058 . 2 2 100 100 GLY HA2 H 1 3.888 0.017 . 2 . . . B 101 GLY HA2 . 25914 2 1059 . 2 2 100 100 GLY CA C 13 46.137 0.000 . 1 . . . B 101 GLY CA . 25914 2 1060 . 2 2 100 100 GLY N N 15 117.693 0.125 . 1 . . . B 101 GLY N . 25914 2 stop_ save_