data_19442 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19442 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for E7 protein from human Papillomavirus 16 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-08-20 _Entry.Accession_date 2013-08-20 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Eduardo Calcada . . . 19442 2 Isabella Felli . C. . 19442 3 Tomas Hosek . . . 19442 4 Roberta Pierattelli . . . 19442 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19442 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 126 19442 '15N chemical shifts' 42 19442 '1H chemical shifts' 39 19442 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-10-02 2013-08-20 update BMRB 'update entry citation' 19442 1 . . 2013-09-19 2013-08-20 original author 'original release' 19442 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19442 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23940009 _Citation.Full_citation . _Citation.Title 'The Heterogeneous Structural Behavior of E7 from HPV16 Revealed by NMR Spectroscopy.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Chembiochem _Citation.Journal_name_full 'Chembiochem : a European journal of chemical biology' _Citation.Journal_volume 14 _Citation.Journal_issue 14 _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 1876 _Citation.Page_last 1882 _Citation.Year 2013 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Eduardo Calcada . O. . 19442 1 2 Isabella Felli . C. . 19442 1 3 Toma Hoek . . . 19442 1 4 Roberta Pierattelli . . . 19442 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19442 _Assembly.ID 1 _Assembly.Name 'E7 dimer' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 E7_1 1 $HPV16_E7 A . yes native no no . . . 19442 1 2 E7_2 1 $HPV16_E7 B . yes native no no . . . 19442 1 3 'Zinc Ion 1' 2 $entity_ZN C . no native no no . . . 19442 1 4 'Zinc Ion 2' 2 $entity_ZN D . no native no no . . . 19442 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 E7_1 1 CYS 58 58 SG . 3 'Zinc Ion 1' 2 ZN 1 1 ZN . E7_1 58 CYS SG . 'Zinc Ion 1' 1 ZN ZN 19442 1 2 coordination single . 1 E7_1 1 CYS 61 61 SG . 3 'Zinc Ion 1' 2 ZN 1 1 ZN . E7_1 61 CYS SG . 'Zinc Ion 1' 1 ZN ZN 19442 1 3 coordination single . 1 E7_1 1 CYS 91 91 SG . 3 'Zinc Ion 1' 2 ZN 1 1 ZN . E7_1 91 CYS SG . 'Zinc Ion 1' 1 ZN ZN 19442 1 4 coordination single . 1 E7_1 1 CYS 94 94 SG . 3 'Zinc Ion 1' 2 ZN 1 1 ZN . E7_1 94 CYS SG . 'Zinc Ion 1' 1 ZN ZN 19442 1 5 coordination single . 2 E7_2 1 CYS 58 58 SG . 4 'Zinc Ion 2' 2 ZN 1 1 ZN . E7_2 58 CYS SG . 'Zinc Ion 2' 1 ZN ZN 19442 1 6 coordination single . 2 E7_2 1 CYS 61 61 SG . 4 'Zinc Ion 2' 2 ZN 1 1 ZN . E7_2 61 CYS SG . 'Zinc Ion 2' 1 ZN ZN 19442 1 7 coordination single . 2 E7_2 1 CYS 91 91 SG . 4 'Zinc Ion 2' 2 ZN 1 1 ZN . E7_2 91 CYS SG . 'Zinc Ion 2' 1 ZN ZN 19442 1 8 coordination single . 2 E7_2 1 CYS 94 94 SG . 4 'Zinc Ion 2' 2 ZN 1 1 ZN . E7_2 94 CYS SG . 'Zinc Ion 2' 1 ZN ZN 19442 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HPV16_E7 _Entity.Sf_category entity _Entity.Sf_framecode HPV16_E7 _Entity.Entry_ID 19442 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HPV16_E7 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MHGDTPTLHEYMLDLQPETT DLYCYEQLNDSSEEEDEIDG PAGQAEPDRAHYNIVTFCCK CDSTLRLCVQSTHVDIRTLE DLLMGTLGIVCPICSQKPLE HHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 106 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'other bound and free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no DBJ BAA00633 . "E7 protein [Human papillomavirus type 16]" . . . . . 92.45 98 100.00 100.00 3.54e-64 . . . . 19442 1 2 no DBJ BAN15982 . "early protein E7 [Human papillomavirus type 16]" . . . . . 92.45 98 98.98 100.00 1.96e-63 . . . . 19442 1 3 no DBJ BAN15983 . "early protein E7 [Human papillomavirus type 16]" . . . . . 92.45 98 98.98 100.00 1.96e-63 . . . . 19442 1 4 no DBJ BAN15984 . "early protein E7 [Human papillomavirus type 16]" . . . . . 92.45 98 98.98 100.00 1.96e-63 . . . . 19442 1 5 no DBJ BAN15985 . "early protein E7 [Human papillomavirus type 16]" . . . . . 92.45 98 98.98 100.00 1.96e-63 . . . . 19442 1 6 no EMBL CAB45105 . "E7 protein [Human papillomavirus type 16]" . . . . . 92.45 98 100.00 100.00 3.54e-64 . . . . 19442 1 7 no EMBL CAB45107 . "E7 protein [Human papillomavirus type 16]" . . . . . 92.45 98 100.00 100.00 3.54e-64 . . . . 19442 1 8 no EMBL CAB45109 . "E7 protein [Human papillomavirus type 16]" . . . . . 92.45 98 100.00 100.00 3.54e-64 . . . . 19442 1 9 no EMBL CAB45111 . "E7 protein [Human papillomavirus type 16]" . . . . . 92.45 98 100.00 100.00 3.54e-64 . . . . 19442 1 10 no EMBL CAB45113 . "E7 protein [Human papillomavirus type 16]" . . . . . 92.45 98 100.00 100.00 3.54e-64 . . . . 19442 1 11 no GB AAA46940 . "transforming protein [Human papillomavirus type 16]" . . . . . 92.45 98 100.00 100.00 3.54e-64 . . . . 19442 1 12 no GB AAB18962 . "E7 protein [Human papillomavirus type 16]" . . . . . 92.45 98 100.00 100.00 3.54e-64 . . . . 19442 1 13 no GB AAB18963 . "E7 protein [Human papillomavirus type 16]" . . . . . 92.45 98 100.00 100.00 3.54e-64 . . . . 19442 1 14 no GB AAB18964 . "E7 protein [Human papillomavirus type 16]" . . . . . 92.45 98 100.00 100.00 3.54e-64 . . . . 19442 1 15 no GB AAB70737 . "E7 protein [Human papillomavirus type 16]" . . . . . 92.45 98 100.00 100.00 3.54e-64 . . . . 19442 1 16 no PRF 2002324A . "HPV16 E7 protein" . . . . . 92.45 98 100.00 100.00 3.54e-64 . . . . 19442 1 17 no REF NP_041326 . "transforming protein [Human papillomavirus type 16]" . . . . . 92.45 98 100.00 100.00 3.54e-64 . . . . 19442 1 18 no REF WP_053289714 . "hypothetical protein [Clostridium botulinum]" . . . . . 85.85 91 98.90 100.00 2.56e-58 . . . . 19442 1 19 no SP P03129 . "RecName: Full=Protein E7" . . . . . 92.45 98 100.00 100.00 3.54e-64 . . . . 19442 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 19442 1 2 . HIS . 19442 1 3 . GLY . 19442 1 4 . ASP . 19442 1 5 . THR . 19442 1 6 . PRO . 19442 1 7 . THR . 19442 1 8 . LEU . 19442 1 9 . HIS . 19442 1 10 . GLU . 19442 1 11 . TYR . 19442 1 12 . MET . 19442 1 13 . LEU . 19442 1 14 . ASP . 19442 1 15 . LEU . 19442 1 16 . GLN . 19442 1 17 . PRO . 19442 1 18 . GLU . 19442 1 19 . THR . 19442 1 20 . THR . 19442 1 21 . ASP . 19442 1 22 . LEU . 19442 1 23 . TYR . 19442 1 24 . CYS . 19442 1 25 . TYR . 19442 1 26 . GLU . 19442 1 27 . GLN . 19442 1 28 . LEU . 19442 1 29 . ASN . 19442 1 30 . ASP . 19442 1 31 . SER . 19442 1 32 . SER . 19442 1 33 . GLU . 19442 1 34 . GLU . 19442 1 35 . GLU . 19442 1 36 . ASP . 19442 1 37 . GLU . 19442 1 38 . ILE . 19442 1 39 . ASP . 19442 1 40 . GLY . 19442 1 41 . PRO . 19442 1 42 . ALA . 19442 1 43 . GLY . 19442 1 44 . GLN . 19442 1 45 . ALA . 19442 1 46 . GLU . 19442 1 47 . PRO . 19442 1 48 . ASP . 19442 1 49 . ARG . 19442 1 50 . ALA . 19442 1 51 . HIS . 19442 1 52 . TYR . 19442 1 53 . ASN . 19442 1 54 . ILE . 19442 1 55 . VAL . 19442 1 56 . THR . 19442 1 57 . PHE . 19442 1 58 . CYS . 19442 1 59 . CYS . 19442 1 60 . LYS . 19442 1 61 . CYS . 19442 1 62 . ASP . 19442 1 63 . SER . 19442 1 64 . THR . 19442 1 65 . LEU . 19442 1 66 . ARG . 19442 1 67 . LEU . 19442 1 68 . CYS . 19442 1 69 . VAL . 19442 1 70 . GLN . 19442 1 71 . SER . 19442 1 72 . THR . 19442 1 73 . HIS . 19442 1 74 . VAL . 19442 1 75 . ASP . 19442 1 76 . ILE . 19442 1 77 . ARG . 19442 1 78 . THR . 19442 1 79 . LEU . 19442 1 80 . GLU . 19442 1 81 . ASP . 19442 1 82 . LEU . 19442 1 83 . LEU . 19442 1 84 . MET . 19442 1 85 . GLY . 19442 1 86 . THR . 19442 1 87 . LEU . 19442 1 88 . GLY . 19442 1 89 . ILE . 19442 1 90 . VAL . 19442 1 91 . CYS . 19442 1 92 . PRO . 19442 1 93 . ILE . 19442 1 94 . CYS . 19442 1 95 . SER . 19442 1 96 . GLN . 19442 1 97 . LYS . 19442 1 98 . PRO . 19442 1 99 . LEU . 19442 1 100 . GLU . 19442 1 101 . HIS . 19442 1 102 . HIS . 19442 1 103 . HIS . 19442 1 104 . HIS . 19442 1 105 . HIS . 19442 1 106 . HIS . 19442 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 . MET 1 1 19442 1 . HIS 2 2 19442 1 . GLY 3 3 19442 1 . ASP 4 4 19442 1 . THR 5 5 19442 1 . PRO 6 6 19442 1 . THR 7 7 19442 1 . LEU 8 8 19442 1 . HIS 9 9 19442 1 . GLU 10 10 19442 1 . TYR 11 11 19442 1 . MET 12 12 19442 1 . LEU 13 13 19442 1 . ASP 14 14 19442 1 . LEU 15 15 19442 1 . GLN 16 16 19442 1 . PRO 17 17 19442 1 . GLU 18 18 19442 1 . THR 19 19 19442 1 . THR 20 20 19442 1 . ASP 21 21 19442 1 . LEU 22 22 19442 1 . TYR 23 23 19442 1 . CYS 24 24 19442 1 . TYR 25 25 19442 1 . GLU 26 26 19442 1 . GLN 27 27 19442 1 . LEU 28 28 19442 1 . ASN 29 29 19442 1 . ASP 30 30 19442 1 . SER 31 31 19442 1 . SER 32 32 19442 1 . GLU 33 33 19442 1 . GLU 34 34 19442 1 . GLU 35 35 19442 1 . ASP 36 36 19442 1 . GLU 37 37 19442 1 . ILE 38 38 19442 1 . ASP 39 39 19442 1 . GLY 40 40 19442 1 . PRO 41 41 19442 1 . ALA 42 42 19442 1 . GLY 43 43 19442 1 . GLN 44 44 19442 1 . ALA 45 45 19442 1 . GLU 46 46 19442 1 . PRO 47 47 19442 1 . ASP 48 48 19442 1 . ARG 49 49 19442 1 . ALA 50 50 19442 1 . HIS 51 51 19442 1 . TYR 52 52 19442 1 . ASN 53 53 19442 1 . ILE 54 54 19442 1 . VAL 55 55 19442 1 . THR 56 56 19442 1 . PHE 57 57 19442 1 . CYS 58 58 19442 1 . CYS 59 59 19442 1 . LYS 60 60 19442 1 . CYS 61 61 19442 1 . ASP 62 62 19442 1 . SER 63 63 19442 1 . THR 64 64 19442 1 . LEU 65 65 19442 1 . ARG 66 66 19442 1 . LEU 67 67 19442 1 . CYS 68 68 19442 1 . VAL 69 69 19442 1 . GLN 70 70 19442 1 . SER 71 71 19442 1 . THR 72 72 19442 1 . HIS 73 73 19442 1 . VAL 74 74 19442 1 . ASP 75 75 19442 1 . ILE 76 76 19442 1 . ARG 77 77 19442 1 . THR 78 78 19442 1 . LEU 79 79 19442 1 . GLU 80 80 19442 1 . ASP 81 81 19442 1 . LEU 82 82 19442 1 . LEU 83 83 19442 1 . MET 84 84 19442 1 . GLY 85 85 19442 1 . THR 86 86 19442 1 . LEU 87 87 19442 1 . GLY 88 88 19442 1 . ILE 89 89 19442 1 . VAL 90 90 19442 1 . CYS 91 91 19442 1 . PRO 92 92 19442 1 . ILE 93 93 19442 1 . CYS 94 94 19442 1 . SER 95 95 19442 1 . GLN 96 96 19442 1 . LYS 97 97 19442 1 . PRO 98 98 19442 1 . LEU 99 99 19442 1 . GLU 100 100 19442 1 . HIS 101 101 19442 1 . HIS 102 102 19442 1 . HIS 103 103 19442 1 . HIS 104 104 19442 1 . HIS 105 105 19442 1 . HIS 106 106 19442 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 19442 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name 'ZINC ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _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 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 19442 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 19442 2 ZN 'Three letter code' 19442 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ZN $chem_comp_ZN 19442 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 ZN ZN 19442 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19442 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $HPV16_E7 . 10566 virus . 'Human Papillomavirus-16' HPV . . Virus . Alphapapillomavirus 'Human Papillomavirus-16' . . . . . . . . . . . . . . . . . . . . . 19442 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 19442 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $HPV16_E7 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET20-E7 . . . . . . 19442 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 19442 _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 19442 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 19442 ZN [Zn++] SMILES CACTVS 3.341 19442 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 19442 ZN [Zn+2] SMILES ACDLabs 10.04 19442 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 19442 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 19442 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 19442 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 19442 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 . 19442 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19442 _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 HEPES 'natural abundance' . . . . . . 10 . . mM . . . . 19442 1 2 'potassium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 19442 1 3 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 19442 1 4 'zinc chloride' 'natural abundance' . . 2 $entity_ZN . . 10 . . uM . . . . 19442 1 5 'HPV16 E7' '[U-13C; U-15N]' . . 1 $HPV16_E7 . . 760 . . mM 76 . . . 19442 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19442 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19442 1 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 19442 _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' 150 . mM 19442 1 pH 7.5 . pH 19442 1 pressure 1 . atm 19442 1 temperature 298 . K 19442 1 stop_ save_ ############################ # Computer software used # ############################ save_TopSpin _Software.Sf_category software _Software.Sf_framecode TopSpin _Software.Entry_ID 19442 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 19442 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19442 1 stop_ save_ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 19442 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.115 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'T. D. Goddard and D. G. Kneller' 'University of California, San Francisco' sparky@cgl.ucsf.edu 19442 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19442 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 19442 _Software.ID 3 _Software.Name CARA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 19442 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19442 3 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 19442 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'equipped with cryogenically cooled probe optimised for 13C detection (CPTXO)' _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 19442 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'equipped with cryogenically cooled probe (CPTXI)' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 19442 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details 'equipped with cryogenically cooled probe (CPTXI)' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 19442 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details 'equipped with cryogenically cooled probe (CPTXI)' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _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 19442 _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 'equipped with cryogenically cooled probe optimised for 13C detection (CPTXO)' . . 19442 1 2 spectrometer_2 Bruker Avance . 800 'equipped with cryogenically cooled probe (CPTXI)' . . 19442 1 3 spectrometer_3 Bruker Avance . 900 'equipped with cryogenically cooled probe (CPTXI)' . . 19442 1 4 spectrometer_4 Bruker DRX . 500 'equipped with cryogenically cooled probe (CPTXI)' . . 19442 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 19442 _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 SOFAST HMQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19442 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19442 1 3 '3D HNCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19442 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19442 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19442 1 6 '3D HNCANNH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19442 1 7 '2D 13C-15N CON-IPAP' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19442 1 8 '2D 13C-13C HCACO-IPAP' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19442 1 9 '3D HCBCACON-IPAP' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19442 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 19442 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19442 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19442 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19442 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 19442 _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 SOFAST HMQC' . . . 19442 1 2 '3D HNCO' . . . 19442 1 3 '3D HNCACO' . . . 19442 1 4 '3D HNCACB' . . . 19442 1 5 '3D CBCA(CO)NH' . . . 19442 1 6 '3D HNCANNH' . . . 19442 1 7 '2D 13C-15N CON-IPAP' . . . 19442 1 8 '2D 13C-13C HCACO-IPAP' . . . 19442 1 9 '3D HCBCACON-IPAP' . . . 19442 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 3 3 GLY C C 13 173.9 0.1 . 1 . . . . 3 GLY C . 19442 1 2 . 1 1 3 3 GLY CA C 13 45.3 0.1 . 1 . . . . 3 GLY CA . 19442 1 3 . 1 1 4 4 ASP H H 1 8.28 0.02 . 1 . . . . 4 ASP H . 19442 1 4 . 1 1 4 4 ASP C C 13 176.3 0.1 . 1 . . . . 4 ASP C . 19442 1 5 . 1 1 4 4 ASP CA C 13 54.2 0.1 . 1 . . . . 4 ASP CA . 19442 1 6 . 1 1 4 4 ASP CB C 13 41.1 0.1 . 1 . . . . 4 ASP CB . 19442 1 7 . 1 1 4 4 ASP N N 15 120.4 0.1 . 1 . . . . 4 ASP N . 19442 1 8 . 1 1 5 5 THR H H 1 8.16 0.02 . 1 . . . . 5 THR H . 19442 1 9 . 1 1 5 5 THR C C 13 172.9 0.1 . 1 . . . . 5 THR C . 19442 1 10 . 1 1 5 5 THR CA C 13 59.8 0.1 . 1 . . . . 5 THR CA . 19442 1 11 . 1 1 5 5 THR CB C 13 69.8 0.1 . 1 . . . . 5 THR CB . 19442 1 12 . 1 1 5 5 THR N N 15 116.5 0.1 . 1 . . . . 5 THR N . 19442 1 13 . 1 1 6 6 PRO C C 13 177.0 0.1 . 1 . . . . 6 PRO C . 19442 1 14 . 1 1 6 6 PRO CA C 13 63.3 0.1 . 1 . . . . 6 PRO CA . 19442 1 15 . 1 1 6 6 PRO CB C 13 31.9 0.1 . 1 . . . . 6 PRO CB . 19442 1 16 . 1 1 6 6 PRO N N 15 139.0 0.1 . 1 . . . . 6 PRO N . 19442 1 17 . 1 1 7 7 THR H H 1 8.24 0.02 . 1 . . . . 7 THR H . 19442 1 18 . 1 1 7 7 THR C C 13 174.4 0.1 . 1 . . . . 7 THR C . 19442 1 19 . 1 1 7 7 THR CA C 13 62.0 0.1 . 1 . . . . 7 THR CA . 19442 1 20 . 1 1 7 7 THR CB C 13 69.8 0.1 . 1 . . . . 7 THR CB . 19442 1 21 . 1 1 7 7 THR N N 15 115.1 0.1 . 1 . . . . 7 THR N . 19442 1 22 . 1 1 8 8 LEU H H 1 8.21 0.02 . 1 . . . . 8 LEU H . 19442 1 23 . 1 1 8 8 LEU C C 13 176.9 0.1 . 1 . . . . 8 LEU C . 19442 1 24 . 1 1 8 8 LEU CA C 13 55.4 0.1 . 1 . . . . 8 LEU CA . 19442 1 25 . 1 1 8 8 LEU CB C 13 42.2 0.1 . 1 . . . . 8 LEU CB . 19442 1 26 . 1 1 8 8 LEU N N 15 124.6 0.1 . 1 . . . . 8 LEU N . 19442 1 27 . 1 1 9 9 HIS H H 1 8.18 0.02 . 1 . . . . 9 HIS H . 19442 1 28 . 1 1 9 9 HIS C C 13 175.5 0.1 . 1 . . . . 9 HIS C . 19442 1 29 . 1 1 9 9 HIS CA C 13 56.7 0.1 . 1 . . . . 9 HIS CA . 19442 1 30 . 1 1 9 9 HIS CB C 13 30.8 0.1 . 1 . . . . 9 HIS CB . 19442 1 31 . 1 1 9 9 HIS N N 15 120.2 0.1 . 1 . . . . 9 HIS N . 19442 1 32 . 1 1 11 11 TYR H H 1 8.13 0.02 . 1 . . . . 11 TYR H . 19442 1 33 . 1 1 11 11 TYR C C 13 175.8 0.1 . 1 . . . . 11 TYR C . 19442 1 34 . 1 1 11 11 TYR CA C 13 58.0 0.1 . 1 . . . . 11 TYR CA . 19442 1 35 . 1 1 11 11 TYR CB C 13 38.4 0.1 . 1 . . . . 11 TYR CB . 19442 1 36 . 1 1 11 11 TYR N N 15 120.2 0.1 . 1 . . . . 11 TYR N . 19442 1 37 . 1 1 12 12 MET H H 1 8.13 0.02 . 1 . . . . 12 MET H . 19442 1 38 . 1 1 12 12 MET C C 13 175.9 0.1 . 1 . . . . 12 MET C . 19442 1 39 . 1 1 12 12 MET CA C 13 55.5 0.1 . 1 . . . . 12 MET CA . 19442 1 40 . 1 1 12 12 MET CB C 13 32.5 0.1 . 1 . . . . 12 MET CB . 19442 1 41 . 1 1 12 12 MET N N 15 121.4 0.1 . 1 . . . . 12 MET N . 19442 1 42 . 1 1 13 13 LEU H H 1 8.00 0.02 . 1 . . . . 13 LEU H . 19442 1 43 . 1 1 13 13 LEU C C 13 176.9 0.1 . 1 . . . . 13 LEU C . 19442 1 44 . 1 1 13 13 LEU CA C 13 55.5 0.1 . 1 . . . . 13 LEU CA . 19442 1 45 . 1 1 13 13 LEU CB C 13 42.4 0.1 . 1 . . . . 13 LEU CB . 19442 1 46 . 1 1 13 13 LEU N N 15 122.6 0.1 . 1 . . . . 13 LEU N . 19442 1 47 . 1 1 14 14 ASP H H 1 8.23 0.02 . 1 . . . . 14 ASP H . 19442 1 48 . 1 1 14 14 ASP C C 13 175.8 0.1 . 1 . . . . 14 ASP C . 19442 1 49 . 1 1 14 14 ASP CA C 13 54.3 0.1 . 1 . . . . 14 ASP CA . 19442 1 50 . 1 1 14 14 ASP CB C 13 41.0 0.1 . 1 . . . . 14 ASP CB . 19442 1 51 . 1 1 14 14 ASP N N 15 120.6 0.1 . 1 . . . . 14 ASP N . 19442 1 52 . 1 1 15 15 LEU H H 1 7.97 0.02 . 1 . . . . 15 LEU H . 19442 1 53 . 1 1 15 15 LEU C C 13 177.1 0.1 . 1 . . . . 15 LEU C . 19442 1 54 . 1 1 15 15 LEU CA C 13 54.8 0.1 . 1 . . . . 15 LEU CA . 19442 1 55 . 1 1 15 15 LEU CB C 13 42.3 0.1 . 1 . . . . 15 LEU CB . 19442 1 56 . 1 1 15 15 LEU N N 15 120.0 0.1 . 1 . . . . 15 LEU N . 19442 1 57 . 1 1 16 16 GLN H H 1 8.36 0.02 . 1 . . . . 16 GLN H . 19442 1 58 . 1 1 16 16 GLN C C 13 173.9 0.1 . 1 . . . . 16 GLN C . 19442 1 59 . 1 1 16 16 GLN CA C 13 53.6 0.1 . 1 . . . . 16 GLN CA . 19442 1 60 . 1 1 16 16 GLN CB C 13 28.7 0.1 . 1 . . . . 16 GLN CB . 19442 1 61 . 1 1 16 16 GLN N N 15 122.3 0.1 . 1 . . . . 16 GLN N . 19442 1 62 . 1 1 17 17 PRO C C 13 177.0 0.1 . 1 . . . . 17 PRO C . 19442 1 63 . 1 1 17 17 PRO CA C 13 63.0 0.1 . 1 . . . . 17 PRO CA . 19442 1 64 . 1 1 17 17 PRO CB C 13 32.0 0.1 . 1 . . . . 17 PRO CB . 19442 1 65 . 1 1 17 17 PRO N N 15 137.1 0.1 . 1 . . . . 17 PRO N . 19442 1 66 . 1 1 18 18 GLU H H 1 8.62 0.02 . 1 . . . . 18 GLU H . 19442 1 67 . 1 1 18 18 GLU C C 13 176.9 0.1 . 1 . . . . 18 GLU C . 19442 1 68 . 1 1 18 18 GLU CA C 13 56.8 0.1 . 1 . . . . 18 GLU CA . 19442 1 69 . 1 1 18 18 GLU CB C 13 30.2 0.1 . 1 . . . . 18 GLU CB . 19442 1 70 . 1 1 18 18 GLU N N 15 120.9 0.1 . 1 . . . . 18 GLU N . 19442 1 71 . 1 1 19 19 THR H H 1 8.21 0.02 . 1 . . . . 19 THR H . 19442 1 72 . 1 1 19 19 THR C C 13 174.6 0.1 . 1 . . . . 19 THR C . 19442 1 73 . 1 1 19 19 THR CA C 13 61.7 0.1 . 1 . . . . 19 THR CA . 19442 1 74 . 1 1 19 19 THR CB C 13 69.8 0.1 . 1 . . . . 19 THR CB . 19442 1 75 . 1 1 19 19 THR N N 15 115.1 0.1 . 1 . . . . 19 THR N . 19442 1 76 . 1 1 20 20 THR H H 1 8.16 0.02 . 1 . . . . 20 THR H . 19442 1 77 . 1 1 20 20 THR C C 13 174.2 0.1 . 1 . . . . 20 THR C . 19442 1 78 . 1 1 20 20 THR CA C 13 62.0 0.1 . 1 . . . . 20 THR CA . 19442 1 79 . 1 1 20 20 THR CB C 13 69.8 0.1 . 1 . . . . 20 THR CB . 19442 1 80 . 1 1 20 20 THR N N 15 116.1 0.1 . 1 . . . . 20 THR N . 19442 1 81 . 1 1 21 21 ASP H H 1 8.33 0.02 . 1 . . . . 21 ASP H . 19442 1 82 . 1 1 21 21 ASP C C 13 176.0 0.1 . 1 . . . . 21 ASP C . 19442 1 83 . 1 1 21 21 ASP CA C 13 54.5 0.1 . 1 . . . . 21 ASP CA . 19442 1 84 . 1 1 21 21 ASP CB C 13 41.0 0.1 . 1 . . . . 21 ASP CB . 19442 1 85 . 1 1 21 21 ASP N N 15 122.9 0.1 . 1 . . . . 21 ASP N . 19442 1 86 . 1 1 22 22 LEU H H 1 8.04 0.02 . 1 . . . . 22 LEU H . 19442 1 87 . 1 1 22 22 LEU C C 13 177.1 0.1 . 1 . . . . 22 LEU C . 19442 1 88 . 1 1 22 22 LEU CA C 13 55.4 0.1 . 1 . . . . 22 LEU CA . 19442 1 89 . 1 1 22 22 LEU CB C 13 42.2 0.1 . 1 . . . . 22 LEU CB . 19442 1 90 . 1 1 22 22 LEU N N 15 122.2 0.1 . 1 . . . . 22 LEU N . 19442 1 91 . 1 1 23 23 TYR H H 1 8.13 0.02 . 1 . . . . 23 TYR H . 19442 1 92 . 1 1 23 23 TYR C C 13 175.6 0.1 . 1 . . . . 23 TYR C . 19442 1 93 . 1 1 23 23 TYR CA C 13 58.0 0.1 . 1 . . . . 23 TYR CA . 19442 1 94 . 1 1 23 23 TYR CB C 13 38.4 0.1 . 1 . . . . 23 TYR CB . 19442 1 95 . 1 1 23 23 TYR N N 15 120.4 0.1 . 1 . . . . 23 TYR N . 19442 1 96 . 1 1 24 24 CYS H H 1 7.98 0.02 . 1 . . . . 24 CYS H . 19442 1 97 . 1 1 24 24 CYS C C 13 174.1 0.1 . 1 . . . . 24 CYS C . 19442 1 98 . 1 1 24 24 CYS CA C 13 58.3 0.1 . 1 . . . . 24 CYS CA . 19442 1 99 . 1 1 24 24 CYS CB C 13 27.6 0.1 . 1 . . . . 24 CYS CB . 19442 1 100 . 1 1 24 24 CYS N N 15 120.9 0.1 . 1 . . . . 24 CYS N . 19442 1 101 . 1 1 25 25 TYR H H 1 8.14 0.02 . 1 . . . . 25 TYR H . 19442 1 102 . 1 1 25 25 TYR C C 13 175.8 0.1 . 1 . . . . 25 TYR C . 19442 1 103 . 1 1 25 25 TYR CA C 13 58.2 0.1 . 1 . . . . 25 TYR CA . 19442 1 104 . 1 1 25 25 TYR CB C 13 38.7 0.1 . 1 . . . . 25 TYR CB . 19442 1 105 . 1 1 25 25 TYR N N 15 123.1 0.1 . 1 . . . . 25 TYR N . 19442 1 106 . 1 1 26 26 GLU H H 1 8.27 0.02 . 1 . . . . 26 GLU H . 19442 1 107 . 1 1 26 26 GLU C C 13 176.0 0.1 . 1 . . . . 26 GLU C . 19442 1 108 . 1 1 26 26 GLU CA C 13 56.6 0.1 . 1 . . . . 26 GLU CA . 19442 1 109 . 1 1 26 26 GLU CB C 13 30.3 0.1 . 1 . . . . 26 GLU CB . 19442 1 110 . 1 1 26 26 GLU N N 15 122.3 0.1 . 1 . . . . 26 GLU N . 19442 1 111 . 1 1 27 27 GLN H H 1 8.26 0.02 . 1 . . . . 27 GLN H . 19442 1 112 . 1 1 27 27 GLN C C 13 175.8 0.1 . 1 . . . . 27 GLN C . 19442 1 113 . 1 1 27 27 GLN CA C 13 55.7 0.1 . 1 . . . . 27 GLN CA . 19442 1 114 . 1 1 27 27 GLN CB C 13 29.3 0.1 . 1 . . . . 27 GLN CB . 19442 1 115 . 1 1 27 27 GLN N N 15 121.4 0.1 . 1 . . . . 27 GLN N . 19442 1 116 . 1 1 28 28 LEU H H 1 8.25 0.02 . 1 . . . . 28 LEU H . 19442 1 117 . 1 1 28 28 LEU C C 13 177.1 0.1 . 1 . . . . 28 LEU C . 19442 1 118 . 1 1 28 28 LEU CA C 13 55.4 0.1 . 1 . . . . 28 LEU CA . 19442 1 119 . 1 1 28 28 LEU CB C 13 42.2 0.1 . 1 . . . . 28 LEU CB . 19442 1 120 . 1 1 28 28 LEU N N 15 123.8 0.1 . 1 . . . . 28 LEU N . 19442 1 121 . 1 1 29 29 ASN H H 1 8.41 0.02 . 1 . . . . 29 ASN H . 19442 1 122 . 1 1 29 29 ASN C C 13 174.8 0.1 . 1 . . . . 29 ASN C . 19442 1 123 . 1 1 29 29 ASN CA C 13 53.1 0.1 . 1 . . . . 29 ASN CA . 19442 1 124 . 1 1 29 29 ASN CB C 13 39.2 0.1 . 1 . . . . 29 ASN CB . 19442 1 125 . 1 1 29 29 ASN N N 15 119.6 0.1 . 1 . . . . 29 ASN N . 19442 1 126 . 1 1 30 30 ASP H H 1 8.34 0.02 . 1 . . . . 30 ASP H . 19442 1 127 . 1 1 30 30 ASP C C 13 176.3 0.1 . 1 . . . . 30 ASP C . 19442 1 128 . 1 1 30 30 ASP CA C 13 54.2 0.1 . 1 . . . . 30 ASP CA . 19442 1 129 . 1 1 30 30 ASP CB C 13 41.3 0.1 . 1 . . . . 30 ASP CB . 19442 1 130 . 1 1 30 30 ASP N N 15 121.5 0.1 . 1 . . . . 30 ASP N . 19442 1 131 . 1 1 31 31 SER H H 1 8.30 0.02 . 1 . . . . 31 SER H . 19442 1 132 . 1 1 31 31 SER C C 13 174.7 0.1 . 1 . . . . 31 SER C . 19442 1 133 . 1 1 31 31 SER CA C 13 58.3 0.1 . 1 . . . . 31 SER CA . 19442 1 134 . 1 1 31 31 SER CB C 13 63.9 0.1 . 1 . . . . 31 SER CB . 19442 1 135 . 1 1 31 31 SER N N 15 116.5 0.1 . 1 . . . . 31 SER N . 19442 1 136 . 1 1 32 32 SER H H 1 8.44 0.02 . 1 . . . . 32 SER H . 19442 1 137 . 1 1 32 32 SER C C 13 174.6 0.1 . 1 . . . . 32 SER C . 19442 1 138 . 1 1 32 32 SER CA C 13 58.6 0.1 . 1 . . . . 32 SER CA . 19442 1 139 . 1 1 32 32 SER CB C 13 63.8 0.1 . 1 . . . . 32 SER CB . 19442 1 140 . 1 1 32 32 SER N N 15 118.2 0.1 . 1 . . . . 32 SER N . 19442 1 141 . 1 1 33 33 GLU H H 1 8.45 0.02 . 1 . . . . 33 GLU H . 19442 1 142 . 1 1 33 33 GLU C C 13 176.5 0.1 . 1 . . . . 33 GLU C . 19442 1 143 . 1 1 33 33 GLU CA C 13 56.6 0.1 . 1 . . . . 33 GLU CA . 19442 1 144 . 1 1 33 33 GLU CB C 13 30.2 0.1 . 1 . . . . 33 GLU CB . 19442 1 145 . 1 1 33 33 GLU N N 15 122.6 0.1 . 1 . . . . 33 GLU N . 19442 1 146 . 1 1 34 34 GLU H H 1 8.41 0.02 . 1 . . . . 34 GLU H . 19442 1 147 . 1 1 34 34 GLU C C 13 176.2 0.1 . 1 . . . . 34 GLU C . 19442 1 148 . 1 1 34 34 GLU CA C 13 56.3 0.1 . 1 . . . . 34 GLU CA . 19442 1 149 . 1 1 34 34 GLU CB C 13 30.5 0.1 . 1 . . . . 34 GLU CB . 19442 1 150 . 1 1 34 34 GLU N N 15 122.1 0.1 . 1 . . . . 34 GLU N . 19442 1 151 . 1 1 35 35 GLU H H 1 8.39 0.02 . 1 . . . . 35 GLU H . 19442 1 152 . 1 1 35 35 GLU C C 13 176.5 0.1 . 1 . . . . 35 GLU C . 19442 1 153 . 1 1 35 35 GLU CA C 13 56.5 0.1 . 1 . . . . 35 GLU CA . 19442 1 154 . 1 1 35 35 GLU CB C 13 30.3 0.1 . 1 . . . . 35 GLU CB . 19442 1 155 . 1 1 35 35 GLU N N 15 121.9 0.1 . 1 . . . . 35 GLU N . 19442 1 156 . 1 1 36 36 ASP H H 1 8.36 0.02 . 1 . . . . 36 ASP H . 19442 1 157 . 1 1 36 36 ASP C C 13 176.2 0.1 . 1 . . . . 36 ASP C . 19442 1 158 . 1 1 36 36 ASP CA C 13 54.2 0.1 . 1 . . . . 36 ASP CA . 19442 1 159 . 1 1 36 36 ASP CB C 13 41.3 0.1 . 1 . . . . 36 ASP CB . 19442 1 160 . 1 1 36 36 ASP N N 15 121.6 0.1 . 1 . . . . 36 ASP N . 19442 1 161 . 1 1 37 37 GLU H H 1 8.38 0.02 . 1 . . . . 37 GLU H . 19442 1 162 . 1 1 37 37 GLU C C 13 176.5 0.1 . 1 . . . . 37 GLU C . 19442 1 163 . 1 1 37 37 GLU CA C 13 56.6 0.1 . 1 . . . . 37 GLU CA . 19442 1 164 . 1 1 37 37 GLU CB C 13 30.2 0.1 . 1 . . . . 37 GLU CB . 19442 1 165 . 1 1 37 37 GLU N N 15 121.6 0.1 . 1 . . . . 37 GLU N . 19442 1 166 . 1 1 38 38 ILE H H 1 8.21 0.02 . 1 . . . . 38 ILE H . 19442 1 167 . 1 1 38 38 ILE C C 13 176.0 0.1 . 1 . . . . 38 ILE C . 19442 1 168 . 1 1 38 38 ILE CA C 13 61.3 0.1 . 1 . . . . 38 ILE CA . 19442 1 169 . 1 1 38 38 ILE CB C 13 38.7 0.1 . 1 . . . . 38 ILE CB . 19442 1 170 . 1 1 38 38 ILE N N 15 122.2 0.1 . 1 . . . . 38 ILE N . 19442 1 171 . 1 1 39 39 ASP H H 1 8.43 0.02 . 1 . . . . 39 ASP H . 19442 1 172 . 1 1 39 39 ASP C C 13 176.3 0.1 . 1 . . . . 39 ASP C . 19442 1 173 . 1 1 39 39 ASP CA C 13 54.2 0.1 . 1 . . . . 39 ASP CA . 19442 1 174 . 1 1 39 39 ASP CB C 13 41.3 0.1 . 1 . . . . 39 ASP CB . 19442 1 175 . 1 1 39 39 ASP N N 15 124.1 0.1 . 1 . . . . 39 ASP N . 19442 1 176 . 1 1 40 40 GLY H H 1 8.08 0.02 . 1 . . . . 40 GLY H . 19442 1 177 . 1 1 40 40 GLY C C 13 171.8 0.1 . 1 . . . . 40 GLY C . 19442 1 178 . 1 1 40 40 GLY CA C 13 44.8 0.1 . 1 . . . . 40 GLY CA . 19442 1 179 . 1 1 40 40 GLY N N 15 109.2 0.1 . 1 . . . . 40 GLY N . 19442 1 180 . 1 1 41 41 PRO C C 13 177.2 0.1 . 1 . . . . 41 PRO C . 19442 1 181 . 1 1 41 41 PRO CA C 13 63.1 0.1 . 1 . . . . 41 PRO CA . 19442 1 182 . 1 1 41 41 PRO CB C 13 32.0 0.1 . 1 . . . . 41 PRO CB . 19442 1 183 . 1 1 41 41 PRO N N 15 134.5 0.1 . 1 . . . . 41 PRO N . 19442 1 184 . 1 1 42 42 ALA H H 1 8.45 0.02 . 1 . . . . 42 ALA H . 19442 1 185 . 1 1 42 42 ALA C C 13 178.5 0.1 . 1 . . . . 42 ALA C . 19442 1 186 . 1 1 42 42 ALA CA C 13 52.7 0.1 . 1 . . . . 42 ALA CA . 19442 1 187 . 1 1 42 42 ALA CB C 13 19.0 0.1 . 1 . . . . 42 ALA CB . 19442 1 188 . 1 1 42 42 ALA N N 15 124.3 0.1 . 1 . . . . 42 ALA N . 19442 1 189 . 1 1 43 43 GLY H H 1 8.32 0.02 . 1 . . . . 43 GLY H . 19442 1 190 . 1 1 43 43 GLY C C 13 174.1 0.1 . 1 . . . . 43 GLY C . 19442 1 191 . 1 1 43 43 GLY CA C 13 45.4 0.1 . 1 . . . . 43 GLY CA . 19442 1 192 . 1 1 43 43 GLY N N 15 108.0 0.1 . 1 . . . . 43 GLY N . 19442 1 193 . 1 1 44 44 GLN H H 1 8.15 0.02 . 1 . . . . 44 GLN H . 19442 1 194 . 1 1 44 44 GLN C C 13 175.6 0.1 . 1 . . . . 44 GLN C . 19442 1 195 . 1 1 44 44 GLN CA C 13 55.5 0.1 . 1 . . . . 44 GLN CA . 19442 1 196 . 1 1 44 44 GLN CB C 13 29.6 0.1 . 1 . . . . 44 GLN CB . 19442 1 197 . 1 1 44 44 GLN N N 15 119.8 0.1 . 1 . . . . 44 GLN N . 19442 1 198 . 1 1 45 45 ALA H H 1 8.36 0.02 . 1 . . . . 45 ALA H . 19442 1 199 . 1 1 45 45 ALA C C 13 177.5 0.1 . 1 . . . . 45 ALA C . 19442 1 200 . 1 1 45 45 ALA CA C 13 52.4 0.1 . 1 . . . . 45 ALA CA . 19442 1 201 . 1 1 45 45 ALA CB C 13 19.3 0.1 . 1 . . . . 45 ALA CB . 19442 1 202 . 1 1 45 45 ALA N N 15 125.7 0.1 . 1 . . . . 45 ALA N . 19442 1 203 . 1 1 46 46 GLU H H 1 8.40 0.02 . 1 . . . . 46 GLU H . 19442 1 204 . 1 1 46 46 GLU C C 13 174.7 0.1 . 1 . . . . 46 GLU C . 19442 1 205 . 1 1 46 46 GLU CA C 13 56.7 0.1 . 1 . . . . 46 GLU CA . 19442 1 206 . 1 1 46 46 GLU CB C 13 30.2 0.1 . 1 . . . . 46 GLU CB . 19442 1 207 . 1 1 46 46 GLU N N 15 121.7 0.1 . 1 . . . . 46 GLU N . 19442 1 stop_ save_