data_17729 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17729 _Entry.Title ; Structure of the DNA complex of the C-Terminal domain of Ler ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-06-23 _Entry.Accession_date 2011-06-23 _Entry.Last_release_date 2011-12-06 _Entry.Original_release_date 2011-12-06 _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 Tiago Cordeiro . . . 17729 2 Holger Schimdt . . . 17729 3 Christian Grisienger . . . 17729 4 Miquel Pons . . . 17729 5 Tiago Cordeiro . . . 17729 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' . 17729 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Arginine-minor-groove Recognition' . 17729 EHEC . 17729 'Horizontal gene Transfer' . 17729 'Indirect Readout' . 17729 'Nucleoid associated Proteins' . 17729 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17729 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 151 17729 '15N chemical shifts' 59 17729 '1H chemical shifts' 637 17729 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 . . 2011-12-06 2011-06-23 original author . 17729 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LEV 'BMRB Entry Tracking System' 17729 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17729 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22114557 _Citation.Full_citation . _Citation.Title 'Indirect DNA Readout by an H-NS Related Protein: Structure of the DNA Complex of the C-Terminal Domain of Ler' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS Pathog.' _Citation.Journal_name_full . _Citation.Journal_volume 7 _Citation.Journal_issue 11 _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 e1002380 _Citation.Page_last . _Citation.Year 2011 _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 Tiago Cordeiro . . . 17729 1 2 Holger Schimdt . . . 17729 1 3 Cristina Madrid . . . 17729 1 4 Antonio Juarez . . . 17729 1 5 Pau Bernado . . . 17729 1 6 Christian Grisienger . . . 17729 1 7 Jesus Garcia . . . 17729 1 8 Miquel Pons . . . 17729 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17729 _Assembly.ID 1 _Assembly.Name 'C-Terminal domain of Ler' _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 CT-Ler 1 $CT-Ler A . yes native no no . . . 17729 1 2 LeeH_A 2 $LeeH_A B . yes native no no . . . 17729 1 3 LeeH_B 3 $LeeH_B C . yes native no no . . . 17729 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CT-Ler _Entity.Sf_category entity _Entity.Sf_framecode CT-Ler _Entity.Entry_ID 17729 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CT-Ler _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 ; SHHHHHHSMGNSSKGVYYRN EEGQTWSGVGRQPRWLKEAL LNGMKKEDFLVKDTEEE ; _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 57 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6703.430 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2LEV . "Structure Of The Dna Complex Of The C-Terminal Domain Of Ler" . . . . . 100.00 57 100.00 100.00 5.58e-33 . . . . 17729 1 2 no DBJ BAB38011 . "Ler protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 82.46 129 100.00 100.00 1.36e-25 . . . . 17729 1 3 no DBJ BAI28393 . "transcription regulator Ler [Escherichia coli O26:H11 str. 11368]" . . . . . 82.46 129 97.87 100.00 3.97e-25 . . . . 17729 1 4 no DBJ BAI32361 . "transcription regulator Ler [Escherichia coli O103:H2 str. 12009]" . . . . . 82.46 129 97.87 100.00 3.97e-25 . . . . 17729 1 5 no DBJ BAI37557 . "transcription regulator Ler [Escherichia coli O111:H- str. 11128]" . . . . . 82.46 129 100.00 100.00 1.26e-25 . . . . 17729 1 6 no DBJ BAT37610 . "transcription regulator Ler [Escherichia albertii]" . . . . . 82.46 129 100.00 100.00 1.27e-25 . . . . 17729 1 7 no EMBL CAC81843 . "Ler protein [Escherichia coli]" . . . . . 82.46 129 97.87 100.00 3.97e-25 . . . . 17729 1 8 no EMBL CAG17510 . "Ler protein [Escherichia coli]" . . . . . 82.46 129 100.00 100.00 1.36e-25 . . . . 17729 1 9 no EMBL CAI43893 . "LEE encoded regulator [Escherichia coli]" . . . . . 82.46 116 97.87 100.00 4.21e-25 . . . . 17729 1 10 no EMBL CAR47961 . "Ler protein [Escherichia coli]" . . . . . 82.46 129 97.87 100.00 3.97e-25 . . . . 17729 1 11 no EMBL CAS11516 . "transcription regulator Ler [Escherichia coli O127:H6 str. E2348/69]" . . . . . 82.46 129 100.00 100.00 1.26e-25 . . . . 17729 1 12 no GB AAC31533 . "L0054 [Escherichia coli O157:H7 str. EDL933]" . . . . . 82.46 129 100.00 100.00 1.36e-25 . . . . 17729 1 13 no GB AAC38364 . "Orf1 [Escherichia coli]" . . . . . 82.46 129 100.00 100.00 1.26e-25 . . . . 17729 1 14 no GB AAG58852 . "hypothetical protein Z5140 [Escherichia coli O157:H7 str. EDL933]" . . . . . 82.46 129 100.00 100.00 1.36e-25 . . . . 17729 1 15 no GB AAK26696 . "Ler [Escherichia coli]" . . . . . 82.46 129 97.87 100.00 3.97e-25 . . . . 17729 1 16 no GB AAL57523 . "Ler [Escherichia coli]" . . . . . 82.46 129 97.87 100.00 3.97e-25 . . . . 17729 1 17 no REF NP_312615 . "hypothetical protein ECs4588 [Escherichia coli O157:H7 str. Sakai]" . . . . . 82.46 129 100.00 100.00 1.36e-25 . . . . 17729 1 18 no REF WP_001055727 . "hypothetical protein [Escherichia coli]" . . . . . 82.46 123 100.00 100.00 1.14e-25 . . . . 17729 1 19 no REF WP_001055728 . "hypothetical protein [Escherichia coli]" . . . . . 82.46 123 100.00 100.00 1.18e-25 . . . . 17729 1 20 no REF WP_001310359 . "hypothetical protein [Escherichia coli]" . . . . . 82.46 129 100.00 100.00 1.36e-25 . . . . 17729 1 21 no REF WP_001339878 . "H-NS histone family protein [Escherichia coli]" . . . . . 82.46 123 100.00 100.00 1.08e-25 . . . . 17729 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 -9 SER . 17729 1 2 -8 HIS . 17729 1 3 -7 HIS . 17729 1 4 -6 HIS . 17729 1 5 -5 HIS . 17729 1 6 -4 HIS . 17729 1 7 -3 HIS . 17729 1 8 -2 SER . 17729 1 9 -1 MET . 17729 1 10 0 GLY . 17729 1 11 1 ASN . 17729 1 12 2 SER . 17729 1 13 3 SER . 17729 1 14 4 LYS . 17729 1 15 5 GLY . 17729 1 16 6 VAL . 17729 1 17 7 TYR . 17729 1 18 8 TYR . 17729 1 19 9 ARG . 17729 1 20 10 ASN . 17729 1 21 11 GLU . 17729 1 22 12 GLU . 17729 1 23 13 GLY . 17729 1 24 14 GLN . 17729 1 25 15 THR . 17729 1 26 16 TRP . 17729 1 27 17 SER . 17729 1 28 18 GLY . 17729 1 29 19 VAL . 17729 1 30 20 GLY . 17729 1 31 21 ARG . 17729 1 32 22 GLN . 17729 1 33 23 PRO . 17729 1 34 24 ARG . 17729 1 35 25 TRP . 17729 1 36 26 LEU . 17729 1 37 27 LYS . 17729 1 38 28 GLU . 17729 1 39 29 ALA . 17729 1 40 30 LEU . 17729 1 41 31 LEU . 17729 1 42 32 ASN . 17729 1 43 33 GLY . 17729 1 44 34 MET . 17729 1 45 35 LYS . 17729 1 46 36 LYS . 17729 1 47 37 GLU . 17729 1 48 38 ASP . 17729 1 49 39 PHE . 17729 1 50 40 LEU . 17729 1 51 41 VAL . 17729 1 52 42 LYS . 17729 1 53 43 ASP . 17729 1 54 44 THR . 17729 1 55 45 GLU . 17729 1 56 46 GLU . 17729 1 57 47 GLU . 17729 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 17729 1 . HIS 2 2 17729 1 . HIS 3 3 17729 1 . HIS 4 4 17729 1 . HIS 5 5 17729 1 . HIS 6 6 17729 1 . HIS 7 7 17729 1 . SER 8 8 17729 1 . MET 9 9 17729 1 . GLY 10 10 17729 1 . ASN 11 11 17729 1 . SER 12 12 17729 1 . SER 13 13 17729 1 . LYS 14 14 17729 1 . GLY 15 15 17729 1 . VAL 16 16 17729 1 . TYR 17 17 17729 1 . TYR 18 18 17729 1 . ARG 19 19 17729 1 . ASN 20 20 17729 1 . GLU 21 21 17729 1 . GLU 22 22 17729 1 . GLY 23 23 17729 1 . GLN 24 24 17729 1 . THR 25 25 17729 1 . TRP 26 26 17729 1 . SER 27 27 17729 1 . GLY 28 28 17729 1 . VAL 29 29 17729 1 . GLY 30 30 17729 1 . ARG 31 31 17729 1 . GLN 32 32 17729 1 . PRO 33 33 17729 1 . ARG 34 34 17729 1 . TRP 35 35 17729 1 . LEU 36 36 17729 1 . LYS 37 37 17729 1 . GLU 38 38 17729 1 . ALA 39 39 17729 1 . LEU 40 40 17729 1 . LEU 41 41 17729 1 . ASN 42 42 17729 1 . GLY 43 43 17729 1 . MET 44 44 17729 1 . LYS 45 45 17729 1 . LYS 46 46 17729 1 . GLU 47 47 17729 1 . ASP 48 48 17729 1 . PHE 49 49 17729 1 . LEU 50 50 17729 1 . VAL 51 51 17729 1 . LYS 52 52 17729 1 . ASP 53 53 17729 1 . THR 54 54 17729 1 . GLU 55 55 17729 1 . GLU 56 56 17729 1 . GLU 57 57 17729 1 stop_ save_ save_LeeH_A _Entity.Sf_category entity _Entity.Sf_framecode LeeH_A _Entity.Entry_ID 17729 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name LeeH_A _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code GCGATAATTGATAGG _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 15 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6703.430 _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 . DG . 17729 2 2 . DC . 17729 2 3 . DG . 17729 2 4 . DA . 17729 2 5 . DT . 17729 2 6 . DA . 17729 2 7 . DA . 17729 2 8 . DT . 17729 2 9 . DT . 17729 2 10 . DG . 17729 2 11 . DA . 17729 2 12 . DT . 17729 2 13 . DA . 17729 2 14 . DG . 17729 2 15 . DG . 17729 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 . DG 1 1 17729 2 . DC 2 2 17729 2 . DG 3 3 17729 2 . DA 4 4 17729 2 . DT 5 5 17729 2 . DA 6 6 17729 2 . DA 7 7 17729 2 . DT 8 8 17729 2 . DT 9 9 17729 2 . DG 10 10 17729 2 . DA 11 11 17729 2 . DT 12 12 17729 2 . DA 13 13 17729 2 . DG 14 14 17729 2 . DG 15 15 17729 2 stop_ save_ save_LeeH_B _Entity.Sf_category entity _Entity.Sf_framecode LeeH_B _Entity.Entry_ID 17729 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name LeeH_B _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID C _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code CCTATCAATTATCGC _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 15 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6703.430 _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 . DC . 17729 3 2 . DC . 17729 3 3 . DT . 17729 3 4 . DA . 17729 3 5 . DT . 17729 3 6 . DC . 17729 3 7 . DA . 17729 3 8 . DA . 17729 3 9 . DT . 17729 3 10 . DT . 17729 3 11 . DA . 17729 3 12 . DT . 17729 3 13 . DC . 17729 3 14 . DG . 17729 3 15 . DC . 17729 3 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 . DC 1 1 17729 3 . DC 2 2 17729 3 . DT 3 3 17729 3 . DA 4 4 17729 3 . DT 5 5 17729 3 . DC 6 6 17729 3 . DA 7 7 17729 3 . DA 8 8 17729 3 . DT 9 9 17729 3 . DT 10 10 17729 3 . DA 11 11 17729 3 . DT 12 12 17729 3 . DC 13 13 17729 3 . DG 14 14 17729 3 . DC 15 15 17729 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 17729 _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 $CT-Ler . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 17729 1 2 2 $LeeH_A . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 17729 1 3 3 $LeeH_B . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 17729 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 17729 _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 $CT-Ler . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . PHAT2 . . . . . . 17729 1 2 2 $LeeH_A . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17729 1 3 3 $LeeH_B . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17729 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17729 _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 CT-Ler '[U-100% 13C; U-100% 15N]' . . 1 $CT-Ler . . 1 . . mM . . . . 17729 1 2 LeeH_A 'natural abundance' . . 2 $LeeH_A . . 2 . . mM . . . . 17729 1 3 LeeH_B 'natural abundance' . . 3 $LeeH_B . . 2 . . mM . . . . 17729 1 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17729 1 5 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 17729 1 6 'sodium azide' 'natural abundance' . . . . . . 0.01 . . %(w/v) . . . . 17729 1 7 EDTA 'natural abundance' . . . . . . 0.2 . . mM . . . . 17729 1 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17729 1 9 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17729 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17729 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20mM Sodium phosphate, 150mM NaCl, 0.2mM EDTA, 0.01% NaN3 (pH 5.7)' _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 CT-Ler '[U-100% 13C; U-100% 15N]' . . 1 $CT-Ler . . 1 . . mM . . . . 17729 2 2 LeeH_A 'natural abundance' . . 2 $LeeH_A . . 2 . . mM . . . . 17729 2 3 LeeH_B 'natural abundance' . . 3 $LeeH_B . . 2 . . mM . . . . 17729 2 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17729 2 5 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 17729 2 6 'sodium azide' 'natural abundance' . . . . . . 0.01 . . %(w/v) . . . . 17729 2 7 EDTA 'natural abundance' . . . . . . 0.2 . . mM . . . . 17729 2 8 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17729 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 17729 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20mM Sodium phosphate, 150mM NaCl, 0.2mM EDTA, 0.01% NaN3 (pH 5.7)' _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 CT-Ler '[U-10% 13C; U-100% 15N]' . . 1 $CT-Ler . . 1 . . mM . . . . 17729 3 2 LeeH_A 'natural abundance' . . 2 $LeeH_A . . 2 . . mM . . . . 17729 3 3 LeeH_B 'natural abundance' . . 3 $LeeH_B . . 2 . . mM . . . . 17729 3 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17729 3 5 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 17729 3 6 'sodium azide' 'natural abundance' . . . . . . 0.01 . . '% (w/v)' . . . . 17729 3 7 EDTA 'natural abundance' . . . . . . 0.2 . . mM . . . . 17729 3 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17729 3 9 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17729 3 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 17729 _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 17729 1 pH 5.7 . pH 17729 1 pressure 1 . atm 17729 1 temperature 298 . K 17729 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17729 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Zhengrong and Bax' . . 17729 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID Processing 17729 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17729 _Software.ID 2 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17729 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'NMR spectra acquisition' 17729 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17729 _Software.ID 3 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17729 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Structure Calculation' 17729 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 17729 _Software.ID 4 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 17729 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Energy water refinement' 17729 4 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 17729 _Software.ID 5 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 17729 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Chemical shift assignment' 17729 5 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 17729 _Software.ID 6 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 17729 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Prediction of Protein Phi and Psi Angles Using a Chemical Shift Database' 17729 6 stop_ save_ save_CRYSOL _Software.Sf_category software _Software.Sf_framecode CRYSOL _Software.Entry_ID 17729 _Software.ID 7 _Software.Name CRYSOL _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Svergun D.I., Barberato C. and Koch M.H.J.' . . 17729 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Fitting to experimental scattering curves' 17729 7 stop_ save_ save_HADDOCK _Software.Sf_category software _Software.Sf_framecode HADDOCK _Software.Entry_ID 17729 _Software.ID 8 _Software.Name HADDOCK _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Alexandre Bonvin' . . 17729 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Data-driven docking using CNS as structure calculation engine' 17729 8 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 17729 _Software.ID 9 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . 17729 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'molecular dynamics refinement' 17729 9 stop_ save_ save_Procheck _Software.Sf_category software _Software.Sf_framecode Procheck _Software.Entry_ID 17729 _Software.ID 10 _Software.Name Procheck _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 17729 10 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Quality assessment' 17729 10 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 17729 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17729 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 17729 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 17729 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 17729 _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 . 600 . . . 17729 1 2 spectrometer_2 Bruker Avance . 700 . . . 17729 1 3 spectrometer_3 Bruker Avance . 800 . . . 17729 1 4 spectrometer_4 Bruker Avance . 900 . . . 17729 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 17729 _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 . . . . . . . . . . . . . . . . . . . . . 17729 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17729 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17729 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17729 1 5 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17729 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17729 1 7 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17729 1 8 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17729 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17729 1 10 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17729 1 11 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17729 1 12 '2D 1H-1H (13C-ed) NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17729 1 13 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17729 1 14 '2D 1H-1H (13C-fil) NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17729 1 15 '2D 1H-1H (15N/13C-fil) NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17729 1 16 '3D 15N/13C-fil/13c-ed- NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17729 1 17 '2D 1H-1H (13C-fil) TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17729 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 17729 _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 . . . . . . . . . 17729 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17729 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17729 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 17729 _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' . . . 17729 1 2 '2D 1H-13C HSQC aliphatic' . . . 17729 1 3 '3D HNCACB' . . . 17729 1 4 '3D CBCA(CO)NH' . . . 17729 1 5 '3D H(CCO)NH' . . . 17729 1 6 '3D HCCH-TOCSY' . . . 17729 1 7 '3D HNHA' . . . 17729 1 8 '3D 1H-15N TOCSY' . . . 17729 1 14 '2D 1H-1H (13C-fil) NOESY' . . . 17729 1 15 '2D 1H-1H (15N/13C-fil) NOESY' . . . 17729 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 SER HA H 1 3.944 0.020 . 1 . . . A -9 SER HA . 17729 1 2 . 1 1 1 1 SER HB2 H 1 3.762 0.020 . 1 . . . A -9 SER HB2 . 17729 1 3 . 1 1 1 1 SER HB3 H 1 3.762 0.020 . 1 . . . A -9 SER HB3 . 17729 1 4 . 1 1 1 1 SER CA C 13 57.174 0.3 . 1 . . . A -9 SER CA . 17729 1 5 . 1 1 1 1 SER CB C 13 63.083 0.3 . 1 . . . A -9 SER CB . 17729 1 6 . 1 1 7 7 HIS H H 1 8.599 0.020 . 1 . . . A -3 HIS H . 17729 1 7 . 1 1 7 7 HIS HA H 1 4.532 0.020 . 1 . . . A -3 HIS HA . 17729 1 8 . 1 1 7 7 HIS HB2 H 1 3.076 0.020 . 1 . . . A -3 HIS HB2 . 17729 1 9 . 1 1 7 7 HIS HB3 H 1 3.076 0.020 . 1 . . . A -3 HIS HB3 . 17729 1 10 . 1 1 7 7 HIS CA C 13 55.523 0.3 . 1 . . . A -3 HIS CA . 17729 1 11 . 1 1 7 7 HIS CB C 13 29.612 0.3 . 1 . . . A -3 HIS CB . 17729 1 12 . 1 1 7 7 HIS N N 15 120.845 0.3 . 1 . . . A -3 HIS N . 17729 1 13 . 1 1 8 8 SER H H 1 8.407 0.020 . 1 . . . A -2 SER H . 17729 1 14 . 1 1 8 8 SER HA H 1 4.295 0.020 . 1 . . . A -2 SER HA . 17729 1 15 . 1 1 8 8 SER HB2 H 1 3.718 0.020 . 1 . . . A -2 SER HB2 . 17729 1 16 . 1 1 8 8 SER HB3 H 1 3.718 0.020 . 1 . . . A -2 SER HB3 . 17729 1 17 . 1 1 8 8 SER CA C 13 58.301 0.3 . 1 . . . A -2 SER CA . 17729 1 18 . 1 1 8 8 SER CB C 13 63.759 0.3 . 1 . . . A -2 SER CB . 17729 1 19 . 1 1 8 8 SER N N 15 117.754 0.3 . 1 . . . A -2 SER N . 17729 1 20 . 1 1 9 9 MET H H 1 8.467 0.020 . 1 . . . A -1 MET H . 17729 1 21 . 1 1 9 9 MET HA H 1 4.371 0.020 . 1 . . . A -1 MET HA . 17729 1 22 . 1 1 9 9 MET HB2 H 1 1.852 0.020 . 2 . . . A -1 MET HB2 . 17729 1 23 . 1 1 9 9 MET HB3 H 1 1.965 0.020 . 2 . . . A -1 MET HB3 . 17729 1 24 . 1 1 9 9 MET HG2 H 1 2.375 0.020 . 2 . . . A -1 MET HG2 . 17729 1 25 . 1 1 9 9 MET HG3 H 1 2.454 0.020 . 2 . . . A -1 MET HG3 . 17729 1 26 . 1 1 9 9 MET HE1 H 1 1.916 0.020 . 1 . . . A -1 MET HE1 . 17729 1 27 . 1 1 9 9 MET HE2 H 1 1.916 0.020 . 1 . . . A -1 MET HE2 . 17729 1 28 . 1 1 9 9 MET HE3 H 1 1.916 0.020 . 1 . . . A -1 MET HE3 . 17729 1 29 . 1 1 9 9 MET CA C 13 55.513 0.3 . 1 . . . A -1 MET CA . 17729 1 30 . 1 1 9 9 MET CB C 13 32.610 0.3 . 1 . . . A -1 MET CB . 17729 1 31 . 1 1 9 9 MET CG C 13 31.933 0.3 . 1 . . . A -1 MET CG . 17729 1 32 . 1 1 9 9 MET CE C 13 16.792 0.3 . 1 . . . A -1 MET CE . 17729 1 33 . 1 1 9 9 MET N N 15 122.201 0.3 . 1 . . . A -1 MET N . 17729 1 34 . 1 1 10 10 GLY H H 1 8.303 0.020 . 1 . . . A 0 GLY H . 17729 1 35 . 1 1 10 10 GLY HA2 H 1 3.809 0.020 . 1 . . . A 0 GLY HA2 . 17729 1 36 . 1 1 10 10 GLY HA3 H 1 3.809 0.020 . 1 . . . A 0 GLY HA3 . 17729 1 37 . 1 1 10 10 GLY CA C 13 45.367 0.3 . 1 . . . A 0 GLY CA . 17729 1 38 . 1 1 10 10 GLY N N 15 109.518 0.3 . 1 . . . A 0 GLY N . 17729 1 39 . 1 1 11 11 ASN H H 1 8.275 0.020 . 1 . . . A 1 ASN H . 17729 1 40 . 1 1 11 11 ASN HA H 1 4.606 0.020 . 1 . . . A 1 ASN HA . 17729 1 41 . 1 1 11 11 ASN HB2 H 1 2.618 0.020 . 2 . . . A 1 ASN HB2 . 17729 1 42 . 1 1 11 11 ASN HB3 H 1 2.692 0.020 . 2 . . . A 1 ASN HB3 . 17729 1 43 . 1 1 11 11 ASN HD21 H 1 7.481 0.020 . 1 . . . A 1 ASN HD21 . 17729 1 44 . 1 1 11 11 ASN HD22 H 1 6.808 0.020 . 1 . . . A 1 ASN HD22 . 17729 1 45 . 1 1 11 11 ASN CA C 13 53.256 0.3 . 1 . . . A 1 ASN CA . 17729 1 46 . 1 1 11 11 ASN CB C 13 38.894 0.3 . 1 . . . A 1 ASN CB . 17729 1 47 . 1 1 11 11 ASN N N 15 118.803 0.3 . 1 . . . A 1 ASN N . 17729 1 48 . 1 1 11 11 ASN ND2 N 15 112.703 0.3 . 1 . . . A 1 ASN ND2 . 17729 1 49 . 1 1 12 12 SER H H 1 8.224 0.020 . 1 . . . A 2 SER H . 17729 1 50 . 1 1 12 12 SER HA H 1 4.310 0.020 . 1 . . . A 2 SER HA . 17729 1 51 . 1 1 12 12 SER HB2 H 1 3.708 0.020 . 1 . . . A 2 SER HB2 . 17729 1 52 . 1 1 12 12 SER HB3 H 1 3.708 0.020 . 1 . . . A 2 SER HB3 . 17729 1 53 . 1 1 12 12 SER CA C 13 58.559 0.3 . 1 . . . A 2 SER CA . 17729 1 54 . 1 1 12 12 SER CB C 13 63.659 0.3 . 1 . . . A 2 SER CB . 17729 1 55 . 1 1 12 12 SER N N 15 115.840 0.3 . 1 . . . A 2 SER N . 17729 1 56 . 1 1 13 13 SER H H 1 8.228 0.020 . 1 . . . A 3 SER H . 17729 1 57 . 1 1 13 13 SER HA H 1 4.304 0.020 . 1 . . . A 3 SER HA . 17729 1 58 . 1 1 13 13 SER HB2 H 1 3.759 0.020 . 1 . . . A 3 SER HB2 . 17729 1 59 . 1 1 13 13 SER HB3 H 1 3.759 0.020 . 1 . . . A 3 SER HB3 . 17729 1 60 . 1 1 13 13 SER CA C 13 58.541 0.3 . 1 . . . A 3 SER CA . 17729 1 61 . 1 1 13 13 SER CB C 13 63.661 0.3 . 1 . . . A 3 SER CB . 17729 1 62 . 1 1 13 13 SER N N 15 117.557 0.3 . 1 . . . A 3 SER N . 17729 1 63 . 1 1 14 14 LYS H H 1 8.192 0.020 . 1 . . . A 4 LYS H . 17729 1 64 . 1 1 14 14 LYS HA H 1 4.181 0.020 . 1 . . . A 4 LYS HA . 17729 1 65 . 1 1 14 14 LYS HB2 H 1 1.635 0.020 . 2 . . . A 4 LYS HB2 . 17729 1 66 . 1 1 14 14 LYS HB3 H 1 1.740 0.020 . 2 . . . A 4 LYS HB3 . 17729 1 67 . 1 1 14 14 LYS HG2 H 1 1.256 0.020 . 2 . . . A 4 LYS HG2 . 17729 1 68 . 1 1 14 14 LYS HG3 H 1 1.321 0.020 . 2 . . . A 4 LYS HG3 . 17729 1 69 . 1 1 14 14 LYS HD2 H 1 1.502 0.020 . 1 . . . A 4 LYS HD2 . 17729 1 70 . 1 1 14 14 LYS HD3 H 1 1.502 0.020 . 1 . . . A 4 LYS HD3 . 17729 1 71 . 1 1 14 14 LYS HE2 H 1 2.803 0.020 . 1 . . . A 4 LYS HE2 . 17729 1 72 . 1 1 14 14 LYS HE3 H 1 2.803 0.020 . 1 . . . A 4 LYS HE3 . 17729 1 73 . 1 1 14 14 LYS CA C 13 56.483 0.3 . 1 . . . A 4 LYS CA . 17729 1 74 . 1 1 14 14 LYS CB C 13 32.782 0.3 . 1 . . . A 4 LYS CB . 17729 1 75 . 1 1 14 14 LYS CG C 13 24.729 0.3 . 1 . . . A 4 LYS CG . 17729 1 76 . 1 1 14 14 LYS CD C 13 28.893 0.3 . 1 . . . A 4 LYS CD . 17729 1 77 . 1 1 14 14 LYS CE C 13 42.036 0.3 . 1 . . . A 4 LYS CE . 17729 1 78 . 1 1 14 14 LYS N N 15 122.301 0.3 . 1 . . . A 4 LYS N . 17729 1 79 . 1 1 15 15 GLY H H 1 8.275 0.020 . 1 . . . A 5 GLY H . 17729 1 80 . 1 1 15 15 GLY HA2 H 1 3.811 0.020 . 1 . . . A 5 GLY HA2 . 17729 1 81 . 1 1 15 15 GLY HA3 H 1 3.811 0.020 . 1 . . . A 5 GLY HA3 . 17729 1 82 . 1 1 15 15 GLY CA C 13 45.543 0.3 . 1 . . . A 5 GLY CA . 17729 1 83 . 1 1 15 15 GLY N N 15 109.122 0.3 . 1 . . . A 5 GLY N . 17729 1 84 . 1 1 16 16 VAL H H 1 7.522 0.020 . 1 . . . A 6 VAL H . 17729 1 85 . 1 1 16 16 VAL HA H 1 4.415 0.020 . 1 . . . A 6 VAL HA . 17729 1 86 . 1 1 16 16 VAL HB H 1 1.732 0.020 . 1 . . . A 6 VAL HB . 17729 1 87 . 1 1 16 16 VAL HG11 H 1 0.630 0.020 . 1 . . . A 6 VAL HG11 . 17729 1 88 . 1 1 16 16 VAL HG12 H 1 0.630 0.020 . 1 . . . A 6 VAL HG12 . 17729 1 89 . 1 1 16 16 VAL HG13 H 1 0.630 0.020 . 1 . . . A 6 VAL HG13 . 17729 1 90 . 1 1 16 16 VAL HG21 H 1 0.605 0.020 . 1 . . . A 6 VAL HG21 . 17729 1 91 . 1 1 16 16 VAL HG22 H 1 0.605 0.020 . 1 . . . A 6 VAL HG22 . 17729 1 92 . 1 1 16 16 VAL HG23 H 1 0.605 0.020 . 1 . . . A 6 VAL HG23 . 17729 1 93 . 1 1 16 16 VAL CA C 13 60.773 0.3 . 1 . . . A 6 VAL CA . 17729 1 94 . 1 1 16 16 VAL CB C 13 33.830 0.3 . 1 . . . A 6 VAL CB . 17729 1 95 . 1 1 16 16 VAL CG1 C 13 21.523 0.3 . 1 . . . A 6 VAL CG1 . 17729 1 96 . 1 1 16 16 VAL CG2 C 13 19.681 0.3 . 1 . . . A 6 VAL CG2 . 17729 1 97 . 1 1 16 16 VAL N N 15 117.135 0.3 . 1 . . . A 6 VAL N . 17729 1 98 . 1 1 17 17 TYR H H 1 7.929 0.020 . 1 . . . A 7 TYR H . 17729 1 99 . 1 1 17 17 TYR HA H 1 4.381 0.020 . 1 . . . A 7 TYR HA . 17729 1 100 . 1 1 17 17 TYR HB2 H 1 2.890 0.020 . 2 . . . A 7 TYR HB2 . 17729 1 101 . 1 1 17 17 TYR HB3 H 1 2.934 0.020 . 2 . . . A 7 TYR HB3 . 17729 1 102 . 1 1 17 17 TYR HD1 H 1 6.802 0.020 . 1 . . . A 7 TYR HD1 . 17729 1 103 . 1 1 17 17 TYR HD2 H 1 6.802 0.020 . 1 . . . A 7 TYR HD2 . 17729 1 104 . 1 1 17 17 TYR HE1 H 1 6.494 0.020 . 1 . . . A 7 TYR HE1 . 17729 1 105 . 1 1 17 17 TYR HE2 H 1 6.494 0.020 . 1 . . . A 7 TYR HE2 . 17729 1 106 . 1 1 17 17 TYR CA C 13 56.492 0.3 . 1 . . . A 7 TYR CA . 17729 1 107 . 1 1 17 17 TYR CB C 13 39.131 0.3 . 1 . . . A 7 TYR CB . 17729 1 108 . 1 1 17 17 TYR N N 15 120.317 0.3 . 1 . . . A 7 TYR N . 17729 1 109 . 1 1 18 18 TYR H H 1 8.646 0.020 . 1 . . . A 8 TYR H . 17729 1 110 . 1 1 18 18 TYR HA H 1 5.326 0.020 . 1 . . . A 8 TYR HA . 17729 1 111 . 1 1 18 18 TYR HB2 H 1 3.039 0.020 . 2 . . . A 8 TYR HB2 . 17729 1 112 . 1 1 18 18 TYR HB3 H 1 3.249 0.020 . 2 . . . A 8 TYR HB3 . 17729 1 113 . 1 1 18 18 TYR HD1 H 1 6.881 0.020 . 1 . . . A 8 TYR HD1 . 17729 1 114 . 1 1 18 18 TYR HD2 H 1 6.881 0.020 . 1 . . . A 8 TYR HD2 . 17729 1 115 . 1 1 18 18 TYR HE1 H 1 6.405 0.020 . 1 . . . A 8 TYR HE1 . 17729 1 116 . 1 1 18 18 TYR HE2 H 1 6.405 0.020 . 1 . . . A 8 TYR HE2 . 17729 1 117 . 1 1 18 18 TYR CA C 13 56.891 0.3 . 1 . . . A 8 TYR CA . 17729 1 118 . 1 1 18 18 TYR CB C 13 41.298 0.3 . 1 . . . A 8 TYR CB . 17729 1 119 . 1 1 18 18 TYR N N 15 117.105 0.3 . 1 . . . A 8 TYR N . 17729 1 120 . 1 1 19 19 ARG H H 1 9.373 0.020 . 1 . . . A 9 ARG H . 17729 1 121 . 1 1 19 19 ARG HA H 1 5.549 0.020 . 1 . . . A 9 ARG HA . 17729 1 122 . 1 1 19 19 ARG HB2 H 1 1.493 0.020 . 2 . . . A 9 ARG HB2 . 17729 1 123 . 1 1 19 19 ARG HB3 H 1 1.628 0.020 . 2 . . . A 9 ARG HB3 . 17729 1 124 . 1 1 19 19 ARG HG2 H 1 1.300 0.020 . 2 . . . A 9 ARG HG2 . 17729 1 125 . 1 1 19 19 ARG HG3 H 1 1.836 0.020 . 2 . . . A 9 ARG HG3 . 17729 1 126 . 1 1 19 19 ARG HD2 H 1 2.981 0.020 . 2 . . . A 9 ARG HD2 . 17729 1 127 . 1 1 19 19 ARG HD3 H 1 3.051 0.020 . 2 . . . A 9 ARG HD3 . 17729 1 128 . 1 1 19 19 ARG HE H 1 7.004 0.020 . 1 . . . A 9 ARG HE . 17729 1 129 . 1 1 19 19 ARG CA C 13 54.797 0.3 . 1 . . . A 9 ARG CA . 17729 1 130 . 1 1 19 19 ARG CB C 13 35.578 0.3 . 1 . . . A 9 ARG CB . 17729 1 131 . 1 1 19 19 ARG CD C 13 44.048 0.3 . 1 . . . A 9 ARG CD . 17729 1 132 . 1 1 19 19 ARG N N 15 122.698 0.3 . 1 . . . A 9 ARG N . 17729 1 133 . 1 1 19 19 ARG NE N 15 84.245 0.3 . 1 . . . A 9 ARG NE . 17729 1 134 . 1 1 20 20 ASN H H 1 7.651 0.020 . 1 . . . A 10 ASN H . 17729 1 135 . 1 1 20 20 ASN HA H 1 4.952 0.020 . 1 . . . A 10 ASN HA . 17729 1 136 . 1 1 20 20 ASN HB2 H 1 1.382 0.020 . 2 . . . A 10 ASN HB2 . 17729 1 137 . 1 1 20 20 ASN HB3 H 1 2.976 0.020 . 2 . . . A 10 ASN HB3 . 17729 1 138 . 1 1 20 20 ASN HD21 H 1 7.414 0.020 . 1 . . . A 10 ASN HD21 . 17729 1 139 . 1 1 20 20 ASN HD22 H 1 6.672 0.020 . 1 . . . A 10 ASN HD22 . 17729 1 140 . 1 1 20 20 ASN CA C 13 49.964 0.3 . 1 . . . A 10 ASN CA . 17729 1 141 . 1 1 20 20 ASN CB C 13 38.555 0.3 . 1 . . . A 10 ASN CB . 17729 1 142 . 1 1 20 20 ASN N N 15 122.244 0.3 . 1 . . . A 10 ASN N . 17729 1 143 . 1 1 20 20 ASN ND2 N 15 111.932 0.3 . 1 . . . A 10 ASN ND2 . 17729 1 144 . 1 1 21 21 GLU H H 1 8.889 0.020 . 1 . . . A 11 GLU H . 17729 1 145 . 1 1 21 21 GLU HA H 1 3.922 0.020 . 1 . . . A 11 GLU HA . 17729 1 146 . 1 1 21 21 GLU HB2 H 1 1.897 0.020 . 2 . . . A 11 GLU HB2 . 17729 1 147 . 1 1 21 21 GLU HB3 H 1 1.944 0.020 . 2 . . . A 11 GLU HB3 . 17729 1 148 . 1 1 21 21 GLU HG2 H 1 2.182 0.020 . 2 . . . A 11 GLU HG2 . 17729 1 149 . 1 1 21 21 GLU HG3 H 1 2.227 0.020 . 2 . . . A 11 GLU HG3 . 17729 1 150 . 1 1 21 21 GLU CA C 13 58.786 0.3 . 1 . . . A 11 GLU CA . 17729 1 151 . 1 1 21 21 GLU CB C 13 28.995 0.3 . 1 . . . A 11 GLU CB . 17729 1 152 . 1 1 21 21 GLU CG C 13 36.175 0.3 . 1 . . . A 11 GLU CG . 17729 1 153 . 1 1 21 21 GLU N N 15 118.795 0.3 . 1 . . . A 11 GLU N . 17729 1 154 . 1 1 22 22 GLU H H 1 7.280 0.020 . 1 . . . A 12 GLU H . 17729 1 155 . 1 1 22 22 GLU HA H 1 4.122 0.020 . 1 . . . A 12 GLU HA . 17729 1 156 . 1 1 22 22 GLU HB2 H 1 1.684 0.020 . 2 . . . A 12 GLU HB2 . 17729 1 157 . 1 1 22 22 GLU HB3 H 1 1.981 0.020 . 2 . . . A 12 GLU HB3 . 17729 1 158 . 1 1 22 22 GLU HG2 H 1 2.046 0.020 . 1 . . . A 12 GLU HG2 . 17729 1 159 . 1 1 22 22 GLU HG3 H 1 2.046 0.020 . 1 . . . A 12 GLU HG3 . 17729 1 160 . 1 1 22 22 GLU CA C 13 56.230 0.3 . 1 . . . A 12 GLU CA . 17729 1 161 . 1 1 22 22 GLU CB C 13 29.389 0.3 . 1 . . . A 12 GLU CB . 17729 1 162 . 1 1 22 22 GLU CG C 13 36.323 0.3 . 1 . . . A 12 GLU CG . 17729 1 163 . 1 1 22 22 GLU N N 15 116.576 0.3 . 1 . . . A 12 GLU N . 17729 1 164 . 1 1 23 23 GLY H H 1 7.732 0.020 . 1 . . . A 13 GLY H . 17729 1 165 . 1 1 23 23 GLY HA2 H 1 3.264 0.020 . 2 . . . A 13 GLY HA2 . 17729 1 166 . 1 1 23 23 GLY HA3 H 1 4.063 0.020 . 2 . . . A 13 GLY HA3 . 17729 1 167 . 1 1 23 23 GLY CA C 13 45.135 0.3 . 1 . . . A 13 GLY CA . 17729 1 168 . 1 1 23 23 GLY N N 15 106.901 0.3 . 1 . . . A 13 GLY N . 17729 1 169 . 1 1 24 24 GLN H H 1 7.737 0.020 . 1 . . . A 14 GLN H . 17729 1 170 . 1 1 24 24 GLN HA H 1 4.126 0.020 . 1 . . . A 14 GLN HA . 17729 1 171 . 1 1 24 24 GLN HB2 H 1 0.769 0.020 . 2 . . . A 14 GLN HB2 . 17729 1 172 . 1 1 24 24 GLN HB3 H 1 1.513 0.020 . 2 . . . A 14 GLN HB3 . 17729 1 173 . 1 1 24 24 GLN HG2 H 1 1.852 0.020 . 2 . . . A 14 GLN HG2 . 17729 1 174 . 1 1 24 24 GLN HG3 H 1 2.043 0.020 . 2 . . . A 14 GLN HG3 . 17729 1 175 . 1 1 24 24 GLN HE21 H 1 6.849 0.020 . 1 . . . A 14 GLN HE21 . 17729 1 176 . 1 1 24 24 GLN HE22 H 1 5.737 0.020 . 1 . . . A 14 GLN HE22 . 17729 1 177 . 1 1 24 24 GLN CA C 13 56.109 0.3 . 1 . . . A 14 GLN CA . 17729 1 178 . 1 1 24 24 GLN CB C 13 28.095 0.3 . 1 . . . A 14 GLN CB . 17729 1 179 . 1 1 24 24 GLN CG C 13 34.657 0.3 . 1 . . . A 14 GLN CG . 17729 1 180 . 1 1 24 24 GLN N N 15 121.137 0.3 . 1 . . . A 14 GLN N . 17729 1 181 . 1 1 24 24 GLN NE2 N 15 110.315 0.3 . 1 . . . A 14 GLN NE2 . 17729 1 182 . 1 1 25 25 THR H H 1 8.351 0.020 . 1 . . . A 15 THR H . 17729 1 183 . 1 1 25 25 THR HA H 1 5.829 0.020 . 1 . . . A 15 THR HA . 17729 1 184 . 1 1 25 25 THR HB H 1 4.245 0.020 . 1 . . . A 15 THR HB . 17729 1 185 . 1 1 25 25 THR HG21 H 1 1.117 0.020 . 1 . . . A 15 THR HG21 . 17729 1 186 . 1 1 25 25 THR HG22 H 1 1.117 0.020 . 1 . . . A 15 THR HG22 . 17729 1 187 . 1 1 25 25 THR HG23 H 1 1.117 0.020 . 1 . . . A 15 THR HG23 . 17729 1 188 . 1 1 25 25 THR CA C 13 60.280 0.3 . 1 . . . A 15 THR CA . 17729 1 189 . 1 1 25 25 THR CB C 13 73.126 0.3 . 1 . . . A 15 THR CB . 17729 1 190 . 1 1 25 25 THR CG2 C 13 21.649 0.3 . 1 . . . A 15 THR CG2 . 17729 1 191 . 1 1 25 25 THR N N 15 109.710 0.3 . 1 . . . A 15 THR N . 17729 1 192 . 1 1 26 26 TRP H H 1 9.480 0.020 . 1 . . . A 16 TRP H . 17729 1 193 . 1 1 26 26 TRP HA H 1 5.275 0.020 . 1 . . . A 16 TRP HA . 17729 1 194 . 1 1 26 26 TRP HB2 H 1 3.071 0.020 . 2 . . . A 16 TRP HB2 . 17729 1 195 . 1 1 26 26 TRP HB3 H 1 3.260 0.020 . 2 . . . A 16 TRP HB3 . 17729 1 196 . 1 1 26 26 TRP HD1 H 1 7.985 0.020 . 1 . . . A 16 TRP HD1 . 17729 1 197 . 1 1 26 26 TRP HE1 H 1 9.324 0.020 . 1 . . . A 16 TRP HE1 . 17729 1 198 . 1 1 26 26 TRP HE3 H 1 6.646 0.020 . 1 . . . A 16 TRP HE3 . 17729 1 199 . 1 1 26 26 TRP HZ2 H 1 7.296 0.020 . 1 . . . A 16 TRP HZ2 . 17729 1 200 . 1 1 26 26 TRP HZ3 H 1 6.012 0.020 . 1 . . . A 16 TRP HZ3 . 17729 1 201 . 1 1 26 26 TRP HH2 H 1 7.077 0.020 . 1 . . . A 16 TRP HH2 . 17729 1 202 . 1 1 26 26 TRP CA C 13 56.638 0.3 . 1 . . . A 16 TRP CA . 17729 1 203 . 1 1 26 26 TRP CB C 13 32.266 0.3 . 1 . . . A 16 TRP CB . 17729 1 204 . 1 1 26 26 TRP N N 15 122.132 0.3 . 1 . . . A 16 TRP N . 17729 1 205 . 1 1 26 26 TRP NE1 N 15 134.402 0.3 . 1 . . . A 16 TRP NE1 . 17729 1 206 . 1 1 27 27 SER H H 1 8.802 0.020 . 1 . . . A 17 SER H . 17729 1 207 . 1 1 27 27 SER HA H 1 4.231 0.020 . 1 . . . A 17 SER HA . 17729 1 208 . 1 1 27 27 SER HB2 H 1 3.793 0.020 . 1 . . . A 17 SER HB2 . 17729 1 209 . 1 1 27 27 SER HB3 H 1 3.793 0.020 . 1 . . . A 17 SER HB3 . 17729 1 210 . 1 1 27 27 SER CA C 13 59.522 0.3 . 1 . . . A 17 SER CA . 17729 1 211 . 1 1 27 27 SER CB C 13 64.161 0.3 . 1 . . . A 17 SER CB . 17729 1 212 . 1 1 27 27 SER N N 15 124.023 0.3 . 1 . . . A 17 SER N . 17729 1 213 . 1 1 28 28 GLY HA2 H 1 0.844 0.020 . 2 . . . A 18 GLY HA2 . 17729 1 214 . 1 1 28 28 GLY HA3 H 1 3.452 0.020 . 2 . . . A 18 GLY HA3 . 17729 1 215 . 1 1 28 28 GLY CA C 13 44.228 0.3 . 1 . . . A 18 GLY CA . 17729 1 216 . 1 1 29 29 VAL H H 1 6.540 0.020 . 1 . . . A 19 VAL H . 17729 1 217 . 1 1 29 29 VAL HA H 1 3.799 0.020 . 1 . . . A 19 VAL HA . 17729 1 218 . 1 1 29 29 VAL HB H 1 1.638 0.020 . 1 . . . A 19 VAL HB . 17729 1 219 . 1 1 29 29 VAL HG11 H 1 0.793 0.020 . 1 . . . A 19 VAL HG11 . 17729 1 220 . 1 1 29 29 VAL HG12 H 1 0.793 0.020 . 1 . . . A 19 VAL HG12 . 17729 1 221 . 1 1 29 29 VAL HG13 H 1 0.793 0.020 . 1 . . . A 19 VAL HG13 . 17729 1 222 . 1 1 29 29 VAL HG21 H 1 0.563 0.020 . 1 . . . A 19 VAL HG21 . 17729 1 223 . 1 1 29 29 VAL HG22 H 1 0.563 0.020 . 1 . . . A 19 VAL HG22 . 17729 1 224 . 1 1 29 29 VAL HG23 H 1 0.563 0.020 . 1 . . . A 19 VAL HG23 . 17729 1 225 . 1 1 29 29 VAL CA C 13 60.724 0.3 . 1 . . . A 19 VAL CA . 17729 1 226 . 1 1 29 29 VAL CB C 13 34.256 0.3 . 1 . . . A 19 VAL CB . 17729 1 227 . 1 1 29 29 VAL CG1 C 13 21.966 0.3 . 1 . . . A 19 VAL CG1 . 17729 1 228 . 1 1 29 29 VAL CG2 C 13 20.702 0.3 . 1 . . . A 19 VAL CG2 . 17729 1 229 . 1 1 29 29 VAL N N 15 117.282 0.3 . 1 . . . A 19 VAL N . 17729 1 230 . 1 1 30 30 GLY H H 1 8.348 0.020 . 1 . . . A 20 GLY H . 17729 1 231 . 1 1 30 30 GLY HA2 H 1 3.742 0.020 . 2 . . . A 20 GLY HA2 . 17729 1 232 . 1 1 30 30 GLY HA3 H 1 4.091 0.020 . 2 . . . A 20 GLY HA3 . 17729 1 233 . 1 1 30 30 GLY CA C 13 44.618 0.3 . 1 . . . A 20 GLY CA . 17729 1 234 . 1 1 30 30 GLY N N 15 111.415 0.3 . 1 . . . A 20 GLY N . 17729 1 235 . 1 1 31 31 ARG H H 1 6.840 0.020 . 1 . . . A 21 ARG H . 17729 1 236 . 1 1 31 31 ARG HA H 1 3.598 0.020 . 1 . . . A 21 ARG HA . 17729 1 237 . 1 1 31 31 ARG HD2 H 1 2.957 0.020 . 2 . . . A 21 ARG HD2 . 17729 1 238 . 1 1 31 31 ARG HD3 H 1 3.285 0.020 . 2 . . . A 21 ARG HD3 . 17729 1 239 . 1 1 31 31 ARG HE H 1 7.311 0.020 . 1 . . . A 21 ARG HE . 17729 1 240 . 1 1 31 31 ARG CA C 13 57.420 0.3 . 1 . . . A 21 ARG CA . 17729 1 241 . 1 1 31 31 ARG CD C 13 44.634 0.3 . 1 . . . A 21 ARG CD . 17729 1 242 . 1 1 31 31 ARG N N 15 118.607 0.3 . 1 . . . A 21 ARG N . 17729 1 243 . 1 1 31 31 ARG NE N 15 85.220 0.3 . 1 . . . A 21 ARG NE . 17729 1 244 . 1 1 32 32 GLN H H 1 6.214 0.020 . 1 . . . A 22 GLN H . 17729 1 245 . 1 1 32 32 GLN HA H 1 2.702 0.020 . 1 . . . A 22 GLN HA . 17729 1 246 . 1 1 32 32 GLN HB2 H 1 0.710 0.020 . 2 . . . A 22 GLN HB2 . 17729 1 247 . 1 1 32 32 GLN HB3 H 1 1.271 0.020 . 2 . . . A 22 GLN HB3 . 17729 1 248 . 1 1 32 32 GLN HG2 H 1 1.075 0.020 . 2 . . . A 22 GLN HG2 . 17729 1 249 . 1 1 32 32 GLN HG3 H 1 1.900 0.020 . 2 . . . A 22 GLN HG3 . 17729 1 250 . 1 1 32 32 GLN HE21 H 1 6.844 0.020 . 1 . . . A 22 GLN HE21 . 17729 1 251 . 1 1 32 32 GLN HE22 H 1 5.971 0.020 . 1 . . . A 22 GLN HE22 . 17729 1 252 . 1 1 32 32 GLN CA C 13 52.780 0.3 . 1 . . . A 22 GLN CA . 17729 1 253 . 1 1 32 32 GLN CB C 13 27.170 0.3 . 1 . . . A 22 GLN CB . 17729 1 254 . 1 1 32 32 GLN CG C 13 34.048 0.3 . 1 . . . A 22 GLN CG . 17729 1 255 . 1 1 32 32 GLN N N 15 119.299 0.3 . 1 . . . A 22 GLN N . 17729 1 256 . 1 1 32 32 GLN NE2 N 15 105.358 0.3 . 1 . . . A 22 GLN NE2 . 17729 1 257 . 1 1 33 33 PRO HA H 1 4.387 0.020 . 1 . . . A 23 PRO HA . 17729 1 258 . 1 1 33 33 PRO HB2 H 1 1.180 0.020 . 2 . . . A 23 PRO HB2 . 17729 1 259 . 1 1 33 33 PRO HB3 H 1 1.963 0.020 . 2 . . . A 23 PRO HB3 . 17729 1 260 . 1 1 33 33 PRO HG2 H 1 0.276 0.020 . 2 . . . A 23 PRO HG2 . 17729 1 261 . 1 1 33 33 PRO HG3 H 1 1.393 0.020 . 2 . . . A 23 PRO HG3 . 17729 1 262 . 1 1 33 33 PRO HD2 H 1 1.393 0.020 . 2 . . . A 23 PRO HD2 . 17729 1 263 . 1 1 33 33 PRO HD3 H 1 1.670 0.020 . 2 . . . A 23 PRO HD3 . 17729 1 264 . 1 1 33 33 PRO CA C 13 60.514 0.3 . 1 . . . A 23 PRO CA . 17729 1 265 . 1 1 33 33 PRO CB C 13 32.182 0.3 . 1 . . . A 23 PRO CB . 17729 1 266 . 1 1 33 33 PRO CG C 13 27.439 0.3 . 1 . . . A 23 PRO CG . 17729 1 267 . 1 1 33 33 PRO CD C 13 47.744 0.3 . 1 . . . A 23 PRO CD . 17729 1 268 . 1 1 34 34 ARG H H 1 9.154 0.020 . 1 . . . A 24 ARG H . 17729 1 269 . 1 1 34 34 ARG HA H 1 3.482 0.020 . 1 . . . A 24 ARG HA . 17729 1 270 . 1 1 34 34 ARG HB2 H 1 1.705 0.020 . 2 . . . A 24 ARG HB2 . 17729 1 271 . 1 1 34 34 ARG HB3 H 1 1.759 0.020 . 2 . . . A 24 ARG HB3 . 17729 1 272 . 1 1 34 34 ARG HG2 H 1 1.434 0.020 . 2 . . . A 24 ARG HG2 . 17729 1 273 . 1 1 34 34 ARG HG3 H 1 1.531 0.020 . 2 . . . A 24 ARG HG3 . 17729 1 274 . 1 1 34 34 ARG HD2 H 1 3.062 0.020 . 1 . . . A 24 ARG HD2 . 17729 1 275 . 1 1 34 34 ARG HD3 H 1 3.062 0.020 . 1 . . . A 24 ARG HD3 . 17729 1 276 . 1 1 34 34 ARG HE H 1 7.284 0.020 . 1 . . . A 24 ARG HE . 17729 1 277 . 1 1 34 34 ARG CA C 13 59.864 0.3 . 1 . . . A 24 ARG CA . 17729 1 278 . 1 1 34 34 ARG CB C 13 29.478 0.3 . 1 . . . A 24 ARG CB . 17729 1 279 . 1 1 34 34 ARG CG C 13 27.146 0.3 . 1 . . . A 24 ARG CG . 17729 1 280 . 1 1 34 34 ARG CD C 13 43.287 0.3 . 1 . . . A 24 ARG CD . 17729 1 281 . 1 1 34 34 ARG N N 15 123.469 0.3 . 1 . . . A 24 ARG N . 17729 1 282 . 1 1 34 34 ARG NE N 15 84.466 0.3 . 1 . . . A 24 ARG NE . 17729 1 283 . 1 1 35 35 TRP H H 1 7.813 0.020 . 1 . . . A 25 TRP H . 17729 1 284 . 1 1 35 35 TRP HA H 1 4.094 0.020 . 1 . . . A 25 TRP HA . 17729 1 285 . 1 1 35 35 TRP HB2 H 1 2.971 0.020 . 2 . . . A 25 TRP HB2 . 17729 1 286 . 1 1 35 35 TRP HB3 H 1 3.088 0.020 . 2 . . . A 25 TRP HB3 . 17729 1 287 . 1 1 35 35 TRP HD1 H 1 7.346 0.020 . 1 . . . A 25 TRP HD1 . 17729 1 288 . 1 1 35 35 TRP HE1 H 1 10.041 0.020 . 1 . . . A 25 TRP HE1 . 17729 1 289 . 1 1 35 35 TRP HE3 H 1 6.630 0.020 . 1 . . . A 25 TRP HE3 . 17729 1 290 . 1 1 35 35 TRP HZ2 H 1 6.838 0.020 . 1 . . . A 25 TRP HZ2 . 17729 1 291 . 1 1 35 35 TRP HZ3 H 1 5.409 0.020 . 1 . . . A 25 TRP HZ3 . 17729 1 292 . 1 1 35 35 TRP HH2 H 1 6.466 0.020 . 1 . . . A 25 TRP HH2 . 17729 1 293 . 1 1 35 35 TRP CA C 13 58.573 0.3 . 1 . . . A 25 TRP CA . 17729 1 294 . 1 1 35 35 TRP CB C 13 27.025 0.3 . 1 . . . A 25 TRP CB . 17729 1 295 . 1 1 35 35 TRP N N 15 113.687 0.3 . 1 . . . A 25 TRP N . 17729 1 296 . 1 1 35 35 TRP NE1 N 15 130.775 0.3 . 1 . . . A 25 TRP NE1 . 17729 1 297 . 1 1 36 36 LEU H H 1 5.622 0.020 . 1 . . . A 26 LEU H . 17729 1 298 . 1 1 36 36 LEU HA H 1 3.284 0.020 . 1 . . . A 26 LEU HA . 17729 1 299 . 1 1 36 36 LEU HB2 H 1 -1.166 0.020 . 2 . . . A 26 LEU HB2 . 17729 1 300 . 1 1 36 36 LEU HB3 H 1 0.301 0.020 . 2 . . . A 26 LEU HB3 . 17729 1 301 . 1 1 36 36 LEU HG H 1 0.698 0.020 . 1 . . . A 26 LEU HG . 17729 1 302 . 1 1 36 36 LEU HD11 H 1 -0.171 0.020 . 1 . . . A 26 LEU HD11 . 17729 1 303 . 1 1 36 36 LEU HD12 H 1 -0.171 0.020 . 1 . . . A 26 LEU HD12 . 17729 1 304 . 1 1 36 36 LEU HD13 H 1 -0.171 0.020 . 1 . . . A 26 LEU HD13 . 17729 1 305 . 1 1 36 36 LEU HD21 H 1 0.190 0.020 . 1 . . . A 26 LEU HD21 . 17729 1 306 . 1 1 36 36 LEU HD22 H 1 0.190 0.020 . 1 . . . A 26 LEU HD22 . 17729 1 307 . 1 1 36 36 LEU HD23 H 1 0.190 0.020 . 1 . . . A 26 LEU HD23 . 17729 1 308 . 1 1 36 36 LEU CA C 13 56.386 0.3 . 1 . . . A 26 LEU CA . 17729 1 309 . 1 1 36 36 LEU CB C 13 40.308 0.3 . 1 . . . A 26 LEU CB . 17729 1 310 . 1 1 36 36 LEU CG C 13 26.194 0.3 . 1 . . . A 26 LEU CG . 17729 1 311 . 1 1 36 36 LEU CD1 C 13 27.546 0.3 . 1 . . . A 26 LEU CD1 . 17729 1 312 . 1 1 36 36 LEU CD2 C 13 23.642 0.3 . 1 . . . A 26 LEU CD2 . 17729 1 313 . 1 1 36 36 LEU N N 15 125.176 0.3 . 1 . . . A 26 LEU N . 17729 1 314 . 1 1 37 37 LYS H H 1 7.264 0.020 . 1 . . . A 27 LYS H . 17729 1 315 . 1 1 37 37 LYS HA H 1 3.466 0.020 . 1 . . . A 27 LYS HA . 17729 1 316 . 1 1 37 37 LYS HB2 H 1 1.467 0.020 . 1 . . . A 27 LYS HB2 . 17729 1 317 . 1 1 37 37 LYS HB3 H 1 1.467 0.020 . 1 . . . A 27 LYS HB3 . 17729 1 318 . 1 1 37 37 LYS HG2 H 1 1.054 0.020 . 2 . . . A 27 LYS HG2 . 17729 1 319 . 1 1 37 37 LYS HG3 H 1 1.128 0.020 . 2 . . . A 27 LYS HG3 . 17729 1 320 . 1 1 37 37 LYS HD2 H 1 1.349 0.020 . 2 . . . A 27 LYS HD2 . 17729 1 321 . 1 1 37 37 LYS HD3 H 1 1.479 0.020 . 2 . . . A 27 LYS HD3 . 17729 1 322 . 1 1 37 37 LYS HE2 H 1 2.708 0.020 . 1 . . . A 27 LYS HE2 . 17729 1 323 . 1 1 37 37 LYS HE3 H 1 2.708 0.020 . 1 . . . A 27 LYS HE3 . 17729 1 324 . 1 1 37 37 LYS CA C 13 59.677 0.3 . 1 . . . A 27 LYS CA . 17729 1 325 . 1 1 37 37 LYS CB C 13 31.577 0.3 . 1 . . . A 27 LYS CB . 17729 1 326 . 1 1 37 37 LYS CG C 13 24.089 0.3 . 1 . . . A 27 LYS CG . 17729 1 327 . 1 1 37 37 LYS CD C 13 28.516 0.3 . 1 . . . A 27 LYS CD . 17729 1 328 . 1 1 37 37 LYS CE C 13 41.498 0.3 . 1 . . . A 27 LYS CE . 17729 1 329 . 1 1 37 37 LYS N N 15 119.347 0.3 . 1 . . . A 27 LYS N . 17729 1 330 . 1 1 38 38 GLU H H 1 8.355 0.020 . 1 . . . A 28 GLU H . 17729 1 331 . 1 1 38 38 GLU HA H 1 3.738 0.020 . 1 . . . A 28 GLU HA . 17729 1 332 . 1 1 38 38 GLU HB2 H 1 1.832 0.020 . 1 . . . A 28 GLU HB2 . 17729 1 333 . 1 1 38 38 GLU HB3 H 1 1.832 0.020 . 1 . . . A 28 GLU HB3 . 17729 1 334 . 1 1 38 38 GLU HG2 H 1 2.064 0.020 . 2 . . . A 28 GLU HG2 . 17729 1 335 . 1 1 38 38 GLU HG3 H 1 2.234 0.020 . 2 . . . A 28 GLU HG3 . 17729 1 336 . 1 1 38 38 GLU CA C 13 59.145 0.3 . 1 . . . A 28 GLU CA . 17729 1 337 . 1 1 38 38 GLU CB C 13 29.180 0.3 . 1 . . . A 28 GLU CB . 17729 1 338 . 1 1 38 38 GLU CG C 13 36.658 0.3 . 1 . . . A 28 GLU CG . 17729 1 339 . 1 1 38 38 GLU N N 15 116.166 0.3 . 1 . . . A 28 GLU N . 17729 1 340 . 1 1 39 39 ALA H H 1 7.220 0.020 . 1 . . . A 29 ALA H . 17729 1 341 . 1 1 39 39 ALA HA H 1 4.187 0.020 . 1 . . . A 29 ALA HA . 17729 1 342 . 1 1 39 39 ALA HB1 H 1 1.640 0.020 . 1 . . . A 29 ALA HB1 . 17729 1 343 . 1 1 39 39 ALA HB2 H 1 1.640 0.020 . 1 . . . A 29 ALA HB2 . 17729 1 344 . 1 1 39 39 ALA HB3 H 1 1.640 0.020 . 1 . . . A 29 ALA HB3 . 17729 1 345 . 1 1 39 39 ALA CA C 13 55.364 0.3 . 1 . . . A 29 ALA CA . 17729 1 346 . 1 1 39 39 ALA CB C 13 18.505 0.3 . 1 . . . A 29 ALA CB . 17729 1 347 . 1 1 39 39 ALA N N 15 122.540 0.3 . 1 . . . A 29 ALA N . 17729 1 348 . 1 1 40 40 LEU H H 1 8.143 0.020 . 1 . . . A 30 LEU H . 17729 1 349 . 1 1 40 40 LEU HA H 1 4.217 0.020 . 1 . . . A 30 LEU HA . 17729 1 350 . 1 1 40 40 LEU HB2 H 1 1.429 0.020 . 2 . . . A 30 LEU HB2 . 17729 1 351 . 1 1 40 40 LEU HB3 H 1 1.615 0.020 . 2 . . . A 30 LEU HB3 . 17729 1 352 . 1 1 40 40 LEU HG H 1 1.755 0.020 . 1 . . . A 30 LEU HG . 17729 1 353 . 1 1 40 40 LEU HD11 H 1 0.603 0.020 . 1 . . . A 30 LEU HD11 . 17729 1 354 . 1 1 40 40 LEU HD12 H 1 0.603 0.020 . 1 . . . A 30 LEU HD12 . 17729 1 355 . 1 1 40 40 LEU HD13 H 1 0.603 0.020 . 1 . . . A 30 LEU HD13 . 17729 1 356 . 1 1 40 40 LEU HD21 H 1 0.547 0.020 . 1 . . . A 30 LEU HD21 . 17729 1 357 . 1 1 40 40 LEU HD22 H 1 0.547 0.020 . 1 . . . A 30 LEU HD22 . 17729 1 358 . 1 1 40 40 LEU HD23 H 1 0.547 0.020 . 1 . . . A 30 LEU HD23 . 17729 1 359 . 1 1 40 40 LEU CA C 13 57.252 0.3 . 1 . . . A 30 LEU CA . 17729 1 360 . 1 1 40 40 LEU CB C 13 40.193 0.3 . 1 . . . A 30 LEU CB . 17729 1 361 . 1 1 40 40 LEU CG C 13 27.231 0.3 . 1 . . . A 30 LEU CG . 17729 1 362 . 1 1 40 40 LEU CD1 C 13 23.143 0.3 . 1 . . . A 30 LEU CD1 . 17729 1 363 . 1 1 40 40 LEU CD2 C 13 24.633 0.3 . 1 . . . A 30 LEU CD2 . 17729 1 364 . 1 1 40 40 LEU N N 15 119.110 0.3 . 1 . . . A 30 LEU N . 17729 1 365 . 1 1 41 41 LEU H H 1 7.754 0.020 . 1 . . . A 31 LEU H . 17729 1 366 . 1 1 41 41 LEU HA H 1 4.042 0.020 . 1 . . . A 31 LEU HA . 17729 1 367 . 1 1 41 41 LEU HB2 H 1 1.482 0.020 . 2 . . . A 31 LEU HB2 . 17729 1 368 . 1 1 41 41 LEU HB3 H 1 1.724 0.020 . 2 . . . A 31 LEU HB3 . 17729 1 369 . 1 1 41 41 LEU HG H 1 1.610 0.020 . 1 . . . A 31 LEU HG . 17729 1 370 . 1 1 41 41 LEU HD11 H 1 0.736 0.020 . 1 . . . A 31 LEU HD11 . 17729 1 371 . 1 1 41 41 LEU HD12 H 1 0.736 0.020 . 1 . . . A 31 LEU HD12 . 17729 1 372 . 1 1 41 41 LEU HD13 H 1 0.736 0.020 . 1 . . . A 31 LEU HD13 . 17729 1 373 . 1 1 41 41 LEU HD21 H 1 0.724 0.020 . 1 . . . A 31 LEU HD21 . 17729 1 374 . 1 1 41 41 LEU HD22 H 1 0.724 0.020 . 1 . . . A 31 LEU HD22 . 17729 1 375 . 1 1 41 41 LEU HD23 H 1 0.724 0.020 . 1 . . . A 31 LEU HD23 . 17729 1 376 . 1 1 41 41 LEU CA C 13 57.247 0.3 . 1 . . . A 31 LEU CA . 17729 1 377 . 1 1 41 41 LEU CB C 13 41.660 0.3 . 1 . . . A 31 LEU CB . 17729 1 378 . 1 1 41 41 LEU CG C 13 26.599 0.3 . 1 . . . A 31 LEU CG . 17729 1 379 . 1 1 41 41 LEU CD1 C 13 23.252 0.3 . 1 . . . A 31 LEU CD1 . 17729 1 380 . 1 1 41 41 LEU CD2 C 13 24.921 0.3 . 1 . . . A 31 LEU CD2 . 17729 1 381 . 1 1 41 41 LEU N N 15 121.655 0.3 . 1 . . . A 31 LEU N . 17729 1 382 . 1 1 42 42 ASN H H 1 7.475 0.020 . 1 . . . A 32 ASN H . 17729 1 383 . 1 1 42 42 ASN HA H 1 4.746 0.020 . 1 . . . A 32 ASN HA . 17729 1 384 . 1 1 42 42 ASN HB2 H 1 2.694 0.020 . 2 . . . A 32 ASN HB2 . 17729 1 385 . 1 1 42 42 ASN HB3 H 1 2.969 0.020 . 2 . . . A 32 ASN HB3 . 17729 1 386 . 1 1 42 42 ASN HD21 H 1 7.444 0.020 . 1 . . . A 32 ASN HD21 . 17729 1 387 . 1 1 42 42 ASN HD22 H 1 6.833 0.020 . 1 . . . A 32 ASN HD22 . 17729 1 388 . 1 1 42 42 ASN CA C 13 53.052 0.3 . 1 . . . A 32 ASN CA . 17729 1 389 . 1 1 42 42 ASN CB C 13 39.237 0.3 . 1 . . . A 32 ASN CB . 17729 1 390 . 1 1 42 42 ASN N N 15 116.379 0.3 . 1 . . . A 32 ASN N . 17729 1 391 . 1 1 42 42 ASN ND2 N 15 113.237 0.3 . 1 . . . A 32 ASN ND2 . 17729 1 392 . 1 1 43 43 GLY H H 1 7.674 0.020 . 1 . . . A 33 GLY H . 17729 1 393 . 1 1 43 43 GLY HA2 H 1 3.662 0.020 . 2 . . . A 33 GLY HA2 . 17729 1 394 . 1 1 43 43 GLY HA3 H 1 4.210 0.020 . 2 . . . A 33 GLY HA3 . 17729 1 395 . 1 1 43 43 GLY CA C 13 45.811 0.3 . 1 . . . A 33 GLY CA . 17729 1 396 . 1 1 43 43 GLY N N 15 106.130 0.3 . 1 . . . A 33 GLY N . 17729 1 397 . 1 1 44 44 MET H H 1 7.731 0.020 . 1 . . . A 34 MET H . 17729 1 398 . 1 1 44 44 MET HA H 1 4.527 0.020 . 1 . . . A 34 MET HA . 17729 1 399 . 1 1 44 44 MET HB2 H 1 1.626 0.020 . 2 . . . A 34 MET HB2 . 17729 1 400 . 1 1 44 44 MET HB3 H 1 2.362 0.020 . 2 . . . A 34 MET HB3 . 17729 1 401 . 1 1 44 44 MET HG2 H 1 2.463 0.020 . 2 . . . A 34 MET HG2 . 17729 1 402 . 1 1 44 44 MET HG3 H 1 2.637 0.020 . 2 . . . A 34 MET HG3 . 17729 1 403 . 1 1 44 44 MET HE1 H 1 1.919 0.020 . 1 . . . A 34 MET HE1 . 17729 1 404 . 1 1 44 44 MET HE2 H 1 1.919 0.020 . 1 . . . A 34 MET HE2 . 17729 1 405 . 1 1 44 44 MET HE3 H 1 1.919 0.020 . 1 . . . A 34 MET HE3 . 17729 1 406 . 1 1 44 44 MET CA C 13 55.077 0.3 . 1 . . . A 34 MET CA . 17729 1 407 . 1 1 44 44 MET CB C 13 32.646 0.3 . 1 . . . A 34 MET CB . 17729 1 408 . 1 1 44 44 MET CG C 13 33.092 0.3 . 1 . . . A 34 MET CG . 17729 1 409 . 1 1 44 44 MET CE C 13 17.348 0.3 . 1 . . . A 34 MET CE . 17729 1 410 . 1 1 44 44 MET N N 15 118.621 0.3 . 1 . . . A 34 MET N . 17729 1 411 . 1 1 45 45 LYS H H 1 8.594 0.020 . 1 . . . A 35 LYS H . 17729 1 412 . 1 1 45 45 LYS HA H 1 4.673 0.020 . 1 . . . A 35 LYS HA . 17729 1 413 . 1 1 45 45 LYS HB2 H 1 1.568 0.020 . 2 . . . A 35 LYS HB2 . 17729 1 414 . 1 1 45 45 LYS HB3 H 1 1.904 0.020 . 2 . . . A 35 LYS HB3 . 17729 1 415 . 1 1 45 45 LYS HG2 H 1 1.306 0.020 . 2 . . . A 35 LYS HG2 . 17729 1 416 . 1 1 45 45 LYS HG3 H 1 1.364 0.020 . 2 . . . A 35 LYS HG3 . 17729 1 417 . 1 1 45 45 LYS HD2 H 1 1.575 0.020 . 1 . . . A 35 LYS HD2 . 17729 1 418 . 1 1 45 45 LYS HD3 H 1 1.575 0.020 . 1 . . . A 35 LYS HD3 . 17729 1 419 . 1 1 45 45 LYS HE2 H 1 2.850 0.020 . 2 . . . A 35 LYS HE2 . 17729 1 420 . 1 1 45 45 LYS HE3 H 1 2.899 0.020 . 2 . . . A 35 LYS HE3 . 17729 1 421 . 1 1 45 45 LYS CA C 13 54.117 0.3 . 1 . . . A 35 LYS CA . 17729 1 422 . 1 1 45 45 LYS CB C 13 34.837 0.3 . 1 . . . A 35 LYS CB . 17729 1 423 . 1 1 45 45 LYS CG C 13 24.476 0.3 . 1 . . . A 35 LYS CG . 17729 1 424 . 1 1 45 45 LYS CD C 13 28.781 0.3 . 1 . . . A 35 LYS CD . 17729 1 425 . 1 1 45 45 LYS CE C 13 42.115 0.3 . 1 . . . A 35 LYS CE . 17729 1 426 . 1 1 45 45 LYS N N 15 117.415 0.3 . 1 . . . A 35 LYS N . 17729 1 427 . 1 1 46 46 LYS H H 1 9.050 0.020 . 1 . . . A 36 LYS H . 17729 1 428 . 1 1 46 46 LYS HA H 1 3.816 0.020 . 1 . . . A 36 LYS HA . 17729 1 429 . 1 1 46 46 LYS HB2 H 1 1.719 0.020 . 2 . . . A 36 LYS HB2 . 17729 1 430 . 1 1 46 46 LYS HB3 H 1 1.750 0.020 . 2 . . . A 36 LYS HB3 . 17729 1 431 . 1 1 46 46 LYS HG2 H 1 1.200 0.020 . 2 . . . A 36 LYS HG2 . 17729 1 432 . 1 1 46 46 LYS HG3 H 1 1.348 0.020 . 2 . . . A 36 LYS HG3 . 17729 1 433 . 1 1 46 46 LYS HD2 H 1 1.492 0.020 . 2 . . . A 36 LYS HD2 . 17729 1 434 . 1 1 46 46 LYS HD3 H 1 1.532 0.020 . 2 . . . A 36 LYS HD3 . 17729 1 435 . 1 1 46 46 LYS HE2 H 1 2.680 0.020 . 2 . . . A 36 LYS HE2 . 17729 1 436 . 1 1 46 46 LYS HE3 H 1 2.775 0.020 . 2 . . . A 36 LYS HE3 . 17729 1 437 . 1 1 46 46 LYS CA C 13 61.319 0.3 . 1 . . . A 36 LYS CA . 17729 1 438 . 1 1 46 46 LYS CB C 13 32.233 0.3 . 1 . . . A 36 LYS CB . 17729 1 439 . 1 1 46 46 LYS CG C 13 26.369 0.3 . 1 . . . A 36 LYS CG . 17729 1 440 . 1 1 46 46 LYS CD C 13 30.035 0.3 . 1 . . . A 36 LYS CD . 17729 1 441 . 1 1 46 46 LYS CE C 13 41.428 0.3 . 1 . . . A 36 LYS CE . 17729 1 442 . 1 1 46 46 LYS N N 15 122.938 0.3 . 1 . . . A 36 LYS N . 17729 1 443 . 1 1 47 47 GLU H H 1 9.129 0.020 . 1 . . . A 37 GLU H . 17729 1 444 . 1 1 47 47 GLU HA H 1 4.049 0.020 . 1 . . . A 37 GLU HA . 17729 1 445 . 1 1 47 47 GLU HB2 H 1 1.945 0.020 . 2 . . . A 37 GLU HB2 . 17729 1 446 . 1 1 47 47 GLU HB3 H 1 1.999 0.020 . 2 . . . A 37 GLU HB3 . 17729 1 447 . 1 1 47 47 GLU HG2 H 1 2.215 0.020 . 2 . . . A 37 GLU HG2 . 17729 1 448 . 1 1 47 47 GLU HG3 H 1 2.338 0.020 . 2 . . . A 37 GLU HG3 . 17729 1 449 . 1 1 47 47 GLU CA C 13 59.738 0.3 . 1 . . . A 37 GLU CA . 17729 1 450 . 1 1 47 47 GLU CB C 13 28.530 0.3 . 1 . . . A 37 GLU CB . 17729 1 451 . 1 1 47 47 GLU CG C 13 36.910 0.3 . 1 . . . A 37 GLU CG . 17729 1 452 . 1 1 47 47 GLU N N 15 114.163 0.3 . 1 . . . A 37 GLU N . 17729 1 453 . 1 1 48 48 ASP H H 1 7.829 0.020 . 1 . . . A 38 ASP H . 17729 1 454 . 1 1 48 48 ASP HA H 1 4.202 0.020 . 1 . . . A 38 ASP HA . 17729 1 455 . 1 1 48 48 ASP HB2 H 1 2.067 0.020 . 2 . . . A 38 ASP HB2 . 17729 1 456 . 1 1 48 48 ASP HB3 H 1 2.412 0.020 . 2 . . . A 38 ASP HB3 . 17729 1 457 . 1 1 48 48 ASP CA C 13 56.900 0.3 . 1 . . . A 38 ASP CA . 17729 1 458 . 1 1 48 48 ASP CB C 13 40.180 0.3 . 1 . . . A 38 ASP CB . 17729 1 459 . 1 1 48 48 ASP N N 15 119.868 0.3 . 1 . . . A 38 ASP N . 17729 1 460 . 1 1 49 49 PHE H H 1 7.909 0.020 . 1 . . . A 39 PHE H . 17729 1 461 . 1 1 49 49 PHE HA H 1 4.745 0.020 . 1 . . . A 39 PHE HA . 17729 1 462 . 1 1 49 49 PHE HB2 H 1 3.079 0.020 . 2 . . . A 39 PHE HB2 . 17729 1 463 . 1 1 49 49 PHE HB3 H 1 3.954 0.020 . 2 . . . A 39 PHE HB3 . 17729 1 464 . 1 1 49 49 PHE HD1 H 1 7.424 0.020 . 3 . . . A 39 PHE HD1 . 17729 1 465 . 1 1 49 49 PHE HD2 H 1 7.442 0.020 . 3 . . . A 39 PHE HD2 . 17729 1 466 . 1 1 49 49 PHE HE1 H 1 7.200 0.020 . 1 . . . A 39 PHE HE1 . 17729 1 467 . 1 1 49 49 PHE HE2 H 1 7.200 0.020 . 1 . . . A 39 PHE HE2 . 17729 1 468 . 1 1 49 49 PHE HZ H 1 7.066 0.020 . 1 . . . A 39 PHE HZ . 17729 1 469 . 1 1 49 49 PHE CA C 13 57.464 0.3 . 1 . . . A 39 PHE CA . 17729 1 470 . 1 1 49 49 PHE CB C 13 40.396 0.3 . 1 . . . A 39 PHE CB . 17729 1 471 . 1 1 49 49 PHE N N 15 116.115 0.3 . 1 . . . A 39 PHE N . 17729 1 472 . 1 1 50 50 LEU H H 1 6.974 0.020 . 1 . . . A 40 LEU H . 17729 1 473 . 1 1 50 50 LEU HA H 1 3.896 0.020 . 1 . . . A 40 LEU HA . 17729 1 474 . 1 1 50 50 LEU HB2 H 1 1.404 0.020 . 2 . . . A 40 LEU HB2 . 17729 1 475 . 1 1 50 50 LEU HB3 H 1 1.515 0.020 . 2 . . . A 40 LEU HB3 . 17729 1 476 . 1 1 50 50 LEU HG H 1 1.198 0.020 . 1 . . . A 40 LEU HG . 17729 1 477 . 1 1 50 50 LEU HD11 H 1 0.520 0.020 . 1 . . . A 40 LEU HD11 . 17729 1 478 . 1 1 50 50 LEU HD12 H 1 0.520 0.020 . 1 . . . A 40 LEU HD12 . 17729 1 479 . 1 1 50 50 LEU HD13 H 1 0.520 0.020 . 1 . . . A 40 LEU HD13 . 17729 1 480 . 1 1 50 50 LEU HD21 H 1 0.544 0.020 . 1 . . . A 40 LEU HD21 . 17729 1 481 . 1 1 50 50 LEU HD22 H 1 0.544 0.020 . 1 . . . A 40 LEU HD22 . 17729 1 482 . 1 1 50 50 LEU HD23 H 1 0.544 0.020 . 1 . . . A 40 LEU HD23 . 17729 1 483 . 1 1 50 50 LEU CA C 13 56.197 0.3 . 1 . . . A 40 LEU CA . 17729 1 484 . 1 1 50 50 LEU CB C 13 43.590 0.3 . 1 . . . A 40 LEU CB . 17729 1 485 . 1 1 50 50 LEU CG C 13 26.979 0.3 . 1 . . . A 40 LEU CG . 17729 1 486 . 1 1 50 50 LEU CD1 C 13 25.045 0.3 . 1 . . . A 40 LEU CD1 . 17729 1 487 . 1 1 50 50 LEU CD2 C 13 24.544 0.3 . 1 . . . A 40 LEU CD2 . 17729 1 488 . 1 1 50 50 LEU N N 15 122.224 0.3 . 1 . . . A 40 LEU N . 17729 1 489 . 1 1 51 51 VAL H H 1 8.648 0.020 . 1 . . . A 41 VAL H . 17729 1 490 . 1 1 51 51 VAL HA H 1 3.862 0.020 . 1 . . . A 41 VAL HA . 17729 1 491 . 1 1 51 51 VAL HB H 1 1.136 0.020 . 1 . . . A 41 VAL HB . 17729 1 492 . 1 1 51 51 VAL HG11 H 1 0.577 0.020 . 1 . . . A 41 VAL HG11 . 17729 1 493 . 1 1 51 51 VAL HG12 H 1 0.577 0.020 . 1 . . . A 41 VAL HG12 . 17729 1 494 . 1 1 51 51 VAL HG13 H 1 0.577 0.020 . 1 . . . A 41 VAL HG13 . 17729 1 495 . 1 1 51 51 VAL HG21 H 1 0.416 0.020 . 1 . . . A 41 VAL HG21 . 17729 1 496 . 1 1 51 51 VAL HG22 H 1 0.416 0.020 . 1 . . . A 41 VAL HG22 . 17729 1 497 . 1 1 51 51 VAL HG23 H 1 0.416 0.020 . 1 . . . A 41 VAL HG23 . 17729 1 498 . 1 1 51 51 VAL CA C 13 61.739 0.3 . 1 . . . A 41 VAL CA . 17729 1 499 . 1 1 51 51 VAL CB C 13 33.333 0.3 . 1 . . . A 41 VAL CB . 17729 1 500 . 1 1 51 51 VAL CG1 C 13 21.500 0.3 . 1 . . . A 41 VAL CG1 . 17729 1 501 . 1 1 51 51 VAL CG2 C 13 21.313 0.3 . 1 . . . A 41 VAL CG2 . 17729 1 502 . 1 1 51 51 VAL N N 15 127.077 0.3 . 1 . . . A 41 VAL N . 17729 1 503 . 1 1 52 52 LYS H H 1 8.077 0.020 . 1 . . . A 42 LYS H . 17729 1 504 . 1 1 52 52 LYS HA H 1 4.387 0.020 . 1 . . . A 42 LYS HA . 17729 1 505 . 1 1 52 52 LYS HB2 H 1 1.489 0.020 . 2 . . . A 42 LYS HB2 . 17729 1 506 . 1 1 52 52 LYS HB3 H 1 1.633 0.020 . 2 . . . A 42 LYS HB3 . 17729 1 507 . 1 1 52 52 LYS HG2 H 1 1.200 0.020 . 1 . . . A 42 LYS HG2 . 17729 1 508 . 1 1 52 52 LYS HG3 H 1 1.200 0.020 . 1 . . . A 42 LYS HG3 . 17729 1 509 . 1 1 52 52 LYS HD2 H 1 1.482 0.020 . 1 . . . A 42 LYS HD2 . 17729 1 510 . 1 1 52 52 LYS HD3 H 1 1.482 0.020 . 1 . . . A 42 LYS HD3 . 17729 1 511 . 1 1 52 52 LYS HE2 H 1 2.798 0.020 . 1 . . . A 42 LYS HE2 . 17729 1 512 . 1 1 52 52 LYS HE3 H 1 2.798 0.020 . 1 . . . A 42 LYS HE3 . 17729 1 513 . 1 1 52 52 LYS CA C 13 55.341 0.3 . 1 . . . A 42 LYS CA . 17729 1 514 . 1 1 52 52 LYS CB C 13 33.813 0.3 . 1 . . . A 42 LYS CB . 17729 1 515 . 1 1 52 52 LYS CG C 13 24.654 0.3 . 1 . . . A 42 LYS CG . 17729 1 516 . 1 1 52 52 LYS CD C 13 29.161 0.3 . 1 . . . A 42 LYS CD . 17729 1 517 . 1 1 52 52 LYS CE C 13 42.007 0.3 . 1 . . . A 42 LYS CE . 17729 1 518 . 1 1 52 52 LYS N N 15 123.896 0.3 . 1 . . . A 42 LYS N . 17729 1 519 . 1 1 53 53 ASP H H 1 8.332 0.020 . 1 . . . A 43 ASP H . 17729 1 520 . 1 1 53 53 ASP HA H 1 4.534 0.020 . 1 . . . A 43 ASP HA . 17729 1 521 . 1 1 53 53 ASP HB2 H 1 2.446 0.020 . 2 . . . A 43 ASP HB2 . 17729 1 522 . 1 1 53 53 ASP HB3 H 1 2.588 0.020 . 2 . . . A 43 ASP HB3 . 17729 1 523 . 1 1 53 53 ASP CA C 13 54.327 0.3 . 1 . . . A 43 ASP CA . 17729 1 524 . 1 1 53 53 ASP CB C 13 41.138 0.3 . 1 . . . A 43 ASP CB . 17729 1 525 . 1 1 53 53 ASP N N 15 122.944 0.3 . 1 . . . A 43 ASP N . 17729 1 526 . 1 1 54 54 THR H H 1 7.950 0.020 . 1 . . . A 44 THR H . 17729 1 527 . 1 1 54 54 THR HA H 1 4.184 0.020 . 1 . . . A 44 THR HA . 17729 1 528 . 1 1 54 54 THR HB H 1 4.092 0.020 . 1 . . . A 44 THR HB . 17729 1 529 . 1 1 54 54 THR HG21 H 1 1.034 0.020 . 1 . . . A 44 THR HG21 . 17729 1 530 . 1 1 54 54 THR HG22 H 1 1.034 0.020 . 1 . . . A 44 THR HG22 . 17729 1 531 . 1 1 54 54 THR HG23 H 1 1.034 0.020 . 1 . . . A 44 THR HG23 . 17729 1 532 . 1 1 54 54 THR CA C 13 61.564 0.3 . 1 . . . A 44 THR CA . 17729 1 533 . 1 1 54 54 THR CB C 13 69.719 0.3 . 1 . . . A 44 THR CB . 17729 1 534 . 1 1 54 54 THR CG2 C 13 21.570 0.3 . 1 . . . A 44 THR CG2 . 17729 1 535 . 1 1 54 54 THR N N 15 113.734 0.3 . 1 . . . A 44 THR N . 17729 1 536 . 1 1 55 55 GLU H H 1 8.289 0.020 . 1 . . . A 45 GLU H . 17729 1 537 . 1 1 55 55 GLU HA H 1 4.163 0.020 . 1 . . . A 45 GLU HA . 17729 1 538 . 1 1 55 55 GLU HB2 H 1 1.787 0.020 . 2 . . . A 45 GLU HB2 . 17729 1 539 . 1 1 55 55 GLU HB3 H 1 1.927 0.020 . 2 . . . A 45 GLU HB3 . 17729 1 540 . 1 1 55 55 GLU HG2 H 1 2.094 0.020 . 2 . . . A 45 GLU HG2 . 17729 1 541 . 1 1 55 55 GLU HG3 H 1 2.127 0.020 . 2 . . . A 45 GLU HG3 . 17729 1 542 . 1 1 55 55 GLU CA C 13 56.427 0.3 . 1 . . . A 45 GLU CA . 17729 1 543 . 1 1 55 55 GLU CB C 13 30.177 0.3 . 1 . . . A 45 GLU CB . 17729 1 544 . 1 1 55 55 GLU CG C 13 36.097 0.3 . 1 . . . A 45 GLU CG . 17729 1 545 . 1 1 55 55 GLU N N 15 122.650 0.3 . 1 . . . A 45 GLU N . 17729 1 546 . 1 1 56 56 GLU H H 1 8.192 0.020 . 1 . . . A 46 GLU H . 17729 1 547 . 1 1 56 56 GLU HA H 1 4.145 0.020 . 1 . . . A 46 GLU HA . 17729 1 548 . 1 1 56 56 GLU HB2 H 1 1.753 0.020 . 2 . . . A 46 GLU HB2 . 17729 1 549 . 1 1 56 56 GLU HB3 H 1 1.921 0.020 . 2 . . . A 46 GLU HB3 . 17729 1 550 . 1 1 56 56 GLU HG2 H 1 2.119 0.020 . 1 . . . A 46 GLU HG2 . 17729 1 551 . 1 1 56 56 GLU HG3 H 1 2.119 0.020 . 1 . . . A 46 GLU HG3 . 17729 1 552 . 1 1 56 56 GLU CA C 13 56.355 0.3 . 1 . . . A 46 GLU CA . 17729 1 553 . 1 1 56 56 GLU CB C 13 30.442 0.3 . 1 . . . A 46 GLU CB . 17729 1 554 . 1 1 56 56 GLU CG C 13 36.070 0.3 . 1 . . . A 46 GLU CG . 17729 1 555 . 1 1 56 56 GLU N N 15 121.892 0.3 . 1 . . . A 46 GLU N . 17729 1 556 . 1 1 57 57 GLU H H 1 7.892 0.020 . 1 . . . A 47 GLU H . 17729 1 557 . 1 1 57 57 GLU HA H 1 3.942 0.020 . 1 . . . A 47 GLU HA . 17729 1 558 . 1 1 57 57 GLU HB2 H 1 1.726 0.020 . 2 . . . A 47 GLU HB2 . 17729 1 559 . 1 1 57 57 GLU HB3 H 1 1.873 0.020 . 2 . . . A 47 GLU HB3 . 17729 1 560 . 1 1 57 57 GLU HG2 H 1 2.056 0.020 . 1 . . . A 47 GLU HG2 . 17729 1 561 . 1 1 57 57 GLU HG3 H 1 2.056 0.020 . 1 . . . A 47 GLU HG3 . 17729 1 562 . 1 1 57 57 GLU CA C 13 57.980 0.3 . 1 . . . A 47 GLU CA . 17729 1 563 . 1 1 57 57 GLU CB C 13 30.998 0.3 . 1 . . . A 47 GLU CB . 17729 1 564 . 1 1 57 57 GLU CG C 13 36.363 0.3 . 1 . . . A 47 GLU CG . 17729 1 565 . 1 1 57 57 GLU N N 15 126.940 0.3 . 1 . . . A 47 GLU N . 17729 1 566 . 2 2 1 1 DG H1' H 1 5.809 0.020 . 1 . . . B 1 DG H1' . 17729 1 567 . 2 2 1 1 DG H2' H 1 2.430 0.020 . 2 . . . B 1 DG H2' . 17729 1 568 . 2 2 1 1 DG H2'' H 1 2.609 0.020 . 2 . . . B 1 DG H2'' . 17729 1 569 . 2 2 1 1 DG H3' H 1 4.688 0.020 . 1 . . . B 1 DG H3' . 17729 1 570 . 2 2 1 1 DG H4' H 1 4.073 0.020 . 1 . . . B 1 DG H4' . 17729 1 571 . 2 2 1 1 DG H5' H 1 3.555 0.020 . 2 . . . B 1 DG H5' . 17729 1 572 . 2 2 1 1 DG H5'' H 1 3.555 0.020 . 2 . . . B 1 DG H5'' . 17729 1 573 . 2 2 1 1 DG H8 H 1 7.798 0.020 . 1 . . . B 1 DG H8 . 17729 1 574 . 2 2 2 2 DC H1' H 1 5.498 0.020 . 1 . . . B 2 DC H1' . 17729 1 575 . 2 2 2 2 DC H2' H 1 1.856 0.020 . 2 . . . B 2 DC H2' . 17729 1 576 . 2 2 2 2 DC H2'' H 1 2.224 0.020 . 2 . . . B 2 DC H2'' . 17729 1 577 . 2 2 2 2 DC H3' H 1 4.696 0.020 . 1 . . . B 2 DC H3' . 17729 1 578 . 2 2 2 2 DC H5 H 1 5.208 0.020 . 1 . . . B 2 DC H5 . 17729 1 579 . 2 2 2 2 DC H5' H 1 4.009 0.020 . 2 . . . B 2 DC H5' . 17729 1 580 . 2 2 2 2 DC H5'' H 1 3.957 0.020 . 2 . . . B 2 DC H5'' . 17729 1 581 . 2 2 2 2 DC H6 H 1 7.210 0.020 . 1 . . . B 2 DC H6 . 17729 1 582 . 2 2 2 2 DC H41 H 1 8.297 0.020 . 2 . . . B 2 DC H41 . 17729 1 583 . 2 2 2 2 DC H42 H 1 6.334 0.020 . 2 . . . B 2 DC H42 . 17729 1 584 . 2 2 3 3 DG H1 H 1 12.626 0.020 . 1 . . . B 3 DG H1 . 17729 1 585 . 2 2 3 3 DG H1' H 1 5.452 0.020 . 1 . . . B 3 DG H1' . 17729 1 586 . 2 2 3 3 DG H2' H 1 2.542 0.020 . 2 . . . B 3 DG H2' . 17729 1 587 . 2 2 3 3 DG H2'' H 1 2.643 0.020 . 2 . . . B 3 DG H2'' . 17729 1 588 . 2 2 3 3 DG H3' H 1 4.857 0.020 . 1 . . . B 3 DG H3' . 17729 1 589 . 2 2 3 3 DG H4' H 1 4.194 0.020 . 1 . . . B 3 DG H4' . 17729 1 590 . 2 2 3 3 DG H5' H 1 3.957 0.020 . 2 . . . B 3 DG H5' . 17729 1 591 . 2 2 3 3 DG H5'' H 1 3.872 0.020 . 2 . . . B 3 DG H5'' . 17729 1 592 . 2 2 3 3 DG H8 H 1 7.729 0.020 . 1 . . . B 3 DG H8 . 17729 1 593 . 2 2 4 4 DA H1' H 1 6.046 0.020 . 1 . . . B 4 DA H1' . 17729 1 594 . 2 2 4 4 DA H2 H 1 7.542 0.020 . 1 . . . B 4 DA H2 . 17729 1 595 . 2 2 4 4 DA H2' H 1 2.436 0.020 . 2 . . . B 4 DA H2' . 17729 1 596 . 2 2 4 4 DA H2'' H 1 2.752 0.020 . 2 . . . B 4 DA H2'' . 17729 1 597 . 2 2 4 4 DA H3' H 1 4.856 0.020 . 1 . . . B 4 DA H3' . 17729 1 598 . 2 2 4 4 DA H4' H 1 4.292 0.020 . 1 . . . B 4 DA H4' . 17729 1 599 . 2 2 4 4 DA H5' H 1 4.039 0.020 . 2 . . . B 4 DA H5' . 17729 1 600 . 2 2 4 4 DA H5'' H 1 4.065 0.020 . 2 . . . B 4 DA H5'' . 17729 1 601 . 2 2 4 4 DA H8 H 1 8.008 0.020 . 1 . . . B 4 DA H8 . 17729 1 602 . 2 2 5 5 DT H1' H 1 5.433 0.020 . 1 . . . B 5 DT H1' . 17729 1 603 . 2 2 5 5 DT H2' H 1 1.848 0.020 . 2 . . . B 5 DT H2' . 17729 1 604 . 2 2 5 5 DT H2'' H 1 2.282 0.020 . 2 . . . B 5 DT H2'' . 17729 1 605 . 2 2 5 5 DT H3 H 1 13.001 0.020 . 1 . . . B 5 DT H3 . 17729 1 606 . 2 2 5 5 DT H3' H 1 4.692 0.020 . 1 . . . B 5 DT H3' . 17729 1 607 . 2 2 5 5 DT H4' H 1 4.069 0.020 . 1 . . . B 5 DT H4' . 17729 1 608 . 2 2 5 5 DT H5' H 1 4.022 0.020 . 2 . . . B 5 DT H5' . 17729 1 609 . 2 2 5 5 DT H5'' H 1 3.978 0.020 . 2 . . . B 5 DT H5'' . 17729 1 610 . 2 2 5 5 DT H6 H 1 6.928 0.020 . 1 . . . B 5 DT H6 . 17729 1 611 . 2 2 5 5 DT H71 H 1 1.237 0.020 . 1 . . . B 5 THY H7 . 17729 1 612 . 2 2 5 5 DT H72 H 1 1.237 0.020 . 1 . . . B 5 THY H7 . 17729 1 613 . 2 2 5 5 DT H73 H 1 1.237 0.020 . 1 . . . B 5 THY H7 . 17729 1 614 . 2 2 6 6 DA H1' H 1 5.804 0.020 . 1 . . . B 6 DA H1' . 17729 1 615 . 2 2 6 6 DA H2 H 1 6.348 0.020 . 1 . . . B 6 DA H2 . 17729 1 616 . 2 2 6 6 DA H2' H 1 2.521 0.020 . 2 . . . B 6 DA H2' . 17729 1 617 . 2 2 6 6 DA H2'' H 1 2.771 0.020 . 2 . . . B 6 DA H2'' . 17729 1 618 . 2 2 6 6 DA H3' H 1 4.874 0.020 . 1 . . . B 6 DA H3' . 17729 1 619 . 2 2 6 6 DA H5' H 1 3.973 0.020 . 2 . . . B 6 DA H5' . 17729 1 620 . 2 2 6 6 DA H5'' H 1 4.035 0.020 . 2 . . . B 6 DA H5'' . 17729 1 621 . 2 2 6 6 DA H8 H 1 7.986 0.020 . 1 . . . B 6 DA H8 . 17729 1 622 . 2 2 7 7 DA H1' H 1 5.915 0.020 . 1 . . . B 7 DA H1' . 17729 1 623 . 2 2 7 7 DA H2 H 1 7.357 0.020 . 1 . . . B 7 DA H2 . 17729 1 624 . 2 2 7 7 DA H2' H 1 2.446 0.020 . 2 . . . B 7 DA H2' . 17729 1 625 . 2 2 7 7 DA H2'' H 1 2.511 0.020 . 2 . . . B 7 DA H2'' . 17729 1 626 . 2 2 7 7 DA H3' H 1 4.814 0.020 . 1 . . . B 7 DA H3' . 17729 1 627 . 2 2 7 7 DA H4' H 1 4.276 0.020 . 1 . . . B 7 DA H4' . 17729 1 628 . 2 2 7 7 DA H5' H 1 3.975 0.020 . 2 . . . B 7 DA H5' . 17729 1 629 . 2 2 7 7 DA H5'' H 1 4.038 0.020 . 2 . . . B 7 DA H5'' . 17729 1 630 . 2 2 7 7 DA H8 H 1 7.916 0.020 . 1 . . . B 7 DA H8 . 17729 1 631 . 2 2 8 8 DT H1' H 1 5.604 0.020 . 1 . . . B 8 DT H1' . 17729 1 632 . 2 2 8 8 DT H2' H 1 1.726 0.020 . 2 . . . B 8 DT H2' . 17729 1 633 . 2 2 8 8 DT H2'' H 1 2.190 0.020 . 2 . . . B 8 DT H2'' . 17729 1 634 . 2 2 8 8 DT H3 H 1 13.410 0.020 . 1 . . . B 8 DT H3 . 17729 1 635 . 2 2 8 8 DT H3' H 1 4.516 0.020 . 1 . . . B 8 DT H3' . 17729 1 636 . 2 2 8 8 DT H6 H 1 6.900 0.020 . 1 . . . B 8 DT H6 . 17729 1 637 . 2 2 8 8 DT H71 H 1 1.060 0.020 . 1 . . . B 8 THY H7 . 17729 1 638 . 2 2 8 8 DT H72 H 1 1.060 0.020 . 1 . . . B 8 THY H7 . 17729 1 639 . 2 2 8 8 DT H73 H 1 1.060 0.020 . 1 . . . B 8 THY H7 . 17729 1 640 . 2 2 9 9 DT H1' H 1 5.562 0.020 . 1 . . . B 9 DT H1' . 17729 1 641 . 2 2 9 9 DT H2' H 1 2.250 0.020 . 2 . . . B 9 DT H2' . 17729 1 642 . 2 2 9 9 DT H3 H 1 13.414 0.020 . 1 . . . B 9 DT H3 . 17729 1 643 . 2 2 9 9 DT H5' H 1 3.947 0.020 . 2 . . . B 9 DT H5' . 17729 1 644 . 2 2 9 9 DT H5'' H 1 3.897 0.020 . 2 . . . B 9 DT H5'' . 17729 1 645 . 2 2 9 9 DT H6 H 1 7.107 0.020 . 1 . . . B 9 DT H6 . 17729 1 646 . 2 2 9 9 DT H71 H 1 1.372 0.020 . 1 . . . B 9 THY H7 . 17729 1 647 . 2 2 9 9 DT H72 H 1 1.372 0.020 . 1 . . . B 9 THY H7 . 17729 1 648 . 2 2 9 9 DT H73 H 1 1.372 0.020 . 1 . . . B 9 THY H7 . 17729 1 649 . 2 2 10 10 DG H1 H 1 12.154 0.020 . 1 . . . B 10 DG H1 . 17729 1 650 . 2 2 10 10 DG H1' H 1 5.456 0.020 . 1 . . . B 10 DG H1' . 17729 1 651 . 2 2 10 10 DG H2' H 1 2.548 0.020 . 2 . . . B 10 DG H2' . 17729 1 652 . 2 2 10 10 DG H2'' H 1 2.641 0.020 . 2 . . . B 10 DG H2'' . 17729 1 653 . 2 2 10 10 DG H3' H 1 4.841 0.020 . 1 . . . B 10 DG H3' . 17729 1 654 . 2 2 10 10 DG H4' H 1 4.228 0.020 . 1 . . . B 10 DG H4' . 17729 1 655 . 2 2 10 10 DG H5' H 1 3.931 0.020 . 2 . . . B 10 DG H5' . 17729 1 656 . 2 2 10 10 DG H5'' H 1 3.931 0.020 . 2 . . . B 10 DG H5'' . 17729 1 657 . 2 2 10 10 DG H8 H 1 7.709 0.020 . 1 . . . B 10 DG H8 . 17729 1 658 . 2 2 11 11 DA H1' H 1 5.991 0.020 . 1 . . . B 11 DA H1' . 17729 1 659 . 2 2 11 11 DA H2 H 1 7.496 0.020 . 1 . . . B 11 DA H2 . 17729 1 660 . 2 2 11 11 DA H2' H 1 2.441 0.020 . 2 . . . B 11 DA H2' . 17729 1 661 . 2 2 11 11 DA H2'' H 1 2.695 0.020 . 2 . . . B 11 DA H2'' . 17729 1 662 . 2 2 11 11 DA H3' H 1 4.821 0.020 . 1 . . . B 11 DA H3' . 17729 1 663 . 2 2 11 11 DA H4' H 1 4.225 0.020 . 1 . . . B 11 DA H4' . 17729 1 664 . 2 2 11 11 DA H5' H 1 3.989 0.020 . 2 . . . B 11 DA H5' . 17729 1 665 . 2 2 11 11 DA H5'' H 1 4.031 0.020 . 2 . . . B 11 DA H5'' . 17729 1 666 . 2 2 11 11 DA H8 H 1 7.995 0.020 . 1 . . . B 11 DA H8 . 17729 1 667 . 2 2 12 12 DT H1' H 1 5.363 0.020 . 1 . . . B 12 DT H1' . 17729 1 668 . 2 2 12 12 DT H2' H 1 1.757 0.020 . 2 . . . B 12 DT H2' . 17729 1 669 . 2 2 12 12 DT H2'' H 1 2.113 0.020 . 2 . . . B 12 DT H2'' . 17729 1 670 . 2 2 12 12 DT H3 H 1 13.179 0.020 . 1 . . . B 12 DT H3 . 17729 1 671 . 2 2 12 12 DT H5' H 1 3.913 0.020 . 2 . . . B 12 DT H5' . 17729 1 672 . 2 2 12 12 DT H5'' H 1 3.913 0.020 . 2 . . . B 12 DT H5'' . 17729 1 673 . 2 2 12 12 DT H6 H 1 6.957 0.020 . 1 . . . B 12 DT H6 . 17729 1 674 . 2 2 12 12 DT H71 H 1 1.223 0.020 . 1 . . . B 12 THY H7 . 17729 1 675 . 2 2 12 12 DT H72 H 1 1.223 0.020 . 1 . . . B 12 THY H7 . 17729 1 676 . 2 2 12 12 DT H73 H 1 1.223 0.020 . 1 . . . B 12 THY H7 . 17729 1 677 . 2 2 13 13 DA H1' H 1 5.737 0.020 . 1 . . . B 13 DA H1' . 17729 1 678 . 2 2 13 13 DA H2 H 1 7.236 0.020 . 1 . . . B 13 DA H2 . 17729 1 679 . 2 2 13 13 DA H2' H 1 2.466 0.020 . 2 . . . B 13 DA H2' . 17729 1 680 . 2 2 13 13 DA H2'' H 1 2.642 0.020 . 2 . . . B 13 DA H2'' . 17729 1 681 . 2 2 13 13 DA H3' H 1 4.835 0.020 . 1 . . . B 13 DA H3' . 17729 1 682 . 2 2 13 13 DA H4' H 1 4.151 0.020 . 1 . . . B 13 DA H4' . 17729 1 683 . 2 2 13 13 DA H5' H 1 3.944 0.020 . 2 . . . B 13 DA H5' . 17729 1 684 . 2 2 13 13 DA H5'' H 1 4.036 0.020 . 2 . . . B 13 DA H5'' . 17729 1 685 . 2 2 13 13 DA H8 H 1 7.954 0.020 . 1 . . . B 13 DA H8 . 17729 1 686 . 2 2 14 14 DG H1 H 1 12.699 0.020 . 1 . . . B 14 DG H1 . 17729 1 687 . 2 2 14 14 DG H1' H 1 5.411 0.020 . 1 . . . B 14 DG H1' . 17729 1 688 . 2 2 14 14 DG H2' H 1 2.327 0.020 . 2 . . . B 14 DG H2' . 17729 1 689 . 2 2 14 14 DG H2'' H 1 2.462 0.020 . 2 . . . B 14 DG H2'' . 17729 1 690 . 2 2 14 14 DG H3' H 1 4.780 0.020 . 1 . . . B 14 DG H3' . 17729 1 691 . 2 2 14 14 DG H4' H 1 4.160 0.020 . 1 . . . B 14 DG H4' . 17729 1 692 . 2 2 14 14 DG H5' H 1 3.968 0.020 . 2 . . . B 14 DG H5' . 17729 1 693 . 2 2 14 14 DG H5'' H 1 4.039 0.020 . 2 . . . B 14 DG H5'' . 17729 1 694 . 2 2 14 14 DG H8 H 1 7.470 0.020 . 1 . . . B 14 DG H8 . 17729 1 695 . 2 2 15 15 DG H1' H 1 5.954 0.020 . 1 . . . B 15 DG H1' . 17729 1 696 . 2 2 15 15 DG H2' H 1 2.263 0.020 . 2 . . . B 15 DG H2' . 17729 1 697 . 2 2 15 15 DG H2'' H 1 2.180 0.020 . 2 . . . B 15 DG H2'' . 17729 1 698 . 2 2 15 15 DG H3' H 1 4.442 0.020 . 1 . . . B 15 DG H3' . 17729 1 699 . 2 2 15 15 DG H5' H 1 4.040 0.020 . 2 . . . B 15 DG H5' . 17729 1 700 . 2 2 15 15 DG H5'' H 1 3.946 0.020 . 2 . . . B 15 DG H5'' . 17729 1 701 . 2 2 15 15 DG H8 H 1 7.528 0.020 . 1 . . . B 15 DG H8 . 17729 1 702 . 3 3 1 1 DC H1' H 1 5.834 0.020 . 1 . . . C 16 CYT H1' . 17729 1 703 . 3 3 1 1 DC H2' H 1 2.095 0.020 . 2 . . . C 16 CYT H2' . 17729 1 704 . 3 3 1 1 DC H2'' H 1 2.407 0.020 . 2 . . . C 16 CYT H2'' . 17729 1 705 . 3 3 1 1 DC H3' H 1 4.530 0.020 . 1 . . . C 16 CYT H3' . 17729 1 706 . 3 3 1 1 DC H4' H 1 3.977 0.020 . 1 . . . C 16 CYT H4' . 17729 1 707 . 3 3 1 1 DC H5 H 1 5.798 0.020 . 1 . . . C 16 CYT H5 . 17729 1 708 . 3 3 1 1 DC H5' H 1 3.658 0.020 . 2 . . . C 16 CYT H5' . 17729 1 709 . 3 3 1 1 DC H5'' H 1 3.612 0.020 . 2 . . . C 16 CYT H5'' . 17729 1 710 . 3 3 1 1 DC H6 H 1 7.646 0.020 . 1 . . . C 16 CYT H6 . 17729 1 711 . 3 3 2 2 DC H1' H 1 5.844 0.020 . 1 . . . C 17 CYT H1' . 17729 1 712 . 3 3 2 2 DC H2' H 1 2.009 0.020 . 2 . . . C 17 CYT H2' . 17729 1 713 . 3 3 2 2 DC H2'' H 1 2.352 0.020 . 2 . . . C 17 CYT H2'' . 17729 1 714 . 3 3 2 2 DC H3' H 1 4.668 0.020 . 1 . . . C 17 CYT H3' . 17729 1 715 . 3 3 2 2 DC H4' H 1 4.044 0.020 . 1 . . . C 17 CYT H4' . 17729 1 716 . 3 3 2 2 DC H41 H 1 8.237 0.020 . 2 . . . C 17 CYT H41 . 17729 1 717 . 3 3 2 2 DC H42 H 1 6.814 0.020 . 2 . . . C 17 CYT H42 . 17729 1 718 . 3 3 2 2 DC H5 H 1 5.518 0.020 . 1 . . . C 17 CYT H5 . 17729 1 719 . 3 3 2 2 DC H5' H 1 3.959 0.020 . 2 . . . C 17 CYT H5' . 17729 1 720 . 3 3 2 2 DC H5'' H 1 3.932 0.020 . 2 . . . C 17 CYT H5'' . 17729 1 721 . 3 3 2 2 DC H6 H 1 7.510 0.020 . 1 . . . C 17 CYT H6 . 17729 1 722 . 3 3 3 3 DT H1' H 1 5.536 0.020 . 1 . . . C 18 THY H1' . 17729 1 723 . 3 3 3 3 DT H2' H 1 2.092 0.020 . 2 . . . C 18 THY H2' . 17729 1 724 . 3 3 3 3 DT H2'' H 1 2.380 0.020 . 2 . . . C 18 THY H2'' . 17729 1 725 . 3 3 3 3 DT H3 H 1 13.445 0.020 . 1 . . . C 18 THY H3 . 17729 1 726 . 3 3 3 3 DT H3' H 1 4.744 0.020 . 1 . . . C 18 THY H3' . 17729 1 727 . 3 3 3 3 DT H5' H 1 4.041 0.020 . 2 . . . C 18 THY H5' . 17729 1 728 . 3 3 3 3 DT H5'' H 1 3.944 0.020 . 2 . . . C 18 THY H5'' . 17729 1 729 . 3 3 3 3 DT H6 H 1 7.289 0.020 . 1 . . . C 18 THY H6 . 17729 1 730 . 3 3 3 3 DT H71 H 1 1.546 0.020 . 1 . . . C 18 THY H7 . 17729 1 731 . 3 3 3 3 DT H72 H 1 1.546 0.020 . 1 . . . C 18 THY H7 . 17729 1 732 . 3 3 3 3 DT H73 H 1 1.546 0.020 . 1 . . . C 18 THY H7 . 17729 1 733 . 3 3 4 4 DA H1' H 1 6.109 0.020 . 1 . . . C 19 ADE H1' . 17729 1 734 . 3 3 4 4 DA H2 H 1 7.167 0.020 . 1 . . . C 19 ADE H2 . 17729 1 735 . 3 3 4 4 DA H2' H 1 2.530 0.020 . 2 . . . C 19 ADE H2' . 17729 1 736 . 3 3 4 4 DA H2'' H 1 2.779 0.020 . 2 . . . C 19 ADE H2'' . 17729 1 737 . 3 3 4 4 DA H3' H 1 4.858 0.020 . 1 . . . C 19 ADE H3' . 17729 1 738 . 3 3 4 4 DA H4' H 1 4.277 0.020 . 1 . . . C 19 ADE H4' . 17729 1 739 . 3 3 4 4 DA H5' H 1 3.952 0.020 . 2 . . . C 19 ADE H5' . 17729 1 740 . 3 3 4 4 DA H5'' H 1 3.993 0.020 . 2 . . . C 19 ADE H5'' . 17729 1 741 . 3 3 4 4 DA H8 H 1 8.201 0.020 . 1 . . . C 19 ADE H8 . 17729 1 742 . 3 3 5 5 DT H1' H 1 5.640 0.020 . 1 . . . C 20 THY H1' . 17729 1 743 . 3 3 5 5 DT H2' H 1 2.173 0.020 . 2 . . . C 20 THY H2' . 17729 1 744 . 3 3 5 5 DT H2'' H 1 1.811 0.020 . 2 . . . C 20 THY H2'' . 17729 1 745 . 3 3 5 5 DT H3 H 1 13.233 0.020 . 1 . . . C 20 THY H3 . 17729 1 746 . 3 3 5 5 DT H3' H 1 4.640 0.020 . 1 . . . C 20 THY H3' . 17729 1 747 . 3 3 5 5 DT H4' H 1 4.074 0.020 . 1 . . . C 20 THY H4' . 17729 1 748 . 3 3 5 5 DT H5' H 1 4.014 0.020 . 2 . . . C 20 THY H5' . 17729 1 749 . 3 3 5 5 DT H5'' H 1 3.945 0.020 . 2 . . . C 20 THY H5'' . 17729 1 750 . 3 3 5 5 DT H6 H 1 6.958 0.020 . 1 . . . C 20 THY H6 . 17729 1 751 . 3 3 5 5 DT H71 H 1 1.213 0.020 . 1 . . . C 20 THY H7 . 17729 1 752 . 3 3 5 5 DT H72 H 1 1.213 0.020 . 1 . . . C 20 THY H7 . 17729 1 753 . 3 3 5 5 DT H73 H 1 1.213 0.020 . 1 . . . C 20 THY H7 . 17729 1 754 . 3 3 6 6 DC H1' H 1 5.193 0.020 . 1 . . . C 21 CYT H1' . 17729 1 755 . 3 3 6 6 DC H2' H 1 1.665 0.020 . 2 . . . C 21 CYT H2' . 17729 1 756 . 3 3 6 6 DC H2'' H 1 2.081 0.020 . 2 . . . C 21 CYT H2'' . 17729 1 757 . 3 3 6 6 DC H3' H 1 4.562 0.020 . 1 . . . C 21 CYT H3' . 17729 1 758 . 3 3 6 6 DC H41 H 1 6.351 0.020 . 2 . . . C 21 CYT H41 . 17729 1 759 . 3 3 6 6 DC H42 H 1 8.173 0.020 . 2 . . . C 21 CYT H42 . 17729 1 760 . 3 3 6 6 DC H5 H 1 5.402 0.020 . 1 . . . C 21 CYT H5 . 17729 1 761 . 3 3 6 6 DC H5' H 1 3.857 0.020 . 2 . . . C 21 CYT H5' . 17729 1 762 . 3 3 6 6 DC H5'' H 1 3.808 0.020 . 2 . . . C 21 CYT H5'' . 17729 1 763 . 3 3 6 6 DC H6 H 1 7.236 0.020 . 1 . . . C 21 CYT H6 . 17729 1 764 . 3 3 7 7 DA H1' H 1 5.654 0.020 . 1 . . . C 22 ADE H1' . 17729 1 765 . 3 3 7 7 DA H2 H 1 6.956 0.020 . 1 . . . C 22 ADE H2 . 17729 1 766 . 3 3 7 7 DA H2' H 1 2.561 0.020 . 2 . . . C 22 ADE H2' . 17729 1 767 . 3 3 7 7 DA H2'' H 1 2.701 0.020 . 2 . . . C 22 ADE H2'' . 17729 1 768 . 3 3 7 7 DA H3' H 1 4.851 0.020 . 1 . . . C 22 ADE H3' . 17729 1 769 . 3 3 7 7 DA H4' H 1 4.179 0.020 . 1 . . . C 22 ADE H4' . 17729 1 770 . 3 3 7 7 DA H5' H 1 3.915 0.020 . 2 . . . C 22 ADE H5' . 17729 1 771 . 3 3 7 7 DA H5'' H 1 3.963 0.020 . 2 . . . C 22 ADE H5'' . 17729 1 772 . 3 3 7 7 DA H8 H 1 8.016 0.020 . 1 . . . C 22 ADE H8 . 17729 1 773 . 3 3 8 8 DA H1' H 1 5.935 0.020 . 1 . . . C 23 ADE H1' . 17729 1 774 . 3 3 8 8 DA H2 H 1 7.414 0.020 . 1 . . . C 23 ADE H2 . 17729 1 775 . 3 3 8 8 DA H2' H 1 2.440 0.020 . 2 . . . C 23 ADE H2' . 17729 1 776 . 3 3 8 8 DA H2'' H 1 2.639 0.020 . 2 . . . C 23 ADE H2'' . 17729 1 777 . 3 3 8 8 DA H3' H 1 4.825 0.020 . 1 . . . C 23 ADE H3' . 17729 1 778 . 3 3 8 8 DA H4' H 1 4.198 0.020 . 1 . . . C 23 ADE H4' . 17729 1 779 . 3 3 8 8 DA H5' H 1 3.972 0.020 . 1 . . . C 23 ADE H5' . 17729 1 780 . 3 3 8 8 DA H5'' H 1 4.016 0.020 . 1 . . . C 23 ADE H5'' . 17729 1 781 . 3 3 8 8 DA H8 H 1 8.000 0.020 . 1 . . . C 23 ADE H8 . 17729 1 782 . 3 3 9 9 DT H1' H 1 5.635 0.020 . 1 . . . C 24 THY H1' . 17729 1 783 . 3 3 9 9 DT H2' H 1 1.796 0.020 . 2 . . . C 24 THY H2' . 17729 1 784 . 3 3 9 9 DT H2'' H 1 2.252 0.020 . 2 . . . C 24 THY H2'' . 17729 1 785 . 3 3 9 9 DT H3 H 1 13.415 0.020 . 1 . . . C 24 THY H3 . 17729 1 786 . 3 3 9 9 DT H3' H 1 4.529 0.020 . 1 . . . C 24 THY H3' . 17729 1 787 . 3 3 9 9 DT H5' H 1 4.017 0.020 . 2 . . . C 24 THY H5' . 17729 1 788 . 3 3 9 9 DT H5'' H 1 3.977 0.020 . 2 . . . C 24 THY H5'' . 17729 1 789 . 3 3 9 9 DT H6 H 1 6.912 0.020 . 1 . . . C 24 THY H6 . 17729 1 790 . 3 3 9 9 DT H71 H 1 1.169 0.020 . 1 . . . C 24 THY H7 . 17729 1 791 . 3 3 9 9 DT H72 H 1 1.169 0.020 . 1 . . . C 24 THY H7 . 17729 1 792 . 3 3 9 9 DT H73 H 1 1.169 0.020 . 1 . . . C 24 THY H7 . 17729 1 793 . 3 3 10 10 DT H1' H 1 5.715 0.020 . 1 . . . C 25 THY H1' . 17729 1 794 . 3 3 10 10 DT H2' H 1 2.485 0.020 . 2 . . . C 25 THY H2' . 17729 1 795 . 3 3 10 10 DT H3 H 1 13.213 0.020 . 1 . . . C 25 THY H3 . 17729 1 796 . 3 3 10 10 DT H6 H 1 7.284 0.020 . 1 . . . C 25 THY H6 . 17729 1 797 . 3 3 10 10 DT H71 H 1 1.448 0.020 . 1 . . . C 25 THY H7 . 17729 1 798 . 3 3 10 10 DT H72 H 1 1.448 0.020 . 1 . . . C 25 THY H7 . 17729 1 799 . 3 3 10 10 DT H73 H 1 1.448 0.020 . 1 . . . C 25 THY H7 . 17729 1 800 . 3 3 11 11 DA H1' H 1 6.036 0.020 . 1 . . . C 26 ADE H1' . 17729 1 801 . 3 3 11 11 DA H2 H 1 6.940 0.020 . 1 . . . C 26 ADE H2 . 17729 1 802 . 3 3 11 11 DA H2' H 1 2.553 0.020 . 2 . . . C 26 ADE H2' . 17729 1 803 . 3 3 11 11 DA H2'' H 1 2.811 0.020 . 2 . . . C 26 ADE H2'' . 17729 1 804 . 3 3 11 11 DA H3' H 1 4.871 0.020 . 1 . . . C 26 ADE H3' . 17729 1 805 . 3 3 11 11 DA H5' H 1 4.008 0.020 . 2 . . . C 26 ADE H5' . 17729 1 806 . 3 3 11 11 DA H5'' H 1 4.008 0.020 . 2 . . . C 26 ADE H5'' . 17729 1 807 . 3 3 11 11 DA H8 H 1 8.169 0.020 . 1 . . . C 26 ADE H8 . 17729 1 808 . 3 3 12 12 DT H1' H 1 5.722 0.020 . 1 . . . C 27 THY H1' . 17729 1 809 . 3 3 12 12 DT H2' H 1 1.882 0.020 . 2 . . . C 27 THY H2' . 17729 1 810 . 3 3 12 12 DT H2'' H 1 2.275 0.020 . 2 . . . C 27 THY H2'' . 17729 1 811 . 3 3 12 12 DT H3 H 1 13.294 0.020 . 1 . . . C 27 THY H3 . 17729 1 812 . 3 3 12 12 DT H3' H 1 4.670 0.020 . 1 . . . C 27 THY H3' . 17729 1 813 . 3 3 12 12 DT H5' H 1 3.998 0.020 . 2 . . . C 27 THY H5' . 17729 1 814 . 3 3 12 12 DT H5'' H 1 3.946 0.020 . 2 . . . C 27 THY H5'' . 17729 1 815 . 3 3 12 12 DT H6 H 1 6.979 0.020 . 1 . . . C 27 THY H6 . 17729 1 816 . 3 3 12 12 DT H71 H 1 1.136 0.020 . 1 . . . C 27 THY H7 . 17729 1 817 . 3 3 12 12 DT H72 H 1 1.136 0.020 . 1 . . . C 27 THY H7 . 17729 1 818 . 3 3 12 12 DT H73 H 1 1.136 0.020 . 1 . . . C 27 THY H7 . 17729 1 819 . 3 3 13 13 DC H1' H 1 5.490 0.020 . 1 . . . C 28 CYT H1' . 17729 1 820 . 3 3 13 13 DC H2' H 1 1.810 0.020 . 2 . . . C 28 CYT H2' . 17729 1 821 . 3 3 13 13 DC H2'' H 1 2.224 0.020 . 2 . . . C 28 CYT H2'' . 17729 1 822 . 3 3 13 13 DC H41 H 1 8.215 0.020 . 2 . . . C 28 CYT H41 . 17729 1 823 . 3 3 13 13 DC H42 H 1 6.592 0.020 . 2 . . . C 28 CYT H42 . 17729 1 824 . 3 3 13 13 DC H5 H 1 5.415 0.020 . 1 . . . C 28 CYT H5 . 17729 1 825 . 3 3 13 13 DC H5' H 1 3.948 0.020 . 2 . . . C 28 CYT H5' . 17729 1 826 . 3 3 13 13 DC H5'' H 1 3.948 0.020 . 2 . . . C 28 CYT H5'' . 17729 1 827 . 3 3 13 13 DC H6 H 1 7.256 0.020 . 1 . . . C 28 CYT H6 . 17729 1 828 . 3 3 14 14 DG H1 H 1 12.880 0.020 . 1 . . . C 29 GUA H1 . 17729 1 829 . 3 3 14 14 DG H1' H 1 5.796 0.020 . 1 . . . C 29 GUA H1' . 17729 1 830 . 3 3 14 14 DG H2' H 1 2.470 0.020 . 2 . . . C 29 GUA H2' . 17729 1 831 . 3 3 14 14 DG H2'' H 1 2.580 0.020 . 2 . . . C 29 GUA H2'' . 17729 1 832 . 3 3 14 14 DG H3' H 1 4.822 0.020 . 1 . . . C 29 GUA H3' . 17729 1 833 . 3 3 14 14 DG H4' H 1 4.217 0.020 . 1 . . . C 29 GUA H4' . 17729 1 834 . 3 3 14 14 DG H5' H 1 3.953 0.020 . 2 . . . C 29 GUA H5' . 17729 1 835 . 3 3 14 14 DG H5'' H 1 3.884 0.020 . 2 . . . C 29 GUA H5'' . 17729 1 836 . 3 3 14 14 DG H8 H 1 7.753 0.020 . 1 . . . C 29 GUA H8 . 17729 1 837 . 3 3 15 15 DC H1' H 1 6.023 0.020 . 1 . . . C 30 CYT H1' . 17729 1 838 . 3 3 15 15 DC H2' H 1 2.017 0.020 . 2 . . . C 30 CYT H2' . 17729 1 839 . 3 3 15 15 DC H2'' H 1 2.034 0.020 . 2 . . . C 30 CYT H2'' . 17729 1 840 . 3 3 15 15 DC H3' H 1 4.343 0.020 . 1 . . . C 30 CYT H3' . 17729 1 841 . 3 3 15 15 DC H4' H 1 3.880 0.020 . 1 . . . C 30 CYT H4' . 17729 1 842 . 3 3 15 15 DC H41 H 1 8.068 0.020 . 2 . . . C 30 CYT H41 . 17729 1 843 . 3 3 15 15 DC H42 H 1 6.572 0.020 . 2 . . . C 30 CYT H42 . 17729 1 844 . 3 3 15 15 DC H5 H 1 5.330 0.020 . 1 . . . C 30 CYT H5 . 17729 1 845 . 3 3 15 15 DC H5' H 1 4.067 0.020 . 2 . . . C 30 CYT H5' . 17729 1 846 . 3 3 15 15 DC H5'' H 1 3.876 0.020 . 2 . . . C 30 CYT H5'' . 17729 1 847 . 3 3 15 15 DC H6 H 1 7.291 0.020 . 1 . . . C 30 CYT H6 . 17729 1 stop_ save_