data_6833 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 6833 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 'backbone assignment of MazF(E24A) bound with MazEp(54-77)' 'Interactions with different ligands' 'The data from the entries that make up this study were used to determine the interactions of MazF(E24A) with MazEp(54-77)' 6833 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID 1 'addiction module' 6833 1 1 MazE 6833 1 1 MazF 6833 1 1 'mRNA interferase' 6833 1 1 NMR 6833 1 stop_ loop_ _Study_entry_list.Study_ID _Study_entry_list.BMRB_accession_code _Study_entry_list.BMRB_entry_description _Study_entry_list.Details _Study_entry_list.Entry_ID _Study_entry_list.Study_list_ID 1 6828 'backbone assignment of MazF(E24A)' '13C 15N and 1H chemical shift assignments for backbone of apo-MazF(E24A)' 6833 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6833 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for holo-MazF(E24A) with MazEp(54-77) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-09-21 _Entry.Accession_date 2005-09-21 _Entry.Last_release_date 2007-01-29 _Entry.Original_release_date 2007-01-29 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Guang-Yao Li . . . 6833 2 Yonglong Zhang . . . 6833 3 Mitchell Chan . . . 6833 4 Tapas Mal . K. . 6833 5 Klaus Hoeflich . P. . 6833 6 Masayori Inouye . . . 6833 7 Mitsuhiko Ikura . . . 6833 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . OCI . 6833 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6833 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 212 6833 '15N chemical shifts' 101 6833 '1H chemical shifts' 101 6833 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 . . 2007-01-29 2005-09-21 original author . 6833 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 6828 'Entry containing apo-MazF(E24A) backbone assignment' 6833 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 6833 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16413577 _Citation.Full_citation . _Citation.Title ; Characterization of Dual Substrate Binding Sites in the Homodimeric Structure of Escherichia coli mRNA Interferase MazF ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 357 _Citation.Journal_issue 1 _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 139 _Citation.Page_last 150 _Citation.Year 2006 _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 Guang-Yao Li . . . 6833 1 2 Yonglong Zhang . . . 6833 1 3 Mitchell Chan . C. . 6833 1 4 Tapas Mal . K. . 6833 1 5 Klaus Hoeflich . P. . 6833 1 6 Masayori Inouye . . . 6833 1 7 Mitsuhiko Ikura . . . 6833 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'addiction module' 6833 1 MazE 6833 1 MazF 6833 1 'mRNA interferase' 6833 1 NMR 6833 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6833 _Assembly.ID 1 _Assembly.Name 'MazF(E24A)2-MazEp(54-77)2 heterotetramer' _Assembly.BMRB_code . _Assembly.Number_of_components 4 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 30132 _Assembly.Enzyme_commission_number . _Assembly.Details ; This molecular assembly is composed of two MazF(E24A) as a homodimer and two peptides (T54-K77)from antitoxin MazE. ; _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID 'protein-protein complex' 6833 1 stop_ 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 MazF(E24A) 1 $E._COLI_TOXIN_mRNA_interferase . . yes native no no 1 toxin 'one of the momoner in a MazF(E24A) homodimer' 6833 1 2 MazF(E24A) 1 $E._COLI_TOXIN_mRNA_interferase . . yes native no no 1 toxin 'one of the momoner in a MazF(E24A) homodimer' 6833 1 3 MazEp(54-77) 2 $E._coli_antitoxin_C-terminal_peptide . . no native no no 2 antitoxin 'there are two peptides binding to the MazF(E24A) homodimer' 6833 1 4 MazEp(54-77) 2 $E._coli_antitoxin_C-terminal_peptide . . no native no no 2 antitoxin 'there are two peptides binding to the MazF(E24A) homodimer' 6833 1 stop_ loop_ _Assembly_interaction.ID _Assembly_interaction.Entity_assembly_ID_1 _Assembly_interaction.Entity_assembly_ID_2 _Assembly_interaction.Mol_interaction_type _Assembly_interaction.Entry_ID _Assembly_interaction.Assembly_ID 1 1 2 'Extremely slow exchange' 6833 1 2 1 3 'Slow exchange' 6833 1 3 2 4 'Slow exchange' 6833 1 stop_ loop_ _Assembly_keyword.Keyword _Assembly_keyword.Entry_ID _Assembly_keyword.Assembly_ID MazEp(54-77) 6833 1 MazF(E24A) 6833 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_E._COLI_TOXIN_mRNA_interferase _Entity.Sf_category entity _Entity.Sf_framecode E._COLI_TOXIN_mRNA_interferase _Entity.Entry_ID 6833 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'E. COLI TOXIN mRNA interferase' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMVSRYVPDMGDLIWVDF DPTKGSAQAGHRPAVVLSPF MYNNKTGMCLCVPCTTQSKG YPFEVVLSGQERDGVALADQ VKSIAWRARGATKKGTVAPE ELQLIKAKINVLIG ; _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 114 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12321 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 1MVF . "Maze Addiction Antidote" . . . . . 100.00 82 100.00 100.00 3.36e-07 . . . . 6833 1 2 no PDB 1UB4 . "Crystal Structure Of Mazef Complex" . . . . . 100.00 85 100.00 100.00 4.44e-07 . . . . 6833 1 3 no DBJ BAA41177 . "ChpAI [Escherichia coli]" . . . . . 100.00 82 100.00 100.00 3.36e-07 . . . . 6833 1 4 no DBJ BAB37066 . "suppressor of ChpA inhibitory function [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 82 100.00 100.00 3.36e-07 . . . . 6833 1 5 no DBJ BAE76857 . "antitoxin of the ChpA-ChpR toxin-antitoxin system [Escherichia coli str. K-12 substr. W3110]" . . . . . 100.00 82 100.00 100.00 3.36e-07 . . . . 6833 1 6 no DBJ BAG78565 . "suppressor of inhibitor protein [Escherichia coli SE11]" . . . . . 100.00 82 100.00 100.00 3.36e-07 . . . . 6833 1 7 no DBJ BAI27044 . "antitoxin ChpR of the ChpA-ChpR toxin-antitoxin system [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 82 100.00 100.00 3.36e-07 . . . . 6833 1 8 no EMBL CAP77216 . "PemI-like protein 1 [Escherichia coli LF82]" . . . . . 100.00 82 100.00 100.00 3.36e-07 . . . . 6833 1 9 no EMBL CAQ33107 . "MazE antitoxin of the MazF-MazE toxin-antitoxin system, subunit of MazE-MazF complex [Escherichia coli BL21(DE3)]" . . . . . 100.00 82 100.00 100.00 3.36e-07 . . . . 6833 1 10 no EMBL CAQ87849 . "antitoxin of the ChpA-ChpR toxin-antitoxin system [Escherichia fergusonii ATCC 35469]" . . . . . 100.00 82 100.00 100.00 3.36e-07 . . . . 6833 1 11 no EMBL CAQ99711 . "antitoxin of the ChpA-ChpR toxin-antitoxin system [Escherichia coli IAI1]" . . . . . 100.00 82 100.00 100.00 3.36e-07 . . . . 6833 1 12 no EMBL CAR04293 . "antitoxin of the ChpA-ChpR toxin-antitoxin system [Escherichia coli S88]" . . . . . 100.00 82 100.00 100.00 3.36e-07 . . . . 6833 1 13 no GB AAA03238 . "homologous to plasmid R100 pemI gene [Escherichia coli]" . . . . . 100.00 82 100.00 100.00 3.36e-07 . . . . 6833 1 14 no GB AAA69293 . "pemI-like protein 1 [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 82 100.00 100.00 3.36e-07 . . . . 6833 1 15 no GB AAC75825 . "antitoxin of the ChpA-ChpR toxin-antitoxin system [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 82 100.00 100.00 3.36e-07 . . . . 6833 1 16 no GB AAG57896 . "suppressor of inhibitory function of ChpA, PemI-like, autoregulated [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 82 100.00 100.00 3.36e-07 . . . . 6833 1 17 no GB AAZ89539 . "suppressor of inhibitory function of ChpA, PemI-like, autoregulated [Shigella sonnei Ss046]" . . . . . 100.00 82 100.00 100.00 3.36e-07 . . . . 6833 1 18 no REF NP_289337 . "antitoxin MazE [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 82 100.00 100.00 3.36e-07 . . . . 6833 1 19 no REF NP_311670 . "antitoxin MazE [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 82 100.00 100.00 3.36e-07 . . . . 6833 1 20 no REF NP_417263 . "antitoxin of the ChpA-ChpR toxin-antitoxin system [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 82 100.00 100.00 3.36e-07 . . . . 6833 1 21 no REF WP_000581935 . "antitoxin MazE [Escherichia coli]" . . . . . 100.00 82 100.00 100.00 3.40e-07 . . . . 6833 1 22 no REF WP_000581937 . "MULTISPECIES: antitoxin MazE [Enterobacteriaceae]" . . . . . 100.00 82 100.00 100.00 3.36e-07 . . . . 6833 1 23 no SP P0AE72 . "RecName: Full=Antitoxin MazE [Escherichia coli K-12]" . . . . . 100.00 82 100.00 100.00 3.36e-07 . . . . 6833 1 24 no SP P0AE73 . "RecName: Full=Antitoxin MazE [Escherichia coli O157:H7]" . . . . . 100.00 82 100.00 100.00 3.36e-07 . . . . 6833 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'mRNA interferase' 6833 1 toxin 6833 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 -2 GLY . 6833 1 2 -1 SER . 6833 1 3 0 HIS . 6833 1 4 1 MET . 6833 1 5 2 VAL . 6833 1 6 3 SER . 6833 1 7 4 ARG . 6833 1 8 5 TYR . 6833 1 9 6 VAL . 6833 1 10 7 PRO . 6833 1 11 8 ASP . 6833 1 12 9 MET . 6833 1 13 10 GLY . 6833 1 14 11 ASP . 6833 1 15 12 LEU . 6833 1 16 13 ILE . 6833 1 17 14 TRP . 6833 1 18 15 VAL . 6833 1 19 16 ASP . 6833 1 20 17 PHE . 6833 1 21 18 ASP . 6833 1 22 19 PRO . 6833 1 23 20 THR . 6833 1 24 21 LYS . 6833 1 25 22 GLY . 6833 1 26 23 SER . 6833 1 27 24 ALA . 6833 1 28 25 GLN . 6833 1 29 26 ALA . 6833 1 30 27 GLY . 6833 1 31 28 HIS . 6833 1 32 29 ARG . 6833 1 33 30 PRO . 6833 1 34 31 ALA . 6833 1 35 32 VAL . 6833 1 36 33 VAL . 6833 1 37 34 LEU . 6833 1 38 35 SER . 6833 1 39 36 PRO . 6833 1 40 37 PHE . 6833 1 41 38 MET . 6833 1 42 39 TYR . 6833 1 43 40 ASN . 6833 1 44 41 ASN . 6833 1 45 42 LYS . 6833 1 46 43 THR . 6833 1 47 44 GLY . 6833 1 48 45 MET . 6833 1 49 46 CYS . 6833 1 50 47 LEU . 6833 1 51 48 CYS . 6833 1 52 49 VAL . 6833 1 53 50 PRO . 6833 1 54 51 CYS . 6833 1 55 52 THR . 6833 1 56 53 THR . 6833 1 57 54 GLN . 6833 1 58 55 SER . 6833 1 59 56 LYS . 6833 1 60 57 GLY . 6833 1 61 58 TYR . 6833 1 62 59 PRO . 6833 1 63 60 PHE . 6833 1 64 61 GLU . 6833 1 65 62 VAL . 6833 1 66 63 VAL . 6833 1 67 64 LEU . 6833 1 68 65 SER . 6833 1 69 66 GLY . 6833 1 70 67 GLN . 6833 1 71 68 GLU . 6833 1 72 69 ARG . 6833 1 73 70 ASP . 6833 1 74 71 GLY . 6833 1 75 72 VAL . 6833 1 76 73 ALA . 6833 1 77 74 LEU . 6833 1 78 75 ALA . 6833 1 79 76 ASP . 6833 1 80 77 GLN . 6833 1 81 78 VAL . 6833 1 82 79 LYS . 6833 1 83 80 SER . 6833 1 84 81 ILE . 6833 1 85 82 ALA . 6833 1 86 83 TRP . 6833 1 87 84 ARG . 6833 1 88 85 ALA . 6833 1 89 86 ARG . 6833 1 90 87 GLY . 6833 1 91 88 ALA . 6833 1 92 89 THR . 6833 1 93 90 LYS . 6833 1 94 91 LYS . 6833 1 95 92 GLY . 6833 1 96 93 THR . 6833 1 97 94 VAL . 6833 1 98 95 ALA . 6833 1 99 96 PRO . 6833 1 100 97 GLU . 6833 1 101 98 GLU . 6833 1 102 99 LEU . 6833 1 103 100 GLN . 6833 1 104 101 LEU . 6833 1 105 102 ILE . 6833 1 106 103 LYS . 6833 1 107 104 ALA . 6833 1 108 105 LYS . 6833 1 109 106 ILE . 6833 1 110 107 ASN . 6833 1 111 108 VAL . 6833 1 112 109 LEU . 6833 1 113 110 ILE . 6833 1 114 111 GLY . 6833 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 6833 1 . SER 2 2 6833 1 . HIS 3 3 6833 1 . MET 4 4 6833 1 . VAL 5 5 6833 1 . SER 6 6 6833 1 . ARG 7 7 6833 1 . TYR 8 8 6833 1 . VAL 9 9 6833 1 . PRO 10 10 6833 1 . ASP 11 11 6833 1 . MET 12 12 6833 1 . GLY 13 13 6833 1 . ASP 14 14 6833 1 . LEU 15 15 6833 1 . ILE 16 16 6833 1 . TRP 17 17 6833 1 . VAL 18 18 6833 1 . ASP 19 19 6833 1 . PHE 20 20 6833 1 . ASP 21 21 6833 1 . PRO 22 22 6833 1 . THR 23 23 6833 1 . LYS 24 24 6833 1 . GLY 25 25 6833 1 . SER 26 26 6833 1 . ALA 27 27 6833 1 . GLN 28 28 6833 1 . ALA 29 29 6833 1 . GLY 30 30 6833 1 . HIS 31 31 6833 1 . ARG 32 32 6833 1 . PRO 33 33 6833 1 . ALA 34 34 6833 1 . VAL 35 35 6833 1 . VAL 36 36 6833 1 . LEU 37 37 6833 1 . SER 38 38 6833 1 . PRO 39 39 6833 1 . PHE 40 40 6833 1 . MET 41 41 6833 1 . TYR 42 42 6833 1 . ASN 43 43 6833 1 . ASN 44 44 6833 1 . LYS 45 45 6833 1 . THR 46 46 6833 1 . GLY 47 47 6833 1 . MET 48 48 6833 1 . CYS 49 49 6833 1 . LEU 50 50 6833 1 . CYS 51 51 6833 1 . VAL 52 52 6833 1 . PRO 53 53 6833 1 . CYS 54 54 6833 1 . THR 55 55 6833 1 . THR 56 56 6833 1 . GLN 57 57 6833 1 . SER 58 58 6833 1 . LYS 59 59 6833 1 . GLY 60 60 6833 1 . TYR 61 61 6833 1 . PRO 62 62 6833 1 . PHE 63 63 6833 1 . GLU 64 64 6833 1 . VAL 65 65 6833 1 . VAL 66 66 6833 1 . LEU 67 67 6833 1 . SER 68 68 6833 1 . GLY 69 69 6833 1 . GLN 70 70 6833 1 . GLU 71 71 6833 1 . ARG 72 72 6833 1 . ASP 73 73 6833 1 . GLY 74 74 6833 1 . VAL 75 75 6833 1 . ALA 76 76 6833 1 . LEU 77 77 6833 1 . ALA 78 78 6833 1 . ASP 79 79 6833 1 . GLN 80 80 6833 1 . VAL 81 81 6833 1 . LYS 82 82 6833 1 . SER 83 83 6833 1 . ILE 84 84 6833 1 . ALA 85 85 6833 1 . TRP 86 86 6833 1 . ARG 87 87 6833 1 . ALA 88 88 6833 1 . ARG 89 89 6833 1 . GLY 90 90 6833 1 . ALA 91 91 6833 1 . THR 92 92 6833 1 . LYS 93 93 6833 1 . LYS 94 94 6833 1 . GLY 95 95 6833 1 . THR 96 96 6833 1 . VAL 97 97 6833 1 . ALA 98 98 6833 1 . PRO 99 99 6833 1 . GLU 100 100 6833 1 . GLU 101 101 6833 1 . LEU 102 102 6833 1 . GLN 103 103 6833 1 . LEU 104 104 6833 1 . ILE 105 105 6833 1 . LYS 106 106 6833 1 . ALA 107 107 6833 1 . LYS 108 108 6833 1 . ILE 109 109 6833 1 . ASN 110 110 6833 1 . VAL 111 111 6833 1 . LEU 112 112 6833 1 . ILE 113 113 6833 1 . GLY 114 114 6833 1 stop_ save_ save_E._coli_antitoxin_C-terminal_peptide _Entity.Sf_category entity _Entity.Sf_framecode E._coli_antitoxin_C-terminal_peptide _Entity.Entry_ID 6833 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name MazEp(54-77) _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details 'a synthesized peptide' _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; TLAELVNDITPENLHENIDW GEPK ; _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 24 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2890 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID antitoxin 6833 2 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'MazE peptide' . 6833 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID MazEp(54-77) BMRB 6833 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . THR . 6833 2 2 . LEU . 6833 2 3 . ALA . 6833 2 4 . GLU . 6833 2 5 . LEU . 6833 2 6 . VAL . 6833 2 7 . ASN . 6833 2 8 . ASP . 6833 2 9 . ILE . 6833 2 10 . THR . 6833 2 11 . PRO . 6833 2 12 . GLU . 6833 2 13 . ASN . 6833 2 14 . LEU . 6833 2 15 . HIS . 6833 2 16 . GLU . 6833 2 17 . ASN . 6833 2 18 . ILE . 6833 2 19 . ASP . 6833 2 20 . TRP . 6833 2 21 . GLY . 6833 2 22 . GLU . 6833 2 23 . PRO . 6833 2 24 . LYS . 6833 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 . THR 1 1 6833 2 . LEU 2 2 6833 2 . ALA 3 3 6833 2 . GLU 4 4 6833 2 . LEU 5 5 6833 2 . VAL 6 6 6833 2 . ASN 7 7 6833 2 . ASP 8 8 6833 2 . ILE 9 9 6833 2 . THR 10 10 6833 2 . PRO 11 11 6833 2 . GLU 12 12 6833 2 . ASN 13 13 6833 2 . LEU 14 14 6833 2 . HIS 15 15 6833 2 . GLU 16 16 6833 2 . ASN 17 17 6833 2 . ILE 18 18 6833 2 . ASP 19 19 6833 2 . TRP 20 20 6833 2 . GLY 21 21 6833 2 . GLU 22 22 6833 2 . PRO 23 23 6833 2 . LYS 24 24 6833 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 6833 _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 $E._COLI_TOXIN_mRNA_interferase . 562 organism yes . 'E. coli' 'Escherichia coli' . Eubacteria Protista Escherichia coli . . . . . . . . . . . . . . . . . . . . . 6833 1 2 2 $E._coli_antitoxin_C-terminal_peptide . 562 organism yes . 'E. coli' 'Escherichia coli' . Eubacteria Protista Escherichia coli . . . . . . . . . . . . . . . . . . . . . 6833 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 6833 _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 $E._COLI_TOXIN_mRNA_interferase . 'recombinant technology' . 'E. coli' 'E. coli BL21(DE3)' . . . . . . . . . . . . . . . . pet . . pET28a . . . . . . 6833 1 2 2 $E._coli_antitoxin_C-terminal_peptide . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6833 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6833 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'MazF(E24A) mutant' '[U-95% 13C; U-95% 15N]' . . 1 $E._COLI_TOXIN_mRNA_interferase . protein 0.8 . . mM 0.1 . . . 6833 1 2 MazEp(54-77) . . . 2 $E._coli_antitoxin_C-terminal_peptide . protein 1.5 . . mM 0.1 . . . 6833 1 3 NaPi . . . . . . . 20 . . mM . . . . 6833 1 4 NaCl . . . . . . . 100 . . mM . . . . 6833 1 5 DTT . . . . . . . 5 . . mM . . . . 6833 1 6 TCEP . . . . . . . 2 . . mM . . . . 6833 1 7 NaN3 . . . . . . . 1 . . mM . . . . 6833 1 8 AEBSF . . . . . . . 1 . . mM . . . . 6833 1 9 D2O . . . . . . . 10 . . % . . . . 6833 1 10 H2O . . . . . . . 90 . . % . . . . 6833 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6833 _Sample_condition_list.ID 1 _Sample_condition_list.Details '20mM NaPi, 100mM NaCl, 5mM DTT, 2mM TCEP, 1mM NaN3, 1mM AEBSF, 10% D2O (v/v), pH 7.0 at 25 C' 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 pH 7.00 0.05 pH 6833 1 temperature 298 0.1 K 6833 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 6833 _Software.ID 1 _Software.Name XEASY _Software.Version 1.3 _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_VARIAN_INOVA_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_VARIAN_INOVA_spectrometer _NMR_spectrometer.Entry_ID 6833 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity-Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6833 _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 1H15N_HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_VARIAN_INOVA_spectrometer . . . . . . . . . . . . . . . . 6833 1 2 CBCACONNH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_VARIAN_INOVA_spectrometer . . . . . . . . . . . . . . . . 6833 1 3 HNCACB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_VARIAN_INOVA_spectrometer . . . . . . . . . . . . . . . . 6833 1 stop_ save_ save_1H15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H15N_HSQC _NMR_spec_expt.Entry_ID 6833 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 1H15N_HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_VARIAN_INOVA_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'with cryorpobe' save_ save_CBCACONNH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CBCACONNH _NMR_spec_expt.Entry_ID 6833 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name CBCACONNH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_VARIAN_INOVA_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'with cryorpobe' save_ save_HNCACB _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCACB _NMR_spec_expt.Entry_ID 6833 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_VARIAN_INOVA_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'with cryorpobe' save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6833 _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 0.0 . indirect 0.251449530 . . . . . . . . . 6833 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6833 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6833 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6833 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.03 _Assigned_chem_shift_list.Chem_shift_15N_err 0.03 _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 'backone assignment of MazF(E24A) complexed with MazEp(54-77)' _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 1H15N_HSQC 1 $sample_1 isotropic 6833 1 2 CBCACONNH 1 $sample_1 isotropic 6833 1 3 HNCACB 1 $sample_1 isotropic 6833 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 6833 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 HIS CA C 13 56.322 0.03 . . . . . . 0 HIS CA . 6833 1 2 . 1 1 3 3 HIS CB C 13 30.581 0.03 . . . . . . 0 HIS CB . 6833 1 3 . 1 1 4 4 MET H H 1 8.317 0.02 . . . . . . 1 MET HN . 6833 1 4 . 1 1 4 4 MET CA C 13 55.225 0.03 . . . . . . 1 MET CA . 6833 1 5 . 1 1 4 4 MET CB C 13 32.896 0.03 . . . . . . 1 MET CB . 6833 1 6 . 1 1 4 4 MET N N 15 122.219 0.010 . . . . . . 1 MET N . 6833 1 7 . 1 1 5 5 VAL H H 1 8.212 0.02 . . . . . . 2 VAL HN . 6833 1 8 . 1 1 5 5 VAL CA C 13 62.139 0.03 . . . . . . 2 VAL CA . 6833 1 9 . 1 1 5 5 VAL CB C 13 32.768 0.03 . . . . . . 2 VAL CB . 6833 1 10 . 1 1 5 5 VAL N N 15 121.920 0.013 . . . . . . 2 VAL N . 6833 1 11 . 1 1 6 6 SER H H 1 8.473 0.02 . . . . . . 3 SER HN . 6833 1 12 . 1 1 6 6 SER CA C 13 57.796 0.03 . . . . . . 3 SER CA . 6833 1 13 . 1 1 6 6 SER CB C 13 63.687 0.03 . . . . . . 3 SER CB . 6833 1 14 . 1 1 6 6 SER N N 15 119.814 0.038 . . . . . . 3 SER N . 6833 1 15 . 1 1 7 7 ARG H H 1 8.518 0.02 . . . . . . 4 ARG HN . 6833 1 16 . 1 1 7 7 ARG CA C 13 55.600 0.03 . . . . . . 4 ARG CA . 6833 1 17 . 1 1 7 7 ARG CB C 13 30.676 0.03 . . . . . . 4 ARG CB . 6833 1 18 . 1 1 7 7 ARG N N 15 123.760 0.03 . . . . . . 4 ARG N . 6833 1 19 . 1 1 8 8 TYR H H 1 8.271 0.02 . . . . . . 5 TYR HN . 6833 1 20 . 1 1 8 8 TYR CA C 13 57.941 0.03 . . . . . . 5 TYR CA . 6833 1 21 . 1 1 8 8 TYR CB C 13 38.642 0.03 . . . . . . 5 TYR CB . 6833 1 22 . 1 1 8 8 TYR N N 15 122.844 0.012 . . . . . . 5 TYR N . 6833 1 23 . 1 1 9 9 VAL H H 1 7.288 0.02 . . . . . . 6 VAL HN . 6833 1 24 . 1 1 9 9 VAL CA C 13 57.163 0.03 . . . . . . 6 VAL CA . 6833 1 25 . 1 1 9 9 VAL CB C 13 34.663 0.03 . . . . . . 6 VAL CB . 6833 1 26 . 1 1 9 9 VAL N N 15 130.461 0.013 . . . . . . 6 VAL N . 6833 1 27 . 1 1 10 10 PRO CA C 13 62.052 0.03 . . . . . . 7 PRO CA . 6833 1 28 . 1 1 10 10 PRO CB C 13 32.727 0.03 . . . . . . 7 PRO CB . 6833 1 29 . 1 1 11 11 ASP H H 1 8.128 0.02 . . . . . . 8 ASP HN . 6833 1 30 . 1 1 11 11 ASP CA C 13 50.095 0.03 . . . . . . 8 ASP CA . 6833 1 31 . 1 1 11 11 ASP CB C 13 44.717 0.03 . . . . . . 8 ASP CB . 6833 1 32 . 1 1 11 11 ASP N N 15 121.012 0.038 . . . . . . 8 ASP N . 6833 1 33 . 1 1 12 12 MET H H 1 8.590 0.02 . . . . . . 9 MET HN . 6833 1 34 . 1 1 12 12 MET CA C 13 56.513 0.03 . . . . . . 9 MET CA . 6833 1 35 . 1 1 12 12 MET CB C 13 33.336 0.03 . . . . . . 9 MET CB . 6833 1 36 . 1 1 12 12 MET N N 15 121.675 0.012 . . . . . . 9 MET N . 6833 1 37 . 1 1 13 13 GLY H H 1 9.411 0.02 . . . . . . 10 GLY HN . 6833 1 38 . 1 1 13 13 GLY CA C 13 45.035 0.03 . . . . . . 10 GLY CA . 6833 1 39 . 1 1 13 13 GLY N N 15 114.768 0.014 . . . . . . 10 GLY N . 6833 1 40 . 1 1 14 14 ASP H H 1 8.091 0.02 . . . . . . 11 ASP HN . 6833 1 41 . 1 1 14 14 ASP CA C 13 55.084 0.03 . . . . . . 11 ASP CA . 6833 1 42 . 1 1 14 14 ASP CB C 13 40.314 0.03 . . . . . . 11 ASP CB . 6833 1 43 . 1 1 14 14 ASP N N 15 120.077 0.014 . . . . . . 11 ASP N . 6833 1 44 . 1 1 15 15 LEU H H 1 8.500 0.02 . . . . . . 12 LEU HN . 6833 1 45 . 1 1 15 15 LEU CA C 13 53.073 0.03 . . . . . . 12 LEU CA . 6833 1 46 . 1 1 15 15 LEU CB C 13 44.313 0.03 . . . . . . 12 LEU CB . 6833 1 47 . 1 1 15 15 LEU N N 15 123.991 0.03 . . . . . . 12 LEU N . 6833 1 48 . 1 1 16 16 ILE H H 1 9.434 0.02 . . . . . . 13 ILE HN . 6833 1 49 . 1 1 16 16 ILE CA C 13 58.357 0.03 . . . . . . 13 ILE CA . 6833 1 50 . 1 1 16 16 ILE CB C 13 41.971 0.03 . . . . . . 13 ILE CB . 6833 1 51 . 1 1 16 16 ILE N N 15 117.996 0.013 . . . . . . 13 ILE N . 6833 1 52 . 1 1 17 17 TRP H H 1 8.808 0.02 . . . . . . 14 TRP HN . 6833 1 53 . 1 1 17 17 TRP CA C 13 54.829 0.03 . . . . . . 14 TRP CA . 6833 1 54 . 1 1 17 17 TRP CB C 13 30.869 0.03 . . . . . . 14 TRP CB . 6833 1 55 . 1 1 17 17 TRP N N 15 119.612 0.013 . . . . . . 14 TRP N . 6833 1 56 . 1 1 18 18 VAL H H 1 8.696 0.02 . . . . . . 15 VAL HN . 6833 1 57 . 1 1 18 18 VAL CA C 13 61.819 0.03 . . . . . . 15 VAL CA . 6833 1 58 . 1 1 18 18 VAL CB C 13 40.918 0.03 . . . . . . 15 VAL CB . 6833 1 59 . 1 1 18 18 VAL N N 15 120.721 0.03 . . . . . . 15 VAL N . 6833 1 60 . 1 1 19 19 ASP H H 1 8.999 0.02 . . . . . . 16 ASP HN . 6833 1 61 . 1 1 19 19 ASP CA C 13 57.913 0.03 . . . . . . 16 ASP CA . 6833 1 62 . 1 1 19 19 ASP CB C 13 42.441 0.03 . . . . . . 16 ASP CB . 6833 1 63 . 1 1 19 19 ASP N N 15 122.844 0.012 . . . . . . 16 ASP N . 6833 1 64 . 1 1 20 20 PHE H H 1 7.630 0.02 . . . . . . 17 PHE HN . 6833 1 65 . 1 1 20 20 PHE CA C 13 56.997 0.03 . . . . . . 17 PHE CA . 6833 1 66 . 1 1 20 20 PHE CB C 13 41.074 0.03 . . . . . . 17 PHE CB . 6833 1 67 . 1 1 20 20 PHE N N 15 119.353 0.037 . . . . . . 17 PHE N . 6833 1 68 . 1 1 21 21 ASP H H 1 8.238 0.02 . . . . . . 18 ASP HN . 6833 1 69 . 1 1 21 21 ASP CA C 13 49.752 0.03 . . . . . . 18 ASP CA . 6833 1 70 . 1 1 21 21 ASP CB C 13 41.695 0.03 . . . . . . 18 ASP CB . 6833 1 71 . 1 1 21 21 ASP N N 15 126.292 0.010 . . . . . . 18 ASP N . 6833 1 72 . 1 1 22 22 PRO CA C 13 61.944 0.03 . . . . . . 19 PRO CA . 6833 1 73 . 1 1 22 22 PRO CB C 13 32.156 0.03 . . . . . . 19 PRO CB . 6833 1 74 . 1 1 23 23 THR H H 1 8.228 0.02 . . . . . . 20 THR HN . 6833 1 75 . 1 1 23 23 THR CA C 13 63.207 0.03 . . . . . . 20 THR CA . 6833 1 76 . 1 1 23 23 THR CB C 13 69.033 0.03 . . . . . . 20 THR CB . 6833 1 77 . 1 1 23 23 THR N N 15 110.827 0.013 . . . . . . 20 THR N . 6833 1 78 . 1 1 24 24 LYS H H 1 7.476 0.02 . . . . . . 21 LYS HN . 6833 1 79 . 1 1 24 24 LYS CA C 13 55.764 0.03 . . . . . . 21 LYS CA . 6833 1 80 . 1 1 24 24 LYS CB C 13 33.059 0.03 . . . . . . 21 LYS CB . 6833 1 81 . 1 1 24 24 LYS N N 15 120.550 0.038 . . . . . . 21 LYS N . 6833 1 82 . 1 1 25 25 GLY H H 1 7.855 0.02 . . . . . . 22 GLY HN . 6833 1 83 . 1 1 25 25 GLY CA C 13 45.524 0.03 . . . . . . 22 GLY CA . 6833 1 84 . 1 1 25 25 GLY N N 15 107.823 0.014 . . . . . . 22 GLY N . 6833 1 85 . 1 1 26 26 SER H H 1 8.330 0.02 . . . . . . 23 SER HN . 6833 1 86 . 1 1 26 26 SER CA C 13 58.474 0.03 . . . . . . 23 SER CA . 6833 1 87 . 1 1 26 26 SER CB C 13 63.519 0.03 . . . . . . 23 SER CB . 6833 1 88 . 1 1 26 26 SER N N 15 115.681 0.03 . . . . . . 23 SER N . 6833 1 89 . 1 1 27 27 ALA H H 1 8.394 0.02 . . . . . . 24 ALA HN . 6833 1 90 . 1 1 27 27 ALA CA C 13 52.628 0.03 . . . . . . 24 ALA CA . 6833 1 91 . 1 1 27 27 ALA CB C 13 18.837 0.03 . . . . . . 24 ALA CB . 6833 1 92 . 1 1 27 27 ALA N N 15 125.152 0.013 . . . . . . 24 ALA N . 6833 1 93 . 1 1 28 28 GLN H H 1 8.106 0.02 . . . . . . 25 GLN HN . 6833 1 94 . 1 1 28 28 GLN CA C 13 55.865 0.03 . . . . . . 25 GLN CA . 6833 1 95 . 1 1 28 28 GLN CB C 13 29.093 0.03 . . . . . . 25 GLN CB . 6833 1 96 . 1 1 28 28 GLN N N 15 117.967 0.037 . . . . . . 25 GLN N . 6833 1 97 . 1 1 29 29 ALA H H 1 8.176 0.02 . . . . . . 26 ALA HN . 6833 1 98 . 1 1 29 29 ALA CA C 13 52.851 0.03 . . . . . . 26 ALA CA . 6833 1 99 . 1 1 29 29 ALA CB C 13 19.006 0.03 . . . . . . 26 ALA CB . 6833 1 100 . 1 1 29 29 ALA N N 15 123.226 0.008 . . . . . . 26 ALA N . 6833 1 101 . 1 1 30 30 GLY H H 1 8.151 0.02 . . . . . . 27 GLY HN . 6833 1 102 . 1 1 30 30 GLY CA C 13 44.956 0.03 . . . . . . 27 GLY CA . 6833 1 103 . 1 1 30 30 GLY N N 15 107.602 0.03 . . . . . . 27 GLY N . 6833 1 104 . 1 1 31 31 HIS H H 1 7.878 0.02 . . . . . . 28 HIS HN . 6833 1 105 . 1 1 31 31 HIS CA C 13 55.290 0.03 . . . . . . 28 HIS CA . 6833 1 106 . 1 1 31 31 HIS CB C 13 30.473 0.03 . . . . . . 28 HIS CB . 6833 1 107 . 1 1 31 31 HIS N N 15 118.208 0.017 . . . . . . 28 HIS N . 6833 1 108 . 1 1 33 33 PRO CA C 13 62.052 0.03 . . . . . . 30 PRO CA . 6833 1 109 . 1 1 33 33 PRO CB C 13 31.020 0.03 . . . . . . 30 PRO CB . 6833 1 110 . 1 1 34 34 ALA H H 1 9.228 0.02 . . . . . . 31 ALA HN . 6833 1 111 . 1 1 34 34 ALA CA C 13 50.568 0.03 . . . . . . 31 ALA CA . 6833 1 112 . 1 1 34 34 ALA CB C 13 24.076 0.03 . . . . . . 31 ALA CB . 6833 1 113 . 1 1 34 34 ALA N N 15 121.459 0.013 . . . . . . 31 ALA N . 6833 1 114 . 1 1 35 35 VAL H H 1 9.167 0.02 . . . . . . 32 VAL HN . 6833 1 115 . 1 1 35 35 VAL CA C 13 60.797 0.03 . . . . . . 32 VAL CA . 6833 1 116 . 1 1 35 35 VAL CB C 13 33.700 0.03 . . . . . . 32 VAL CB . 6833 1 117 . 1 1 35 35 VAL N N 15 119.367 0.013 . . . . . . 32 VAL N . 6833 1 118 . 1 1 36 36 VAL H H 1 9.143 0.02 . . . . . . 33 VAL HN . 6833 1 119 . 1 1 36 36 VAL CA C 13 63.841 0.03 . . . . . . 33 VAL CA . 6833 1 120 . 1 1 36 36 VAL CB C 13 31.800 0.03 . . . . . . 33 VAL CB . 6833 1 121 . 1 1 36 36 VAL N N 15 127.893 0.038 . . . . . . 33 VAL N . 6833 1 122 . 1 1 37 37 LEU H H 1 9.410 0.02 . . . . . . 34 LEU HN . 6833 1 123 . 1 1 37 37 LEU CA C 13 54.651 0.03 . . . . . . 34 LEU CA . 6833 1 124 . 1 1 37 37 LEU CB C 13 45.466 0.03 . . . . . . 34 LEU CB . 6833 1 125 . 1 1 37 37 LEU N N 15 125.354 0.038 . . . . . . 34 LEU N . 6833 1 126 . 1 1 38 38 SER H H 1 7.428 0.02 . . . . . . 35 SER HN . 6833 1 127 . 1 1 38 38 SER CA C 13 54.892 0.03 . . . . . . 35 SER CA . 6833 1 128 . 1 1 38 38 SER CB C 13 62.750 0.03 . . . . . . 35 SER CB . 6833 1 129 . 1 1 38 38 SER N N 15 109.442 0.013 . . . . . . 35 SER N . 6833 1 130 . 1 1 39 39 PRO CA C 13 62.783 0.03 . . . . . . 36 PRO CA . 6833 1 131 . 1 1 39 39 PRO CB C 13 33.355 0.03 . . . . . . 36 PRO CB . 6833 1 132 . 1 1 40 40 PHE H H 1 8.905 0.02 . . . . . . 37 PHE HN . 6833 1 133 . 1 1 40 40 PHE CA C 13 61.919 0.03 . . . . . . 37 PHE CA . 6833 1 134 . 1 1 40 40 PHE CB C 13 40.258 0.03 . . . . . . 37 PHE CB . 6833 1 135 . 1 1 40 40 PHE N N 15 122.397 0.038 . . . . . . 37 PHE N . 6833 1 136 . 1 1 41 41 MET H H 1 9.471 0.02 . . . . . . 38 MET HN . 6833 1 137 . 1 1 41 41 MET CA C 13 59.202 0.03 . . . . . . 38 MET CA . 6833 1 138 . 1 1 41 41 MET CB C 13 32.142 0.03 . . . . . . 38 MET CB . 6833 1 139 . 1 1 41 41 MET N N 15 115.919 0.013 . . . . . . 38 MET N . 6833 1 140 . 1 1 42 42 TYR H H 1 7.113 0.02 . . . . . . 39 TYR HN . 6833 1 141 . 1 1 42 42 TYR CA C 13 61.389 0.03 . . . . . . 39 TYR CA . 6833 1 142 . 1 1 42 42 TYR CB C 13 39.471 0.03 . . . . . . 39 TYR CB . 6833 1 143 . 1 1 42 42 TYR N N 15 117.781 0.037 . . . . . . 39 TYR N . 6833 1 144 . 1 1 43 43 ASN H H 1 8.303 0.02 . . . . . . 40 ASN HN . 6833 1 145 . 1 1 43 43 ASN CA C 13 54.397 0.03 . . . . . . 40 ASN CA . 6833 1 146 . 1 1 43 43 ASN CB C 13 36.696 0.03 . . . . . . 40 ASN CB . 6833 1 147 . 1 1 43 43 ASN N N 15 123.536 0.013 . . . . . . 40 ASN N . 6833 1 148 . 1 1 44 44 ASN H H 1 9.169 0.02 . . . . . . 41 ASN HN . 6833 1 149 . 1 1 44 44 ASN CA C 13 55.222 0.03 . . . . . . 41 ASN CA . 6833 1 150 . 1 1 44 44 ASN CB C 13 39.734 0.03 . . . . . . 41 ASN CB . 6833 1 151 . 1 1 44 44 ASN N N 15 115.826 0.010 . . . . . . 41 ASN N . 6833 1 152 . 1 1 45 45 LYS H H 1 7.073 0.02 . . . . . . 42 LYS HN . 6833 1 153 . 1 1 45 45 LYS CA C 13 58.008 0.03 . . . . . . 42 LYS CA . 6833 1 154 . 1 1 45 45 LYS CB C 13 33.822 0.03 . . . . . . 42 LYS CB . 6833 1 155 . 1 1 45 45 LYS N N 15 116.121 0.038 . . . . . . 42 LYS N . 6833 1 156 . 1 1 46 46 THR H H 1 7.594 0.02 . . . . . . 43 THR HN . 6833 1 157 . 1 1 46 46 THR CA C 13 62.056 0.03 . . . . . . 43 THR CA . 6833 1 158 . 1 1 46 46 THR CB C 13 71.142 0.03 . . . . . . 43 THR CB . 6833 1 159 . 1 1 46 46 THR N N 15 102.687 0.007 . . . . . . 43 THR N . 6833 1 160 . 1 1 47 47 GLY H H 1 7.638 0.02 . . . . . . 44 GLY HN . 6833 1 161 . 1 1 47 47 GLY CA C 13 45.655 0.03 . . . . . . 44 GLY CA . 6833 1 162 . 1 1 47 47 GLY N N 15 108.757 0.03 . . . . . . 44 GLY N . 6833 1 163 . 1 1 48 48 MET H H 1 8.605 0.02 . . . . . . 45 MET HN . 6833 1 164 . 1 1 48 48 MET CA C 13 53.692 0.03 . . . . . . 45 MET CA . 6833 1 165 . 1 1 48 48 MET CB C 13 35.983 0.03 . . . . . . 45 MET CB . 6833 1 166 . 1 1 48 48 MET N N 15 119.623 0.012 . . . . . . 45 MET N . 6833 1 167 . 1 1 49 49 CYS H H 1 8.885 0.02 . . . . . . 46 CYS HN . 6833 1 168 . 1 1 49 49 CYS CA C 13 55.905 0.03 . . . . . . 46 CYS CA . 6833 1 169 . 1 1 49 49 CYS CB C 13 30.552 0.03 . . . . . . 46 CYS CB . 6833 1 170 . 1 1 49 49 CYS N N 15 108.316 0.037 . . . . . . 46 CYS N . 6833 1 171 . 1 1 50 50 LEU H H 1 8.406 0.02 . . . . . . 47 LEU HN . 6833 1 172 . 1 1 50 50 LEU CA C 13 53.233 0.03 . . . . . . 47 LEU CA . 6833 1 173 . 1 1 50 50 LEU CB C 13 44.669 0.03 . . . . . . 47 LEU CB . 6833 1 174 . 1 1 50 50 LEU N N 15 120.759 0.03 . . . . . . 47 LEU N . 6833 1 175 . 1 1 51 51 CYS H H 1 9.475 0.02 . . . . . . 48 CYS HN . 6833 1 176 . 1 1 51 51 CYS CA C 13 56.078 0.03 . . . . . . 48 CYS CA . 6833 1 177 . 1 1 51 51 CYS CB C 13 33.160 0.03 . . . . . . 48 CYS CB . 6833 1 178 . 1 1 51 51 CYS N N 15 119.381 0.013 . . . . . . 48 CYS N . 6833 1 179 . 1 1 52 52 VAL H H 1 8.487 0.02 . . . . . . 49 VAL HN . 6833 1 180 . 1 1 52 52 VAL CA C 13 57.058 0.03 . . . . . . 49 VAL CA . 6833 1 181 . 1 1 52 52 VAL CB C 13 31.763 0.03 . . . . . . 49 VAL CB . 6833 1 182 . 1 1 52 52 VAL N N 15 110.379 0.013 . . . . . . 49 VAL N . 6833 1 183 . 1 1 53 53 PRO CA C 13 62.141 0.03 . . . . . . 50 PRO CA . 6833 1 184 . 1 1 53 53 PRO CB C 13 33.495 0.03 . . . . . . 50 PRO CB . 6833 1 185 . 1 1 54 54 CYS H H 1 7.676 0.02 . . . . . . 51 CYS HN . 6833 1 186 . 1 1 54 54 CYS CA C 13 56.419 0.03 . . . . . . 51 CYS CA . 6833 1 187 . 1 1 54 54 CYS CB C 13 30.460 0.03 . . . . . . 51 CYS CB . 6833 1 188 . 1 1 54 54 CYS N N 15 114.318 0.038 . . . . . . 51 CYS N . 6833 1 189 . 1 1 55 55 THR H H 1 9.240 0.02 . . . . . . 52 THR HN . 6833 1 190 . 1 1 55 55 THR CA C 13 58.485 0.03 . . . . . . 52 THR CA . 6833 1 191 . 1 1 55 55 THR CB C 13 70.413 0.03 . . . . . . 52 THR CB . 6833 1 192 . 1 1 55 55 THR N N 15 115.688 0.013 . . . . . . 52 THR N . 6833 1 193 . 1 1 56 56 THR H H 1 7.912 0.02 . . . . . . 53 THR HN . 6833 1 194 . 1 1 56 56 THR CA C 13 63.390 0.03 . . . . . . 53 THR CA . 6833 1 195 . 1 1 56 56 THR CB C 13 69.903 0.03 . . . . . . 53 THR CB . 6833 1 196 . 1 1 56 56 THR N N 15 113.626 0.037 . . . . . . 53 THR N . 6833 1 197 . 1 1 57 57 GLN H H 1 7.898 0.02 . . . . . . 54 GLN HN . 6833 1 198 . 1 1 57 57 GLN CA C 13 54.915 0.03 . . . . . . 54 GLN CA . 6833 1 199 . 1 1 57 57 GLN CB C 13 30.721 0.03 . . . . . . 54 GLN CB . 6833 1 200 . 1 1 57 57 GLN N N 15 120.752 0.013 . . . . . . 54 GLN N . 6833 1 201 . 1 1 58 58 SER H H 1 8.507 0.02 . . . . . . 55 SER HN . 6833 1 202 . 1 1 58 58 SER CA C 13 56.848 0.03 . . . . . . 55 SER CA . 6833 1 203 . 1 1 58 58 SER CB C 13 63.746 0.03 . . . . . . 55 SER CB . 6833 1 204 . 1 1 58 58 SER N N 15 117.088 0.038 . . . . . . 55 SER N . 6833 1 205 . 1 1 59 59 LYS H H 1 10.640 0.02 . . . . . . 56 LYS HN . 6833 1 206 . 1 1 59 59 LYS CA C 13 55.418 0.03 . . . . . . 56 LYS CA . 6833 1 207 . 1 1 59 59 LYS CB C 13 35.478 0.03 . . . . . . 56 LYS CB . 6833 1 208 . 1 1 59 59 LYS N N 15 127.013 0.038 . . . . . . 56 LYS N . 6833 1 209 . 1 1 60 60 GLY H H 1 8.837 0.02 . . . . . . 57 GLY HN . 6833 1 210 . 1 1 60 60 GLY CA C 13 45.377 0.03 . . . . . . 57 GLY CA . 6833 1 211 . 1 1 60 60 GLY N N 15 109.449 0.03 . . . . . . 57 GLY N . 6833 1 212 . 1 1 61 61 TYR H H 1 7.385 0.02 . . . . . . 58 TYR HN . 6833 1 213 . 1 1 61 61 TYR CA C 13 54.509 0.03 . . . . . . 58 TYR CA . 6833 1 214 . 1 1 61 61 TYR CB C 13 39.313 0.03 . . . . . . 58 TYR CB . 6833 1 215 . 1 1 61 61 TYR N N 15 121.682 0.03 . . . . . . 58 TYR N . 6833 1 216 . 1 1 62 62 PRO CA C 13 64.144 0.03 . . . . . . 59 PRO CA . 6833 1 217 . 1 1 62 62 PRO CB C 13 28.935 0.03 . . . . . . 59 PRO CB . 6833 1 218 . 1 1 63 63 PHE H H 1 5.574 0.02 . . . . . . 60 PHE HN . 6833 1 219 . 1 1 63 63 PHE CA C 13 58.571 0.003 . . . . . . 60 PHE CA . 6833 1 220 . 1 1 63 63 PHE CB C 13 38.763 0.03 . . . . . . 60 PHE CB . 6833 1 221 . 1 1 63 63 PHE N N 15 110.368 0.008 . . . . . . 60 PHE N . 6833 1 222 . 1 1 64 64 GLU H H 1 7.631 0.02 . . . . . . 61 GLU HN . 6833 1 223 . 1 1 64 64 GLU CA C 13 56.041 0.03 . . . . . . 61 GLU CA . 6833 1 224 . 1 1 64 64 GLU CB C 13 30.908 0.03 . . . . . . 61 GLU CB . 6833 1 225 . 1 1 64 64 GLU N N 15 118.703 0.037 . . . . . . 61 GLU N . 6833 1 226 . 1 1 65 65 VAL H H 1 9.093 0.02 . . . . . . 62 VAL HN . 6833 1 227 . 1 1 65 65 VAL CA C 13 62.344 0.03 . . . . . . 62 VAL CA . 6833 1 228 . 1 1 65 65 VAL CB C 13 35.225 0.03 . . . . . . 62 VAL CB . 6833 1 229 . 1 1 65 65 VAL N N 15 122.166 0.038 . . . . . . 62 VAL N . 6833 1 230 . 1 1 66 66 VAL H H 1 8.666 0.02 . . . . . . 63 VAL HN . 6833 1 231 . 1 1 66 66 VAL CA C 13 63.726 0.03 . . . . . . 63 VAL CA . 6833 1 232 . 1 1 66 66 VAL CB C 13 31.684 0.03 . . . . . . 63 VAL CB . 6833 1 233 . 1 1 66 66 VAL N N 15 128.859 0.037 . . . . . . 63 VAL N . 6833 1 234 . 1 1 67 67 LEU H H 1 8.823 0.02 . . . . . . 64 LEU HN . 6833 1 235 . 1 1 67 67 LEU CA C 13 52.697 0.03 . . . . . . 64 LEU CA . 6833 1 236 . 1 1 67 67 LEU CB C 13 41.291 0.03 . . . . . . 64 LEU CB . 6833 1 237 . 1 1 67 67 LEU N N 15 127.684 0.03 . . . . . . 64 LEU N . 6833 1 238 . 1 1 68 68 SER H H 1 9.414 0.02 . . . . . . 65 SER HN . 6833 1 239 . 1 1 68 68 SER CA C 13 59.232 0.03 . . . . . . 65 SER CA . 6833 1 240 . 1 1 68 68 SER CB C 13 63.774 0.03 . . . . . . 65 SER CB . 6833 1 241 . 1 1 68 68 SER N N 15 121.199 0.038 . . . . . . 65 SER N . 6833 1 242 . 1 1 69 69 GLY H H 1 8.971 0.02 . . . . . . 66 GLY HN . 6833 1 243 . 1 1 69 69 GLY CA C 13 45.663 0.03 . . . . . . 66 GLY CA . 6833 1 244 . 1 1 69 69 GLY N N 15 110.824 0.014 . . . . . . 66 GLY N . 6833 1 245 . 1 1 70 70 GLN H H 1 7.648 0.02 . . . . . . 67 GLN HN . 6833 1 246 . 1 1 70 70 GLN CA C 13 53.361 0.03 . . . . . . 67 GLN CA . 6833 1 247 . 1 1 70 70 GLN CB C 13 28.493 0.03 . . . . . . 67 GLN CB . 6833 1 248 . 1 1 70 70 GLN N N 15 117.307 0.014 . . . . . . 67 GLN N . 6833 1 249 . 1 1 71 71 GLU H H 1 8.781 0.02 . . . . . . 68 GLU HN . 6833 1 250 . 1 1 71 71 GLU CA C 13 58.069 0.03 . . . . . . 68 GLU CA . 6833 1 251 . 1 1 71 71 GLU CB C 13 30.044 0.03 . . . . . . 68 GLU CB . 6833 1 252 . 1 1 71 71 GLU N N 15 123.306 0.013 . . . . . . 68 GLU N . 6833 1 253 . 1 1 72 72 ARG H H 1 8.034 0.02 . . . . . . 69 ARG HN . 6833 1 254 . 1 1 72 72 ARG CA C 13 55.143 0.03 . . . . . . 69 ARG CA . 6833 1 255 . 1 1 72 72 ARG CB C 13 32.034 0.03 . . . . . . 69 ARG CB . 6833 1 256 . 1 1 72 72 ARG N N 15 116.611 0.013 . . . . . . 69 ARG N . 6833 1 257 . 1 1 73 73 ASP H H 1 8.460 0.02 . . . . . . 70 ASP HN . 6833 1 258 . 1 1 73 73 ASP CA C 13 54.767 0.03 . . . . . . 70 ASP CA . 6833 1 259 . 1 1 73 73 ASP CB C 13 40.568 0.03 . . . . . . 70 ASP CB . 6833 1 260 . 1 1 73 73 ASP N N 15 118.682 0.03 . . . . . . 70 ASP N . 6833 1 261 . 1 1 74 74 GLY H H 1 8.104 0.02 . . . . . . 71 GLY HN . 6833 1 262 . 1 1 74 74 GLY CA C 13 46.056 0.03 . . . . . . 71 GLY CA . 6833 1 263 . 1 1 74 74 GLY N N 15 103.688 0.013 . . . . . . 71 GLY N . 6833 1 264 . 1 1 75 75 VAL H H 1 8.020 0.02 . . . . . . 72 VAL HN . 6833 1 265 . 1 1 75 75 VAL CA C 13 60.854 0.03 . . . . . . 72 VAL CA . 6833 1 266 . 1 1 75 75 VAL CB C 13 33.253 0.03 . . . . . . 72 VAL CB . 6833 1 267 . 1 1 75 75 VAL N N 15 119.605 0.03 . . . . . . 72 VAL N . 6833 1 268 . 1 1 76 76 ALA H H 1 9.230 0.02 . . . . . . 73 ALA HN . 6833 1 269 . 1 1 76 76 ALA CA C 13 50.694 0.03 . . . . . . 73 ALA CA . 6833 1 270 . 1 1 76 76 ALA CB C 13 20.053 0.03 . . . . . . 73 ALA CB . 6833 1 271 . 1 1 76 76 ALA N N 15 128.600 0.013 . . . . . . 73 ALA N . 6833 1 272 . 1 1 77 77 LEU H H 1 8.242 0.02 . . . . . . 74 LEU HN . 6833 1 273 . 1 1 77 77 LEU CA C 13 52.332 0.03 . . . . . . 74 LEU CA . 6833 1 274 . 1 1 77 77 LEU CB C 13 39.402 0.03 . . . . . . 74 LEU CB . 6833 1 275 . 1 1 77 77 LEU N N 15 121.849 0.012 . . . . . . 74 LEU N . 6833 1 276 . 1 1 78 78 ALA H H 1 8.038 0.02 . . . . . . 75 ALA HN . 6833 1 277 . 1 1 78 78 ALA CA C 13 55.069 0.03 . . . . . . 75 ALA CA . 6833 1 278 . 1 1 78 78 ALA CB C 13 20.896 0.03 . . . . . . 75 ALA CB . 6833 1 279 . 1 1 78 78 ALA N N 15 123.507 0.038 . . . . . . 75 ALA N . 6833 1 280 . 1 1 79 79 ASP H H 1 8.750 0.02 . . . . . . 76 ASP HN . 6833 1 281 . 1 1 79 79 ASP CA C 13 53.263 0.03 . . . . . . 76 ASP CA . 6833 1 282 . 1 1 79 79 ASP CB C 13 37.766 0.03 . . . . . . 76 ASP CB . 6833 1 283 . 1 1 79 79 ASP N N 15 103.195 0.038 . . . . . . 76 ASP N . 6833 1 284 . 1 1 80 80 GLN H H 1 7.391 0.02 . . . . . . 77 GLN HN . 6833 1 285 . 1 1 80 80 GLN CA C 13 55.632 0.03 . . . . . . 77 GLN CA . 6833 1 286 . 1 1 80 80 GLN CB C 13 27.488 0.03 . . . . . . 77 GLN CB . 6833 1 287 . 1 1 80 80 GLN N N 15 122.382 0.013 . . . . . . 77 GLN N . 6833 1 288 . 1 1 81 81 VAL H H 1 6.349 0.02 . . . . . . 78 VAL HN . 6833 1 289 . 1 1 81 81 VAL CA C 13 62.420 0.03 . . . . . . 78 VAL CA . 6833 1 290 . 1 1 81 81 VAL CB C 13 31.562 0.03 . . . . . . 78 VAL CB . 6833 1 291 . 1 1 81 81 VAL N N 15 117.506 0.038 . . . . . . 78 VAL N . 6833 1 292 . 1 1 82 82 LYS H H 1 8.908 0.02 . . . . . . 79 LYS HN . 6833 1 293 . 1 1 82 82 LYS CA C 13 54.269 0.03 . . . . . . 79 LYS CA . 6833 1 294 . 1 1 82 82 LYS CB C 13 36.007 0.03 . . . . . . 79 LYS CB . 6833 1 295 . 1 1 82 82 LYS N N 15 121.474 0.037 . . . . . . 79 LYS N . 6833 1 296 . 1 1 83 83 SER H H 1 8.149 0.02 . . . . . . 80 SER HN . 6833 1 297 . 1 1 83 83 SER CA C 13 56.345 0.03 . . . . . . 80 SER CA . 6833 1 298 . 1 1 83 83 SER CB C 13 62.903 0.03 . . . . . . 80 SER CB . 6833 1 299 . 1 1 83 83 SER N N 15 116.143 0.03 . . . . . . 80 SER N . 6833 1 300 . 1 1 84 84 ILE CA C 13 57.951 0.03 . . . . . . 81 ILE CA . 6833 1 301 . 1 1 84 84 ILE CB C 13 42.372 0.03 . . . . . . 81 ILE CB . 6833 1 302 . 1 1 85 85 ALA H H 1 8.763 0.02 . . . . . . 82 ALA HN . 6833 1 303 . 1 1 85 85 ALA CA C 13 50.281 0.03 . . . . . . 82 ALA CA . 6833 1 304 . 1 1 85 85 ALA CB C 13 16.593 0.03 . . . . . . 82 ALA CB . 6833 1 305 . 1 1 85 85 ALA N N 15 128.831 0.013 . . . . . . 82 ALA N . 6833 1 306 . 1 1 86 86 TRP H H 1 7.224 0.02 . . . . . . 83 TRP HN . 6833 1 307 . 1 1 86 86 TRP CA C 13 59.163 0.03 . . . . . . 83 TRP CA . 6833 1 308 . 1 1 86 86 TRP CB C 13 27.746 0.03 . . . . . . 83 TRP CB . 6833 1 309 . 1 1 86 86 TRP N N 15 122.144 0.03 . . . . . . 83 TRP N . 6833 1 310 . 1 1 87 87 ARG H H 1 5.974 0.02 . . . . . . 84 ARG HN . 6833 1 311 . 1 1 87 87 ARG CA C 13 59.546 0.03 . . . . . . 84 ARG CA . 6833 1 312 . 1 1 87 87 ARG CB C 13 28.803 0.03 . . . . . . 84 ARG CB . 6833 1 313 . 1 1 87 87 ARG N N 15 124.661 0.037 . . . . . . 84 ARG N . 6833 1 314 . 1 1 88 88 ALA H H 1 8.011 0.02 . . . . . . 85 ALA HN . 6833 1 315 . 1 1 88 88 ALA CA C 13 54.082 0.03 . . . . . . 85 ALA CA . 6833 1 316 . 1 1 88 88 ALA CB C 13 18.640 0.03 . . . . . . 85 ALA CB . 6833 1 317 . 1 1 88 88 ALA N N 15 122.858 0.037 . . . . . . 85 ALA N . 6833 1 318 . 1 1 89 89 ARG H H 1 7.560 0.02 . . . . . . 86 ARG HN . 6833 1 319 . 1 1 89 89 ARG CA C 13 56.693 0.03 . . . . . . 86 ARG CA . 6833 1 320 . 1 1 89 89 ARG CB C 13 31.285 0.03 . . . . . . 86 ARG CB . 6833 1 321 . 1 1 89 89 ARG N N 15 113.142 0.03 . . . . . . 86 ARG N . 6833 1 322 . 1 1 90 90 GLY H H 1 7.788 0.02 . . . . . . 87 GLY HN . 6833 1 323 . 1 1 90 90 GLY CA C 13 45.837 0.03 . . . . . . 87 GLY CA . 6833 1 324 . 1 1 90 90 GLY N N 15 108.766 0.013 . . . . . . 87 GLY N . 6833 1 325 . 1 1 91 91 ALA H H 1 8.237 0.02 . . . . . . 88 ALA HN . 6833 1 326 . 1 1 91 91 ALA CA C 13 52.235 0.03 . . . . . . 88 ALA CA . 6833 1 327 . 1 1 91 91 ALA CB C 13 21.920 0.03 . . . . . . 88 ALA CB . 6833 1 328 . 1 1 91 91 ALA N N 15 121.231 0.014 . . . . . . 88 ALA N . 6833 1 329 . 1 1 92 92 THR CA C 13 60.715 0.03 . . . . . . 89 THR CA . 6833 1 330 . 1 1 92 92 THR CB C 13 71.861 0.03 . . . . . . 89 THR CB . 6833 1 331 . 1 1 93 93 LYS H H 1 8.136 0.02 . . . . . . 90 LYS HN . 6833 1 332 . 1 1 93 93 LYS CA C 13 57.577 0.03 . . . . . . 90 LYS CA . 6833 1 333 . 1 1 93 93 LYS CB C 13 32.664 0.03 . . . . . . 90 LYS CB . 6833 1 334 . 1 1 93 93 LYS N N 15 126.476 0.015 . . . . . . 90 LYS N . 6833 1 335 . 1 1 94 94 LYS H H 1 9.264 0.02 . . . . . . 91 LYS HN . 6833 1 336 . 1 1 94 94 LYS CA C 13 54.562 0.03 . . . . . . 91 LYS CA . 6833 1 337 . 1 1 94 94 LYS CB C 13 33.066 0.03 . . . . . . 91 LYS CB . 6833 1 338 . 1 1 94 94 LYS N N 15 127.691 0.013 . . . . . . 91 LYS N . 6833 1 339 . 1 1 95 95 GLY H H 1 7.729 0.02 . . . . . . 92 GLY HN . 6833 1 340 . 1 1 95 95 GLY CA C 13 45.327 0.03 . . . . . . 92 GLY CA . 6833 1 341 . 1 1 95 95 GLY N N 15 107.372 0.03 . . . . . . 92 GLY N . 6833 1 342 . 1 1 96 96 THR H H 1 8.499 0.02 . . . . . . 93 THR HN . 6833 1 343 . 1 1 96 96 THR CA C 13 60.577 0.03 . . . . . . 93 THR CA . 6833 1 344 . 1 1 96 96 THR CB C 13 72.055 0.03 . . . . . . 93 THR CB . 6833 1 345 . 1 1 96 96 THR N N 15 114.537 0.014 . . . . . . 93 THR N . 6833 1 346 . 1 1 97 97 VAL H H 1 8.625 0.02 . . . . . . 94 VAL HN . 6833 1 347 . 1 1 97 97 VAL CA C 13 59.481 0.03 . . . . . . 94 VAL CA . 6833 1 348 . 1 1 97 97 VAL CB C 13 31.798 0.03 . . . . . . 94 VAL CB . 6833 1 349 . 1 1 97 97 VAL N N 15 116.626 0.038 . . . . . . 94 VAL N . 6833 1 350 . 1 1 98 98 ALA H H 1 8.505 0.02 . . . . . . 95 ALA HN . 6833 1 351 . 1 1 98 98 ALA CA C 13 50.460 0.03 . . . . . . 95 ALA CA . 6833 1 352 . 1 1 98 98 ALA CB C 13 17.640 0.03 . . . . . . 95 ALA CB . 6833 1 353 . 1 1 98 98 ALA N N 15 125.585 0.037 . . . . . . 95 ALA N . 6833 1 354 . 1 1 99 99 PRO CA C 13 65.708 0.03 . . . . . . 96 PRO CA . 6833 1 355 . 1 1 99 99 PRO CB C 13 32.090 0.03 . . . . . . 96 PRO CB . 6833 1 356 . 1 1 100 100 GLU H H 1 9.643 0.02 . . . . . . 97 GLU HN . 6833 1 357 . 1 1 100 100 GLU CA C 13 59.734 0.03 . . . . . . 97 GLU CA . 6833 1 358 . 1 1 100 100 GLU CB C 13 28.523 0.03 . . . . . . 97 GLU CB . 6833 1 359 . 1 1 100 100 GLU N N 15 116.121 0.038 . . . . . . 97 GLU N . 6833 1 360 . 1 1 101 101 GLU H H 1 7.264 0.02 . . . . . . 98 GLU HN . 6833 1 361 . 1 1 101 101 GLU CA C 13 58.277 0.03 . . . . . . 98 GLU CA . 6833 1 362 . 1 1 101 101 GLU CB C 13 28.612 0.03 . . . . . . 98 GLU CB . 6833 1 363 . 1 1 101 101 GLU N N 15 120.089 0.037 . . . . . . 98 GLU N . 6833 1 364 . 1 1 102 102 LEU H H 1 7.789 0.02 . . . . . . 99 LEU HN . 6833 1 365 . 1 1 102 102 LEU CA C 13 57.653 0.03 . . . . . . 99 LEU CA . 6833 1 366 . 1 1 102 102 LEU CB C 13 41.631 0.03 . . . . . . 99 LEU CB . 6833 1 367 . 1 1 102 102 LEU N N 15 119.857 0.037 . . . . . . 99 LEU N . 6833 1 368 . 1 1 103 103 GLN H H 1 8.209 0.02 . . . . . . 100 GLN HN . 6833 1 369 . 1 1 103 103 GLN CA C 13 58.516 0.03 . . . . . . 100 GLN CA . 6833 1 370 . 1 1 103 103 GLN CB C 13 28.166 0.03 . . . . . . 100 GLN CB . 6833 1 371 . 1 1 103 103 GLN N N 15 115.681 0.03 . . . . . . 100 GLN N . 6833 1 372 . 1 1 104 104 LEU H H 1 7.595 0.02 . . . . . . 101 LEU HN . 6833 1 373 . 1 1 104 104 LEU CA C 13 57.542 0.03 . . . . . . 101 LEU CA . 6833 1 374 . 1 1 104 104 LEU CB C 13 41.956 0.03 . . . . . . 101 LEU CB . 6833 1 375 . 1 1 104 104 LEU N N 15 121.675 0.012 . . . . . . 101 LEU N . 6833 1 376 . 1 1 105 105 ILE H H 1 8.067 0.02 . . . . . . 102 ILE HN . 6833 1 377 . 1 1 105 105 ILE CA C 13 65.972 0.03 . . . . . . 102 ILE CA . 6833 1 378 . 1 1 105 105 ILE CB C 13 38.457 0.03 . . . . . . 102 ILE CB . 6833 1 379 . 1 1 105 105 ILE N N 15 118.906 0.013 . . . . . . 102 ILE N . 6833 1 380 . 1 1 106 106 LYS H H 1 8.103 0.02 . . . . . . 103 LYS HN . 6833 1 381 . 1 1 106 106 LYS CA C 13 60.616 0.03 . . . . . . 103 LYS CA . 6833 1 382 . 1 1 106 106 LYS CB C 13 32.892 0.03 . . . . . . 103 LYS CB . 6833 1 383 . 1 1 106 106 LYS N N 15 116.396 0.037 . . . . . . 103 LYS N . 6833 1 384 . 1 1 107 107 ALA H H 1 8.475 0.02 . . . . . . 104 ALA HN . 6833 1 385 . 1 1 107 107 ALA CA C 13 54.932 0.03 . . . . . . 104 ALA CA . 6833 1 386 . 1 1 107 107 ALA CB C 13 18.213 0.03 . . . . . . 104 ALA CB . 6833 1 387 . 1 1 107 107 ALA N N 15 121.920 0.013 . . . . . . 104 ALA N . 6833 1 388 . 1 1 108 108 LYS H H 1 7.892 0.02 . . . . . . 105 LYS HN . 6833 1 389 . 1 1 108 108 LYS CA C 13 59.678 0.03 . . . . . . 105 LYS CA . 6833 1 390 . 1 1 108 108 LYS CB C 13 33.249 0.03 . . . . . . 105 LYS CB . 6833 1 391 . 1 1 108 108 LYS N N 15 117.953 0.039 . . . . . . 105 LYS N . 6833 1 392 . 1 1 109 109 ILE H H 1 7.823 0.02 . . . . . . 106 ILE HN . 6833 1 393 . 1 1 109 109 ILE CA C 13 65.723 0.03 . . . . . . 106 ILE CA . 6833 1 394 . 1 1 109 109 ILE CB C 13 37.798 0.03 . . . . . . 106 ILE CB . 6833 1 395 . 1 1 109 109 ILE N N 15 118.891 0.038 . . . . . . 106 ILE N . 6833 1 396 . 1 1 110 110 ASN H H 1 8.410 0.02 . . . . . . 107 ASN HN . 6833 1 397 . 1 1 110 110 ASN CA C 13 56.613 0.03 . . . . . . 107 ASN CA . 6833 1 398 . 1 1 110 110 ASN CB C 13 39.210 0.03 . . . . . . 107 ASN CB . 6833 1 399 . 1 1 110 110 ASN N N 15 117.549 0.037 . . . . . . 107 ASN N . 6833 1 400 . 1 1 111 111 VAL H H 1 7.488 0.02 . . . . . . 108 VAL HN . 6833 1 401 . 1 1 111 111 VAL CA C 13 64.638 0.03 . . . . . . 108 VAL CA . 6833 1 402 . 1 1 111 111 VAL CB C 13 31.555 0.03 . . . . . . 108 VAL CB . 6833 1 403 . 1 1 111 111 VAL N N 15 116.367 0.013 . . . . . . 108 VAL N . 6833 1 404 . 1 1 112 112 LEU H H 1 7.296 0.02 . . . . . . 109 LEU HN . 6833 1 405 . 1 1 112 112 LEU CA C 13 57.058 0.03 . . . . . . 109 LEU CA . 6833 1 406 . 1 1 112 112 LEU CB C 13 43.580 0.03 . . . . . . 109 LEU CB . 6833 1 407 . 1 1 112 112 LEU N N 15 120.738 0.037 . . . . . . 109 LEU N . 6833 1 408 . 1 1 113 113 ILE H H 1 7.905 0.02 . . . . . . 110 ILE HN . 6833 1 409 . 1 1 113 113 ILE CA C 13 61.315 0.03 . . . . . . 110 ILE CA . 6833 1 410 . 1 1 113 113 ILE CB C 13 39.218 0.03 . . . . . . 110 ILE CB . 6833 1 411 . 1 1 113 113 ILE N N 15 109.211 0.013 . . . . . . 110 ILE N . 6833 1 412 . 1 1 114 114 GLY H H 1 7.687 0.02 . . . . . . 111 GLY HN . 6833 1 413 . 1 1 114 114 GLY CA C 13 46.732 0.03 . . . . . . 111 GLY CA . 6833 1 414 . 1 1 114 114 GLY N N 15 115.229 0.013 . . . . . . 111 GLY N . 6833 1 stop_ save_