data_17837 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17837 _Entry.Title ; The assigned chemical shifts for the structured forms of apo-IscU ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-08-07 _Entry.Accession_date 2011-08-07 _Entry.Last_release_date 2012-02-28 _Entry.Original_release_date 2012-02-28 _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 'Jin Hae' Kim . . . 17837 2 Marco Tonelli . . . 17837 3 John Markley . L. . 17837 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17837 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 69 17837 '15N chemical shifts' 91 17837 '1H chemical shifts' 96 17837 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 . . 2012-02-28 2011-08-07 original author . 17837 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17836 IscU 17837 BMRB 17844 IscU:IscS 17837 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17837 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22203963 _Citation.Full_citation . _Citation.Title 'Disordered form of the scaffold protein IscU is the substrate for iron-sulfur cluster assembly on cysteine desulfurase' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full . _Citation.Journal_volume 109 _Citation.Journal_issue 2 _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 454 _Citation.Page_last 459 _Citation.Year 2012 _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 'Jin Hae' Kim . . . 17837 1 2 Marco Tonelli . . . 17837 1 3 John Markley . L. . 17837 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17837 _Assembly.ID 1 _Assembly.Name IscU _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 13716 _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 IscU 1 $IscU A . yes native yes yes . . . 17837 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_IscU _Entity.Sf_category entity _Entity.Sf_framecode IscU _Entity.Entry_ID 17837 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name IscU _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 ; MAYSEKVIDHYENPRNVGSF DNNDENVGSGMVGAPACGDV MKLQIKVNDEGIIEDARFKT YGCGSAIASSSLVTEWVKGK SLDEAQAIKNTDIAEELELP PVKIHCSILAEDAIKAAIAD YKSKREAK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 128 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15967 . IscU(D39A) . . . . . 100.00 128 99.22 99.22 7.28e-86 . . . . 17837 1 2 no BMRB 16245 . IscU . . . . . 100.00 130 100.00 100.00 5.35e-87 . . . . 17837 1 3 no BMRB 16603 . IscU . . . . . 100.00 128 99.22 99.22 7.28e-86 . . . . 17837 1 4 no BMRB 17282 . IscU . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17837 1 5 no BMRB 17836 . IscU . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17837 1 6 no BMRB 17844 . IscU . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17837 1 7 no BMRB 18359 . IscU(D39V) . . . . . 100.00 128 99.22 99.22 1.14e-85 . . . . 17837 1 8 no BMRB 18360 . IscU(E111A) . . . . . 100.00 128 99.22 99.22 4.08e-86 . . . . 17837 1 9 no BMRB 18361 . IscU(N90A) . . . . . 100.00 128 99.22 99.22 6.11e-86 . . . . 17837 1 10 no BMRB 18362 . IscU(S107A) . . . . . 100.00 128 99.22 100.00 1.92e-86 . . . . 17837 1 11 no BMRB 18381 . IscU . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17837 1 12 no BMRB 18750 . IscU . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17837 1 13 no BMRB 18754 . IscU . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17837 1 14 no PDB 2KQK . "Solution Structure Of Apo-Iscu(D39a)" . . . . . 100.00 128 99.22 99.22 7.28e-86 . . . . 17837 1 15 no PDB 2L4X . "Solution Structure Of Apo-Iscu(Wt)" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17837 1 16 no PDB 3LVL . "Crystal Structure Of E.Coli Iscs-Iscu Complex" . . . . . 99.22 129 100.00 100.00 6.18e-86 . . . . 17837 1 17 no DBJ BAA16423 . "scaffold protein [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17837 1 18 no DBJ BAB36818 . "NifU-like protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17837 1 19 no DBJ BAG78339 . "conserved hypothetical protein [Escherichia coli SE11]" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17837 1 20 no DBJ BAH64655 . "hypothetical protein KP1_4113 [Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044]" . . . . . 100.00 128 97.66 100.00 6.26e-85 . . . . 17837 1 21 no DBJ BAI26774 . "scaffold protein IscU [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17837 1 22 no EMBL CAD02745 . "NifU-like protein [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 128 98.44 100.00 1.03e-85 . . . . 17837 1 23 no EMBL CAP76981 . "NifU-like protein [Escherichia coli LF82]" . . . . . 100.00 128 99.22 99.22 3.35e-86 . . . . 17837 1 24 no EMBL CAQ32902 . "scaffold protein involved in iron-sulfur cluster assembly [Escherichia coli BL21(DE3)]" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17837 1 25 no EMBL CAQ88187 . "scaffold protein [Escherichia fergusonii ATCC 35469]" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17837 1 26 no EMBL CAQ99420 . "scaffold protein [Escherichia coli IAI1]" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17837 1 27 no GB AAC75582 . "iron-sulfur cluster assembly scaffold protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17837 1 28 no GB AAG57643 . "orf, hypothetical protein [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17837 1 29 no GB AAL21436 . "NifU homolog [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 100.00 128 98.44 100.00 1.03e-85 . . . . 17837 1 30 no GB AAN44075 . "conserved hypothetical protein [Shigella flexneri 2a str. 301]" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17837 1 31 no GB AAN81505 . "NifU-like protein [Escherichia coli CFT073]" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17837 1 32 no PIR AE0824 . "NifU-like protein [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" . . . . . 100.00 128 98.44 100.00 1.03e-85 . . . . 17837 1 33 no REF NP_311422 . "scaffold protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17837 1 34 no REF NP_417024 . "iron-sulfur cluster assembly scaffold protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17837 1 35 no REF NP_457073 . "NifU-like protein [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 128 98.44 100.00 1.03e-85 . . . . 17837 1 36 no REF NP_461477 . "iron-sulfur cluster assembly scaffold protein [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 100.00 128 98.44 100.00 1.03e-85 . . . . 17837 1 37 no REF NP_708368 . "scaffold protein [Shigella flexneri 2a str. 301]" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17837 1 38 no SP P0ACD4 . "RecName: Full=Iron-sulfur cluster assembly scaffold protein IscU; AltName: Full=Sulfur acceptor protein IscU" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17837 1 39 no SP P0ACD5 . "RecName: Full=Iron-sulfur cluster assembly scaffold protein IscU; AltName: Full=Sulfur acceptor protein IscU" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17837 1 40 no SP P0ACD6 . "RecName: Full=Iron-sulfur cluster assembly scaffold protein IscU; AltName: Full=Sulfur acceptor protein IscU" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17837 1 41 no SP P0ACD7 . "RecName: Full=Iron-sulfur cluster assembly scaffold protein IscU; AltName: Full=Sulfur acceptor protein IscU" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17837 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Iron-sulfur cluster scaffolding protein' 17837 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 1 MET . 17837 1 2 2 ALA . 17837 1 3 3 TYR . 17837 1 4 4 SER . 17837 1 5 5 GLU . 17837 1 6 6 LYS . 17837 1 7 7 VAL . 17837 1 8 8 ILE . 17837 1 9 9 ASP . 17837 1 10 10 HIS . 17837 1 11 11 TYR . 17837 1 12 12 GLU . 17837 1 13 13 ASN . 17837 1 14 14 PRO . 17837 1 15 15 ARG . 17837 1 16 16 ASN . 17837 1 17 17 VAL . 17837 1 18 18 GLY . 17837 1 19 19 SER . 17837 1 20 20 PHE . 17837 1 21 21 ASP . 17837 1 22 22 ASN . 17837 1 23 23 ASN . 17837 1 24 24 ASP . 17837 1 25 25 GLU . 17837 1 26 26 ASN . 17837 1 27 27 VAL . 17837 1 28 28 GLY . 17837 1 29 29 SER . 17837 1 30 30 GLY . 17837 1 31 31 MET . 17837 1 32 32 VAL . 17837 1 33 33 GLY . 17837 1 34 34 ALA . 17837 1 35 35 PRO . 17837 1 36 36 ALA . 17837 1 37 37 CYS . 17837 1 38 38 GLY . 17837 1 39 39 ASP . 17837 1 40 40 VAL . 17837 1 41 41 MET . 17837 1 42 42 LYS . 17837 1 43 43 LEU . 17837 1 44 44 GLN . 17837 1 45 45 ILE . 17837 1 46 46 LYS . 17837 1 47 47 VAL . 17837 1 48 48 ASN . 17837 1 49 49 ASP . 17837 1 50 50 GLU . 17837 1 51 51 GLY . 17837 1 52 52 ILE . 17837 1 53 53 ILE . 17837 1 54 54 GLU . 17837 1 55 55 ASP . 17837 1 56 56 ALA . 17837 1 57 57 ARG . 17837 1 58 58 PHE . 17837 1 59 59 LYS . 17837 1 60 60 THR . 17837 1 61 61 TYR . 17837 1 62 62 GLY . 17837 1 63 63 CYS . 17837 1 64 64 GLY . 17837 1 65 65 SER . 17837 1 66 66 ALA . 17837 1 67 67 ILE . 17837 1 68 68 ALA . 17837 1 69 69 SER . 17837 1 70 70 SER . 17837 1 71 71 SER . 17837 1 72 72 LEU . 17837 1 73 73 VAL . 17837 1 74 74 THR . 17837 1 75 75 GLU . 17837 1 76 76 TRP . 17837 1 77 77 VAL . 17837 1 78 78 LYS . 17837 1 79 79 GLY . 17837 1 80 80 LYS . 17837 1 81 81 SER . 17837 1 82 82 LEU . 17837 1 83 83 ASP . 17837 1 84 84 GLU . 17837 1 85 85 ALA . 17837 1 86 86 GLN . 17837 1 87 87 ALA . 17837 1 88 88 ILE . 17837 1 89 89 LYS . 17837 1 90 90 ASN . 17837 1 91 91 THR . 17837 1 92 92 ASP . 17837 1 93 93 ILE . 17837 1 94 94 ALA . 17837 1 95 95 GLU . 17837 1 96 96 GLU . 17837 1 97 97 LEU . 17837 1 98 98 GLU . 17837 1 99 99 LEU . 17837 1 100 100 PRO . 17837 1 101 101 PRO . 17837 1 102 102 VAL . 17837 1 103 103 LYS . 17837 1 104 104 ILE . 17837 1 105 105 HIS . 17837 1 106 106 CYS . 17837 1 107 107 SER . 17837 1 108 108 ILE . 17837 1 109 109 LEU . 17837 1 110 110 ALA . 17837 1 111 111 GLU . 17837 1 112 112 ASP . 17837 1 113 113 ALA . 17837 1 114 114 ILE . 17837 1 115 115 LYS . 17837 1 116 116 ALA . 17837 1 117 117 ALA . 17837 1 118 118 ILE . 17837 1 119 119 ALA . 17837 1 120 120 ASP . 17837 1 121 121 TYR . 17837 1 122 122 LYS . 17837 1 123 123 SER . 17837 1 124 124 LYS . 17837 1 125 125 ARG . 17837 1 126 126 GLU . 17837 1 127 127 ALA . 17837 1 128 128 LYS . 17837 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 17837 1 . ALA 2 2 17837 1 . TYR 3 3 17837 1 . SER 4 4 17837 1 . GLU 5 5 17837 1 . LYS 6 6 17837 1 . VAL 7 7 17837 1 . ILE 8 8 17837 1 . ASP 9 9 17837 1 . HIS 10 10 17837 1 . TYR 11 11 17837 1 . GLU 12 12 17837 1 . ASN 13 13 17837 1 . PRO 14 14 17837 1 . ARG 15 15 17837 1 . ASN 16 16 17837 1 . VAL 17 17 17837 1 . GLY 18 18 17837 1 . SER 19 19 17837 1 . PHE 20 20 17837 1 . ASP 21 21 17837 1 . ASN 22 22 17837 1 . ASN 23 23 17837 1 . ASP 24 24 17837 1 . GLU 25 25 17837 1 . ASN 26 26 17837 1 . VAL 27 27 17837 1 . GLY 28 28 17837 1 . SER 29 29 17837 1 . GLY 30 30 17837 1 . MET 31 31 17837 1 . VAL 32 32 17837 1 . GLY 33 33 17837 1 . ALA 34 34 17837 1 . PRO 35 35 17837 1 . ALA 36 36 17837 1 . CYS 37 37 17837 1 . GLY 38 38 17837 1 . ASP 39 39 17837 1 . VAL 40 40 17837 1 . MET 41 41 17837 1 . LYS 42 42 17837 1 . LEU 43 43 17837 1 . GLN 44 44 17837 1 . ILE 45 45 17837 1 . LYS 46 46 17837 1 . VAL 47 47 17837 1 . ASN 48 48 17837 1 . ASP 49 49 17837 1 . GLU 50 50 17837 1 . GLY 51 51 17837 1 . ILE 52 52 17837 1 . ILE 53 53 17837 1 . GLU 54 54 17837 1 . ASP 55 55 17837 1 . ALA 56 56 17837 1 . ARG 57 57 17837 1 . PHE 58 58 17837 1 . LYS 59 59 17837 1 . THR 60 60 17837 1 . TYR 61 61 17837 1 . GLY 62 62 17837 1 . CYS 63 63 17837 1 . GLY 64 64 17837 1 . SER 65 65 17837 1 . ALA 66 66 17837 1 . ILE 67 67 17837 1 . ALA 68 68 17837 1 . SER 69 69 17837 1 . SER 70 70 17837 1 . SER 71 71 17837 1 . LEU 72 72 17837 1 . VAL 73 73 17837 1 . THR 74 74 17837 1 . GLU 75 75 17837 1 . TRP 76 76 17837 1 . VAL 77 77 17837 1 . LYS 78 78 17837 1 . GLY 79 79 17837 1 . LYS 80 80 17837 1 . SER 81 81 17837 1 . LEU 82 82 17837 1 . ASP 83 83 17837 1 . GLU 84 84 17837 1 . ALA 85 85 17837 1 . GLN 86 86 17837 1 . ALA 87 87 17837 1 . ILE 88 88 17837 1 . LYS 89 89 17837 1 . ASN 90 90 17837 1 . THR 91 91 17837 1 . ASP 92 92 17837 1 . ILE 93 93 17837 1 . ALA 94 94 17837 1 . GLU 95 95 17837 1 . GLU 96 96 17837 1 . LEU 97 97 17837 1 . GLU 98 98 17837 1 . LEU 99 99 17837 1 . PRO 100 100 17837 1 . PRO 101 101 17837 1 . VAL 102 102 17837 1 . LYS 103 103 17837 1 . ILE 104 104 17837 1 . HIS 105 105 17837 1 . CYS 106 106 17837 1 . SER 107 107 17837 1 . ILE 108 108 17837 1 . LEU 109 109 17837 1 . ALA 110 110 17837 1 . GLU 111 111 17837 1 . ASP 112 112 17837 1 . ALA 113 113 17837 1 . ILE 114 114 17837 1 . LYS 115 115 17837 1 . ALA 116 116 17837 1 . ALA 117 117 17837 1 . ILE 118 118 17837 1 . ALA 119 119 17837 1 . ASP 120 120 17837 1 . TYR 121 121 17837 1 . LYS 122 122 17837 1 . SER 123 123 17837 1 . LYS 124 124 17837 1 . ARG 125 125 17837 1 . GLU 126 126 17837 1 . ALA 127 127 17837 1 . LYS 128 128 17837 1 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 17837 _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 $IscU . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli BL21 . . . . . . . . . . . . . . . iscu . . . . 17837 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 17837 _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 $IscU . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . pTrc99a . . . . . . 17837 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17837 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 IscU '[U-13C; U-15N]' . . 1 $IscU . . 1.5 . . mM . . . . 17837 1 2 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 17837 1 3 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 17837 1 4 DSS 'natural abundance' . . . . . . 0.7 . . mM . . . . 17837 1 5 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 17837 1 6 H2O 'natural abundance' . . . . . . 93 . . % . . . . 17837 1 7 D2O 'natural abundance' . . . . . . 7 . . % . . . . 17837 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17837 _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' . . M 17837 1 pH 7.5 . pH 17837 1 pressure 1 . atm 17837 1 temperature 298 . K 17837 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17837 _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, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17837 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17837 1 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 17837 _Software.ID 2 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 17837 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17837 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17837 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17837 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17837 3 'data analysis' 17837 3 'peak picking' 17837 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17837 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 17837 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 17837 _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 Varian INOVA . 600 . . . 17837 1 2 spectrometer_2 Varian INOVA . 900 . . . 17837 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 17837 _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 . . . . . . . . . . . . . . . . . . . . . 17837 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17837 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17837 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17837 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17837 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17837 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 17837 _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 . . . . . . . . . 17837 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17837 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17837 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 17837 _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' . . . 17837 1 2 '3D CBCA(CO)NH' . . . 17837 1 3 '3D HNCACB' . . . 17837 1 4 '3D C(CO)NH' . . . 17837 1 5 '3D HNCO' . . . 17837 1 6 '3D HBHA(CO)NH' . . . 17837 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 15 15 ARG H H 1 9.308 0.030 . 1 . . . . 15 ARG H . 17837 1 2 . 1 1 15 15 ARG N N 15 123.347 0.300 . 1 . . . . 15 ARG N . 17837 1 3 . 1 1 16 16 ASN H H 1 8.259 0.030 . 1 . . . . 16 ASN H . 17837 1 4 . 1 1 16 16 ASN N N 15 109.230 0.300 . 1 . . . . 16 ASN N . 17837 1 5 . 1 1 18 18 GLY H H 1 8.555 0.030 . 1 . . . . 18 GLY H . 17837 1 6 . 1 1 18 18 GLY N N 15 115.038 0.300 . 1 . . . . 18 GLY N . 17837 1 7 . 1 1 19 19 SER H H 1 8.022 0.030 . 1 . . . . 19 SER H . 17837 1 8 . 1 1 19 19 SER CA C 13 56.930 0.300 . 1 . . . . 19 SER CA . 17837 1 9 . 1 1 19 19 SER CB C 13 66.014 0.300 . 1 . . . . 19 SER CB . 17837 1 10 . 1 1 19 19 SER N N 15 112.032 0.300 . 1 . . . . 19 SER N . 17837 1 11 . 1 1 20 20 PHE H H 1 8.778 0.030 . 1 . . . . 20 PHE H . 17837 1 12 . 1 1 20 20 PHE C C 13 175.698 0.300 . 1 . . . . 20 PHE C . 17837 1 13 . 1 1 20 20 PHE CA C 13 55.475 0.300 . 1 . . . . 20 PHE CA . 17837 1 14 . 1 1 20 20 PHE CB C 13 41.899 0.300 . 1 . . . . 20 PHE CB . 17837 1 15 . 1 1 20 20 PHE N N 15 120.566 0.300 . 1 . . . . 20 PHE N . 17837 1 16 . 1 1 21 21 ASP H H 1 8.885 0.030 . 1 . . . . 21 ASP H . 17837 1 17 . 1 1 21 21 ASP N N 15 122.880 0.300 . 1 . . . . 21 ASP N . 17837 1 18 . 1 1 22 22 ASN H H 1 8.485 0.030 . 1 . . . . 22 ASN H . 17837 1 19 . 1 1 22 22 ASN CA C 13 54.963 0.300 . 1 . . . . 22 ASN CA . 17837 1 20 . 1 1 22 22 ASN CB C 13 41.501 0.300 . 1 . . . . 22 ASN CB . 17837 1 21 . 1 1 22 22 ASN N N 15 122.118 0.300 . 1 . . . . 22 ASN N . 17837 1 22 . 1 1 24 24 ASP H H 1 7.510 0.030 . 1 . . . . 24 ASP H . 17837 1 23 . 1 1 24 24 ASP N N 15 122.185 0.300 . 1 . . . . 24 ASP N . 17837 1 24 . 1 1 25 25 GLU H H 1 9.015 0.030 . 1 . . . . 25 GLU H . 17837 1 25 . 1 1 25 25 GLU N N 15 125.006 0.300 . 1 . . . . 25 GLU N . 17837 1 26 . 1 1 26 26 ASN H H 1 8.699 0.030 . 1 . . . . 26 ASN H . 17837 1 27 . 1 1 26 26 ASN N N 15 115.852 0.300 . 1 . . . . 26 ASN N . 17837 1 28 . 1 1 27 27 VAL H H 1 7.327 0.030 . 1 . . . . 27 VAL H . 17837 1 29 . 1 1 27 27 VAL N N 15 118.843 0.300 . 1 . . . . 27 VAL N . 17837 1 30 . 1 1 28 28 GLY H H 1 8.804 0.030 . 1 . . . . 28 GLY H . 17837 1 31 . 1 1 28 28 GLY N N 15 112.418 0.300 . 1 . . . . 28 GLY N . 17837 1 32 . 1 1 29 29 SER H H 1 10.402 0.030 . 1 . . . . 29 SER H . 17837 1 33 . 1 1 29 29 SER CA C 13 57.644 0.300 . 1 . . . . 29 SER CA . 17837 1 34 . 1 1 29 29 SER CB C 13 64.837 0.300 . 1 . . . . 29 SER CB . 17837 1 35 . 1 1 29 29 SER N N 15 120.916 0.300 . 1 . . . . 29 SER N . 17837 1 36 . 1 1 30 30 GLY H H 1 9.502 0.030 . 1 . . . . 30 GLY H . 17837 1 37 . 1 1 30 30 GLY N N 15 112.775 0.300 . 1 . . . . 30 GLY N . 17837 1 38 . 1 1 31 31 MET H H 1 8.689 0.030 . 1 . . . . 31 MET H . 17837 1 39 . 1 1 31 31 MET N N 15 125.417 0.300 . 1 . . . . 31 MET N . 17837 1 40 . 1 1 32 32 VAL H H 1 8.874 0.030 . 1 . . . . 32 VAL H . 17837 1 41 . 1 1 32 32 VAL N N 15 120.212 0.300 . 1 . . . . 32 VAL N . 17837 1 42 . 1 1 33 33 GLY H H 1 8.375 0.030 . 1 . . . . 33 GLY H . 17837 1 43 . 1 1 33 33 GLY N N 15 108.623 0.300 . 1 . . . . 33 GLY N . 17837 1 44 . 1 1 34 34 ALA H H 1 8.393 0.030 . 1 . . . . 34 ALA H . 17837 1 45 . 1 1 34 34 ALA N N 15 123.601 0.300 . 1 . . . . 34 ALA N . 17837 1 46 . 1 1 35 35 PRO C C 13 177.963 0.300 . 1 . . . . 35 PRO C . 17837 1 47 . 1 1 35 35 PRO CA C 13 64.697 0.300 . 1 . . . . 35 PRO CA . 17837 1 48 . 1 1 35 35 PRO CB C 13 31.758 0.300 . 1 . . . . 35 PRO CB . 17837 1 49 . 1 1 36 36 ALA H H 1 8.421 0.030 . 1 . . . . 36 ALA H . 17837 1 50 . 1 1 36 36 ALA CA C 13 53.836 0.300 . 1 . . . . 36 ALA CA . 17837 1 51 . 1 1 36 36 ALA CB C 13 18.488 0.300 . 1 . . . . 36 ALA CB . 17837 1 52 . 1 1 36 36 ALA N N 15 118.723 0.300 . 1 . . . . 36 ALA N . 17837 1 53 . 1 1 37 37 CYS H H 1 7.612 0.030 . 1 . . . . 37 CYS H . 17837 1 54 . 1 1 37 37 CYS CA C 13 58.074 0.300 . 1 . . . . 37 CYS CA . 17837 1 55 . 1 1 37 37 CYS CB C 13 29.172 0.300 . 1 . . . . 37 CYS CB . 17837 1 56 . 1 1 37 37 CYS N N 15 112.779 0.300 . 1 . . . . 37 CYS N . 17837 1 57 . 1 1 38 38 GLY H H 1 8.092 0.030 . 1 . . . . 38 GLY H . 17837 1 58 . 1 1 38 38 GLY CA C 13 45.708 0.300 . 1 . . . . 38 GLY CA . 17837 1 59 . 1 1 38 38 GLY N N 15 109.425 0.300 . 1 . . . . 38 GLY N . 17837 1 60 . 1 1 41 41 MET H H 1 8.866 0.030 . 1 . . . . 41 MET H . 17837 1 61 . 1 1 41 41 MET N N 15 126.505 0.300 . 1 . . . . 41 MET N . 17837 1 62 . 1 1 43 43 LEU H H 1 8.971 0.030 . 1 . . . . 43 LEU H . 17837 1 63 . 1 1 43 43 LEU N N 15 126.606 0.300 . 1 . . . . 43 LEU N . 17837 1 64 . 1 1 44 44 GLN H H 1 9.359 0.030 . 1 . . . . 44 GLN H . 17837 1 65 . 1 1 44 44 GLN N N 15 120.574 0.300 . 1 . . . . 44 GLN N . 17837 1 66 . 1 1 45 45 ILE H H 1 9.226 0.030 . 1 . . . . 45 ILE H . 17837 1 67 . 1 1 45 45 ILE N N 15 113.049 0.300 . 1 . . . . 45 ILE N . 17837 1 68 . 1 1 46 46 LYS H H 1 8.285 0.030 . 1 . . . . 46 LYS H . 17837 1 69 . 1 1 46 46 LYS N N 15 123.792 0.300 . 1 . . . . 46 LYS N . 17837 1 70 . 1 1 47 47 VAL H H 1 8.502 0.030 . 1 . . . . 47 VAL H . 17837 1 71 . 1 1 47 47 VAL N N 15 128.517 0.300 . 1 . . . . 47 VAL N . 17837 1 72 . 1 1 48 48 ASN H H 1 8.917 0.030 . 1 . . . . 48 ASN H . 17837 1 73 . 1 1 48 48 ASN N N 15 126.343 0.300 . 1 . . . . 48 ASN N . 17837 1 74 . 1 1 49 49 ASP H H 1 8.394 0.030 . 1 . . . . 49 ASP H . 17837 1 75 . 1 1 49 49 ASP N N 15 116.903 0.300 . 1 . . . . 49 ASP N . 17837 1 76 . 1 1 50 50 GLU H H 1 7.803 0.030 . 1 . . . . 50 GLU H . 17837 1 77 . 1 1 50 50 GLU CA C 13 56.016 0.300 . 1 . . . . 50 GLU CA . 17837 1 78 . 1 1 50 50 GLU CB C 13 29.951 0.300 . 1 . . . . 50 GLU CB . 17837 1 79 . 1 1 50 50 GLU CG C 13 36.833 0.300 . 1 . . . . 50 GLU CG . 17837 1 80 . 1 1 50 50 GLU N N 15 117.824 0.300 . 1 . . . . 50 GLU N . 17837 1 81 . 1 1 51 51 GLY H H 1 8.053 0.030 . 1 . . . . 51 GLY H . 17837 1 82 . 1 1 51 51 GLY CA C 13 45.710 0.300 . 1 . . . . 51 GLY CA . 17837 1 83 . 1 1 51 51 GLY N N 15 107.788 0.300 . 1 . . . . 51 GLY N . 17837 1 84 . 1 1 52 52 ILE H H 1 7.517 0.030 . 1 . . . . 52 ILE H . 17837 1 85 . 1 1 52 52 ILE CA C 13 57.786 0.300 . 1 . . . . 52 ILE CA . 17837 1 86 . 1 1 52 52 ILE CB C 13 37.723 0.300 . 1 . . . . 52 ILE CB . 17837 1 87 . 1 1 52 52 ILE N N 15 119.922 0.300 . 1 . . . . 52 ILE N . 17837 1 88 . 1 1 53 53 ILE H H 1 8.705 0.030 . 1 . . . . 53 ILE H . 17837 1 89 . 1 1 53 53 ILE N N 15 127.101 0.300 . 1 . . . . 53 ILE N . 17837 1 90 . 1 1 54 54 GLU H H 1 8.903 0.030 . 1 . . . . 54 GLU H . 17837 1 91 . 1 1 54 54 GLU N N 15 130.296 0.300 . 1 . . . . 54 GLU N . 17837 1 92 . 1 1 55 55 ASP H H 1 8.015 0.030 . 1 . . . . 55 ASP H . 17837 1 93 . 1 1 55 55 ASP N N 15 115.918 0.300 . 1 . . . . 55 ASP N . 17837 1 94 . 1 1 56 56 ALA H H 1 8.941 0.030 . 1 . . . . 56 ALA H . 17837 1 95 . 1 1 56 56 ALA N N 15 123.762 0.300 . 1 . . . . 56 ALA N . 17837 1 96 . 1 1 57 57 ARG H H 1 8.826 0.030 . 1 . . . . 57 ARG H . 17837 1 97 . 1 1 57 57 ARG N N 15 117.760 0.300 . 1 . . . . 57 ARG N . 17837 1 98 . 1 1 58 58 PHE H H 1 8.481 0.030 . 1 . . . . 58 PHE H . 17837 1 99 . 1 1 58 58 PHE N N 15 116.790 0.300 . 1 . . . . 58 PHE N . 17837 1 100 . 1 1 59 59 LYS H H 1 8.732 0.030 . 1 . . . . 59 LYS H . 17837 1 101 . 1 1 59 59 LYS N N 15 119.999 0.300 . 1 . . . . 59 LYS N . 17837 1 102 . 1 1 73 73 VAL H H 1 7.566 0.030 . 1 . . . . 73 VAL H . 17837 1 103 . 1 1 73 73 VAL N N 15 113.718 0.300 . 1 . . . . 73 VAL N . 17837 1 104 . 1 1 74 74 THR H H 1 7.766 0.030 . 1 . . . . 74 THR H . 17837 1 105 . 1 1 74 74 THR N N 15 109.670 0.300 . 1 . . . . 74 THR N . 17837 1 106 . 1 1 75 75 GLU H H 1 7.259 0.030 . 1 . . . . 75 GLU H . 17837 1 107 . 1 1 75 75 GLU N N 15 117.541 0.300 . 1 . . . . 75 GLU N . 17837 1 108 . 1 1 76 76 TRP H H 1 8.638 0.030 . 1 . . . . 76 TRP H . 17837 1 109 . 1 1 76 76 TRP N N 15 120.102 0.300 . 1 . . . . 76 TRP N . 17837 1 110 . 1 1 77 77 VAL H H 1 8.092 0.030 . 1 . . . . 77 VAL H . 17837 1 111 . 1 1 77 77 VAL N N 15 107.825 0.300 . 1 . . . . 77 VAL N . 17837 1 112 . 1 1 78 78 LYS H H 1 6.685 0.030 . 1 . . . . 78 LYS H . 17837 1 113 . 1 1 78 78 LYS N N 15 118.042 0.300 . 1 . . . . 78 LYS N . 17837 1 114 . 1 1 79 79 GLY H H 1 9.423 0.030 . 1 . . . . 79 GLY H . 17837 1 115 . 1 1 79 79 GLY N N 15 112.501 0.300 . 1 . . . . 79 GLY N . 17837 1 116 . 1 1 80 80 LYS H H 1 7.887 0.030 . 1 . . . . 80 LYS H . 17837 1 117 . 1 1 80 80 LYS N N 15 120.231 0.300 . 1 . . . . 80 LYS N . 17837 1 118 . 1 1 81 81 SER H H 1 8.982 0.030 . 1 . . . . 81 SER H . 17837 1 119 . 1 1 81 81 SER N N 15 116.217 0.300 . 1 . . . . 81 SER N . 17837 1 120 . 1 1 82 82 LEU H H 1 8.012 0.030 . 1 . . . . 82 LEU H . 17837 1 121 . 1 1 82 82 LEU N N 15 118.521 0.300 . 1 . . . . 82 LEU N . 17837 1 122 . 1 1 83 83 ASP H H 1 8.112 0.030 . 1 . . . . 83 ASP H . 17837 1 123 . 1 1 83 83 ASP N N 15 116.064 0.300 . 1 . . . . 83 ASP N . 17837 1 124 . 1 1 84 84 GLU H H 1 7.793 0.030 . 1 . . . . 84 GLU H . 17837 1 125 . 1 1 84 84 GLU N N 15 120.789 0.300 . 1 . . . . 84 GLU N . 17837 1 126 . 1 1 85 85 ALA H H 1 8.670 0.030 . 1 . . . . 85 ALA H . 17837 1 127 . 1 1 85 85 ALA N N 15 122.605 0.300 . 1 . . . . 85 ALA N . 17837 1 128 . 1 1 86 86 GLN H H 1 7.841 0.030 . 1 . . . . 86 GLN H . 17837 1 129 . 1 1 86 86 GLN CA C 13 57.514 0.300 . 1 . . . . 86 GLN CA . 17837 1 130 . 1 1 86 86 GLN CB C 13 28.719 0.300 . 1 . . . . 86 GLN CB . 17837 1 131 . 1 1 86 86 GLN CG C 13 34.323 0.300 . 1 . . . . 86 GLN CG . 17837 1 132 . 1 1 86 86 GLN N N 15 115.297 0.300 . 1 . . . . 86 GLN N . 17837 1 133 . 1 1 87 87 ALA H H 1 7.095 0.030 . 1 . . . . 87 ALA H . 17837 1 134 . 1 1 87 87 ALA C C 13 177.711 0.300 . 1 . . . . 87 ALA C . 17837 1 135 . 1 1 87 87 ALA CA C 13 51.819 0.300 . 1 . . . . 87 ALA CA . 17837 1 136 . 1 1 87 87 ALA CB C 13 18.877 0.300 . 1 . . . . 87 ALA CB . 17837 1 137 . 1 1 87 87 ALA N N 15 117.938 0.300 . 1 . . . . 87 ALA N . 17837 1 138 . 1 1 88 88 ILE H H 1 7.096 0.030 . 1 . . . . 88 ILE H . 17837 1 139 . 1 1 88 88 ILE CA C 13 62.858 0.300 . 1 . . . . 88 ILE CA . 17837 1 140 . 1 1 88 88 ILE CB C 13 37.742 0.300 . 1 . . . . 88 ILE CB . 17837 1 141 . 1 1 88 88 ILE N N 15 120.667 0.300 . 1 . . . . 88 ILE N . 17837 1 142 . 1 1 89 89 LYS H H 1 8.399 0.030 . 1 . . . . 89 LYS H . 17837 1 143 . 1 1 89 89 LYS CA C 13 53.973 0.300 . 1 . . . . 89 LYS CA . 17837 1 144 . 1 1 89 89 LYS CB C 13 35.706 0.300 . 1 . . . . 89 LYS CB . 17837 1 145 . 1 1 89 89 LYS N N 15 125.098 0.300 . 1 . . . . 89 LYS N . 17837 1 146 . 1 1 90 90 ASN H H 1 9.397 0.030 . 1 . . . . 90 ASN H . 17837 1 147 . 1 1 90 90 ASN N N 15 121.356 0.300 . 1 . . . . 90 ASN N . 17837 1 148 . 1 1 91 91 THR H H 1 7.164 0.030 . 1 . . . . 91 THR H . 17837 1 149 . 1 1 91 91 THR CA C 13 64.622 0.300 . 1 . . . . 91 THR CA . 17837 1 150 . 1 1 91 91 THR CB C 13 67.450 0.300 . 1 . . . . 91 THR CB . 17837 1 151 . 1 1 91 91 THR N N 15 109.907 0.300 . 1 . . . . 91 THR N . 17837 1 152 . 1 1 92 92 ASP H H 1 7.085 0.030 . 1 . . . . 92 ASP H . 17837 1 153 . 1 1 92 92 ASP C C 13 178.752 0.300 . 1 . . . . 92 ASP C . 17837 1 154 . 1 1 92 92 ASP CA C 13 57.503 0.300 . 1 . . . . 92 ASP CA . 17837 1 155 . 1 1 92 92 ASP N N 15 121.928 0.300 . 1 . . . . 92 ASP N . 17837 1 156 . 1 1 93 93 ILE H H 1 7.111 0.030 . 1 . . . . 93 ILE H . 17837 1 157 . 1 1 93 93 ILE CA C 13 64.389 0.300 . 1 . . . . 93 ILE CA . 17837 1 158 . 1 1 93 93 ILE N N 15 120.541 0.300 . 1 . . . . 93 ILE N . 17837 1 159 . 1 1 94 94 ALA H H 1 8.188 0.030 . 1 . . . . 94 ALA H . 17837 1 160 . 1 1 94 94 ALA N N 15 118.602 0.300 . 1 . . . . 94 ALA N . 17837 1 161 . 1 1 95 95 GLU H H 1 8.012 0.030 . 1 . . . . 95 GLU H . 17837 1 162 . 1 1 95 95 GLU N N 15 116.370 0.300 . 1 . . . . 95 GLU N . 17837 1 163 . 1 1 96 96 GLU H H 1 7.711 0.030 . 1 . . . . 96 GLU H . 17837 1 164 . 1 1 96 96 GLU N N 15 120.521 0.300 . 1 . . . . 96 GLU N . 17837 1 165 . 1 1 97 97 LEU H H 1 7.278 0.030 . 1 . . . . 97 LEU H . 17837 1 166 . 1 1 97 97 LEU N N 15 112.621 0.300 . 1 . . . . 97 LEU N . 17837 1 167 . 1 1 98 98 GLU HA H 1 4.210 0.030 . 1 . . . . 98 GLU HA . 17837 1 168 . 1 1 98 98 GLU C C 13 174.486 0.300 . 1 . . . . 98 GLU C . 17837 1 169 . 1 1 98 98 GLU CA C 13 56.318 0.300 . 1 . . . . 98 GLU CA . 17837 1 170 . 1 1 98 98 GLU CB C 13 30.344 0.300 . 1 . . . . 98 GLU CB . 17837 1 171 . 1 1 99 99 LEU H H 1 7.902 0.030 . 1 . . . . 99 LEU H . 17837 1 172 . 1 1 99 99 LEU CA C 13 51.964 0.300 . 1 . . . . 99 LEU CA . 17837 1 173 . 1 1 99 99 LEU N N 15 122.822 0.300 . 1 . . . . 99 LEU N . 17837 1 174 . 1 1 102 102 VAL H H 1 7.568 0.030 . 1 . . . . 102 VAL H . 17837 1 175 . 1 1 102 102 VAL N N 15 110.118 0.300 . 1 . . . . 102 VAL N . 17837 1 176 . 1 1 103 103 LYS H H 1 8.104 0.030 . 1 . . . . 103 LYS H . 17837 1 177 . 1 1 103 103 LYS N N 15 116.493 0.300 . 1 . . . . 103 LYS N . 17837 1 178 . 1 1 104 104 ILE H H 1 7.591 0.030 . 1 . . . . 104 ILE H . 17837 1 179 . 1 1 104 104 ILE N N 15 122.907 0.300 . 1 . . . . 104 ILE N . 17837 1 180 . 1 1 105 105 HIS C C 13 177.041 0.300 . 1 . . . . 105 HIS C . 17837 1 181 . 1 1 105 105 HIS CA C 13 59.776 0.300 . 1 . . . . 105 HIS CA . 17837 1 182 . 1 1 106 106 CYS H H 1 7.484 0.030 . 1 . . . . 106 CYS H . 17837 1 183 . 1 1 106 106 CYS CB C 13 26.764 0.300 . 1 . . . . 106 CYS CB . 17837 1 184 . 1 1 106 106 CYS N N 15 120.067 0.300 . 1 . . . . 106 CYS N . 17837 1 185 . 1 1 107 107 SER H H 1 7.472 0.030 . 1 . . . . 107 SER H . 17837 1 186 . 1 1 107 107 SER N N 15 113.653 0.300 . 1 . . . . 107 SER N . 17837 1 187 . 1 1 108 108 ILE H H 1 6.719 0.030 . 1 . . . . 108 ILE H . 17837 1 188 . 1 1 108 108 ILE N N 15 126.554 0.300 . 1 . . . . 108 ILE N . 17837 1 189 . 1 1 109 109 LEU H H 1 7.991 0.030 . 1 . . . . 109 LEU H . 17837 1 190 . 1 1 109 109 LEU N N 15 119.295 0.300 . 1 . . . . 109 LEU N . 17837 1 191 . 1 1 110 110 ALA H H 1 7.075 0.030 . 1 . . . . 110 ALA H . 17837 1 192 . 1 1 110 110 ALA N N 15 117.451 0.300 . 1 . . . . 110 ALA N . 17837 1 193 . 1 1 111 111 GLU H H 1 7.353 0.030 . 1 . . . . 111 GLU H . 17837 1 194 . 1 1 111 111 GLU N N 15 118.025 0.300 . 1 . . . . 111 GLU N . 17837 1 195 . 1 1 112 112 ASP H H 1 8.756 0.030 . 1 . . . . 112 ASP H . 17837 1 196 . 1 1 112 112 ASP CA C 13 57.332 0.300 . 1 . . . . 112 ASP CA . 17837 1 197 . 1 1 112 112 ASP CB C 13 39.767 0.300 . 1 . . . . 112 ASP CB . 17837 1 198 . 1 1 112 112 ASP N N 15 119.393 0.300 . 1 . . . . 112 ASP N . 17837 1 199 . 1 1 113 113 ALA H H 1 8.955 0.030 . 1 . . . . 113 ALA H . 17837 1 200 . 1 1 113 113 ALA CA C 13 55.801 0.300 . 1 . . . . 113 ALA CA . 17837 1 201 . 1 1 113 113 ALA CB C 13 18.120 0.300 . 1 . . . . 113 ALA CB . 17837 1 202 . 1 1 113 113 ALA N N 15 124.614 0.300 . 1 . . . . 113 ALA N . 17837 1 203 . 1 1 114 114 ILE H H 1 7.853 0.030 . 1 . . . . 114 ILE H . 17837 1 204 . 1 1 114 114 ILE N N 15 118.134 0.300 . 1 . . . . 114 ILE N . 17837 1 205 . 1 1 115 115 LYS H H 1 7.968 0.030 . 1 . . . . 115 LYS H . 17837 1 206 . 1 1 115 115 LYS CA C 13 61.071 0.300 . 1 . . . . 115 LYS CA . 17837 1 207 . 1 1 115 115 LYS N N 15 119.562 0.300 . 1 . . . . 115 LYS N . 17837 1 208 . 1 1 116 116 ALA H H 1 8.535 0.030 . 1 . . . . 116 ALA H . 17837 1 209 . 1 1 116 116 ALA CA C 13 54.836 0.300 . 1 . . . . 116 ALA CA . 17837 1 210 . 1 1 116 116 ALA CB C 13 17.966 0.300 . 1 . . . . 116 ALA CB . 17837 1 211 . 1 1 116 116 ALA N N 15 122.721 0.300 . 1 . . . . 116 ALA N . 17837 1 212 . 1 1 117 117 ALA H H 1 8.415 0.030 . 1 . . . . 117 ALA H . 17837 1 213 . 1 1 117 117 ALA CA C 13 55.436 0.300 . 1 . . . . 117 ALA CA . 17837 1 214 . 1 1 117 117 ALA CB C 13 17.918 0.300 . 1 . . . . 117 ALA CB . 17837 1 215 . 1 1 117 117 ALA N N 15 124.589 0.300 . 1 . . . . 117 ALA N . 17837 1 216 . 1 1 118 118 ILE H H 1 8.235 0.030 . 1 . . . . 118 ILE H . 17837 1 217 . 1 1 118 118 ILE C C 13 177.403 0.300 . 1 . . . . 118 ILE C . 17837 1 218 . 1 1 118 118 ILE CA C 13 66.289 0.300 . 1 . . . . 118 ILE CA . 17837 1 219 . 1 1 118 118 ILE N N 15 118.709 0.300 . 1 . . . . 118 ILE N . 17837 1 220 . 1 1 119 119 ALA H H 1 8.105 0.030 . 1 . . . . 119 ALA H . 17837 1 221 . 1 1 119 119 ALA CA C 13 55.300 0.300 . 1 . . . . 119 ALA CA . 17837 1 222 . 1 1 119 119 ALA CB C 13 17.840 0.300 . 1 . . . . 119 ALA CB . 17837 1 223 . 1 1 119 119 ALA N N 15 121.507 0.300 . 1 . . . . 119 ALA N . 17837 1 224 . 1 1 120 120 ASP H H 1 8.257 0.030 . 1 . . . . 120 ASP H . 17837 1 225 . 1 1 120 120 ASP N N 15 119.721 0.300 . 1 . . . . 120 ASP N . 17837 1 226 . 1 1 121 121 TYR H H 1 8.209 0.030 . 1 . . . . 121 TYR H . 17837 1 227 . 1 1 121 121 TYR N N 15 119.478 0.300 . 1 . . . . 121 TYR N . 17837 1 228 . 1 1 122 122 LYS H H 1 8.675 0.030 . 1 . . . . 122 LYS H . 17837 1 229 . 1 1 122 122 LYS C C 13 179.464 0.300 . 1 . . . . 122 LYS C . 17837 1 230 . 1 1 122 122 LYS CA C 13 60.449 0.300 . 1 . . . . 122 LYS CA . 17837 1 231 . 1 1 122 122 LYS CB C 13 32.426 0.300 . 1 . . . . 122 LYS CB . 17837 1 232 . 1 1 122 122 LYS N N 15 117.570 0.300 . 1 . . . . 122 LYS N . 17837 1 233 . 1 1 123 123 SER H H 1 8.200 0.030 . 1 . . . . 123 SER H . 17837 1 234 . 1 1 123 123 SER CA C 13 61.272 0.300 . 1 . . . . 123 SER CA . 17837 1 235 . 1 1 123 123 SER CB C 13 62.943 0.300 . 1 . . . . 123 SER CB . 17837 1 236 . 1 1 123 123 SER N N 15 114.978 0.300 . 1 . . . . 123 SER N . 17837 1 237 . 1 1 124 124 LYS H H 1 7.508 0.030 . 1 . . . . 124 LYS H . 17837 1 238 . 1 1 124 124 LYS N N 15 121.360 0.300 . 1 . . . . 124 LYS N . 17837 1 239 . 1 1 125 125 ARG H H 1 7.427 0.030 . 1 . . . . 125 ARG H . 17837 1 240 . 1 1 125 125 ARG CB C 13 29.973 0.300 . 1 . . . . 125 ARG CB . 17837 1 241 . 1 1 125 125 ARG N N 15 117.566 0.300 . 1 . . . . 125 ARG N . 17837 1 242 . 1 1 126 126 GLU H H 1 7.718 0.030 . 1 . . . . 126 GLU H . 17837 1 243 . 1 1 126 126 GLU N N 15 119.611 0.300 . 1 . . . . 126 GLU N . 17837 1 244 . 1 1 127 127 ALA H H 1 7.959 0.030 . 1 . . . . 127 ALA H . 17837 1 245 . 1 1 127 127 ALA HA H 1 4.315 0.030 . 1 . . . . 127 ALA HA . 17837 1 246 . 1 1 127 127 ALA HB1 H 1 1.387 0.030 . 1 . . . . 127 ALA MB . 17837 1 247 . 1 1 127 127 ALA HB2 H 1 1.387 0.030 . 1 . . . . 127 ALA MB . 17837 1 248 . 1 1 127 127 ALA HB3 H 1 1.387 0.030 . 1 . . . . 127 ALA MB . 17837 1 249 . 1 1 127 127 ALA C C 13 176.640 0.300 . 1 . . . . 127 ALA C . 17837 1 250 . 1 1 127 127 ALA CA C 13 52.497 0.300 . 1 . . . . 127 ALA CA . 17837 1 251 . 1 1 127 127 ALA CB C 13 18.974 0.300 . 1 . . . . 127 ALA CB . 17837 1 252 . 1 1 127 127 ALA N N 15 124.753 0.300 . 1 . . . . 127 ALA N . 17837 1 253 . 1 1 128 128 LYS H H 1 7.760 0.030 . 1 . . . . 128 LYS H . 17837 1 254 . 1 1 128 128 LYS CA C 13 57.565 0.300 . 1 . . . . 128 LYS CA . 17837 1 255 . 1 1 128 128 LYS CB C 13 33.717 0.300 . 1 . . . . 128 LYS CB . 17837 1 256 . 1 1 128 128 LYS N N 15 126.161 0.300 . 1 . . . . 128 LYS N . 17837 1 stop_ save_