data_18361 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The chemical shifts and T1, T2, and 1H-15N NOE data for apo-IscU(N90A) ; _BMRB_accession_number 18361 _BMRB_flat_file_name bmr18361.str _Entry_type original _Submission_date 2012-03-28 _Accession_date 2012-03-28 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kim 'Jin Hae' . . 2 Tonelli Marco . . 3 Markley John L. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 heteronucl_NOE 1 T1_relaxation 1 T2_relaxation 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 87 "13C chemical shifts" 258 "15N chemical shifts" 87 "T1 relaxation values" 82 "T2 relaxation values" 82 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-09-14 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 18359 IscU(D39V) 18360 IscU(E111A) 18362 IscU(S107A) stop_ _Original_release_date 2012-09-14 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Three-Dimensional Structure and Determinants of Stability of the Iron-Sulfur Cluster Scaffold Protein IscU from Escherichia coli.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22734684 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kim 'Jin Hae' . . 2 Tonelli Marco . . 3 Kim Taewook . . 4 Markley John L. . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 51 _Journal_issue 28 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 5557 _Page_last 5563 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name IscU(N90A) _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label IscU(N90A) $IscU(N90A) stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_IscU(N90A) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common IscU(N90A) _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 128 _Mol_residue_sequence ; MAYSEKVIDHYENPRNVGSF DNNDENVGSGMVGAPACGDV MKLQIKVNDEGIIEDARFKT YGCGSAIASSSLVTEWVKGK SLDEAQAIKATDIAEELELP PVKIHCSILAEDAIKAAIAD YKSKREAK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 ALA 3 3 TYR 4 4 SER 5 5 GLU 6 6 LYS 7 7 VAL 8 8 ILE 9 9 ASP 10 10 HIS 11 11 TYR 12 12 GLU 13 13 ASN 14 14 PRO 15 15 ARG 16 16 ASN 17 17 VAL 18 18 GLY 19 19 SER 20 20 PHE 21 21 ASP 22 22 ASN 23 23 ASN 24 24 ASP 25 25 GLU 26 26 ASN 27 27 VAL 28 28 GLY 29 29 SER 30 30 GLY 31 31 MET 32 32 VAL 33 33 GLY 34 34 ALA 35 35 PRO 36 36 ALA 37 37 CYS 38 38 GLY 39 39 ASP 40 40 VAL 41 41 MET 42 42 LYS 43 43 LEU 44 44 GLN 45 45 ILE 46 46 LYS 47 47 VAL 48 48 ASN 49 49 ASP 50 50 GLU 51 51 GLY 52 52 ILE 53 53 ILE 54 54 GLU 55 55 ASP 56 56 ALA 57 57 ARG 58 58 PHE 59 59 LYS 60 60 THR 61 61 TYR 62 62 GLY 63 63 CYS 64 64 GLY 65 65 SER 66 66 ALA 67 67 ILE 68 68 ALA 69 69 SER 70 70 SER 71 71 SER 72 72 LEU 73 73 VAL 74 74 THR 75 75 GLU 76 76 TRP 77 77 VAL 78 78 LYS 79 79 GLY 80 80 LYS 81 81 SER 82 82 LEU 83 83 ASP 84 84 GLU 85 85 ALA 86 86 GLN 87 87 ALA 88 88 ILE 89 89 LYS 90 90 ALA 91 91 THR 92 92 ASP 93 93 ILE 94 94 ALA 95 95 GLU 96 96 GLU 97 97 LEU 98 98 GLU 99 99 LEU 100 100 PRO 101 101 PRO 102 102 VAL 103 103 LYS 104 104 ILE 105 105 HIS 106 106 CYS 107 107 SER 108 108 ILE 109 109 LEU 110 110 ALA 111 111 GLU 112 112 ASP 113 113 ALA 114 114 ILE 115 115 LYS 116 116 ALA 117 117 ALA 118 118 ILE 119 119 ALA 120 120 ASP 121 121 TYR 122 122 LYS 123 123 SER 124 124 LYS 125 125 ARG 126 126 GLU 127 127 ALA 128 128 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-22 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 15967 IscU(D39A) 100.00 128 98.44 98.44 8.66e-85 BMRB 16245 IscU 100.00 130 99.22 99.22 6.10e-86 BMRB 16603 IscU 100.00 128 98.44 98.44 8.66e-85 BMRB 17282 IscU 100.00 128 99.22 99.22 5.12e-86 BMRB 17836 IscU 100.00 128 99.22 99.22 5.12e-86 BMRB 17837 IscU 100.00 128 99.22 99.22 5.12e-86 BMRB 17844 IscU 100.00 128 99.22 99.22 5.12e-86 BMRB 18359 IscU(D39V) 100.00 128 98.44 98.44 1.23e-84 BMRB 18360 IscU(E111A) 100.00 128 98.44 98.44 4.60e-85 BMRB 18362 IscU(S107A) 100.00 128 98.44 99.22 1.78e-85 BMRB 18381 IscU 100.00 128 99.22 99.22 5.12e-86 BMRB 18750 IscU 100.00 128 99.22 99.22 5.12e-86 BMRB 18754 IscU 100.00 128 99.22 99.22 5.12e-86 PDB 2KQK "Solution Structure Of Apo-Iscu(D39a)" 100.00 128 98.44 98.44 8.66e-85 PDB 2L4X "Solution Structure Of Apo-Iscu(Wt)" 100.00 128 99.22 99.22 5.12e-86 PDB 3LVL "Crystal Structure Of E.Coli Iscs-Iscu Complex" 99.22 129 99.21 99.21 7.27e-85 DBJ BAA16423 "scaffold protein [Escherichia coli str. K12 substr. W3110]" 100.00 128 99.22 99.22 5.12e-86 DBJ BAB36818 "NifU-like protein [Escherichia coli O157:H7 str. Sakai]" 100.00 128 99.22 99.22 5.12e-86 DBJ BAG78339 "conserved hypothetical protein [Escherichia coli SE11]" 100.00 128 99.22 99.22 5.12e-86 DBJ BAI26774 "scaffold protein IscU [Escherichia coli O26:H11 str. 11368]" 100.00 128 99.22 99.22 5.12e-86 DBJ BAI31803 "scaffold protein IscU [Escherichia coli O103:H2 str. 12009]" 100.00 128 99.22 99.22 5.12e-86 EMBL CAD02745 "NifU-like protein [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 100.00 128 97.66 99.22 8.02e-85 EMBL CAP76981 "NifU-like protein [Escherichia coli LF82]" 100.00 128 98.44 98.44 4.45e-85 EMBL CAQ32902 "scaffold protein involved in iron-sulfur cluster assembly [Escherichia coli BL21(DE3)]" 100.00 128 99.22 99.22 5.12e-86 EMBL CAQ88187 "scaffold protein [Escherichia fergusonii ATCC 35469]" 100.00 128 99.22 99.22 5.12e-86 EMBL CAQ99420 "scaffold protein [Escherichia coli IAI1]" 100.00 128 99.22 99.22 5.12e-86 GB AAC75582 "iron-sulfur cluster assembly scaffold protein [Escherichia coli str. K-12 substr. MG1655]" 100.00 128 99.22 99.22 5.12e-86 GB AAG57643 "orf, hypothetical protein [Escherichia coli O157:H7 str. EDL933]" 100.00 128 99.22 99.22 5.12e-86 GB AAL21436 "NifU homolog [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" 100.00 128 97.66 99.22 8.02e-85 GB AAN44075 "conserved hypothetical protein [Shigella flexneri 2a str. 301]" 100.00 128 99.22 99.22 5.12e-86 GB AAN81505 "NifU-like protein [Escherichia coli CFT073]" 100.00 128 99.22 99.22 5.12e-86 PIR AE0824 "NifU-like protein [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" 100.00 128 97.66 99.22 8.02e-85 REF NP_311422 "scaffold protein [Escherichia coli O157:H7 str. Sakai]" 100.00 128 99.22 99.22 5.12e-86 REF NP_417024 "iron-sulfur cluster assembly scaffold protein [Escherichia coli str. K-12 substr. MG1655]" 100.00 128 99.22 99.22 5.12e-86 REF NP_457073 "NifU-like protein [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 100.00 128 97.66 99.22 8.02e-85 REF NP_461477 "iron-sulfur cluster assembly scaffold protein [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" 100.00 128 97.66 99.22 8.02e-85 REF NP_708368 "scaffold protein [Shigella flexneri 2a str. 301]" 100.00 128 99.22 99.22 5.12e-86 SP P0ACD4 "RecName: Full=Iron-sulfur cluster assembly scaffold protein IscU; AltName: Full=Sulfur acceptor protein IscU" 100.00 128 99.22 99.22 5.12e-86 SP P0ACD5 "RecName: Full=Iron-sulfur cluster assembly scaffold protein IscU; AltName: Full=Sulfur acceptor protein IscU" 100.00 128 99.22 99.22 5.12e-86 SP P0ACD6 "RecName: Full=Iron-sulfur cluster assembly scaffold protein IscU; AltName: Full=Sulfur acceptor protein IscU" 100.00 128 99.22 99.22 5.12e-86 SP P0ACD7 "RecName: Full=Iron-sulfur cluster assembly scaffold protein IscU; AltName: Full=Sulfur acceptor protein IscU" 100.00 128 99.22 99.22 5.12e-86 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Gene_mnemonic $IscU(N90A) 'E. coli' 562 Bacteria . Escherichia coli K-12 iscu stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $IscU(N90A) 'recombinant technology' . Escherichia coli BL21 pTrc99a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $IscU(N90A) . mM 1.5 2 '[U-13C; U-15N]' TRIS 20 mM . . 'natural abundance' DTT 5 mM . . 'natural abundance' EDTA 0.5 mM . . 'natural abundance' 'sodium chloride' 150 mM . . 'natural abundance' DSS 0.7 mM . . 'natural abundance' D2O 7 % . . '[U-99% 2H]' 'sodium azide' 0.02 % . . 'natural abundance' H2O 93 % . . '[U-99% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model VNMRS _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.15 . M pH 8 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D HNCACB' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name IscU(N90A) _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 15 15 ARG H H 9.330 0.02 1 2 15 15 ARG C C 174.840 0.20 1 3 15 15 ARG CA C 55.709 0.20 1 4 15 15 ARG CB C 32.642 0.20 1 5 15 15 ARG N N 123.637 0.20 1 6 16 16 ASN H H 8.249 0.02 1 7 16 16 ASN C C 174.120 0.20 1 8 16 16 ASN CA C 54.328 0.20 1 9 16 16 ASN CB C 37.081 0.20 1 10 16 16 ASN N N 109.404 0.20 1 11 17 17 VAL H H 7.728 0.02 1 12 17 17 VAL C C 177.833 0.20 1 13 17 17 VAL CA C 62.531 0.20 1 14 17 17 VAL CB C 31.539 0.20 1 15 17 17 VAL N N 118.549 0.20 1 16 18 18 GLY H H 8.550 0.02 1 17 18 18 GLY C C 170.279 0.20 1 18 18 18 GLY CA C 44.633 0.20 1 19 18 18 GLY N N 115.143 0.20 1 20 19 19 SER H H 8.018 0.02 1 21 19 19 SER C C 173.008 0.20 1 22 19 19 SER CA C 56.898 0.20 1 23 19 19 SER CB C 66.032 0.20 1 24 19 19 SER N N 112.176 0.20 1 25 20 20 PHE H H 8.811 0.02 1 26 20 20 PHE CA C 55.489 0.20 1 27 20 20 PHE CB C 41.963 0.20 1 28 20 20 PHE N N 120.620 0.20 1 29 23 23 ASN C C 175.351 0.20 1 30 23 23 ASN CA C 53.351 0.20 1 31 23 23 ASN CB C 38.324 0.20 1 32 24 24 ASP H H 7.502 0.02 1 33 24 24 ASP C C 177.712 0.20 1 34 24 24 ASP CA C 54.771 0.20 1 35 24 24 ASP CB C 41.573 0.20 1 36 24 24 ASP N N 122.434 0.20 1 37 25 25 GLU H H 9.025 0.02 1 38 25 25 GLU C C 175.767 0.20 1 39 25 25 GLU CA C 58.338 0.20 1 40 25 25 GLU CB C 29.513 0.20 1 41 25 25 GLU N N 125.371 0.20 1 42 26 26 ASN H H 8.741 0.02 1 43 26 26 ASN HD21 H 7.698 0.02 2 44 26 26 ASN C C 173.008 0.20 1 45 26 26 ASN CA C 53.096 0.20 1 46 26 26 ASN CB C 38.286 0.20 1 47 26 26 ASN CG C 178.616 0.20 1 48 26 26 ASN N N 116.045 0.20 1 49 26 26 ASN ND2 N 114.017 0.20 1 50 27 27 VAL H H 7.349 0.02 1 51 27 27 VAL C C 176.961 0.20 1 52 27 27 VAL CA C 60.031 0.20 1 53 27 27 VAL CB C 35.187 0.20 1 54 27 27 VAL N N 119.085 0.20 1 55 28 28 GLY H H 8.818 0.02 1 56 28 28 GLY C C 173.090 0.20 1 57 28 28 GLY CA C 44.327 0.20 1 58 28 28 GLY N N 112.561 0.20 1 59 29 29 SER H H 10.448 0.02 1 60 29 29 SER C C 172.460 0.20 1 61 29 29 SER CA C 57.645 0.20 1 62 29 29 SER CB C 64.779 0.20 1 63 29 29 SER N N 121.200 0.20 1 64 30 30 GLY H H 9.524 0.02 1 65 30 30 GLY C C 171.139 0.20 1 66 30 30 GLY CA C 44.654 0.20 1 67 30 30 GLY N N 112.957 0.20 1 68 31 31 MET H H 8.669 0.02 1 69 31 31 MET C C 174.699 0.20 1 70 31 31 MET CA C 55.087 0.20 1 71 31 31 MET CB C 34.908 0.20 1 72 31 31 MET N N 125.538 0.20 1 73 32 32 VAL H H 8.885 0.02 1 74 32 32 VAL C C 173.942 0.20 1 75 32 32 VAL CA C 59.546 0.20 1 76 32 32 VAL CB C 35.793 0.20 1 77 32 32 VAL N N 120.321 0.20 1 78 33 33 GLY H H 8.379 0.02 1 79 33 33 GLY C C 172.462 0.20 1 80 33 33 GLY CA C 44.631 0.20 1 81 33 33 GLY N N 108.715 0.20 1 82 34 34 ALA H H 8.375 0.02 1 83 34 34 ALA CA C 49.358 0.20 1 84 34 34 ALA CB C 20.038 0.20 1 85 34 34 ALA N N 123.802 0.20 1 86 42 42 LYS C C 174.320 0.20 1 87 42 42 LYS CA C 55.008 0.20 1 88 42 42 LYS CB C 34.356 0.20 1 89 43 43 LEU H H 8.942 0.02 1 90 43 43 LEU C C 175.346 0.20 1 91 43 43 LEU CA C 53.504 0.20 1 92 43 43 LEU CB C 46.490 0.20 1 93 43 43 LEU N N 126.575 0.20 1 94 44 44 GLN H H 9.363 0.02 1 95 44 44 GLN C C 175.226 0.20 1 96 44 44 GLN CA C 53.712 0.20 1 97 44 44 GLN CB C 36.099 0.20 1 98 44 44 GLN N N 121.015 0.20 1 99 45 45 ILE H H 9.231 0.02 1 100 45 45 ILE C C 172.430 0.20 1 101 45 45 ILE CA C 58.958 0.20 1 102 45 45 ILE CB C 41.230 0.20 1 103 45 45 ILE N N 113.190 0.20 1 104 46 46 LYS H H 8.294 0.02 1 105 46 46 LYS C C 174.612 0.20 1 106 46 46 LYS CA C 54.891 0.20 1 107 46 46 LYS CB C 35.062 0.20 1 108 46 46 LYS N N 123.929 0.20 1 109 47 47 VAL H H 8.531 0.02 1 110 47 47 VAL C C 176.560 0.20 1 111 47 47 VAL CA C 61.015 0.20 1 112 47 47 VAL CB C 34.003 0.20 1 113 47 47 VAL N N 128.661 0.20 1 114 48 48 ASN H H 8.921 0.02 1 115 48 48 ASN C C 177.134 0.20 1 116 48 48 ASN CA C 51.347 0.20 1 117 48 48 ASN CB C 38.790 0.20 1 118 48 48 ASN N N 126.478 0.20 1 119 49 49 ASP H H 8.396 0.02 1 120 49 49 ASP C C 177.179 0.20 1 121 49 49 ASP CA C 56.657 0.20 1 122 49 49 ASP CB C 40.404 0.20 1 123 49 49 ASP N N 117.037 0.20 1 124 50 50 GLU H H 7.806 0.02 1 125 50 50 GLU C C 176.586 0.20 1 126 50 50 GLU CA C 56.029 0.20 1 127 50 50 GLU CB C 29.955 0.20 1 128 50 50 GLU N N 117.930 0.20 1 129 51 51 GLY H H 8.054 0.02 1 130 51 51 GLY C C 172.651 0.20 1 131 51 51 GLY CA C 45.754 0.20 1 132 51 51 GLY N N 107.900 0.20 1 133 52 52 ILE H H 7.522 0.02 1 134 52 52 ILE C C 175.404 0.20 1 135 52 52 ILE CA C 57.798 0.20 1 136 52 52 ILE CB C 37.710 0.20 1 137 52 52 ILE N N 120.047 0.20 1 138 53 53 ILE H H 8.714 0.02 1 139 53 53 ILE C C 174.598 0.20 1 140 53 53 ILE CA C 62.566 0.20 1 141 53 53 ILE CB C 36.467 0.20 1 142 53 53 ILE N N 127.215 0.20 1 143 54 54 GLU H H 8.907 0.02 1 144 54 54 GLU C C 176.044 0.20 1 145 54 54 GLU CA C 56.318 0.20 1 146 54 54 GLU CB C 31.968 0.20 1 147 54 54 GLU N N 130.456 0.20 1 148 55 55 ASP H H 8.028 0.02 1 149 55 55 ASP C C 172.418 0.20 1 150 55 55 ASP CA C 52.827 0.20 1 151 55 55 ASP CB C 44.062 0.20 1 152 55 55 ASP N N 116.094 0.20 1 153 56 56 ALA H H 8.952 0.02 1 154 56 56 ALA C C 174.850 0.20 1 155 56 56 ALA CA C 52.132 0.20 1 156 56 56 ALA CB C 22.874 0.20 1 157 56 56 ALA N N 123.796 0.20 1 158 57 57 ARG H H 8.834 0.02 1 159 57 57 ARG C C 174.475 0.20 1 160 57 57 ARG CA C 53.418 0.20 1 161 57 57 ARG CB C 36.836 0.20 1 162 57 57 ARG N N 117.986 0.20 1 163 58 58 PHE H H 8.456 0.02 1 164 58 58 PHE C C 172.724 0.20 1 165 58 58 PHE CA C 56.151 0.20 1 166 58 58 PHE CB C 43.644 0.20 1 167 58 58 PHE N N 116.988 0.20 1 168 59 59 LYS H H 8.704 0.02 1 169 59 59 LYS CA C 56.288 0.20 1 170 59 59 LYS N N 120.081 0.20 1 171 72 72 LEU C C 178.799 0.20 1 172 72 72 LEU CA C 58.024 0.20 1 173 72 72 LEU CB C 42.101 0.20 1 174 73 73 VAL H H 7.537 0.02 1 175 73 73 VAL C C 177.381 0.20 1 176 73 73 VAL CA C 67.030 0.20 1 177 73 73 VAL CB C 31.246 0.20 1 178 73 73 VAL N N 113.916 0.20 1 179 74 74 THR H H 7.760 0.02 1 180 74 74 THR C C 175.284 0.20 1 181 74 74 THR CA C 65.900 0.20 1 182 74 74 THR CB C 68.398 0.20 1 183 74 74 THR N N 109.696 0.20 1 184 75 75 GLU H H 7.237 0.02 1 185 75 75 GLU C C 179.789 0.20 1 186 75 75 GLU CA C 58.427 0.20 1 187 75 75 GLU CB C 30.383 0.20 1 188 75 75 GLU N N 117.673 0.20 1 189 76 76 TRP H H 8.664 0.02 1 190 76 76 TRP HE1 H 10.290 0.02 1 191 76 76 TRP C C 178.555 0.20 1 192 76 76 TRP CA C 58.843 0.20 1 193 76 76 TRP CB C 30.154 0.20 1 194 76 76 TRP N N 120.158 0.20 1 195 76 76 TRP NE1 N 129.149 0.20 1 196 77 77 VAL H H 8.140 0.02 1 197 77 77 VAL C C 175.468 0.20 1 198 77 77 VAL CA C 63.839 0.20 1 199 77 77 VAL CB C 31.669 0.20 1 200 77 77 VAL N N 108.107 0.20 1 201 78 78 LYS H H 6.693 0.02 1 202 78 78 LYS C C 177.748 0.20 1 203 78 78 LYS CA C 59.164 0.20 1 204 78 78 LYS CB C 32.184 0.20 1 205 78 78 LYS N N 118.208 0.20 1 206 79 79 GLY H H 9.429 0.02 1 207 79 79 GLY C C 174.185 0.20 1 208 79 79 GLY CA C 45.250 0.20 1 209 79 79 GLY N N 112.605 0.20 1 210 80 80 LYS H H 7.883 0.02 1 211 80 80 LYS C C 176.145 0.20 1 212 80 80 LYS CA C 54.710 0.20 1 213 80 80 LYS CB C 33.888 0.20 1 214 80 80 LYS N N 120.328 0.20 1 215 81 81 SER H H 9.002 0.02 1 216 81 81 SER C C 175.451 0.20 1 217 81 81 SER CA C 57.154 0.20 1 218 81 81 SER CB C 65.123 0.20 1 219 81 81 SER N N 116.347 0.20 1 220 82 82 LEU H H 8.024 0.02 1 221 82 82 LEU C C 179.001 0.20 1 222 82 82 LEU CA C 58.837 0.20 1 223 82 82 LEU CB C 41.105 0.20 1 224 82 82 LEU N N 118.694 0.20 1 225 83 83 ASP H H 8.129 0.02 1 226 83 83 ASP C C 179.258 0.20 1 227 83 83 ASP CA C 57.380 0.20 1 228 83 83 ASP CB C 40.566 0.20 1 229 83 83 ASP N N 116.203 0.20 1 230 84 84 GLU H H 7.793 0.02 1 231 84 84 GLU C C 180.097 0.20 1 232 84 84 GLU CA C 58.926 0.20 1 233 84 84 GLU CB C 30.495 0.20 1 234 84 84 GLU N N 120.872 0.20 1 235 85 85 ALA H H 8.690 0.02 1 236 85 85 ALA C C 178.531 0.20 1 237 85 85 ALA CA C 54.719 0.20 1 238 85 85 ALA CB C 18.509 0.20 1 239 85 85 ALA N N 122.848 0.20 1 240 86 86 GLN H H 7.869 0.02 1 241 86 86 GLN C C 174.744 0.20 1 242 86 86 GLN CA C 57.612 0.20 1 243 86 86 GLN CB C 28.723 0.20 1 244 86 86 GLN N N 115.755 0.20 1 245 87 87 ALA H H 7.090 0.02 1 246 87 87 ALA C C 177.787 0.20 1 247 87 87 ALA CA C 51.826 0.20 1 248 87 87 ALA CB C 18.932 0.20 1 249 87 87 ALA N N 118.022 0.20 1 250 88 88 ILE H H 7.091 0.02 1 251 88 88 ILE C C 174.627 0.20 1 252 88 88 ILE CA C 63.023 0.20 1 253 88 88 ILE CB C 37.782 0.20 1 254 88 88 ILE N N 120.806 0.20 1 255 89 89 LYS H H 8.372 0.02 1 256 89 89 LYS C C 177.870 0.20 1 257 89 89 LYS CA C 53.899 0.20 1 258 89 89 LYS CB C 35.353 0.20 1 259 89 89 LYS N N 125.649 0.20 1 260 90 90 ALA H H 9.404 0.02 1 261 90 90 ALA C C 179.418 0.20 1 262 90 90 ALA CA C 55.685 0.20 1 263 90 90 ALA CB C 18.819 0.20 1 264 90 90 ALA N N 126.613 0.20 1 265 91 91 THR H H 7.906 0.02 1 266 91 91 THR C C 177.008 0.20 1 267 91 91 THR CA C 65.098 0.20 1 268 91 91 THR CB C 67.960 0.20 1 269 91 91 THR N N 107.271 0.20 1 270 92 92 ASP H H 7.226 0.02 1 271 92 92 ASP C C 179.124 0.20 1 272 92 92 ASP CA C 57.530 0.20 1 273 92 92 ASP CB C 40.683 0.20 1 274 92 92 ASP N N 121.559 0.20 1 275 93 93 ILE H H 7.366 0.02 1 276 93 93 ILE C C 176.706 0.20 1 277 93 93 ILE CA C 64.664 0.20 1 278 93 93 ILE CB C 39.024 0.20 1 279 93 93 ILE N N 122.201 0.20 1 280 94 94 ALA H H 8.455 0.02 1 281 94 94 ALA C C 180.069 0.20 1 282 94 94 ALA CA C 55.378 0.20 1 283 94 94 ALA CB C 18.483 0.20 1 284 94 94 ALA N N 119.060 0.20 1 285 95 95 GLU H H 8.028 0.02 1 286 95 95 GLU C C 179.463 0.20 1 287 95 95 GLU CA C 59.028 0.20 1 288 95 95 GLU CB C 29.799 0.20 1 289 95 95 GLU N N 116.745 0.20 1 290 96 96 GLU H H 7.769 0.02 1 291 96 96 GLU C C 177.730 0.20 1 292 96 96 GLU CA C 58.922 0.20 1 293 96 96 GLU CB C 29.089 0.20 1 294 96 96 GLU N N 120.880 0.20 1 295 97 97 LEU H H 7.350 0.02 1 296 97 97 LEU CA C 54.446 0.20 1 297 97 97 LEU CB C 42.096 0.20 1 298 97 97 LEU N N 112.763 0.20 1 299 101 101 PRO C C 179.540 0.20 1 300 101 101 PRO CA C 66.096 0.20 1 301 101 101 PRO CB C 32.054 0.20 1 302 102 102 VAL H H 7.573 0.02 1 303 102 102 VAL C C 176.107 0.20 1 304 102 102 VAL CA C 63.538 0.20 1 305 102 102 VAL CB C 31.465 0.20 1 306 102 102 VAL N N 110.262 0.20 1 307 103 103 LYS H H 8.109 0.02 1 308 103 103 LYS C C 177.529 0.20 1 309 103 103 LYS CA C 53.062 0.20 1 310 103 103 LYS CB C 33.331 0.20 1 311 103 103 LYS N N 116.619 0.20 1 312 104 104 ILE H H 7.562 0.02 1 313 104 104 ILE CA C 64.103 0.20 1 314 104 104 ILE CB C 37.551 0.20 1 315 104 104 ILE N N 122.806 0.20 1 316 105 105 HIS C C 176.951 0.20 1 317 105 105 HIS CA C 59.696 0.20 1 318 105 105 HIS CB C 29.267 0.20 1 319 106 106 CYS H H 7.434 0.02 1 320 106 106 CYS C C 175.625 0.20 1 321 106 106 CYS CA C 63.357 0.20 1 322 106 106 CYS CB C 27.463 0.20 1 323 106 106 CYS N N 120.115 0.20 1 324 107 107 SER H H 7.440 0.02 1 325 107 107 SER C C 174.181 0.20 1 326 107 107 SER CA C 61.348 0.20 1 327 107 107 SER CB C 63.031 0.20 1 328 107 107 SER N N 114.123 0.20 1 329 108 108 ILE H H 6.633 0.02 1 330 108 108 ILE C C 177.217 0.20 1 331 108 108 ILE CA C 64.704 0.20 1 332 108 108 ILE CB C 38.537 0.20 1 333 108 108 ILE N N 126.194 0.20 1 334 109 109 LEU H H 7.971 0.02 1 335 109 109 LEU C C 177.589 0.20 1 336 109 109 LEU CA C 57.723 0.20 1 337 109 109 LEU CB C 41.975 0.20 1 338 109 109 LEU N N 119.222 0.20 1 339 110 110 ALA H H 7.053 0.02 1 340 110 110 ALA C C 178.299 0.20 1 341 110 110 ALA CA C 55.195 0.20 1 342 110 110 ALA CB C 18.137 0.20 1 343 110 110 ALA N N 117.858 0.20 1 344 111 111 GLU H H 7.519 0.02 1 345 111 111 GLU C C 178.102 0.20 1 346 111 111 GLU CA C 59.919 0.20 1 347 111 111 GLU CB C 29.439 0.20 1 348 111 111 GLU N N 118.327 0.20 1 349 112 112 ASP H H 8.750 0.02 1 350 112 112 ASP C C 179.879 0.20 1 351 112 112 ASP CA C 57.387 0.20 1 352 112 112 ASP CB C 39.854 0.20 1 353 112 112 ASP N N 119.433 0.20 1 354 113 113 ALA H H 8.978 0.02 1 355 113 113 ALA C C 179.318 0.20 1 356 113 113 ALA CA C 55.820 0.20 1 357 113 113 ALA CB C 18.114 0.20 1 358 113 113 ALA N N 124.857 0.20 1 359 114 114 ILE H H 7.879 0.02 1 360 114 114 ILE C C 177.879 0.20 1 361 114 114 ILE CA C 63.815 0.20 1 362 114 114 ILE CB C 37.453 0.20 1 363 114 114 ILE N N 118.274 0.20 1 364 115 115 LYS H H 7.945 0.02 1 365 115 115 LYS C C 179.962 0.20 1 366 115 115 LYS CA C 61.018 0.20 1 367 115 115 LYS CB C 32.282 0.20 1 368 115 115 LYS N N 119.494 0.20 1 369 116 116 ALA H H 8.540 0.02 1 370 116 116 ALA C C 180.045 0.20 1 371 116 116 ALA CA C 54.867 0.20 1 372 116 116 ALA CB C 18.065 0.20 1 373 116 116 ALA N N 122.724 0.20 1 374 117 117 ALA H H 8.445 0.02 1 375 117 117 ALA C C 179.698 0.20 1 376 117 117 ALA CA C 55.470 0.20 1 377 117 117 ALA CB C 17.922 0.20 1 378 117 117 ALA N N 124.729 0.20 1 379 118 118 ILE H H 8.243 0.02 1 380 118 118 ILE C C 177.442 0.20 1 381 118 118 ILE CA C 66.308 0.20 1 382 118 118 ILE CB C 38.831 0.20 1 383 118 118 ILE N N 118.753 0.20 1 384 119 119 ALA H H 8.131 0.02 1 385 119 119 ALA C C 180.795 0.20 1 386 119 119 ALA CA C 55.308 0.20 1 387 119 119 ALA CB C 17.863 0.20 1 388 119 119 ALA N N 121.610 0.20 1 389 120 120 ASP H H 8.239 0.02 1 390 120 120 ASP C C 178.399 0.20 1 391 120 120 ASP CA C 57.931 0.20 1 392 120 120 ASP CB C 43.764 0.20 1 393 120 120 ASP N N 119.788 0.20 1 394 121 121 TYR H H 8.202 0.02 1 395 121 121 TYR C C 177.574 0.20 1 396 121 121 TYR CA C 62.424 0.20 1 397 121 121 TYR CB C 38.234 0.20 1 398 121 121 TYR N N 119.572 0.20 1 399 122 122 LYS H H 8.686 0.02 1 400 122 122 LYS C C 179.471 0.20 1 401 122 122 LYS CA C 60.453 0.20 1 402 122 122 LYS CB C 32.505 0.20 1 403 122 122 LYS N N 117.696 0.20 1 404 123 123 SER H H 8.202 0.02 1 405 123 123 SER C C 176.369 0.20 1 406 123 123 SER CA C 61.301 0.20 1 407 123 123 SER CB C 62.974 0.20 1 408 123 123 SER N N 115.105 0.20 1 409 124 124 LYS H H 7.509 0.02 1 410 124 124 LYS C C 177.920 0.20 1 411 124 124 LYS CA C 58.434 0.20 1 412 124 124 LYS CB C 32.757 0.20 1 413 124 124 LYS N N 121.495 0.20 1 414 125 125 ARG H H 7.434 0.02 1 415 125 125 ARG C C 176.826 0.20 1 416 125 125 ARG CA C 55.941 0.20 1 417 125 125 ARG CB C 30.004 0.20 1 418 125 125 ARG N N 117.702 0.20 1 419 126 126 GLU H H 7.734 0.02 1 420 126 126 GLU C C 176.123 0.20 1 421 126 126 GLU CA C 56.741 0.20 1 422 126 126 GLU CB C 30.220 0.20 1 423 126 126 GLU N N 119.734 0.20 1 424 127 127 ALA H H 7.962 0.02 1 425 127 127 ALA C C 176.668 0.20 1 426 127 127 ALA CA C 52.534 0.20 1 427 127 127 ALA CB C 19.031 0.20 1 428 127 127 ALA N N 124.839 0.20 1 429 128 128 LYS H H 7.764 0.02 1 430 128 128 LYS CA C 57.618 0.20 1 431 128 128 LYS CB C 33.720 0.20 1 432 128 128 LYS N N 126.255 0.20 1 stop_ save_ save_heteronuclear_T1_list_1 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T1_coherence_type Sz _T1_value_units s _Mol_system_component_name IscU(N90A) _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 15 ARG N 0.5185 0.0522 2 16 ASN N 0.5312 0.0319 3 17 VAL N 0.598 0.0182 4 18 GLY N 0.5442 0.0136 5 19 SER N 0.5022 0.0347 6 20 PHE N 0.5364 0.0243 7 24 ASP N 0.5384 0.0202 8 25 GLU N 0.4405 0.0289 9 26 ASN N 0.5756 0.0103 10 27 VAL N 0.6945 0.00877 11 28 GLY N 0.7198 0.0176 12 29 SER N 0.707 0.0165 13 30 GLY N 0.715 0.0174 14 31 MET N 0.7776 0.0233 15 32 VAL N 0.8254 0.0188 16 33 GLY N 0.7668 0.0181 17 34 ALA N 0.6505 0.0215 18 43 LEU N 0.739 0.00984 19 44 GLN N 0.7971 0.0354 20 45 ILE N 0.7353 0.0163 21 46 LYS N 0.7654 0.00629 22 47 VAL N 0.7487 0.0215 23 50 GLU N 0.7667 0.0163 24 51 GLY N 0.7185 0.0204 25 52 ILE N 0.7585 0.027 26 53 ILE N 0.7273 0.0147 27 54 GLU N 0.732 0.00877 28 55 ASP N 0.7883 0.00395 29 56 ALA N 0.729 0.0145 30 57 ARG N 0.7234 0.0232 31 58 PHE N 0.6373 0.0365 32 59 LYS N 0.7127 0.0212 33 73 VAL N 0.7636 0.0172 34 74 THR N 0.724 0.0124 35 75 GLU N 0.753 0.0137 36 76 TRP N 0.8276 0.00844 37 77 VAL N 0.7881 0.0195 38 78 LYS N 0.8042 0.0548 39 79 GLY N 0.8093 0.0315 40 80 LYS N 0.7475 0.0163 41 81 SER N 0.7151 0.0127 42 82 LEU N 0.7388 0.0279 43 83 ASP N 0.6179 0.0262 44 84 GLU N 0.7135 0.00988 45 85 ALA N 0.7959 0.0163 46 86 GLN N 0.8268 0.0181 47 87 ALA N 0.7435 0.0168 48 88 ILE N 0.8408 0.0152 49 89 LYS N 0.7987 0.014 50 90 ALA N 0.8039 0.0223 51 91 THR N 0.6161 0.0216 52 92 ASP N 0.7955 0.00903 53 93 ILE N 0.7784 0.00892 54 94 ALA N 0.7761 0.0302 55 95 GLU N 0.8835 0.0151 56 97 LEU N 0.7812 0.0199 57 102 VAL N 0.51 0.0248 58 103 LYS N 0.702 0.0201 59 104 ILE N 0.7086 0.013 60 106 CYS N 0.6585 0.0202 61 107 SER N 0.73 0.0327 62 108 ILE N 0.8184 0.0658 63 109 LEU N 0.8307 0.014 64 110 ALA N 0.8288 0.0371 65 111 GLU N 0.8207 0.0149 66 112 ASP N 0.8202 0.00678 67 113 ALA N 0.8373 0.0217 68 114 ILE N 0.857 0.0067 69 115 LYS N 0.847 0.0215 70 116 ALA N 0.8607 0.0111 71 117 ALA N 0.8265 0.0127 72 118 ILE N 0.8277 0.0129 73 119 ALA N 0.8102 0.0124 74 120 ASP N 0.7705 0.026 75 121 TYR N 0.7384 0.0328 76 122 LYS N 0.7593 0.0211 77 123 SER N 0.7509 0.0144 78 124 LYS N 0.6735 0.0258 79 125 ARG N 0.647 0.0132 80 126 GLU N 0.4877 0.0207 81 127 ALA N 0.4412 0.0183 82 128 LYS N 0.78 0.0122 stop_ save_ save_heteronuclear_T2_list_1 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T2_coherence_type S(+,-) _T2_value_units s _Mol_system_component_name IscU(N90A) _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 15 ARG N 0.02346 0.00275 . . 2 16 ASN N 0.02977 0.00134 . . 3 17 VAL N 0.04824 0.00316 . . 4 18 GLY N 0.0563 0.00137 . . 5 19 SER N 0.06101 0.0122 . . 6 20 PHE N 0.06211 0.00144 . . 7 24 ASP N 0.06459 0.000534 . . 8 25 GLU N 0.04407 0.00063 . . 9 26 ASN N 0.06463 0.000378 . . 10 27 VAL N 0.05776 0.000886 . . 11 28 GLY N 0.06029 0.00219 . . 12 29 SER N 0.05604 0.00109 . . 13 30 GLY N 0.05701 0.00138 . . 14 31 MET N 0.06158 0.000244 . . 15 32 VAL N 0.05223 0.000755 . . 16 33 GLY N 0.06056 0.0005 . . 17 34 ALA N 0.08039 0.000359 . . 18 43 LEU N 0.06037 0.000312 . . 19 44 GLN N 0.0428 0.00243 . . 20 45 ILE N 0.05921 0.000805 . . 21 46 LYS N 0.06347 0.00059 . . 22 47 VAL N 0.06272 0.00102 . . 23 50 GLU N 0.06581 0.000467 . . 24 51 GLY N 0.06461 0.000497 . . 25 52 ILE N 0.06175 0.000604 . . 26 53 ILE N 0.06256 0.0013 . . 27 54 GLU N 0.05925 0.00148 . . 28 55 ASP N 0.0618 0.000504 . . 29 56 ALA N 0.06451 0.00103 . . 30 57 ARG N 0.06054 0.00112 . . 31 58 PHE N 0.05092 0.00148 . . 32 59 LYS N 0.04525 0.000599 . . 33 73 VAL N 0.04768 0.00065 . . 34 74 THR N 0.04339 0.000441 . . 35 75 GLU N 0.05528 0.000933 . . 36 76 TRP N 0.0515 0.00101 . . 37 77 VAL N 0.05135 0.000573 . . 38 78 LYS N 0.05451 0.000253 . . 39 79 GLY N 0.05994 0.000958 . . 40 80 LYS N 0.0579 0.000918 . . 41 81 SER N 0.06202 0.000662 . . 42 82 LEU N 0.05877 0.000923 . . 43 83 ASP N 0.06247 0.000371 . . 44 84 GLU N 0.06197 0.000356 . . 45 85 ALA N 0.05733 0.000378 . . 46 86 GLN N 0.05522 0.0004 . . 47 87 ALA N 0.06087 0.00057 . . 48 88 ILE N 0.06332 0.000412 . . 49 89 LYS N 0.06689 0.00127 . . 50 90 ALA N 0.06214 0.000594 . . 51 91 THR N 0.05569 0.000985 . . 52 92 ASP N 0.05855 0.000933 . . 53 93 ILE N 0.06071 0.00101 . . 54 94 ALA N 0.05388 0.000804 . . 55 95 GLU N 0.05598 0.00107 . . 56 97 LEU N 0.05772 0.00147 . . 57 102 VAL N 0.05166 0.00101 . . 58 103 LYS N 0.04992 0.000876 . . 59 104 ILE N 0.05316 0.000996 . . 60 106 CYS N 0.052 0.00163 . . 61 107 SER N 0.05276 0.00106 . . 62 108 ILE N 0.04645 0.00223 . . 63 109 LEU N 0.05035 0.00108 . . 64 110 ALA N 0.05287 0.000678 . . 65 111 GLU N 0.05277 0.00131 . . 66 112 ASP N 0.05373 0.00107 . . 67 113 ALA N 0.05092 0.000749 . . 68 114 ILE N 0.05294 0.000841 . . 69 115 LYS N 0.05072 0.000771 . . 70 116 ALA N 0.0556 0.000547 . . 71 117 ALA N 0.05764 0.000968 . . 72 118 ILE N 0.05733 0.00078 . . 73 119 ALA N 0.05568 0.000652 . . 74 120 ASP N 0.0564 0.000493 . . 75 121 TYR N 0.05748 0.000964 . . 76 122 LYS N 0.05614 0.000845 . . 77 123 SER N 0.0585 0.000231 . . 78 124 LYS N 0.06148 0.000593 . . 79 125 ARG N 0.06635 0.000446 . . 80 126 GLU N 0.1003 0.000285 . . 81 127 ALA N 0.1807 0.00317 . . 82 128 LYS N 0.337 0.00369 . . stop_ save_ save_heteronuclear_noe_list_1 _Saveframe_category heteronuclear_NOE _Details . loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _Mol_system_component_name IscU(N90A) _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'relative intensities' _NOE_reference_value 1 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 15 ARG 0.66427029 0.046882177 16 ASN 0.785738938 0.086932739 17 VAL 0.770666595 0.055797641 18 GLY 0.784609503 0.032183152 19 SER 0.625129652 0.402664111 20 PHE 0.797417934 0.078780742 24 ASP 0.72618365 0.033414538 25 GLU 0.771025297 0.003412355 26 ASN 0.775622732 0.000934774 27 VAL 0.848046795 0.029035556 28 GLY 0.867618733 0.006427539 29 SER 0.93372573 0.030477593 30 GLY 0.845521709 0.082729924 31 MET 0.799180111 0.023043698 32 VAL 0.800503729 0.023386145 33 GLY 0.782480683 0.007135712 34 ALA 0.638986871 0.012614732 43 LEU 0.820925767 0.009677601 44 GLN 0.80902058 0.157700206 45 ILE 0.898263683 0.01664401 46 LYS 0.826752581 0.016748048 47 VAL 0.845758347 0.003182483 50 GLU 0.747130975 0.009627619 51 GLY 0.797927954 0.023237897 52 ILE 0.840784476 0.003360001 53 ILE 0.873228458 0.012544913 54 GLU 0.832837 0.024993475 55 ASP 0.817971209 0.052725451 56 ALA 0.841175639 0.02721018 57 ARG 0.880069548 0.138081461 58 PHE 0.871704958 0.01757952 59 LYS 0.78122699 0.137068042 73 VAL 0.779289616 0.008793554 74 THR 0.934559127 0.015858999 75 GLU 0.904236478 0.001260893 76 TRP 0.937993941 0.027306105 77 VAL 0.883634863 0.056868689 78 LYS 0.82914516 0.006661071 79 GLY 0.857631853 0.020049519 80 LYS 0.865262636 0.032259348 81 SER 0.816586638 0.103781735 82 LEU 0.819323861 0.036680341 83 ASP 0.891948313 0.005030646 84 GLU 0.870915981 0.019825277 85 ALA 0.811694125 0.059402911 86 GLN 0.793255938 0.046813605 87 ALA 0.824532952 0.008656671 88 ILE 0.785814045 0.013814111 89 LYS 0.76161138 0.001449821 90 ALA 0.833941856 0.057216265 91 THR 0.915286099 0.020663132 92 ASP 0.829667875 0.013806844 93 ILE 0.829593802 0.007875868 94 ALA 0.785030176 0.016343371 95 GLU 0.817026442 0.000635371 97 LEU 0.883695602 0.054257665 102 VAL 0.799647861 0.069247982 103 LYS 0.799845704 0.019019682 104 ILE 0.879505953 0.039379482 106 CYS 0.897734668 0.033612568 107 SER 0.883660818 0.071440041 108 ILE 0.814351955 0.020643247 109 LEU 0.81619419 0.001122995 110 ALA 0.805992514 0.017042289 111 GLU 0.826162555 0.060231205 112 ASP 0.835394205 0.011240007 113 ALA 0.850188743 0.137919401 114 ILE 0.879217235 0.009809636 115 LYS 0.773317791 0.007085336 116 ALA 0.86740742 0.059813917 117 ALA 0.811264074 0.027099614 118 ILE 0.863688793 0.032208422 119 ALA 0.846839332 0.012742192 120 ASP 0.847950424 0.030648384 121 TYR 0.827762854 0.016772444 122 LYS 0.823839422 0.020058657 123 SER 0.83569353 0.01448607 124 LYS 0.791964421 0.010269248 125 ARG 0.75945817 0.011280577 126 GLU 0.584621971 0.002325558 127 ALA 0.075982932 0.019975091 128 LYS -0.666534451 0.00611971 stop_ save_