data_18359 ####################### # 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(D39V) ; _BMRB_accession_number 18359 _BMRB_flat_file_name bmr18359.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" 102 "13C chemical shifts" 306 "15N chemical shifts" 102 "T1 relaxation values" 95 "T2 relaxation values" 95 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-09-14 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 18360 IscU(E111A) 18361 IscU(N90A) 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(D39V) _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label IscU(D39V) $IscU(D39V) 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(D39V) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common IscU(D39V) _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 128 _Mol_residue_sequence ; MAYSEKVIDHYENPRNVGSF DNNDENVGSGMVGAPACGVV MKLQIKVNDEGIIEDARFKT YGCGSAIASSSLVTEWVKGK SLDEAQAIKNTDIAEELELP 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 VAL 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 ASN 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 99.22 99.22 2.60e-86 BMRB 16245 IscU 100.00 130 99.22 99.22 9.23e-86 BMRB 16603 IscU 100.00 128 99.22 99.22 2.60e-86 BMRB 17282 IscU 100.00 128 99.22 99.22 9.54e-86 BMRB 17836 IscU 100.00 128 99.22 99.22 9.54e-86 BMRB 17837 IscU 100.00 128 99.22 99.22 9.54e-86 BMRB 17844 IscU 100.00 128 99.22 99.22 9.54e-86 BMRB 18360 IscU(E111A) 100.00 128 98.44 98.44 5.91e-85 BMRB 18361 IscU(N90A) 100.00 128 98.44 98.44 1.23e-84 BMRB 18362 IscU(S107A) 100.00 128 98.44 99.22 2.75e-85 BMRB 18381 IscU 100.00 128 99.22 99.22 9.54e-86 BMRB 18750 IscU 100.00 128 99.22 99.22 9.54e-86 BMRB 18754 IscU 100.00 128 99.22 99.22 9.54e-86 PDB 2KQK "Solution Structure Of Apo-Iscu(D39a)" 100.00 128 99.22 99.22 2.60e-86 PDB 2L4X "Solution Structure Of Apo-Iscu(Wt)" 100.00 128 99.22 99.22 9.54e-86 PDB 3LVL "Crystal Structure Of E.Coli Iscs-Iscu Complex" 99.22 129 99.21 99.21 1.02e-84 DBJ BAA16423 "scaffold protein [Escherichia coli str. K12 substr. W3110]" 100.00 128 99.22 99.22 9.54e-86 DBJ BAB36818 "NifU-like protein [Escherichia coli O157:H7 str. Sakai]" 100.00 128 99.22 99.22 9.54e-86 DBJ BAG78339 "conserved hypothetical protein [Escherichia coli SE11]" 100.00 128 99.22 99.22 9.54e-86 DBJ BAI26774 "scaffold protein IscU [Escherichia coli O26:H11 str. 11368]" 100.00 128 99.22 99.22 9.54e-86 DBJ BAI31803 "scaffold protein IscU [Escherichia coli O103:H2 str. 12009]" 100.00 128 99.22 99.22 9.54e-86 EMBL CAD02745 "NifU-like protein [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 100.00 128 97.66 99.22 9.66e-85 EMBL CAP76981 "NifU-like protein [Escherichia coli LF82]" 100.00 128 98.44 98.44 5.30e-85 EMBL CAQ32902 "scaffold protein involved in iron-sulfur cluster assembly [Escherichia coli BL21(DE3)]" 100.00 128 99.22 99.22 9.54e-86 EMBL CAQ88187 "scaffold protein [Escherichia fergusonii ATCC 35469]" 100.00 128 99.22 99.22 9.54e-86 EMBL CAQ99420 "scaffold protein [Escherichia coli IAI1]" 100.00 128 99.22 99.22 9.54e-86 GB AAC75582 "iron-sulfur cluster assembly scaffold protein [Escherichia coli str. K-12 substr. MG1655]" 100.00 128 99.22 99.22 9.54e-86 GB AAG57643 "orf, hypothetical protein [Escherichia coli O157:H7 str. EDL933]" 100.00 128 99.22 99.22 9.54e-86 GB AAL21436 "NifU homolog [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" 100.00 128 97.66 99.22 9.66e-85 GB AAN44075 "conserved hypothetical protein [Shigella flexneri 2a str. 301]" 100.00 128 99.22 99.22 9.54e-86 GB AAN81505 "NifU-like protein [Escherichia coli CFT073]" 100.00 128 99.22 99.22 9.54e-86 PIR AE0824 "NifU-like protein [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" 100.00 128 97.66 99.22 9.66e-85 REF NP_311422 "scaffold protein [Escherichia coli O157:H7 str. Sakai]" 100.00 128 99.22 99.22 9.54e-86 REF NP_417024 "iron-sulfur cluster assembly scaffold protein [Escherichia coli str. K-12 substr. MG1655]" 100.00 128 99.22 99.22 9.54e-86 REF NP_457073 "NifU-like protein [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 100.00 128 97.66 99.22 9.66e-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 9.66e-85 REF NP_708368 "scaffold protein [Shigella flexneri 2a str. 301]" 100.00 128 99.22 99.22 9.54e-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 9.54e-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 9.54e-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 9.54e-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 9.54e-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(D39V) '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(D39V) '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(D39V) . 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 VXRS _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(D39V) _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 14 14 PRO C C 177.309 0.000 1 2 14 14 PRO CA C 63.671 0.000 1 3 14 14 PRO CB C 32.107 0.000 1 4 15 15 ARG H H 9.365 0.008 1 5 15 15 ARG C C 174.843 0.000 1 6 15 15 ARG CA C 55.521 0.000 1 7 15 15 ARG CB C 32.500 0.000 1 8 15 15 ARG N N 123.453 0.021 1 9 16 16 ASN H H 8.291 0.005 1 10 16 16 ASN C C 174.065 0.000 1 11 16 16 ASN CA C 54.198 0.005 1 12 16 16 ASN CB C 37.111 0.020 1 13 16 16 ASN N N 109.502 0.023 1 14 17 17 VAL H H 7.647 0.007 1 15 17 17 VAL C C 177.739 0.000 1 16 17 17 VAL CA C 62.291 0.024 1 17 17 17 VAL CB C 31.534 0.050 1 18 17 17 VAL N N 118.335 0.056 1 19 18 18 GLY H H 8.602 0.003 1 20 18 18 GLY C C 170.346 0.000 1 21 18 18 GLY CA C 44.602 0.047 1 22 18 18 GLY N N 115.207 0.029 1 23 19 19 SER H H 8.055 0.006 1 24 19 19 SER C C 173.070 0.000 1 25 19 19 SER CA C 56.925 0.001 1 26 19 19 SER CB C 66.007 0.001 1 27 19 19 SER N N 112.119 0.009 1 28 20 20 PHE H H 8.868 0.004 1 29 20 20 PHE CA C 55.419 0.000 1 30 20 20 PHE CB C 42.043 0.000 1 31 20 20 PHE N N 120.589 0.014 1 32 23 23 ASN C C 175.394 0.000 1 33 23 23 ASN CA C 53.290 0.008 1 34 23 23 ASN CB C 38.344 0.026 1 35 24 24 ASP H H 7.536 0.003 1 36 24 24 ASP C C 177.758 0.000 1 37 24 24 ASP CA C 54.773 0.021 1 38 24 24 ASP CB C 41.563 0.034 1 39 24 24 ASP N N 122.460 0.033 1 40 25 25 GLU H H 9.061 0.007 1 41 25 25 GLU C C 175.740 0.000 1 42 25 25 GLU CA C 58.351 0.010 1 43 25 25 GLU CB C 29.504 0.032 1 44 25 25 GLU N N 125.401 0.034 1 45 26 26 ASN H H 8.777 0.004 1 46 26 26 ASN C C 173.020 0.000 1 47 26 26 ASN CA C 53.029 0.024 1 48 26 26 ASN CB C 38.295 0.024 1 49 26 26 ASN N N 115.871 0.015 1 50 27 27 VAL H H 7.384 0.003 1 51 27 27 VAL C C 176.931 0.000 1 52 27 27 VAL CA C 59.990 0.017 1 53 27 27 VAL CB C 35.216 0.012 1 54 27 27 VAL N N 119.066 0.023 1 55 28 28 GLY H H 8.830 0.001 1 56 28 28 GLY C C 173.162 0.000 1 57 28 28 GLY CA C 44.312 0.032 1 58 28 28 GLY N N 112.422 0.014 1 59 29 29 SER H H 10.480 0.003 1 60 29 29 SER C C 172.367 0.000 1 61 29 29 SER CA C 57.708 0.034 1 62 29 29 SER CB C 64.719 0.038 1 63 29 29 SER N N 121.082 0.014 1 64 30 30 GLY H H 9.584 0.003 1 65 30 30 GLY C C 171.216 0.000 1 66 30 30 GLY CA C 44.639 0.022 1 67 30 30 GLY N N 113.109 0.034 1 68 31 31 MET H H 8.691 0.007 1 69 31 31 MET C C 174.735 0.000 1 70 31 31 MET CA C 55.040 0.008 1 71 31 31 MET CB C 34.935 0.042 1 72 31 31 MET N N 125.232 0.028 1 73 32 32 VAL H H 8.986 0.004 1 74 32 32 VAL C C 174.458 0.000 1 75 32 32 VAL CA C 59.244 0.031 1 76 32 32 VAL CB C 35.674 0.000 1 77 32 32 VAL N N 119.319 0.014 1 78 33 33 GLY H H 8.534 0.008 1 79 33 33 GLY C C 172.385 0.000 1 80 33 33 GLY CA C 44.991 0.020 1 81 33 33 GLY N N 107.951 0.014 1 82 34 34 ALA H H 8.295 0.002 1 83 34 34 ALA CA C 49.736 0.000 1 84 34 34 ALA CB C 20.242 0.000 1 85 34 34 ALA N N 121.565 0.015 1 86 36 36 ALA C C 178.732 0.000 1 87 36 36 ALA CA C 54.608 0.000 1 88 36 36 ALA CB C 18.449 0.000 1 89 37 37 CYS H H 7.595 0.008 1 90 37 37 CYS C C 175.062 0.000 1 91 37 37 CYS CA C 57.555 0.002 1 92 37 37 CYS CB C 28.785 0.053 1 93 37 37 CYS N N 111.547 0.051 1 94 38 38 GLY H H 7.842 0.002 1 95 38 38 GLY C C 173.550 0.000 1 96 38 38 GLY CA C 46.316 0.021 1 97 38 38 GLY N N 109.148 0.039 1 98 39 39 VAL H H 7.151 0.005 1 99 39 39 VAL C C 175.099 0.000 1 100 39 39 VAL CA C 60.928 0.026 1 101 39 39 VAL CB C 35.047 0.034 1 102 39 39 VAL N N 117.556 0.025 1 103 40 40 VAL H H 8.676 0.003 1 104 40 40 VAL C C 174.322 0.000 1 105 40 40 VAL CA C 62.359 0.011 1 106 40 40 VAL CB C 35.421 0.020 1 107 40 40 VAL N N 126.942 0.036 1 108 41 41 MET H H 9.038 0.002 1 109 41 41 MET C C 172.879 0.000 1 110 41 41 MET CA C 55.285 0.013 1 111 41 41 MET CB C 36.398 0.038 1 112 41 41 MET N N 127.408 0.031 1 113 42 42 LYS H H 8.356 0.002 1 114 42 42 LYS C C 174.262 0.000 1 115 42 42 LYS CA C 54.948 0.066 1 116 42 42 LYS CB C 34.675 0.027 1 117 42 42 LYS N N 125.827 0.032 1 118 43 43 LEU H H 8.987 0.002 1 119 43 43 LEU C C 175.429 0.000 1 120 43 43 LEU CA C 53.686 0.028 1 121 43 43 LEU CB C 46.356 0.022 1 122 43 43 LEU N N 126.615 0.016 1 123 44 44 GLN H H 9.403 0.004 1 124 44 44 GLN C C 175.204 0.000 1 125 44 44 GLN CA C 53.662 0.005 1 126 44 44 GLN CB C 36.317 0.010 1 127 44 44 GLN N N 120.445 0.021 1 128 45 45 ILE H H 9.261 0.004 1 129 45 45 ILE CA C 58.953 0.027 1 130 45 45 ILE CB C 41.284 0.027 1 131 45 45 ILE N N 112.886 0.011 1 132 46 46 LYS H H 8.317 0.002 1 133 46 46 LYS C C 174.638 0.000 1 134 46 46 LYS CA C 54.866 0.010 1 135 46 46 LYS CB C 35.102 0.031 1 136 46 46 LYS N N 123.691 0.006 1 137 47 47 VAL H H 8.568 0.004 1 138 47 47 VAL C C 176.543 0.000 1 139 47 47 VAL CA C 60.983 0.021 1 140 47 47 VAL CB C 33.914 0.039 1 141 47 47 VAL N N 128.545 0.030 1 142 48 48 ASN H H 8.942 0.004 1 143 48 48 ASN C C 177.122 0.000 1 144 48 48 ASN CA C 51.299 0.023 1 145 48 48 ASN CB C 38.817 0.035 1 146 48 48 ASN N N 126.344 0.037 1 147 49 49 ASP H H 8.428 0.009 1 148 49 49 ASP C C 177.183 0.000 1 149 49 49 ASP CA C 56.657 0.048 1 150 49 49 ASP CB C 40.398 0.027 1 151 49 49 ASP N N 116.974 0.007 1 152 50 50 GLU H H 7.841 0.003 1 153 50 50 GLU C C 176.590 0.000 1 154 50 50 GLU CA C 56.002 0.013 1 155 50 50 GLU CB C 29.951 0.033 1 156 50 50 GLU N N 117.858 0.020 1 157 51 51 GLY H H 8.088 0.003 1 158 51 51 GLY C C 172.651 0.000 1 159 51 51 GLY CA C 45.756 0.025 1 160 51 51 GLY N N 107.825 0.018 1 161 52 52 ILE H H 7.552 0.003 1 162 52 52 ILE C C 175.396 0.000 1 163 52 52 ILE CA C 57.776 0.027 1 164 52 52 ILE CB C 37.701 0.027 1 165 52 52 ILE N N 119.974 0.024 1 166 53 53 ILE H H 8.737 0.003 1 167 53 53 ILE C C 174.593 0.000 1 168 53 53 ILE CA C 62.561 0.017 1 169 53 53 ILE CB C 36.461 0.027 1 170 53 53 ILE N N 127.156 0.023 1 171 54 54 GLU H H 8.937 0.003 1 172 54 54 GLU C C 176.033 0.000 1 173 54 54 GLU CA C 56.283 0.014 1 174 54 54 GLU CB C 32.004 0.063 1 175 54 54 GLU N N 130.375 0.011 1 176 55 55 ASP H H 8.070 0.003 1 177 55 55 ASP C C 172.401 0.000 1 178 55 55 ASP CA C 52.779 0.026 1 179 55 55 ASP CB C 44.052 0.031 1 180 55 55 ASP N N 116.048 0.024 1 181 56 56 ALA H H 8.980 0.002 1 182 56 56 ALA C C 174.856 0.000 1 183 56 56 ALA CA C 52.173 0.017 1 184 56 56 ALA CB C 22.842 0.036 1 185 56 56 ALA N N 123.659 0.013 1 186 57 57 ARG H H 8.854 0.001 1 187 57 57 ARG C C 174.454 0.000 1 188 57 57 ARG CA C 53.366 0.027 1 189 57 57 ARG CB C 36.860 0.052 1 190 57 57 ARG N N 118.014 0.022 1 191 58 58 PHE H H 8.442 0.003 1 192 58 58 PHE C C 172.707 0.000 1 193 58 58 PHE CA C 56.147 0.006 1 194 58 58 PHE CB C 43.574 0.024 1 195 58 58 PHE N N 116.776 0.024 1 196 59 59 LYS H H 8.753 0.003 1 197 59 59 LYS C C 175.399 0.000 1 198 59 59 LYS CA C 56.606 0.036 1 199 59 59 LYS CB C 35.206 0.041 1 200 59 59 LYS N N 119.855 0.028 1 201 60 60 THR H H 8.382 0.004 1 202 60 60 THR C C 171.956 0.000 1 203 60 60 THR CA C 60.698 0.030 1 204 60 60 THR CB C 73.116 0.000 1 205 60 60 THR N N 123.703 0.016 1 206 61 61 TYR H H 9.110 0.003 1 207 61 61 TYR C C 174.065 0.000 1 208 61 61 TYR CA C 56.080 0.014 1 209 61 61 TYR CB C 39.778 0.002 1 210 61 61 TYR N N 127.070 0.025 1 211 62 62 GLY H H 8.128 0.007 1 212 62 62 GLY C C 171.327 0.000 1 213 62 62 GLY CA C 45.662 0.014 1 214 62 62 GLY N N 109.416 0.022 1 215 63 63 CYS H H 7.072 0.002 1 216 63 63 CYS CA C 58.005 0.000 1 217 63 63 CYS CB C 31.071 0.000 1 218 63 63 CYS N N 118.209 0.021 1 219 68 68 ALA C C 178.870 0.000 1 220 68 68 ALA CA C 54.993 0.030 1 221 68 68 ALA CB C 19.321 0.070 1 222 69 69 SER H H 7.582 0.005 1 223 69 69 SER C C 174.487 0.000 1 224 69 69 SER CA C 62.882 0.000 1 225 69 69 SER CB C 63.518 0.000 1 226 69 69 SER N N 112.059 0.038 1 227 70 70 SER H H 7.049 0.003 1 228 70 70 SER C C 174.415 0.000 1 229 70 70 SER CA C 61.216 0.009 1 230 70 70 SER CB C 62.414 0.045 1 231 70 70 SER N N 115.120 0.021 1 232 71 71 SER H H 7.635 0.003 1 233 71 71 SER C C 176.862 0.000 1 234 71 71 SER CA C 60.743 0.007 1 235 71 71 SER CB C 62.066 0.002 1 236 71 71 SER N N 117.577 0.030 1 237 72 72 LEU H H 7.887 0.004 1 238 72 72 LEU C C 178.799 0.000 1 239 72 72 LEU CA C 58.109 0.015 1 240 72 72 LEU CB C 42.085 0.029 1 241 72 72 LEU N N 118.568 0.011 1 242 73 73 VAL H H 7.483 0.003 1 243 73 73 VAL C C 177.339 0.000 1 244 73 73 VAL CA C 67.109 0.044 1 245 73 73 VAL CB C 31.295 0.022 1 246 73 73 VAL N N 113.978 0.016 1 247 74 74 THR H H 7.751 0.004 1 248 74 74 THR C C 175.173 0.000 1 249 74 74 THR CA C 65.904 0.013 1 250 74 74 THR CB C 68.448 0.047 1 251 74 74 THR N N 109.442 0.012 1 252 75 75 GLU H H 7.351 0.004 1 253 75 75 GLU C C 179.657 0.000 1 254 75 75 GLU CA C 58.381 0.013 1 255 75 75 GLU CB C 30.349 0.034 1 256 75 75 GLU N N 117.579 0.037 1 257 76 76 TRP H H 8.695 0.000 1 258 76 76 TRP HE1 H 10.296 0.000 1 259 76 76 TRP C C 178.445 0.000 1 260 76 76 TRP CA C 59.162 0.006 1 261 76 76 TRP CB C 30.159 0.000 1 262 76 76 TRP N N 120.175 0.023 1 263 76 76 TRP NE1 N 129.124 0.000 1 264 77 77 VAL H H 8.134 0.004 1 265 77 77 VAL C C 175.485 0.000 1 266 77 77 VAL CA C 63.762 0.018 1 267 77 77 VAL CB C 31.633 0.024 1 268 77 77 VAL N N 107.694 0.007 1 269 78 78 LYS H H 6.725 0.000 1 270 78 78 LYS C C 177.766 0.000 1 271 78 78 LYS CA C 59.141 0.015 1 272 78 78 LYS CB C 32.150 0.053 1 273 78 78 LYS N N 118.127 0.017 1 274 79 79 GLY H H 9.458 0.004 1 275 79 79 GLY C C 174.164 0.000 1 276 79 79 GLY CA C 45.232 0.031 1 277 79 79 GLY N N 112.553 0.017 1 278 80 80 LYS H H 7.934 0.003 1 279 80 80 LYS C C 176.113 0.000 1 280 80 80 LYS CA C 54.725 0.025 1 281 80 80 LYS CB C 33.890 0.046 1 282 80 80 LYS N N 120.301 0.030 1 283 81 81 SER H H 9.013 0.005 1 284 81 81 SER C C 175.433 0.000 1 285 81 81 SER CA C 57.133 0.011 1 286 81 81 SER CB C 65.079 0.023 1 287 81 81 SER N N 116.223 0.021 1 288 82 82 LEU H H 8.048 0.003 1 289 82 82 LEU C C 178.980 0.000 1 290 82 82 LEU CA C 58.787 0.017 1 291 82 82 LEU CB C 41.119 0.075 1 292 82 82 LEU N N 118.593 0.032 1 293 83 83 ASP H H 8.152 0.005 1 294 83 83 ASP C C 179.224 0.000 1 295 83 83 ASP CA C 57.340 0.020 1 296 83 83 ASP CB C 40.557 0.028 1 297 83 83 ASP N N 116.042 0.023 1 298 84 84 GLU H H 7.818 0.005 1 299 84 84 GLU C C 180.043 0.000 1 300 84 84 GLU CA C 58.912 0.012 1 301 84 84 GLU CB C 30.523 0.032 1 302 84 84 GLU N N 120.796 0.028 1 303 85 85 ALA H H 8.685 0.003 1 304 85 85 ALA C C 178.365 0.000 1 305 85 85 ALA CA C 54.667 0.018 1 306 85 85 ALA CB C 18.648 0.045 1 307 85 85 ALA N N 122.645 0.013 1 308 86 86 GLN H H 7.861 0.007 1 309 86 86 GLN C C 174.783 0.000 1 310 86 86 GLN CA C 57.499 0.003 1 311 86 86 GLN CB C 28.736 0.035 1 312 86 86 GLN N N 115.246 0.047 1 313 87 87 ALA H H 7.140 0.001 1 314 87 87 ALA C C 177.734 0.000 1 315 87 87 ALA CA C 51.870 0.015 1 316 87 87 ALA CB C 18.924 0.038 1 317 87 87 ALA N N 117.980 0.012 1 318 88 88 ILE H H 7.116 0.004 1 319 88 88 ILE C C 174.302 0.000 1 320 88 88 ILE CA C 62.823 0.024 1 321 88 88 ILE CB C 37.839 0.028 1 322 88 88 ILE N N 120.621 0.024 1 323 89 89 LYS H H 8.422 0.003 1 324 89 89 LYS C C 179.148 0.000 1 325 89 89 LYS CA C 53.924 0.015 1 326 89 89 LYS CB C 35.744 0.030 1 327 89 89 LYS N N 124.986 0.025 1 328 90 90 ASN H H 9.480 0.002 1 329 90 90 ASN C C 176.030 0.000 1 330 90 90 ASN CA C 57.307 0.026 1 331 90 90 ASN CB C 38.148 0.032 1 332 90 90 ASN N N 121.369 0.033 1 333 91 91 THR H H 7.239 0.003 1 334 91 91 THR C C 176.715 0.000 1 335 91 91 THR CA C 64.626 0.023 1 336 91 91 THR CB C 67.464 0.017 1 337 91 91 THR N N 110.097 0.016 1 338 92 92 ASP H H 7.137 0.001 1 339 92 92 ASP C C 178.865 0.000 1 340 92 92 ASP CA C 57.525 0.023 1 341 92 92 ASP CB C 40.803 0.029 1 342 92 92 ASP N N 121.998 0.011 1 343 93 93 ILE H H 7.157 0.002 1 344 93 93 ILE C C 176.562 0.000 1 345 93 93 ILE CA C 64.476 0.052 1 346 93 93 ILE CB C 39.272 0.010 1 347 93 93 ILE N N 120.624 0.036 1 348 94 94 ALA H H 8.224 0.002 1 349 94 94 ALA C C 179.859 0.000 1 350 94 94 ALA CA C 55.412 0.010 1 351 94 94 ALA CB C 18.580 0.023 1 352 94 94 ALA N N 118.705 0.017 1 353 95 95 GLU H H 8.075 0.002 1 354 95 95 GLU C C 179.584 0.000 1 355 95 95 GLU CA C 59.020 0.013 1 356 95 95 GLU CB C 29.709 0.025 1 357 95 95 GLU N N 116.449 0.021 1 358 96 96 GLU H H 7.729 0.004 1 359 96 96 GLU C C 177.864 0.000 1 360 96 96 GLU CA C 58.982 0.013 1 361 96 96 GLU CB C 29.214 0.043 1 362 96 96 GLU N N 120.547 0.018 1 363 97 97 LEU H H 7.339 0.003 1 364 97 97 LEU C C 175.293 0.000 1 365 97 97 LEU CA C 54.252 0.030 1 366 97 97 LEU CB C 41.819 0.065 1 367 97 97 LEU N N 112.649 0.024 1 368 98 98 GLU H H 7.789 0.003 1 369 98 98 GLU C C 176.541 0.000 1 370 98 98 GLU CA C 56.578 0.029 1 371 98 98 GLU CB C 27.117 0.018 1 372 98 98 GLU N N 119.029 0.079 1 373 99 99 LEU H H 7.879 0.005 1 374 99 99 LEU CA C 53.162 0.000 1 375 99 99 LEU CB C 41.620 0.000 1 376 99 99 LEU N N 116.951 0.021 1 377 101 101 PRO C C 179.606 0.000 1 378 101 101 PRO CA C 66.240 0.000 1 379 101 101 PRO CB C 32.057 0.000 1 380 102 102 VAL H H 7.668 0.011 1 381 102 102 VAL C C 175.932 0.000 1 382 102 102 VAL CA C 63.505 0.012 1 383 102 102 VAL CB C 31.508 0.018 1 384 102 102 VAL N N 110.552 0.028 1 385 103 103 LYS H H 8.146 0.003 1 386 103 103 LYS C C 177.864 0.000 1 387 103 103 LYS CA C 53.193 0.026 1 388 103 103 LYS CB C 33.950 0.021 1 389 103 103 LYS N N 116.085 0.025 1 390 104 104 ILE H H 7.625 0.003 1 391 104 104 ILE CA C 63.674 0.000 1 392 104 104 ILE CB C 37.538 0.000 1 393 104 104 ILE N N 122.860 0.033 1 394 105 105 HIS C C 176.611 0.000 1 395 105 105 HIS CA C 59.499 0.000 1 396 105 105 HIS CB C 29.182 0.000 1 397 106 106 CYS H H 7.380 0.001 1 398 106 106 CYS C C 175.500 0.000 1 399 106 106 CYS CA C 63.776 0.067 1 400 106 106 CYS CB C 27.522 0.048 1 401 106 106 CYS N N 118.686 0.011 1 402 107 107 SER H H 7.396 0.003 1 403 107 107 SER C C 174.494 0.000 1 404 107 107 SER CA C 61.115 0.014 1 405 107 107 SER CB C 63.269 0.049 1 406 107 107 SER N N 113.177 0.036 1 407 108 108 ILE H H 6.897 0.002 1 408 108 108 ILE C C 177.222 0.000 1 409 108 108 ILE CA C 65.061 0.000 1 410 108 108 ILE CB C 38.551 0.056 1 411 108 108 ILE N N 126.469 0.018 1 412 109 109 LEU H H 8.064 0.005 1 413 109 109 LEU C C 177.624 0.000 1 414 109 109 LEU CA C 57.792 0.046 1 415 109 109 LEU CB C 41.338 0.058 1 416 109 109 LEU N N 118.744 0.043 1 417 110 110 ALA H H 7.176 0.003 1 418 110 110 ALA C C 178.281 0.000 1 419 110 110 ALA CA C 55.402 0.014 1 420 110 110 ALA CB C 17.945 0.047 1 421 110 110 ALA N N 118.346 0.032 1 422 111 111 GLU H H 7.368 0.003 1 423 111 111 GLU C C 177.876 0.000 1 424 111 111 GLU CA C 59.644 0.028 1 425 111 111 GLU CB C 29.302 0.032 1 426 111 111 GLU N N 117.833 0.016 1 427 112 112 ASP H H 8.650 0.005 1 428 112 112 ASP C C 179.827 0.000 1 429 112 112 ASP CA C 57.378 0.024 1 430 112 112 ASP CB C 40.002 0.041 1 431 112 112 ASP N N 119.555 0.020 1 432 113 113 ALA H H 9.041 0.006 1 433 113 113 ALA C C 179.320 0.000 1 434 113 113 ALA CA C 55.747 0.039 1 435 113 113 ALA CB C 17.961 0.048 1 436 113 113 ALA N N 124.314 0.028 1 437 114 114 ILE H H 7.873 0.005 1 438 114 114 ILE C C 177.767 0.000 1 439 114 114 ILE CA C 63.112 0.054 1 440 114 114 ILE CB C 37.409 0.019 1 441 114 114 ILE N N 117.996 0.034 1 442 115 115 LYS H H 8.002 0.005 1 443 115 115 LYS C C 179.941 0.000 1 444 115 115 LYS CA C 61.033 0.022 1 445 115 115 LYS CB C 32.225 0.079 1 446 115 115 LYS N N 120.059 0.023 1 447 116 116 ALA H H 8.594 0.003 1 448 116 116 ALA C C 180.020 0.000 1 449 116 116 ALA CA C 54.826 0.010 1 450 116 116 ALA CB C 17.962 0.030 1 451 116 116 ALA N N 122.908 0.033 1 452 117 117 ALA H H 8.422 0.004 1 453 117 117 ALA C C 179.690 0.000 1 454 117 117 ALA CA C 55.434 0.009 1 455 117 117 ALA CB C 17.944 0.055 1 456 117 117 ALA N N 124.702 0.024 1 457 118 118 ILE H H 8.246 0.003 1 458 118 118 ILE C C 177.416 0.000 1 459 118 118 ILE CA C 66.259 0.044 1 460 118 118 ILE CB C 38.887 0.031 1 461 118 118 ILE N N 118.771 0.027 1 462 119 119 ALA H H 8.148 0.002 1 463 119 119 ALA C C 180.757 0.000 1 464 119 119 ALA CA C 55.298 0.021 1 465 119 119 ALA CB C 17.898 0.036 1 466 119 119 ALA N N 121.522 0.027 1 467 120 120 ASP H H 8.326 0.004 1 468 120 120 ASP C C 178.395 0.000 1 469 120 120 ASP CA C 57.854 0.015 1 470 120 120 ASP CB C 43.695 0.037 1 471 120 120 ASP N N 119.824 0.034 1 472 121 121 TYR H H 8.244 0.004 1 473 121 121 TYR C C 177.558 0.000 1 474 121 121 TYR CA C 62.364 0.027 1 475 121 121 TYR CB C 38.192 0.032 1 476 121 121 TYR N N 119.479 0.017 1 477 122 122 LYS H H 8.692 0.003 1 478 122 122 LYS C C 179.476 0.000 1 479 122 122 LYS CA C 60.436 0.026 1 480 122 122 LYS CB C 32.463 0.029 1 481 122 122 LYS N N 117.626 0.027 1 482 123 123 SER H H 8.245 0.004 1 483 123 123 SER C C 176.391 0.000 1 484 123 123 SER CA C 61.283 0.030 1 485 123 123 SER CB C 62.944 0.010 1 486 123 123 SER N N 115.024 0.029 1 487 124 124 LYS H H 7.560 0.003 1 488 124 124 LYS C C 177.962 0.000 1 489 124 124 LYS CA C 58.461 0.011 1 490 124 124 LYS CB C 32.741 0.025 1 491 124 124 LYS N N 121.467 0.048 1 492 125 125 ARG H H 7.471 0.003 1 493 125 125 ARG C C 176.859 0.000 1 494 125 125 ARG CA C 55.935 0.033 1 495 125 125 ARG CB C 29.982 0.039 1 496 125 125 ARG N N 117.625 0.020 1 497 126 126 GLU H H 7.764 0.003 1 498 126 126 GLU C C 176.133 0.000 1 499 126 126 GLU CA C 56.735 0.014 1 500 126 126 GLU CB C 30.211 0.030 1 501 126 126 GLU N N 119.630 0.018 1 502 127 127 ALA H H 7.983 0.006 1 503 127 127 ALA C C 176.675 0.000 1 504 127 127 ALA CA C 52.510 0.014 1 505 127 127 ALA CB C 19.043 0.031 1 506 127 127 ALA N N 124.711 0.021 1 507 128 128 LYS H H 7.789 0.006 1 508 128 128 LYS CA C 57.615 0.000 1 509 128 128 LYS CB C 33.733 0.000 1 510 128 128 LYS N N 126.154 0.022 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(D39V) _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 15 ARG N 0.44305 0.059184838 2 16 ASN N 0.42065 0.028779246 3 17 VAL N 0.49225 0.009828784 4 18 GLY N 0.4358 0.002262742 5 20 PHE N 0.45725 0.000494975 6 24 ASP N 0.48745 0.002757716 7 25 GLU N 0.4261 0.004666905 8 26 ASN N 0.48425 0.010535891 9 27 VAL N 0.59505 0.003606245 10 28 GLY N 0.6104 0.013010765 11 29 SER N 0.6415 0.013293607 12 30 GLY N 0.63655 0.014919953 13 31 MET N 0.6137 0.00834386 14 32 VAL N 0.65285 0.008273149 15 33 GLY N 0.5018 0.005656854 16 34 ALA N 0.5054 0.001414214 17 37 CYS N 0.45945 0.03132483 18 38 GLY N 0.3634 0.024183052 19 39 VAL N 0.55315 0.012091526 20 40 VAL N 0.648 0.026870058 21 41 MET N 0.6162 0.00212132 22 42 LYS N 0.63735 0.014071425 23 43 LEU N 0.62375 0.007000357 24 44 GLN N 0.63795 0.013222897 25 45 ILE N 0.6311 0.029132799 26 46 LYS N 0.6373 0.022203153 27 47 VAL N 0.63015 0.008273149 28 48 ASN N 0.60495 0.001484924 29 50 GLU N 0.6134 0.007495332 30 51 GLY N 0.6007 0.016122035 31 52 ILE N 0.63975 0.014495689 32 53 ILE N 0.63225 0.015485639 33 54 GLU N 0.64745 0.00940452 34 55 ASP N 0.61175 0.006010408 35 56 ALA N 0.61045 0.010111627 36 57 ARG N 0.5881 0.003676955 37 59 LYS N 0.5968 0.017394827 38 60 THR N 0.50765 0.004879037 39 61 TYR N 0.6056 0.014424978 40 62 GLY N 0.433 0.004808326 41 63 CYS N 0.4851 0.01046518 42 69 SER N 0.5368 0.001838478 43 70 SER N 0.56075 0.041648589 44 71 SER N 0.5119 0.001697056 45 72 LEU N 0.58445 0.000353553 46 73 VAL N 0.61315 0.019869701 47 74 THR N 0.60285 0.004313351 48 75 GLU N 0.61265 0.022556706 49 76 TRP N 0.5966 0.011879394 50 77 VAL N 0.61265 0.00516188 51 78 LYS N 0.7048 0.002969848 52 79 GLY N 0.65965 0.017465537 53 80 LYS N 0.58905 0.021425335 54 81 SER N 0.57935 0.028496403 55 82 LEU N 0.64065 0.002333452 56 84 GLU N 0.57515 0.004596194 57 85 ALA N 0.6599 0.00834386 58 86 GLN N 0.6915 0.022627417 59 87 ALA N 0.6216 0.012303658 60 88 ILE N 0.6887 0.001272792 61 90 ASN N 0.51595 0.004737615 62 91 THR N 0.42625 0.021566757 63 92 ASP N 0.60885 0.001484924 64 93 ILE N 0.62745 0.011950105 65 94 ALA N 0.6119 0.012162237 66 95 GLU N 0.61 0.003818377 67 96 GLU N 0.6617 0.002687006 68 97 LEU N 0.6377 0.013010765 69 98 GLU N 0.60915 0.01039447 70 99 LEU N 0.63495 0.019021172 71 102 VAL N 0.4262 0.002262742 72 104 ILE N 0.5808 0.023051681 73 106 CYS N 0.5148 0.002545584 74 107 SER N 0.5428 0.010748023 75 108 ILE N 0.59055 0.000919239 76 109 LEU N 0.6904 0.018667619 77 110 ALA N 0.65855 0.011525841 78 111 GLU N 0.64775 0.007707464 79 112 ASP N 0.6579 0.007353911 80 113 ALA N 0.70575 0.01251579 81 114 ILE N 0.6682 0.008061017 82 115 LYS N 0.6399 0.000989949 83 116 ALA N 0.66985 0.001909188 84 117 ALA N 0.67075 0.02085965 85 118 ILE N 0.6769 0.019374726 86 119 ALA N 0.68475 0.046174073 87 120 ASP N 0.6535 0.031112698 88 121 TYR N 0.6398 0.008909545 89 122 LYS N 0.66865 0.001202082 90 123 SER N 0.6585 0.010323759 91 124 LYS N 0.60055 0.012940054 92 125 ARG N 0.55475 0.010677312 93 126 GLU N 0.4419 0.002969848 94 127 ALA N 0.40835 0.002192031 95 128 LYS N 0.73805 0.000777817 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(D39V) _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 0.063525 0.012126881 . . 2 16 ASN N 0.032045 0.005069956 . . 3 17 VAL N 0.0767 0.001244508 . . 4 18 GLY N 0.08101 0.005345727 . . 5 20 PHE N 0.085515 0.001477853 . . 6 24 ASP N 0.080375 0.000304056 . . 7 25 GLU N 0.066 0.000169706 . . 8 26 ASN N 0.09495 0.000537401 . . 9 27 VAL N 0.07527 0.001951615 . . 10 28 GLY N 0.08387 0.000452548 . . 11 29 SER N 0.08074 0.004808326 . . 12 30 GLY N 0.08619 0.004242641 . . 13 31 MET N 0.09057 0.001159655 . . 14 32 VAL N 0.08383 0.001527351 . . 15 33 GLY N 0.08694 4.24264E-05 . . 16 34 ALA N 0.1257 0.000565685 . . 17 37 CYS N 0.078005 0.004348707 . . 18 38 GLY N 0.09607 9.89949E-05 . . 19 39 VAL N 0.09701 0.000806102 . . 20 40 VAL N 0.085515 0.000106066 . . 21 41 MET N 0.07934 0.002828427 . . 22 42 LYS N 0.08237 0.004058793 . . 23 43 LEU N 0.08314 0.000777817 . . 24 44 GLN N 0.075665 0.001294005 . . 25 45 ILE N 0.08048 0.003917372 . . 26 46 LYS N 0.08048 0.002616295 . . 27 47 VAL N 0.08895 0.000650538 . . 28 48 ASN N 0.083225 6.36396E-05 . . 29 50 GLU N 0.09414 0.001414214 . . 30 51 GLY N 0.083745 0.000855599 . . 31 52 ILE N 0.08024 0.000113137 . . 32 53 ILE N 0.08728 0.001414214 . . 33 54 GLU N 0.08557 0.002163747 . . 34 55 ASP N 0.085805 0.001491995 . . 35 56 ALA N 0.082995 0.001760696 . . 36 57 ARG N 0.08575 9.89949E-05 . . 37 59 LYS N 0.072505 0.000756604 . . 38 60 THR N 0.07063 0.001484924 . . 39 61 TYR N 0.0774 0.001909188 . . 40 62 GLY N 0.077075 0.002057681 . . 41 63 CYS N 0.10555 0.002192031 . . 42 69 SER N 0.08299 0.000254558 . . 43 70 SER N 0.071255 0.002920351 . . 44 71 SER N 0.06929 0.001739483 . . 45 72 LEU N 0.07102 0.001046518 . . 46 73 VAL N 0.076975 0.002227386 . . 47 74 THR N 0.065045 0.002496087 . . 48 75 GLU N 0.080455 0.000586899 . . 49 76 TRP N 0.076125 0.000346482 . . 50 77 VAL N 0.07567 0.000947523 . . 51 78 LYS N 0.076065 0.000318198 . . 52 79 GLY N 0.08523 0.002616295 . . 53 80 LYS N 0.084915 0.00053033 . . 54 81 SER N 0.088625 0.003613316 . . 55 82 LEU N 0.07676 0.000608112 . . 56 84 GLU N 0.08187 0.000806102 . . 57 85 ALA N 0.07599 0.001626346 . . 58 86 GLN N 0.07694 0.002022325 . . 59 87 ALA N 0.08546 0.001159655 . . 60 88 ILE N 0.08242 0.001612203 . . 61 90 ASN N 0.078975 0.004631549 . . 62 91 THR N 0.077825 0.002439518 . . 63 92 ASP N 0.07857 7.07107E-05 . . 64 93 ILE N 0.07915 0.001598061 . . 65 94 ALA N 0.076065 0.000657609 . . 66 95 GLU N 0.07793 0.000127279 . . 67 96 GLU N 0.076025 0.001025305 . . 68 97 LEU N 0.07329 0.000678823 . . 69 98 GLU N 0.066625 0.001166726 . . 70 99 LEU N 0.076875 0.000770746 . . 71 102 VAL N 0.058375 0.008888332 . . 72 104 ILE N 0.07212 0.000438406 . . 73 106 CYS N 0.072855 0.002114249 . . 74 107 SER N 0.078025 0.000898026 . . 75 108 ILE N 0.069225 0.002156676 . . 76 109 LEU N 0.068135 0.000233345 . . 77 110 ALA N 0.07534 4.24264E-05 . . 78 111 GLU N 0.07816 0.002234457 . . 79 112 ASP N 0.07222 0.002446589 . . 80 113 ALA N 0.075955 0.000233345 . . 81 114 ILE N 0.077645 0.001180868 . . 82 115 LYS N 0.075495 0.001576848 . . 83 116 ALA N 0.072695 0.000855599 . . 84 117 ALA N 0.078025 0.000968736 . . 85 118 ILE N 0.07682 0.003450681 . . 86 119 ALA N 0.07256 0.001385929 . . 87 120 ASP N 0.07207 0.001371787 . . 88 121 TYR N 0.0726 0.001145513 . . 89 122 LYS N 0.07476 0.002404163 . . 90 123 SER N 0.08055 0.001103087 . . 91 124 LYS N 0.078045 0.001859691 . . 92 125 ARG N 0.091135 0.000912168 . . 93 126 GLU N 0.12565 0.000212132 . . 94 127 ALA N 0.19555 0.000212132 . . 95 128 LYS N 0.3518 0.001414214 . . 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(D39V) _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 0.831355406 0.045072687 16 ASN 0.760316314 0.01330018 17 VAL 0.838459572 0.002803183 18 GLY 0.809060922 0.029852698 20 PHE 0.882577386 0.008086122 24 ASP 0.835150201 0.006198706 25 GLU 0.819067239 0.064454981 26 ASN 0.858983053 0.029753804 27 VAL 0.823014979 0.006141916 28 GLY 0.893309019 0.074398595 29 SER 0.805332053 0.012036006 30 GLY 0.835354433 0.042537774 31 MET 0.821648712 0.043113556 32 VAL 0.801320337 0.00579398 33 GLY 0.856007733 0.04461949 34 ALA 0.669257462 0.021268321 37 CYS 0.89146681 0.019107155 38 GLY 0.74583821 0.005596028 39 VAL 0.82256635 0.05332605 40 VAL 0.787871708 0.019801958 41 MET 0.7514698 0.027084815 42 LYS 0.825550399 0.008415862 43 LEU 0.80944325 0.074120362 44 GLN 0.850618787 0.111310168 45 ILE 0.872015747 0.029659383 46 LYS 0.895398024 0.084686835 47 VAL 0.83688973 0.021624471 48 ASN 0.834766538 0.032139327 50 GLU 0.782725488 0.018555197 51 GLY 0.913533947 0.015670558 52 ILE 0.817134318 0.087581316 53 ILE 0.84948573 0.040262326 54 GLU 0.737696896 0.004117731 55 ASP 0.749638971 0.016743634 56 ALA 0.866441163 0.027640494 57 ARG 0.855008945 0.000394296 59 LYS 0.815876016 0.035499893 60 THR 0.838806873 0.019116842 61 TYR 0.837187546 0.024141516 62 GLY 0.928416446 0.088841157 63 CYS 0.714561475 0.041311911 69 SER 0.873817615 0.074378879 70 SER 0.839306319 0.123520275 71 SER 0.960779521 0.037911689 72 LEU 0.886675529 0.077928379 73 VAL 0.850944071 0.001247607 74 THR 0.869698169 0.076564614 75 GLU 0.869592207 0.098382034 76 TRP 0.858420456 0.07814942 77 VAL 0.884202507 0.006084657 78 LYS 0.87755304 0.029452334 79 GLY 0.817865146 0.03332233 80 LYS 0.845633408 0.122596297 81 SER 0.878139403 0.047965723 84 GLU 0.863737619 0.042320057 85 ALA 0.787237425 0.018032117 86 GLN 0.834802838 0.009575609 87 ALA 0.891722711 0.039802399 88 ILE 0.801752044 0.004988135 90 ASN 0.94622851 0.046044082 91 THR 0.86170949 0.001690109 92 ASP 0.855816807 0.017523463 94 ALA 0.865142048 0.110090246 95 GLU 0.805287292 0.023528046 96 GLU 0.815923801 0.053315785 97 LEU 0.829685768 0.027086948 98 GLU 0.770139477 0.036359744 99 LEU 0.835965608 0.085833162 102 VAL 0.545233718 0.064086879 104 ILE 0.841408069 0.038400617 106 CYS 0.853900389 0.076499181 107 SER 0.82710394 0.02125831 108 ILE 0.879261824 0.164541685 110 ALA 0.821373094 0.011176947 111 GLU 0.89035007 0.061095506 112 ASP 0.901101094 0.091243254 113 ALA 0.868529727 0.068300817 114 ILE 0.830285851 0.010010966 115 LYS 0.795220901 0.00064548 116 ALA 0.886307858 0.007575858 117 ALA 0.875576635 0.021665436 118 ILE 0.865627425 0.011305367 119 ALA 0.84994413 0.007484619 120 ASP 0.852038613 0.103731754 121 TYR 0.811323863 0.029289662 122 LYS 0.926701251 0.037115871 123 SER 0.854792062 0.014383189 124 LYS 0.858564317 0.02761062 125 ARG 0.781583327 0.007444299 126 GLU 0.574080406 0.023524292 127 ALA 0.161741438 0.001883309 128 LYS -0.578179284 0.043571984 stop_ save_