data_18191 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of Sgf11(63-99) zinc finger domain ; _BMRB_accession_number 18191 _BMRB_flat_file_name bmr18191.str _Entry_type original _Submission_date 2012-01-10 _Accession_date 2012-01-10 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'CCHC zinc finger domain of SAGA-associated factor 11' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Gao Xiaojun . . 2 Koehler Christian . . 3 Bonnet Jacques . . 4 Devys Didier . . 5 Kieffer Bruno . . 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" 204 "13C chemical shifts" 144 "15N chemical shifts" 45 "T1 relaxation values" 36 "T2 relaxation values" 36 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-03-23 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 18192 SGF73 stop_ _Original_release_date 2012-03-23 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Insights into the role of SGF11 and SGF73 for the interaction between SAGA and nucleosomes' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 KOEHLER CHRISTIAN . . 2 GAO XIAOJUN . . 3 BONNET JACQUES . . 4 DEVYS DIDIER . . 5 KIEFFER BRUNO . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name SGF11 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label SGF11 $sgf11 'ZINC ION' $ZN 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_sgf11 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common sgf11 _Molecular_mass 8599.688 _Mol_thiol_state 'free and other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 38 _Mol_residue_sequence ; GKQQESSQYIHCENCGRDVS ANRLAAHLQRCLSRGARR ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 LYS 3 GLN 4 GLN 5 GLU 6 SER 7 SER 8 GLN 9 TYR 10 ILE 11 HIS 12 CYS 13 GLU 14 ASN 15 CYS 16 GLY 17 ARG 18 ASP 19 VAL 20 SER 21 ALA 22 ASN 23 ARG 24 LEU 25 ALA 26 ALA 27 HIS 28 LEU 29 GLN 30 ARG 31 CYS 32 LEU 33 SER 34 ARG 35 GLY 36 ALA 37 ARG 38 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-04 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 PDB 2LO2 "Solution Structure Of Sgf11(63-99) Zinc Finger Domain" 100.00 38 100.00 100.00 2.58e-17 PDB 3M99 "Structure Of The Ubp8-Sgf11-Sgf73-Sus1 Saga Dub Module" 97.37 99 100.00 100.00 3.77e-17 PDB 3MHH "Structure Of The Saga Ubp8SGF11SUS1SGF73 DUB MODULE" 97.37 99 100.00 100.00 3.77e-17 PDB 3MHS "Structure Of The Saga Ubp8SGF11SUS1SGF73 DUB MODULE BOUND Ubiquitin Aldehyde" 97.37 99 100.00 100.00 3.77e-17 PDB 4FJC "Structure Of The Saga Ubp8SGF11(1-72, Delta-Znf)SUS1SGF73 DUB Module" 97.37 99 100.00 100.00 3.77e-17 PDB 4FK5 "Structure Of The Saga Ubp8(S144n)SGF11SUS1SGF73 DUB MODULE" 97.37 99 100.00 100.00 3.77e-17 PDB 4W4U "Structure Of Yeast Saga Dubm With Sgf73 Y57a Mutant At 2.8 Angstroms Resolution" 97.37 99 100.00 100.00 3.77e-17 PDB 4WA6 "Structure Of Yeast Saga Dubm With Sgf73 N59d Mutant At 2.36 Angstroms Resolution" 97.37 99 100.00 100.00 3.77e-17 DBJ GAA26924 "K7_Sgf11p [Saccharomyces cerevisiae Kyokai no. 7]" 97.37 99 100.00 100.00 3.77e-17 EMBL CAY86913 "Sgf11p [Saccharomyces cerevisiae EC1118]" 97.37 99 100.00 100.00 3.77e-17 GB AAB68174 "Ypl047wp [Saccharomyces cerevisiae]" 97.37 99 100.00 100.00 3.77e-17 GB AAS56656 "YPL047W [Saccharomyces cerevisiae]" 97.37 99 100.00 100.00 3.77e-17 GB AHY78128 "Sgf11p [Saccharomyces cerevisiae YJM993]" 97.37 99 100.00 100.00 3.77e-17 GB AJP42096 "Sgf11p [Saccharomyces cerevisiae YJM1078]" 97.37 99 100.00 100.00 3.77e-17 GB AJV91186 "Sgf11p [Saccharomyces cerevisiae YJM1460]" 97.37 99 100.00 100.00 3.77e-17 REF NP_015278 "SAGA histone acetyltransferase complex subunit SGF11 [Saccharomyces cerevisiae S288c]" 97.37 99 100.00 100.00 3.77e-17 SP A6ZWK1 "RecName: Full=SAGA-associated factor 11" 97.37 99 100.00 100.00 3.77e-17 SP B3LL20 "RecName: Full=SAGA-associated factor 11" 97.37 99 100.00 100.00 3.77e-17 SP Q03067 "RecName: Full=SAGA-associated factor 11; AltName: Full=11 kDa SAGA-associated factor" 97.37 99 100.00 100.00 3.77e-17 TPG DAA11383 "TPA: SAGA histone acetyltransferase complex subunit SGF11 [Saccharomyces cerevisiae S288c]" 97.37 99 100.00 100.00 3.77e-17 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jan 24 10:00:36 2012 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $sgf11 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae 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 $sgf11 'recombinant technology' . Escherichia coli BL21(DE3) pGex4T1 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 _Isotopic_labeling $sgf11 0.7 mM '[U-99% 13C; U-98% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 75 mM 'natural abundance' DTT 1 mM 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ 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_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ save_Sparky _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _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_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_COSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H COSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_HNCACO_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACO' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_R1_edited_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC R1 edited' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_R2_edited_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC R2 edited' _Sample_label $sample_1 save_ save_2D_1H-15N_heteronuclear_NOE_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N heteronuclear NOE' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.115 0.02 M pH 7.0 . pH pressure 1 . atm temperature 285 . 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 external indirect . . . 0.251449519 DSS H 1 'methyl protons' ppm 0 external direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0 external indirect . . . 0.101329112 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 '3D CBCA(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D HNCACO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name SGF11 _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 1 1 GLY C C 171.5602 0.3 1 2 1 1 GLY CA C 43.4570 0.3 1 3 1 1 GLY N N 110.5600 0.2 1 4 2 2 LYS H H 7.2255 0.05 1 5 2 2 LYS HB2 H 1.8423 0.05 2 6 2 2 LYS HB3 H 1.7057 0.05 2 7 2 2 LYS HG2 H 1.4325 0.05 2 8 2 2 LYS HD2 H 1.7164 0.05 2 9 2 2 LYS HD3 H 1.5761 0.05 2 10 2 2 LYS HE2 H 2.9848 0.05 2 11 2 2 LYS C C 176.9841 0.3 1 12 2 2 LYS CA C 56.6470 0.3 1 13 2 2 LYS CB C 31.5034 0.3 1 14 2 2 LYS CG C 24.7398 0.3 1 15 2 2 LYS CD C 27.9160 0.3 1 16 2 2 LYS CE C 42.1034 0.3 1 17 2 2 LYS N N 110.7338 0.2 1 18 3 3 GLN H H 8.7325 0.05 1 19 3 3 GLN HA H 4.3121 0.05 1 20 3 3 GLN HB3 H 2.0130 0.05 2 21 3 3 GLN HG2 H 2.3850 0.05 2 22 3 3 GLN HG3 H 2.0888 0.05 2 23 3 3 GLN C C 176.1453 0.3 1 24 3 3 GLN CA C 56.2088 0.3 1 25 3 3 GLN CB C 29.2540 0.3 1 26 3 3 GLN CG C 29.3310 0.3 1 27 3 3 GLN N N 122.4224 0.2 1 28 4 4 GLN H H 8.5782 0.05 1 29 4 4 GLN HA H 4.3041 0.05 1 30 4 4 GLN HB2 H 1.9970 0.05 2 31 4 4 GLN HG2 H 2.3830 0.05 2 32 4 4 GLN HG3 H 2.0890 0.05 2 33 4 4 GLN HE21 H 7.5380 0.05 2 34 4 4 GLN HE22 H 6.9150 0.05 2 35 4 4 GLN C C 176.2430 0.3 1 36 4 4 GLN CA C 56.1258 0.3 1 37 4 4 GLN CB C 29.3790 0.3 1 38 4 4 GLN CG C 30.3702 0.3 1 39 4 4 GLN N N 122.2676 0.2 1 40 5 5 GLU H H 8.6167 0.05 1 41 5 5 GLU HA H 4.3221 0.05 1 42 5 5 GLU HB2 H 1.9720 0.05 2 43 5 5 GLU HG2 H 2.3062 0.05 2 44 5 5 GLU HG3 H 2.1065 0.05 2 45 5 5 GLU C C 176.7807 0.3 1 46 5 5 GLU CA C 56.8318 0.3 1 47 5 5 GLU CB C 30.3850 0.3 1 48 5 5 GLU CG C 32.8343 0.3 1 49 5 5 GLU N N 123.0754 0.2 1 50 6 6 SER H H 8.5032 0.05 1 51 6 6 SER HA H 4.4614 0.05 1 52 6 6 SER HB2 H 3.9535 0.05 2 53 6 6 SER HB3 H 3.9230 0.05 2 54 6 6 SER C C 174.7110 0.3 1 55 6 6 SER CA C 58.5832 0.3 1 56 6 6 SER CB C 63.6896 0.3 1 57 6 6 SER N N 117.0464 0.2 1 58 7 7 SER H H 8.4253 0.05 1 59 7 7 SER HA H 4.4714 0.05 1 60 7 7 SER HB2 H 3.8950 0.05 2 61 7 7 SER HB3 H 3.8328 0.05 2 62 7 7 SER C C 174.2362 0.3 1 63 7 7 SER CA C 58.4309 0.3 1 64 7 7 SER CB C 63.8353 0.3 1 65 7 7 SER N N 117.9602 0.2 1 66 8 8 GLN H H 8.3477 0.05 1 67 8 8 GLN HA H 4.3058 0.05 1 68 8 8 GLN HB2 H 1.9915 0.05 2 69 8 8 GLN HB3 H 1.9098 0.05 2 70 8 8 GLN HG2 H 2.2867 0.05 2 71 8 8 GLN HG3 H 2.2066 0.05 2 72 8 8 GLN HE21 H 7.5360 0.05 2 73 8 8 GLN HE22 H 6.9830 0.05 2 74 8 8 GLN C C 175.2591 0.3 1 75 8 8 GLN CA C 56.1382 0.3 1 76 8 8 GLN CB C 29.5469 0.3 1 77 8 8 GLN CG C 33.8108 0.3 1 78 8 8 GLN N N 121.9975 0.2 1 79 9 9 TYR H H 8.4876 0.05 1 80 9 9 TYR HA H 4.8670 0.05 1 81 9 9 TYR HB2 H 2.7503 0.05 2 82 9 9 TYR HB3 H 2.5724 0.05 2 83 9 9 TYR HD1 H 6.8360 0.05 3 84 9 9 TYR HD2 H 6.8260 0.05 3 85 9 9 TYR HE1 H 6.7750 0.05 3 86 9 9 TYR HE2 H 6.7670 0.05 3 87 9 9 TYR C C 174.9028 0.3 1 88 9 9 TYR CA C 57.3820 0.3 1 89 9 9 TYR CB C 41.0640 0.3 1 90 9 9 TYR N N 121.0359 0.2 1 91 10 10 ILE H H 9.3434 0.05 1 92 10 10 ILE HA H 4.3242 0.05 1 93 10 10 ILE HB H 1.6340 0.05 1 94 10 10 ILE HG12 H 1.4337 0.05 2 95 10 10 ILE HG13 H 1.2322 0.05 2 96 10 10 ILE HG2 H 0.9111 0.05 1 97 10 10 ILE HD1 H 0.8782 0.05 1 98 10 10 ILE C C 174.3941 0.3 1 99 10 10 ILE CA C 59.4112 0.3 1 100 10 10 ILE CB C 41.0040 0.3 1 101 10 10 ILE CG1 C 27.9580 0.3 1 102 10 10 ILE CG2 C 18.0956 0.3 1 103 10 10 ILE CD1 C 13.2384 0.3 1 104 10 10 ILE N N 123.0350 0.2 1 105 11 11 HIS H H 8.8180 0.05 1 106 11 11 HIS HA H 4.8160 0.05 1 107 11 11 HIS HB2 H 3.1308 0.05 2 108 11 11 HIS HB3 H 3.0029 0.05 2 109 11 11 HIS HD1 H 6.9800 0.05 1 110 11 11 HIS HD2 H 8.2300 0.05 1 111 11 11 HIS HE1 H 8.2300 0.05 1 112 11 11 HIS HE2 H 6.9800 0.05 1 113 11 11 HIS C C 174.0311 0.3 1 114 11 11 HIS CA C 55.8560 0.3 1 115 11 11 HIS CB C 29.1932 0.3 1 116 11 11 HIS N N 125.6873 0.2 1 117 11 11 HIS ND1 N 183.0380 0.2 1 118 11 11 HIS NE2 N 178.4760 0.2 1 119 12 12 CYS H H 8.8430 0.05 1 120 12 12 CYS HA H 4.3636 0.05 1 121 12 12 CYS HB2 H 2.7900 0.05 2 122 12 12 CYS HB3 H 2.3920 0.05 2 123 12 12 CYS C C 176.9071 0.3 1 124 12 12 CYS CA C 59.0178 0.3 1 125 12 12 CYS CB C 30.0324 0.3 1 126 12 12 CYS N N 131.3350 0.2 1 127 13 13 GLU H H 9.0254 0.05 1 128 13 13 GLU HA H 4.0952 0.05 1 129 13 13 GLU HB2 H 2.1949 0.05 2 130 13 13 GLU HB3 H 2.0426 0.05 2 131 13 13 GLU HG3 H 2.4190 0.05 2 132 13 13 GLU C C 177.0304 0.3 1 133 13 13 GLU CA C 57.9469 0.3 1 134 13 13 GLU CB C 29.8124 0.3 1 135 13 13 GLU CG C 36.1698 0.3 1 136 13 13 GLU N N 128.9784 0.2 1 137 14 14 ASN H H 9.0232 0.05 1 138 14 14 ASN HA H 4.6397 0.05 1 139 14 14 ASN HB2 H 3.0375 0.05 2 140 14 14 ASN HB3 H 2.6907 0.05 2 141 14 14 ASN HD21 H 7.9248 0.05 2 142 14 14 ASN HD22 H 7.1580 0.05 2 143 14 14 ASN C C 175.7296 0.3 1 144 14 14 ASN CA C 56.1090 0.3 1 145 14 14 ASN CB C 39.7653 0.3 1 146 14 14 ASN N N 120.6878 0.2 1 147 14 14 ASN ND2 N 119.6020 0.2 1 148 15 15 CYS H H 7.9380 0.05 1 149 15 15 CYS HA H 4.9460 0.05 1 150 15 15 CYS HB2 H 3.1790 0.05 2 151 15 15 CYS HB3 H 2.7267 0.05 2 152 15 15 CYS C C 176.7271 0.3 1 153 15 15 CYS CA C 57.7670 0.3 1 154 15 15 CYS CB C 32.8231 0.3 1 155 15 15 CYS N N 115.1372 0.2 1 156 16 16 GLY H H 8.0751 0.05 1 157 16 16 GLY HA2 H 4.1011 0.05 2 158 16 16 GLY HA3 H 4.0756 0.05 2 159 16 16 GLY C C 173.4848 0.3 1 160 16 16 GLY CA C 46.4297 0.3 1 161 16 16 GLY N N 114.1773 0.2 1 162 17 17 ARG H H 8.0616 0.05 1 163 17 17 ARG HA H 4.3685 0.05 1 164 17 17 ARG HB2 H 1.7080 0.05 2 165 17 17 ARG HB3 H 1.6340 0.05 2 166 17 17 ARG HG2 H 1.5711 0.05 2 167 17 17 ARG HD2 H 3.2037 0.05 2 168 17 17 ARG HE H 6.9600 0.05 1 169 17 17 ARG C C 174.6971 0.3 1 170 17 17 ARG CA C 55.5659 0.3 1 171 17 17 ARG CB C 31.8610 0.3 1 172 17 17 ARG CG C 27.2496 0.3 1 173 17 17 ARG CD C 43.4652 0.3 1 174 17 17 ARG N N 120.9540 0.2 1 175 18 18 ASP H H 8.3561 0.05 1 176 18 18 ASP HA H 5.0987 0.05 1 177 18 18 ASP HB2 H 2.3442 0.05 2 178 18 18 ASP HB3 H 2.1374 0.05 2 179 18 18 ASP C C 175.9272 0.3 1 180 18 18 ASP CA C 54.1426 0.3 1 181 18 18 ASP CB C 41.3500 0.3 1 182 18 18 ASP N N 120.4036 0.2 1 183 19 19 VAL H H 9.1286 0.05 1 184 19 19 VAL HA H 4.2043 0.05 1 185 19 19 VAL HB H 1.7097 0.05 1 186 19 19 VAL HG1 H 0.6426 0.05 2 187 19 19 VAL HG2 H 0.1656 0.05 2 188 19 19 VAL C C 175.1231 0.3 1 189 19 19 VAL CA C 60.3818 0.3 1 190 19 19 VAL CB C 31.5163 0.3 1 191 19 19 VAL CG1 C 20.5786 0.3 2 192 19 19 VAL CG2 C 19.2812 0.3 2 193 19 19 VAL N N 124.6613 0.2 1 194 20 20 SER H H 8.8981 0.05 1 195 20 20 SER HA H 3.9832 0.05 1 196 20 20 SER HB2 H 3.7868 0.05 2 197 20 20 SER HB3 H 3.7339 0.05 2 198 20 20 SER C C 176.9400 0.3 1 199 20 20 SER CA C 59.3598 0.3 1 200 20 20 SER CB C 63.4196 0.3 1 201 20 20 SER N N 122.5957 0.2 1 202 21 21 ALA H H 8.6861 0.05 1 203 21 21 ALA HA H 3.8501 0.05 1 204 21 21 ALA HB H 1.3629 0.05 1 205 21 21 ALA C C 179.8187 0.3 1 206 21 21 ALA CA C 56.0770 0.3 1 207 21 21 ALA CB C 18.3076 0.3 1 208 21 21 ALA N N 128.1261 0.2 1 209 22 22 ASN H H 8.4729 0.05 1 210 22 22 ASN HA H 4.5583 0.05 1 211 22 22 ASN HB2 H 2.9371 0.05 2 212 22 22 ASN HB3 H 2.8411 0.05 2 213 22 22 ASN HD21 H 7.7348 0.05 2 214 22 22 ASN HD22 H 6.9832 0.05 2 215 22 22 ASN C C 175.8651 0.3 1 216 22 22 ASN CA C 54.6898 0.3 1 217 22 22 ASN CB C 37.3017 0.3 1 218 22 22 ASN N N 113.5835 0.2 1 219 22 22 ASN ND2 N 112.8587 0.2 1 220 23 23 ARG H H 7.8611 0.05 1 221 23 23 ARG HA H 4.7554 0.05 1 222 23 23 ARG HB2 H 1.7231 0.05 2 223 23 23 ARG HB3 H 1.6333 0.05 2 224 23 23 ARG HG2 H 1.8710 0.05 2 225 23 23 ARG HD2 H 3.2418 0.05 2 226 23 23 ARG HE H 7.9170 0.05 1 227 23 23 ARG C C 176.7659 0.3 1 228 23 23 ARG CA C 54.8770 0.3 1 229 23 23 ARG CB C 30.6972 0.3 1 230 23 23 ARG CG C 29.1578 0.3 1 231 23 23 ARG CD C 43.0518 0.3 1 232 23 23 ARG N N 118.5608 0.2 1 233 24 24 LEU H H 7.3029 0.05 1 234 24 24 LEU HA H 3.9918 0.05 1 235 24 24 LEU HB2 H 1.9153 0.05 2 236 24 24 LEU HB3 H 1.4384 0.05 2 237 24 24 LEU HG H 1.6587 0.05 1 238 24 24 LEU HD1 H 0.9855 0.05 2 239 24 24 LEU HD2 H 0.8948 0.05 2 240 24 24 LEU C C 177.4389 0.3 1 241 24 24 LEU CA C 58.6446 0.3 1 242 24 24 LEU CB C 42.3960 0.3 1 243 24 24 LEU CG C 27.1755 0.3 1 244 24 24 LEU CD1 C 25.7198 0.3 2 245 24 24 LEU CD2 C 25.3638 0.3 2 246 24 24 LEU N N 123.2083 0.2 1 247 25 25 ALA H H 8.8300 0.05 1 248 25 25 ALA HA H 4.0570 0.05 1 249 25 25 ALA HB H 1.4272 0.05 1 250 25 25 ALA C C 181.0675 0.3 1 251 25 25 ALA CA C 56.0713 0.3 1 252 25 25 ALA CB C 17.3073 0.3 1 253 25 25 ALA N N 121.1919 0.2 1 254 26 26 ALA H H 8.2766 0.05 1 255 26 26 ALA HA H 4.1430 0.05 1 256 26 26 ALA HB H 1.4456 0.05 1 257 26 26 ALA C C 180.8342 0.3 1 258 26 26 ALA CA C 54.6601 0.3 1 259 26 26 ALA CB C 18.1360 0.3 1 260 26 26 ALA N N 120.7830 0.2 1 261 27 27 HIS H H 8.3949 0.05 1 262 27 27 HIS HA H 4.2043 0.05 1 263 27 27 HIS HB2 H 3.6492 0.05 2 264 27 27 HIS HB3 H 3.2763 0.05 2 265 27 27 HIS HD1 H 6.8580 0.05 1 266 27 27 HIS HD2 H 7.9180 0.05 1 267 27 27 HIS HE1 H 7.9150 0.05 1 268 27 27 HIS C C 177.8569 0.3 1 269 27 27 HIS CA C 60.3818 0.3 1 270 27 27 HIS CB C 28.7523 0.3 1 271 27 27 HIS N N 118.6747 0.2 1 272 27 27 HIS ND1 N 217.3870 0.2 1 273 27 27 HIS NE2 N 175.0140 0.2 1 274 28 28 LEU H H 9.0744 0.05 1 275 28 28 LEU HA H 3.9736 0.05 1 276 28 28 LEU HB2 H 1.9188 0.05 2 277 28 28 LEU HB3 H 1.5603 0.05 2 278 28 28 LEU HG H 1.6139 0.05 1 279 28 28 LEU HD1 H 1.1049 0.05 2 280 28 28 LEU HD2 H 0.8860 0.05 2 281 28 28 LEU C C 178.5361 0.3 1 282 28 28 LEU CA C 57.8285 0.3 1 283 28 28 LEU CB C 41.8049 0.3 1 284 28 28 LEU CG C 27.1323 0.3 1 285 28 28 LEU CD1 C 23.6476 0.3 2 286 28 28 LEU CD2 C 22.2577 0.3 2 287 28 28 LEU N N 119.1688 0.2 1 288 29 29 GLN H H 7.4150 0.05 1 289 29 29 GLN HA H 3.9918 0.05 1 290 29 29 GLN HB2 H 2.1539 0.05 2 291 29 29 GLN HB3 H 2.1267 0.05 2 292 29 29 GLN HG2 H 2.5503 0.05 2 293 29 29 GLN HG3 H 2.3844 0.05 2 294 29 29 GLN HE21 H 7.5390 0.05 2 295 29 29 GLN HE22 H 6.8896 0.05 2 296 29 29 GLN C C 177.8304 0.3 1 297 29 29 GLN CA C 58.6446 0.3 1 298 29 29 GLN CB C 28.5774 0.3 1 299 29 29 GLN CG C 33.8974 0.3 1 300 29 29 GLN N N 115.8299 0.2 1 301 29 29 GLN NE2 N 112.2956 0.2 1 302 30 30 ARG H H 7.0122 0.05 1 303 30 30 ARG HA H 4.2607 0.05 1 304 30 30 ARG HB2 H 1.8060 0.05 2 305 30 30 ARG HB3 H 1.6610 0.05 2 306 30 30 ARG HG2 H 1.5530 0.05 2 307 30 30 ARG HG3 H 1.5523 0.05 2 308 30 30 ARG HD2 H 3.1727 0.05 2 309 30 30 ARG HE H 6.8580 0.05 1 310 30 30 ARG C C 176.7576 0.3 1 311 30 30 ARG CA C 57.0522 0.3 1 312 30 30 ARG CB C 31.2690 0.3 1 313 30 30 ARG CG C 27.4588 0.3 1 314 30 30 ARG CD C 43.4652 0.3 1 315 30 30 ARG N N 115.8482 0.2 1 316 31 31 CYS H H 8.5602 0.05 1 317 31 31 CYS HA H 3.8512 0.05 1 318 31 31 CYS HB2 H 2.6038 0.05 2 319 31 31 CYS HB3 H 1.9061 0.05 2 320 31 31 CYS C C 176.7271 0.3 1 321 31 31 CYS CA C 62.2503 0.3 1 322 31 31 CYS CB C 29.4645 0.3 1 323 31 31 CYS N N 124.5540 0.2 1 324 32 32 LEU H H 8.0616 0.05 1 325 32 32 LEU HA H 4.2420 0.05 1 326 32 32 LEU HB2 H 1.7384 0.05 2 327 32 32 LEU HB3 H 1.5388 0.05 2 328 32 32 LEU HG H 1.7030 0.05 1 329 32 32 LEU HD1 H 0.8914 0.05 2 330 32 32 LEU HD2 H 0.8001 0.05 2 331 32 32 LEU C C 178.4361 0.3 1 332 32 32 LEU CA C 55.6008 0.3 1 333 32 32 LEU CB C 41.8072 0.3 1 334 32 32 LEU CD1 C 25.4150 0.3 2 335 32 32 LEU CD2 C 22.5055 0.3 2 336 32 32 LEU N N 118.2001 0.2 1 337 33 33 SER H H 7.7289 0.05 1 338 33 33 SER HA H 4.3416 0.05 1 339 33 33 SER HB2 H 3.9350 0.05 2 340 33 33 SER HB3 H 3.9250 0.05 2 341 33 33 SER C C 175.1940 0.3 1 342 33 33 SER CA C 59.1052 0.3 1 343 33 33 SER CB C 63.6500 0.3 1 344 33 33 SER N N 114.5688 0.2 1 345 34 34 ARG H H 8.1693 0.05 1 346 34 34 ARG HA H 4.3290 0.05 1 347 34 34 ARG HB2 H 1.8600 0.05 2 348 34 34 ARG HB3 H 1.9240 0.05 2 349 34 34 ARG HG2 H 1.6630 0.05 2 350 34 34 ARG HG3 H 1.7293 0.05 2 351 34 34 ARG HD2 H 3.1977 0.05 2 352 34 34 ARG C C 177.1134 0.3 1 353 34 34 ARG CA C 56.7230 0.3 1 354 34 34 ARG CB C 30.5110 0.3 1 355 34 34 ARG CG C 27.1997 0.3 1 356 34 34 ARG CD C 43.4652 0.3 1 357 34 34 ARG N N 122.6544 0.2 1 358 35 35 GLY H H 8.2761 0.05 1 359 35 35 GLY HA2 H 3.9913 0.05 2 360 35 35 GLY HA3 H 3.9191 0.05 2 361 35 35 GLY C C 173.7401 0.3 1 362 35 35 GLY CA C 45.1914 0.3 1 363 35 35 GLY N N 109.2820 0.2 1 364 36 36 ALA H H 8.2123 0.05 1 365 36 36 ALA HA H 4.3392 0.05 1 366 36 36 ALA HB H 1.3906 0.05 1 367 36 36 ALA C C 177.8276 0.3 1 368 36 36 ALA CA C 52.4771 0.3 1 369 36 36 ALA CB C 19.4443 0.3 1 370 36 36 ALA N N 124.0534 0.2 1 371 37 37 ARG H H 8.3854 0.05 1 372 37 37 ARG HA H 4.3258 0.05 1 373 37 37 ARG HB2 H 1.8880 0.05 2 374 37 37 ARG HB3 H 1.7950 0.05 2 375 37 37 ARG HG2 H 1.6799 0.05 2 376 37 37 ARG HD2 H 3.1977 0.05 2 377 37 37 ARG C C 175.5641 0.3 1 378 37 37 ARG CA C 56.1382 0.3 1 379 37 37 ARG CB C 30.7440 0.3 1 380 37 37 ARG CG C 29.1978 0.3 1 381 37 37 ARG CD C 43.4652 0.3 1 382 37 37 ARG N N 121.2776 0.2 1 383 38 38 ARG H H 8.1112 0.05 1 384 38 38 ARG HA H 4.1734 0.05 1 385 38 38 ARG HB2 H 1.8490 0.05 2 386 38 38 ARG HB3 H 1.7110 0.05 2 387 38 38 ARG HG2 H 1.5911 0.05 2 388 38 38 ARG HD2 H 3.1977 0.05 2 389 38 38 ARG C C 181.1691 0.3 1 390 38 38 ARG CA C 57.4080 0.3 1 391 38 38 ARG CG C 27.2496 0.3 1 392 38 38 ARG CD C 43.4652 0.3 1 393 38 38 ARG N N 128.1108 0.2 1 stop_ save_ save_heteronuclear_T1_list_1 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions _Spectrometer_frequency_1H 600.13 _T1_coherence_type NzHz _T1_value_units ms _Mol_system_component_name SGF11 _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 3 GLN N 377.7 137.0 2 4 GLN N 369.4 157.0 3 5 GLU N 358.7 98.0 4 6 SER N 320.6 94.9 5 7 SER N 284.0 86.9 6 8 GLN N 313.5 52.0 7 9 TYR N 446.3 21.8 8 10 ILE N 449.2 6.28 9 11 HIS N 451.9 10.8 10 12 CYS N 429.2 12.5 11 13 GLU N 426.7 4.8 12 14 ASN N 469.9 11.0 13 15 CYS N 465.4 9.81 14 16 GLY N 414.4 7.59 15 17 ARG N 467.5 8.85 16 18 ASP N 469.8 20.6 17 19 VAL N 444.5 9.76 18 20 SER N 409.2 15.4 19 21 ALA N 427.5 4.85 20 22 ASN N 257.8 68.4 21 23 ARG N 408.0 18.6 22 24 LEU N 466.6 19.8 23 25 ALA N 431.7 5.38 24 26 ALA N 486.4 15.7 25 27 HIS N 470.5 2.45 26 28 LEU N 466.7 18.1 27 29 GLN N 484.2 8.76 28 30 ARG N 490.1 27.9 29 31 CYS N 498.2 11.4 30 32 LEU N 456.3 14.1 31 33 SER N 381.5 29.7 32 34 ARG N 329.8 25.1 33 35 GLY N 307.5 50.0 34 36 ALA N 350.0 73.3 35 37 ARG N 417.5 126.0 36 38 ARG N 650.2 17.1 stop_ save_ save_heteronuclear_T2_list_1 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions _Spectrometer_frequency_1H 600.13 _T2_coherence_type NzHz _T2_value_units ms _Mol_system_component_name SGF11 _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 3 GLN N 170.1 6.97 . . 2 4 GLN N 193.6 10.8 . . 3 5 GLU N 182.0 9.99 . . 4 6 SER N 161.5 7.02 . . 5 7 SER N 144.6 4.14 . . 6 8 GLN N 146.5 8.97 . . 7 9 TYR N 183.5 5.52 . . 8 10 ILE N 189.5 5.28 . . 9 11 HIS N 192.2 7.55 . . 10 12 CYS N 183.0 2.99 . . 11 13 GLU N 198.8 7.74 . . 12 14 ASN N 178.4 5.67 . . 13 15 CYS N 170.0 3.69 . . 14 16 GLY N 173.8 5.51 . . 15 17 ARG N 141.3 4.82 . . 16 18 ASP N 231.9 8.24 . . 17 19 VAL N 204.9 4.93 . . 18 20 SER N 169.3 3.98 . . 19 21 ALA N 155.9 6.44 . . 20 22 ASN N 100.8 2.44 . . 21 23 ARG N 169.2 7.16 . . 22 24 LEU N 145.1 5.16 . . 23 25 ALA N 136.9 2.97 . . 24 26 ALA N 155.6 5.81 . . 25 27 HIS N 156.5 4.43 . . 26 28 LEU N 153.0 6.84 . . 27 29 GLN N 157.9 4.86 . . 28 30 ARG N 157.5 5.98 . . 29 31 CYS N 166.0 2.93 . . 30 32 LEU N 128.6 4.18 . . 31 33 SER N 159.1 5.55 . . 32 34 ARG N 139.0 7.0 . . 33 35 GLY N 157.7 10.4 . . 34 36 ALA N 177.8 5.92 . . 35 37 ARG N 232.3 12.2 . . 36 38 ARG N 721.4 114.0 . . stop_ save_ save_heteronuclear_noe_list_1 _Saveframe_category heteronuclear_NOE _Details . loop_ _Experiment_label '2D 1H-15N heteronuclear NOE' stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions _Spectrometer_frequency_1H 600.13 _Mol_system_component_name SGF11 _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 3 GLN -1.09 . 4 GLN -0.53 . 5 GLU -0.15 . 6 SER 0.02 . 7 SER 0.32 . 8 GLN 0.48 . 9 TYR 0.69 . 10 ILE 0.90 . 11 HIS 0.77 . 12 CYS 0.84 . 13 GLU 0.86 . 14 ASN 0.90 . 15 CYS 0.94 . 16 GLY 0.88 . 17 ARG 0.89 . 18 ASP 0.85 . 19 VAL 0.79 . 20 SER 0.82 . 21 ALA 0.87 . 22 ASN 0.69 . 23 ARG 0.78 . 24 LEU 0.88 . 25 ALA 0.78 . 26 ALA 0.93 . 27 HIS 0.86 . 28 LEU 0.87 . 29 GLN 0.88 . 30 ARG 0.91 . 31 CYS 0.88 . 32 LEU 0.82 . 33 SER 0.68 . 34 ARG 0.50 . 35 GLY 0.36 . 36 ALA 0.19 . 37 ARG -0.13 . 38 ARG -1.27 . stop_ save_