data_16069 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Resonance assignments for PilZ from Xanthomonas citri ; _BMRB_accession_number 16069 _BMRB_flat_file_name bmr16069.str _Entry_type original _Submission_date 2008-12-18 _Accession_date 2008-12-18 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Resonance assignments (N, Ca, Cb and H) for PilZ from Xanthomonas citri at ph7, 300K' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Guzzo Cristiane R. . 2 Salinas Roberto K. . 3 Farah Chuck S. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 heteronucl_NOE 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 93 "13C chemical shifts" 184 "15N chemical shifts" 93 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-11-12 update BMRB 'complete entry citation' 2009-08-05 update BMRB 'update entry citation' 2009-02-04 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'PILZ protein structure and interactions with PILB and the FIMX EAL domain: implications for control of type IV pilus biogenesis.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19646999 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Guzzo Cristiane R. . 2 Salinas Roberto K. . 3 Andrade Maxuel O. . 4 Farah Chuck S. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 393 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 848 _Page_last 866 _Year 2009 _Details . loop_ _Keyword NMR PilZ 'X-ray crystallography' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name PilZ _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PilZ $PilZ 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_PilZ _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PilZ _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'pilus type IV biogenesis' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 117 _Mol_residue_sequence ; MSAMNARQGILSLALKDKPA LYSAYMPFVKGGGIFVPTPK RYMLGDEVFLLLTLPDSSER LPVAGKVIWTTPAGAQGNRA AGIGVQFPDGPEGEAVRNKI ETLLAGLTTSDKPTHTM ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 ALA 4 MET 5 ASN 6 ALA 7 ARG 8 GLN 9 GLY 10 ILE 11 LEU 12 SER 13 LEU 14 ALA 15 LEU 16 LYS 17 ASP 18 LYS 19 PRO 20 ALA 21 LEU 22 TYR 23 SER 24 ALA 25 TYR 26 MET 27 PRO 28 PHE 29 VAL 30 LYS 31 GLY 32 GLY 33 GLY 34 ILE 35 PHE 36 VAL 37 PRO 38 THR 39 PRO 40 LYS 41 ARG 42 TYR 43 MET 44 LEU 45 GLY 46 ASP 47 GLU 48 VAL 49 PHE 50 LEU 51 LEU 52 LEU 53 THR 54 LEU 55 PRO 56 ASP 57 SER 58 SER 59 GLU 60 ARG 61 LEU 62 PRO 63 VAL 64 ALA 65 GLY 66 LYS 67 VAL 68 ILE 69 TRP 70 THR 71 THR 72 PRO 73 ALA 74 GLY 75 ALA 76 GLN 77 GLY 78 ASN 79 ARG 80 ALA 81 ALA 82 GLY 83 ILE 84 GLY 85 VAL 86 GLN 87 PHE 88 PRO 89 ASP 90 GLY 91 PRO 92 GLU 93 GLY 94 GLU 95 ALA 96 VAL 97 ARG 98 ASN 99 LYS 100 ILE 101 GLU 102 THR 103 LEU 104 LEU 105 ALA 106 GLY 107 LEU 108 THR 109 THR 110 SER 111 ASP 112 LYS 113 PRO 114 THR 115 HIS 116 THR 117 MET stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-26 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 3CNR "Crystal Structure Of Pilz (Xac1133) From Xanthomonas Axonopodis Pv Citri" 98.29 117 97.39 97.39 2.15e-73 PDB 4F48 "The X-Ray Structural Of Fimxeal-C-Di-Gmp-Pilz Complexes From Xanthomonas Campestris" 100.00 117 97.44 98.29 2.85e-76 PDB 4FOU "Structure Of The Pilz-fimx(eal Domain)-c-di-gmp Complex Responsible For The Regulation Of Bacterial Type Iv Pilus Biogenesis" 100.00 117 100.00 100.00 4.32e-78 DBJ BAE67567 "type IV fimbriae assembly protein [Xanthomonas oryzae pv. oryzae MAFF 311018]" 100.00 117 98.29 99.15 1.12e-76 DBJ GAE49623 "type IV pilus biogenesis protein PilZ [Xanthomonas arboricola pv. pruni str. MAFF 311562]" 100.00 117 97.44 98.29 3.15e-76 DBJ GAE57138 "hypothetical protein XPR_3773 [Xanthomonas arboricola pv. pruni MAFF 301420]" 100.00 117 97.44 98.29 3.15e-76 DBJ GAE61747 "Tfp pilus assembly protein [Xanthomonas arboricola pv. pruni MAFF 301427]" 100.00 117 97.44 98.29 3.15e-76 EMBL CAJ22783 "Tfp pilus assembly protein [Xanthomonas campestris pv. vesicatoria str. 85-10]" 100.00 117 100.00 100.00 4.32e-78 EMBL CAP52699 "Tfp pilus assembly protein, probable [Xanthomonas campestris pv. campestris]" 100.00 117 97.44 98.29 2.85e-76 EMBL CCF68085 "type IV fimbriae assembly protein [Xanthomonas axonopodis pv. punicae str. LMG 859]" 97.44 114 100.00 100.00 6.08e-76 EMBL CCG36105 "type IV fimbriae assembly protein [Xanthomonas citri pv. mangiferaeindicae LMG 941]" 100.00 117 100.00 100.00 4.32e-78 EMBL CDF60728 "putative tfp pilus assembly protein PilZ [Xanthomonas fuscans subsp. fuscans]" 100.00 117 100.00 100.00 4.32e-78 GB AAM36006 "type IV fimbriae assembly protein [Xanthomonas axonopodis pv. citri str. 306]" 100.00 117 100.00 100.00 4.32e-78 GB AAM40324 "type IV fimbriae assembly protein [Xanthomonas campestris pv. campestris str. ATCC 33913]" 100.00 117 97.44 98.29 2.85e-76 GB AAW74141 "type IV fimbriae assembly protein [Xanthomonas oryzae pv. oryzae KACC 10331]" 100.00 117 98.29 99.15 1.12e-76 GB AAY50265 "type IV fimbriae assembly protein [Xanthomonas campestris pv. campestris str. 8004]" 100.00 117 97.44 98.29 2.85e-76 GB ACD60951 "type IV fimbriae assembly protein [Xanthomonas oryzae pv. oryzae PXO99A]" 97.44 114 98.25 99.12 1.73e-74 REF NP_636400 "type IV fimbriae assembly protein [Xanthomonas campestris pv. campestris str. ATCC 33913]" 100.00 117 97.44 98.29 2.85e-76 REF WP_002814313 "Tfp pilus assembly protein [Xanthomonas fragariae]" 100.00 117 98.29 98.29 2.59e-76 REF WP_003483889 "MULTISPECIES: type IV fimbriae assembly protein [Xanthomonas]" 100.00 117 100.00 100.00 4.32e-78 REF WP_007969015 "type IV fimbriae assembly protein [Xanthomonas fuscans]" 100.00 117 99.15 99.15 3.08e-77 REF WP_011036225 "type IV fimbriae assembly protein [Xanthomonas campestris]" 100.00 117 97.44 98.29 2.85e-76 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 _Details $PilZ 'Xanthomonas axonopodis' 53413 Bacteria . Xanthomonas axonopodis 306 'Xanthomonas axonopodis pv. citri' 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 $PilZ 'recombinant technology' . Escherichia coli BL21(DE3) pET3a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '13C, 15N labelled PilZ in 5 mM Tris buffer, ph 7, 150 mM NaCl and temperature of 300 K.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PilZ 0.5 mM '[U-99% 13C; U-99% 15N]' 'Tris buffer' 5 mM 'natural abundance' NaCl 150 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '15N labelled PilZ in 5 mM Tris buffer, ph 7, 150 mM NaCl and temperature of 300 K.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PilZ 0.5 mM '[U-99% 15N]' 'Tris buffer' 5 mM 'natural abundance' NaCl 150 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_Analysis_CCPN _Saveframe_category software _Name Analysis_CCPN _Version 1.0.14 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details 'Analysis from CCPN' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_CBCA(CO)NH_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_1H-15N_NOE_5 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOE' _Sample_label $sample_2 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' 0.150 0.010 M pH 7.0 0.2 pH pressure 1 . atm temperature 300 1 K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.150 0.010 M pH 7.0 0.3 pH temperature 300 0.2 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 na indirect . . . 0.251449530 water H 1 protons ppm 4.754 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0 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_ _Software_label $Analysis_CCPN stop_ loop_ _Experiment_label '3D CBCA(CO)NH' '3D HNCACB' '3D HNCA' '3D HN(CO)CA' 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 PilZ _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 5 5 ASN CA C 53.295 0.050 1 2 5 5 ASN CB C 38.795 0.050 1 3 6 6 ALA H H 8.109 0.002 1 4 6 6 ALA CA C 52.841 0.057 1 5 6 6 ALA CB C 19.191 0.050 1 6 6 6 ALA N N 124.089 0.024 1 7 7 7 ARG H H 8.173 0.002 1 8 7 7 ARG CA C 56.416 0.050 1 9 7 7 ARG CB C 30.587 0.050 1 10 7 7 ARG N N 119.588 0.012 1 11 9 9 GLY CA C 45.606 0.050 1 12 10 10 ILE H H 7.974 0.010 1 13 10 10 ILE CA C 61.159 0.005 1 14 10 10 ILE CB C 39.871 0.116 1 15 10 10 ILE N N 120.994 0.014 1 16 11 11 LEU H H 8.790 0.002 1 17 11 11 LEU CA C 54.164 0.007 1 18 11 11 LEU CB C 44.270 0.055 1 19 11 11 LEU N N 129.257 0.018 1 20 12 12 SER H H 8.391 0.003 1 21 12 12 SER CA C 57.183 0.024 1 22 12 12 SER CB C 65.200 0.073 1 23 12 12 SER N N 117.106 0.011 1 24 13 13 LEU H H 8.243 0.001 1 25 13 13 LEU CA C 54.720 0.009 1 26 13 13 LEU CB C 45.632 0.105 1 27 13 13 LEU N N 124.784 0.018 1 28 14 14 ALA H H 8.734 0.005 1 29 14 14 ALA CA C 50.405 0.008 1 30 14 14 ALA CB C 19.734 0.103 1 31 14 14 ALA N N 130.104 0.012 1 32 15 15 LEU H H 8.299 0.004 1 33 15 15 LEU CA C 52.734 0.010 1 34 15 15 LEU CB C 42.427 0.038 1 35 15 15 LEU N N 125.227 0.022 1 36 16 16 LYS H H 8.733 0.008 1 37 16 16 LYS CA C 58.086 0.016 1 38 16 16 LYS CB C 33.268 0.042 1 39 16 16 LYS N N 120.664 0.022 1 40 17 17 ASP H H 7.348 0.001 1 41 17 17 ASP CA C 52.079 0.004 1 42 17 17 ASP CB C 42.939 0.018 1 43 17 17 ASP N N 113.751 0.032 1 44 18 18 LYS H H 9.077 0.001 1 45 18 18 LYS CA C 62.378 0.050 1 46 18 18 LYS N N 118.799 0.014 1 47 19 19 PRO CA C 66.723 0.050 1 48 20 20 ALA H H 8.219 0.050 1 49 20 20 ALA CA C 55.217 0.050 1 50 20 20 ALA CB C 19.062 0.118 1 51 20 20 ALA N N 120.438 0.016 1 52 21 21 LEU H H 7.878 0.002 1 53 21 21 LEU CA C 57.846 0.009 1 54 21 21 LEU CB C 42.046 0.011 1 55 21 21 LEU N N 119.842 0.019 1 56 22 22 TYR H H 9.083 0.005 1 57 22 22 TYR CA C 61.487 0.020 1 58 22 22 TYR CB C 38.278 0.025 1 59 22 22 TYR N N 120.069 0.011 1 60 23 23 SER H H 8.064 0.007 1 61 23 23 SER CA C 61.056 0.039 1 62 23 23 SER CB C 63.582 0.056 1 63 23 23 SER N N 111.212 0.031 1 64 24 24 ALA H H 7.591 0.001 1 65 24 24 ALA CA C 53.846 0.002 1 66 24 24 ALA CB C 20.962 0.052 1 67 24 24 ALA N N 121.885 0.020 1 68 25 25 TYR H H 8.099 0.004 1 69 25 25 TYR CA C 58.328 0.050 1 70 25 25 TYR CB C 38.660 0.050 1 71 25 25 TYR N N 118.665 0.020 1 72 29 29 VAL H H 6.388 0.050 1 73 29 29 VAL CA C 61.238 0.034 1 74 29 29 VAL N N 122.991 0.018 1 75 30 30 LYS H H 8.824 0.003 1 76 30 30 LYS CA C 58.684 0.022 1 77 30 30 LYS N N 130.438 0.015 1 78 31 31 GLY H H 8.820 0.007 1 79 31 31 GLY CA C 45.605 0.050 1 80 31 31 GLY N N 116.464 0.018 1 81 32 32 GLY H H 8.176 0.050 1 82 32 32 GLY CA C 44.303 0.015 1 83 32 32 GLY N N 107.684 0.019 1 84 33 33 GLY H H 6.151 0.010 1 85 33 33 GLY CA C 45.116 0.031 1 86 33 33 GLY N N 104.687 0.050 1 87 34 34 ILE H H 8.688 0.001 1 88 34 34 ILE CA C 59.122 0.006 1 89 34 34 ILE N N 118.885 0.013 1 90 35 35 PHE H H 8.758 0.001 1 91 35 35 PHE CA C 57.613 0.016 1 92 35 35 PHE CB C 40.505 0.050 1 93 35 35 PHE N N 128.559 0.019 1 94 36 36 VAL H H 8.513 0.004 1 95 36 36 VAL CA C 57.940 0.050 1 96 36 36 VAL N N 127.304 0.014 1 97 38 38 THR H H 8.527 0.006 1 98 38 38 THR N N 121.716 0.014 1 99 39 39 PRO CA C 62.628 0.050 1 100 39 39 PRO CB C 31.972 0.050 1 101 40 40 LYS H H 8.101 0.003 1 102 40 40 LYS CA C 56.777 0.002 1 103 40 40 LYS CB C 33.208 0.026 1 104 40 40 LYS N N 123.599 0.013 1 105 41 41 ARG H H 8.140 0.001 1 106 41 41 ARG CA C 55.615 0.050 1 107 41 41 ARG CB C 29.969 0.075 1 108 41 41 ARG N N 122.613 0.052 1 109 42 42 TYR H H 8.298 0.001 1 110 42 42 TYR CA C 57.937 0.003 1 111 42 42 TYR CB C 43.090 0.028 1 112 42 42 TYR N N 124.519 0.017 1 113 43 43 MET H H 8.884 0.005 1 114 43 43 MET CA C 53.238 0.014 1 115 43 43 MET CB C 34.263 0.056 1 116 43 43 MET N N 119.968 0.028 1 117 44 44 LEU H H 8.280 0.001 1 118 44 44 LEU CA C 56.928 0.052 1 119 44 44 LEU N N 121.032 0.022 1 120 45 45 GLY H H 9.063 0.005 1 121 45 45 GLY CA C 44.968 0.039 1 122 45 45 GLY N N 112.996 0.033 1 123 46 46 ASP H H 8.033 0.050 1 124 46 46 ASP CA C 55.454 0.033 1 125 46 46 ASP CB C 41.290 0.050 1 126 46 46 ASP N N 121.559 0.020 1 127 47 47 GLU H H 8.500 0.003 1 128 47 47 GLU CA C 55.958 0.070 1 129 47 47 GLU CB C 30.974 0.065 1 130 47 47 GLU N N 121.011 0.023 1 131 48 48 VAL H H 8.231 0.003 1 132 48 48 VAL CA C 59.369 0.001 1 133 48 48 VAL CB C 35.304 0.078 1 134 48 48 VAL N N 118.762 0.020 1 135 49 49 PHE H H 8.455 0.050 1 136 49 49 PHE CA C 56.856 0.009 1 137 49 49 PHE CB C 40.501 0.041 1 138 49 49 PHE N N 125.672 0.019 1 139 50 50 LEU H H 8.727 0.002 1 140 50 50 LEU CA C 52.496 0.017 1 141 50 50 LEU CB C 45.759 0.027 1 142 50 50 LEU N N 126.646 0.032 1 143 51 51 LEU H H 8.476 0.003 1 144 51 51 LEU CA C 53.318 0.050 1 145 51 51 LEU CB C 43.381 0.076 1 146 51 51 LEU N N 123.377 0.025 1 147 52 52 LEU H H 9.024 0.003 1 148 52 52 LEU CA C 53.572 0.002 1 149 52 52 LEU CB C 45.908 0.049 1 150 52 52 LEU N N 128.975 0.016 1 151 53 53 THR H H 8.926 0.007 1 152 53 53 THR CA C 62.079 0.031 1 153 53 53 THR CB C 70.046 0.050 1 154 53 53 THR N N 121.840 0.023 1 155 54 54 LEU H H 9.177 0.007 1 156 54 54 LEU CA C 52.588 0.050 1 157 54 54 LEU CB C 40.684 0.050 1 158 54 54 LEU N N 127.048 0.016 1 159 55 55 PRO CA C 63.888 0.050 1 160 55 55 PRO CB C 31.745 0.050 1 161 56 56 ASP H H 8.607 0.002 1 162 56 56 ASP CA C 55.424 0.021 1 163 56 56 ASP CB C 39.897 0.057 1 164 56 56 ASP N N 115.042 0.033 1 165 57 57 SER H H 7.545 0.004 1 166 57 57 SER CA C 57.208 0.050 1 167 57 57 SER CB C 64.796 0.050 1 168 57 57 SER N N 112.408 0.034 1 169 58 58 SER CA C 58.271 0.038 1 170 58 58 SER CB C 63.839 0.050 1 171 59 59 GLU H H 8.119 0.002 1 172 59 59 GLU CA C 56.630 0.046 1 173 59 59 GLU CB C 30.716 0.107 1 174 59 59 GLU N N 123.101 0.024 1 175 60 60 ARG H H 8.514 0.001 1 176 60 60 ARG CA C 55.154 0.050 1 177 60 60 ARG N N 124.314 0.015 1 178 61 61 LEU H H 9.408 0.006 1 179 61 61 LEU CA C 52.019 0.050 1 180 61 61 LEU N N 127.290 0.015 1 181 62 62 PRO CA C 61.635 0.050 1 182 62 62 PRO CB C 32.370 0.050 1 183 63 63 VAL H H 8.848 0.004 1 184 63 63 VAL CA C 61.441 0.003 1 185 63 63 VAL CB C 34.745 0.047 1 186 63 63 VAL N N 123.549 0.010 1 187 64 64 ALA H H 8.456 0.007 1 188 64 64 ALA CA C 50.902 0.004 1 189 64 64 ALA CB C 18.172 0.070 1 190 64 64 ALA N N 131.867 0.013 1 191 65 65 GLY H H 8.111 0.001 1 192 65 65 GLY CA C 44.287 0.024 1 193 65 65 GLY N N 107.785 0.016 1 194 66 66 LYS H H 7.620 0.001 1 195 66 66 LYS CA C 54.122 0.019 1 196 66 66 LYS CB C 36.658 0.093 1 197 66 66 LYS N N 118.296 0.024 1 198 67 67 VAL H H 9.019 0.003 1 199 67 67 VAL CA C 64.389 0.050 1 200 67 67 VAL N N 124.249 0.010 1 201 69 69 TRP CA C 58.127 0.050 1 202 70 70 THR H H 7.871 0.005 1 203 70 70 THR CA C 59.843 0.050 1 204 70 70 THR CB C 71.243 0.050 1 205 70 70 THR N N 116.423 0.033 1 206 71 71 THR H H 8.198 0.009 1 207 71 71 THR N N 116.304 0.034 1 208 72 72 PRO CB C 32.472 0.077 1 209 73 73 ALA H H 8.542 0.002 1 210 73 73 ALA CA C 53.051 0.023 1 211 73 73 ALA CB C 18.971 0.040 1 212 73 73 ALA N N 123.842 0.033 1 213 74 74 GLY H H 8.469 0.001 1 214 74 74 GLY CA C 45.438 0.003 1 215 74 74 GLY N N 108.625 0.014 1 216 75 75 ALA H H 8.007 0.004 1 217 75 75 ALA CA C 52.881 0.002 1 218 75 75 ALA CB C 19.428 0.142 1 219 75 75 ALA N N 123.558 0.030 1 220 76 76 GLN H H 8.404 0.002 1 221 76 76 GLN CA C 56.170 0.050 1 222 76 76 GLN CB C 29.316 0.043 1 223 76 76 GLN N N 118.691 0.052 1 224 77 77 GLY H H 8.393 0.003 1 225 77 77 GLY CA C 45.785 0.050 1 226 77 77 GLY N N 109.751 0.029 1 227 78 78 ASN CA C 53.494 0.009 1 228 78 78 ASN CB C 38.605 0.050 1 229 79 79 ARG H H 7.968 0.002 1 230 79 79 ARG CA C 56.101 0.004 1 231 79 79 ARG CB C 31.232 0.062 1 232 79 79 ARG N N 120.167 0.019 1 233 80 80 ALA H H 8.242 0.006 1 234 80 80 ALA CA C 51.991 0.028 1 235 80 80 ALA CB C 19.750 0.073 1 236 80 80 ALA N N 125.609 0.021 1 237 81 81 ALA H H 7.993 0.006 1 238 81 81 ALA CA C 51.966 0.003 1 239 81 81 ALA CB C 19.598 0.050 1 240 81 81 ALA N N 121.866 0.020 1 241 82 82 GLY H H 8.470 0.004 1 242 82 82 GLY CA C 47.178 0.006 1 243 82 82 GLY N N 107.212 0.039 1 244 83 83 ILE H H 7.866 0.003 1 245 83 83 ILE CA C 58.205 0.005 1 246 83 83 ILE CB C 41.821 0.050 1 247 83 83 ILE N N 111.602 0.033 1 248 84 84 GLY H H 8.876 0.005 1 249 84 84 GLY CA C 44.787 0.024 1 250 84 84 GLY N N 108.368 0.046 1 251 85 85 VAL H H 8.885 0.003 1 252 85 85 VAL CA C 60.963 0.015 1 253 85 85 VAL N N 127.070 0.021 1 254 86 86 GLN H H 9.115 0.004 1 255 86 86 GLN CA C 54.576 0.038 1 256 86 86 GLN CB C 31.744 0.105 1 257 86 86 GLN N N 126.822 0.033 1 258 87 87 PHE H H 8.333 0.002 1 259 87 87 PHE CA C 53.455 0.050 1 260 87 87 PHE CB C 35.205 0.050 1 261 87 87 PHE N N 127.441 0.015 1 262 88 88 PRO CA C 62.574 0.050 1 263 88 88 PRO CB C 32.178 0.001 1 264 89 89 ASP H H 8.368 0.004 1 265 89 89 ASP CA C 54.123 0.006 1 266 89 89 ASP CB C 41.455 0.055 1 267 89 89 ASP N N 119.464 0.025 1 268 90 90 GLY H H 8.247 0.004 1 269 90 90 GLY CA C 45.074 0.050 1 270 90 90 GLY N N 109.970 0.014 1 271 91 91 PRO CA C 65.445 0.050 1 272 91 91 PRO CB C 32.287 0.050 1 273 92 92 GLU H H 8.982 0.002 1 274 92 92 GLU CA C 59.809 0.010 1 275 92 92 GLU CB C 28.989 0.118 1 276 92 92 GLU N N 118.314 0.022 1 277 93 93 GLY H H 7.806 0.006 1 278 93 93 GLY CA C 46.808 0.015 1 279 93 93 GLY N N 108.016 0.019 1 280 94 94 GLU H H 8.106 0.004 1 281 94 94 GLU CA C 59.182 0.050 1 282 94 94 GLU CB C 29.794 0.060 1 283 94 94 GLU N N 121.497 0.025 1 284 95 95 ALA H H 7.919 0.002 1 285 95 95 ALA CA C 55.108 0.014 1 286 95 95 ALA CB C 18.231 0.074 1 287 95 95 ALA N N 119.337 0.006 1 288 96 96 VAL H H 7.110 0.003 1 289 96 96 VAL CA C 66.232 0.004 1 290 96 96 VAL CB C 31.345 0.095 1 291 96 96 VAL N N 117.648 0.020 1 292 97 97 ARG H H 8.152 0.002 1 293 97 97 ARG CA C 60.963 0.015 1 294 97 97 ARG CB C 30.501 0.134 1 295 97 97 ARG N N 120.821 0.028 1 296 98 98 ASN H H 8.792 0.005 1 297 98 98 ASN CA C 56.374 0.025 1 298 98 98 ASN CB C 38.484 0.024 1 299 98 98 ASN N N 115.797 0.028 1 300 99 99 LYS H H 7.685 0.002 1 301 99 99 LYS CA C 59.683 0.050 1 302 99 99 LYS CB C 32.394 0.074 1 303 99 99 LYS N N 121.438 0.012 1 304 100 100 ILE H H 7.939 0.003 1 305 100 100 ILE CA C 66.543 0.009 1 306 100 100 ILE CB C 38.269 0.050 1 307 100 100 ILE N N 119.318 0.015 1 308 101 101 GLU H H 8.655 0.001 1 309 101 101 GLU CA C 60.305 0.007 1 310 101 101 GLU CB C 28.886 0.150 1 311 101 101 GLU N N 117.644 0.026 1 312 102 102 THR H H 8.077 0.001 1 313 102 102 THR CA C 66.805 0.014 1 314 102 102 THR CB C 69.032 0.050 1 315 102 102 THR N N 115.593 0.046 1 316 103 103 LEU H H 7.645 0.002 1 317 103 103 LEU CA C 57.826 0.017 1 318 103 103 LEU CB C 43.174 0.015 1 319 103 103 LEU N N 122.670 0.017 1 320 104 104 LEU H H 7.970 0.003 1 321 104 104 LEU CA C 55.471 0.040 1 322 104 104 LEU CB C 41.776 0.075 1 323 104 104 LEU N N 115.636 0.025 1 324 105 105 ALA H H 7.445 0.001 1 325 105 105 ALA CA C 54.227 0.016 1 326 105 105 ALA CB C 18.531 0.064 1 327 105 105 ALA N N 123.033 0.017 1 328 106 106 GLY H H 8.272 0.001 1 329 106 106 GLY CA C 45.597 0.002 1 330 106 106 GLY N N 107.405 0.014 1 331 107 107 LEU H H 7.785 0.001 1 332 107 107 LEU CA C 55.664 0.021 1 333 107 107 LEU CB C 42.622 0.081 1 334 107 107 LEU N N 121.460 0.015 1 335 108 108 THR H H 8.160 0.001 1 336 108 108 THR CA C 61.627 0.006 1 337 108 108 THR CB C 69.985 0.050 1 338 108 108 THR N N 114.486 0.022 1 339 109 109 THR H H 8.093 0.002 1 340 109 109 THR CA C 61.832 0.030 1 341 109 109 THR CB C 69.810 0.050 1 342 109 109 THR N N 115.702 0.010 1 343 110 110 SER H H 8.256 0.002 1 344 110 110 SER CA C 58.486 0.010 1 345 110 110 SER CB C 63.952 0.025 1 346 110 110 SER N N 117.451 0.011 1 347 111 111 ASP H H 8.279 0.002 1 348 111 111 ASP CA C 54.353 0.012 1 349 111 111 ASP CB C 41.276 0.062 1 350 111 111 ASP N N 122.211 0.012 1 351 112 112 LYS H H 8.037 0.001 1 352 112 112 LYS CA C 54.190 0.050 1 353 112 112 LYS CB C 32.794 0.050 1 354 112 112 LYS N N 121.859 0.006 1 355 113 113 PRO CA C 63.155 0.050 1 356 113 113 PRO CB C 32.164 0.050 1 357 114 114 THR H H 8.238 0.001 1 358 114 114 THR CA C 62.000 0.050 1 359 114 114 THR CB C 69.796 0.050 1 360 114 114 THR N N 114.220 0.012 1 361 115 115 HIS CA C 56.132 0.050 1 362 115 115 HIS CB C 30.993 0.050 1 363 116 116 THR H H 8.037 0.003 1 364 116 116 THR CA C 61.740 0.016 1 365 116 116 THR CB C 69.875 0.050 1 366 116 116 THR N N 115.691 0.012 1 367 117 117 MET H H 7.957 0.002 1 368 117 117 MET CA C 57.239 0.050 1 369 117 117 MET CB C 33.982 0.050 1 370 117 117 MET N N 127.775 0.012 1 stop_ save_ save_1H-15N_NOE _Saveframe_category heteronuclear_NOE _Details . loop_ _Software_label $Analysis_CCPN stop_ loop_ _Experiment_label '1H-15N NOE' stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 500 _Mol_system_component_name PilZ _Atom_one_atom_name H _Atom_two_atom_name N _Heteronuclear_NOE_value_type 'peak height' _NOE_reference_value 1.0 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 6 ALA -0.409 0.095 7 ARG -0.125 0.068 10 ILE 0.432 0.033 11 LEU 0.659 0.047 12 SER 0.609 0.037 13 LEU 0.387 0.032 14 ALA 0.804 0.045 15 LEU 0.678 0.046 16 LYS 0.688 0.038 17 ASP 0.615 0.028 18 LYS 0.680 0.055 20 ALA 0.640 0.031 21 LEU 0.649 0.035 22 TYR 0.809 0.046 23 SER 0.791 0.036 24 ALA 0.692 0.035 25 TYR 0.718 0.042 29 VAL 0.811 0.063 30 LYS 0.839 0.083 31 GLY 0.656 0.065 32 GLY 0.672 0.034 33 GLY 0.687 0.075 34 ILE 0.798 0.052 35 PHE 0.816 0.077 36 VAL 0.820 0.058 38 THR 0.610 0.046 40 LYS 0.755 0.035 41 ARG 0.534 0.035 42 TYR 0.257 0.028 43 MET 0.685 0.064 44 LEU 0.407 0.044 45 GLY 0.857 0.094 47 GLU 0.648 0.039 48 VAL 0.632 0.038 49 PHE 0.726 0.047 50 LEU 0.710 0.055 51 LEU 0.755 0.056 52 LEU 0.849 0.063 53 THR 0.665 0.067 54 LEU 0.681 0.044 56 ASP 0.598 0.036 57 SER 0.589 0.025 59 GLU 0.518 0.026 60 ARG 0.609 0.039 61 LEU 0.695 0.046 63 VAL 0.667 0.051 64 ALA 0.659 0.040 65 GLY 0.619 0.039 66 LYS 0.747 0.061 67 VAL 0.772 0.068 70 THR 0.723 0.060 71 THR 0.472 0.069 73 ALA 0.534 0.036 74 GLY 0.510 0.051 75 ALA 0.415 0.046 76 GLN 0.200 0.032 77 GLY 0.235 0.038 79 ARG 0.278 0.033 80 ALA 0.431 0.029 81 ALA 0.382 0.021 82 GLY 0.778 0.047 83 ILE 0.895 0.064 84 GLY 0.751 0.094 85 VAL 0.784 0.078 86 GLN 0.653 0.057 87 PHE 0.774 0.055 89 ASP 0.437 0.025 90 GLY -0.140 0.022 92 GLU 0.642 0.032 93 GLY 0.654 0.040 94 GLU 0.678 0.030 96 VAL 0.818 0.036 97 ARG 0.581 0.041 98 ASN 0.743 0.036 99 LYS 0.719 0.031 101 GLU 0.675 0.041 103 LEU 0.779 0.040 104 LEU 0.651 0.037 105 ALA 0.633 0.032 106 GLY 0.522 0.049 107 LEU 0.403 0.020 108 THR 0.198 0.031 110 SER -0.085 0.035 111 ASP -0.196 0.019 112 LYS -0.132 0.012 114 THR -0.691 0.018 117 MET -1.160 0.017 stop_ save_