data_27594 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone resonance assignments for the CsuC-CsuA/B complex. ; _BMRB_accession_number 27594 _BMRB_flat_file_name bmr27594.str _Entry_type original _Submission_date 2018-08-30 _Accession_date 2018-08-30 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; Backbone resonance assignment (HN, N, Ca, Cb and CO) of CsuC-CsuA/B chaperone-major subunit pre-assembly complex from Csu biofilm-mediating pili of Acinetobacter baumannii. ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 McKenna Sophie . . 2 Xu Yingqi . . 3 Matthews Stephen . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 heteronucl_NOE 2 T1_relaxation 2 T2_relaxation 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 262 "13C chemical shifts" 834 "15N chemical shifts" 262 "T1 relaxation values" 240 "T2 relaxation values" 240 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-01-04 update BMRB 'update entry citation' 2018-10-17 update BMRB 'update entry citation' 2018-09-18 original author 'original release' stop_ _Original_release_date 2018-08-31 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Archaic and alternative chaperones preserve pilin folding energy by providing incomplete structural information ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30228191 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Pakharukova Natalia . . 2 McKenna Sophie . . 3 Tuittila Minna . . 4 Paavilainen Sari . . 5 Malmi Henri . . 6 Xu Yingqi . . 7 Parilova Olena . . 8 Matthews Stephen . . 9 Zavialov Anton . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 293 _Journal_issue 44 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 17070 _Page_last 17080 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name CsuC-CsuA/B _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CsuC $CsuC CsuA/B $CsuA-B stop_ _System_molecular_weight 42868.16 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'Chaperone-major subunit pre-assembly complex from Csu biofilm-mediating pili of Acinetobacter baumannii' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CsuC _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CsuC _Molecular_mass 26970.71 _Mol_thiol_state 'not present' loop_ _Biological_function 'Chaperone of the Csu biofilm-mediating pili of Acinetobacter baumannii' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 243 _Mol_residue_sequence ; ATFLIWPIYPKIEANEKATA VWLQNTGKTDAMVQIRVFKW NQDGLKDNYSEQSEIIPSPP VAKIKAGEKHMLRLTKSVNL PDGKEQSYRLIVDELPIRLS DGNEQDASKVSFQMRYSIPL FAYGKGIGSGLTEESQKLNA KNALAKPVLQWSVRNNQQGQ SELYLKNNGQKFARLSALKT SKTGNDISLGKAAFGYVLSN STVKFAIDQSTAHELAKTSK IYGVDSSGIKQELIEITKME DPS ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 THR 3 PHE 4 LEU 5 ILE 6 TRP 7 PRO 8 ILE 9 TYR 10 PRO 11 LYS 12 ILE 13 GLU 14 ALA 15 ASN 16 GLU 17 LYS 18 ALA 19 THR 20 ALA 21 VAL 22 TRP 23 LEU 24 GLN 25 ASN 26 THR 27 GLY 28 LYS 29 THR 30 ASP 31 ALA 32 MET 33 VAL 34 GLN 35 ILE 36 ARG 37 VAL 38 PHE 39 LYS 40 TRP 41 ASN 42 GLN 43 ASP 44 GLY 45 LEU 46 LYS 47 ASP 48 ASN 49 TYR 50 SER 51 GLU 52 GLN 53 SER 54 GLU 55 ILE 56 ILE 57 PRO 58 SER 59 PRO 60 PRO 61 VAL 62 ALA 63 LYS 64 ILE 65 LYS 66 ALA 67 GLY 68 GLU 69 LYS 70 HIS 71 MET 72 LEU 73 ARG 74 LEU 75 THR 76 LYS 77 SER 78 VAL 79 ASN 80 LEU 81 PRO 82 ASP 83 GLY 84 LYS 85 GLU 86 GLN 87 SER 88 TYR 89 ARG 90 LEU 91 ILE 92 VAL 93 ASP 94 GLU 95 LEU 96 PRO 97 ILE 98 ARG 99 LEU 100 SER 101 ASP 102 GLY 103 ASN 104 GLU 105 GLN 106 ASP 107 ALA 108 SER 109 LYS 110 VAL 111 SER 112 PHE 113 GLN 114 MET 115 ARG 116 TYR 117 SER 118 ILE 119 PRO 120 LEU 121 PHE 122 ALA 123 TYR 124 GLY 125 LYS 126 GLY 127 ILE 128 GLY 129 SER 130 GLY 131 LEU 132 THR 133 GLU 134 GLU 135 SER 136 GLN 137 LYS 138 LEU 139 ASN 140 ALA 141 LYS 142 ASN 143 ALA 144 LEU 145 ALA 146 LYS 147 PRO 148 VAL 149 LEU 150 GLN 151 TRP 152 SER 153 VAL 154 ARG 155 ASN 156 ASN 157 GLN 158 GLN 159 GLY 160 GLN 161 SER 162 GLU 163 LEU 164 TYR 165 LEU 166 LYS 167 ASN 168 ASN 169 GLY 170 GLN 171 LYS 172 PHE 173 ALA 174 ARG 175 LEU 176 SER 177 ALA 178 LEU 179 LYS 180 THR 181 SER 182 LYS 183 THR 184 GLY 185 ASN 186 ASP 187 ILE 188 SER 189 LEU 190 GLY 191 LYS 192 ALA 193 ALA 194 PHE 195 GLY 196 TYR 197 VAL 198 LEU 199 SER 200 ASN 201 SER 202 THR 203 VAL 204 LYS 205 PHE 206 ALA 207 ILE 208 ASP 209 GLN 210 SER 211 THR 212 ALA 213 HIS 214 GLU 215 LEU 216 ALA 217 LYS 218 THR 219 SER 220 LYS 221 ILE 222 TYR 223 GLY 224 VAL 225 ASP 226 SER 227 SER 228 GLY 229 ILE 230 LYS 231 GLN 232 GLU 233 LEU 234 ILE 235 GLU 236 ILE 237 THR 238 LYS 239 MET 240 GLU 241 ASP 242 PRO 243 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 UniProtKB Q6XBY4 CsuC . . . . . stop_ save_ save_CsuA-B _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CsuA/B _Molecular_mass 15915.46 _Mol_thiol_state 'all disulfide bound' loop_ _Biological_function 'Major pilus subunit from the Csu biofilm-mediating pili of Acinetobacter baumannii' stop_ _Details . _Residue_count 152 _Mol_residue_sequence ; AVTHHHHHHSTGCTVGGSQT EGNMNKFGTLNFGKTSGTWN NVLTAEVASAATGGNISVTC DGTDPVDFTVAIDGGERTDR TLKNTASADVVAYNVYRDAA RTNLYVVNQPQQFTTVSGQA TAVPIFGAIAPNTGTPKAQG DYKDTLLVTVNF ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 VAL 3 THR 4 HIS 5 HIS 6 HIS 7 HIS 8 HIS 9 HIS 10 SER 11 THR 12 GLY 13 CYS 14 THR 15 VAL 16 GLY 17 GLY 18 SER 19 GLN 20 THR 21 GLU 22 GLY 23 ASN 24 MET 25 ASN 26 LYS 27 PHE 28 GLY 29 THR 30 LEU 31 ASN 32 PHE 33 GLY 34 LYS 35 THR 36 SER 37 GLY 38 THR 39 TRP 40 ASN 41 ASN 42 VAL 43 LEU 44 THR 45 ALA 46 GLU 47 VAL 48 ALA 49 SER 50 ALA 51 ALA 52 THR 53 GLY 54 GLY 55 ASN 56 ILE 57 SER 58 VAL 59 THR 60 CYS 61 ASP 62 GLY 63 THR 64 ASP 65 PRO 66 VAL 67 ASP 68 PHE 69 THR 70 VAL 71 ALA 72 ILE 73 ASP 74 GLY 75 GLY 76 GLU 77 ARG 78 THR 79 ASP 80 ARG 81 THR 82 LEU 83 LYS 84 ASN 85 THR 86 ALA 87 SER 88 ALA 89 ASP 90 VAL 91 VAL 92 ALA 93 TYR 94 ASN 95 VAL 96 TYR 97 ARG 98 ASP 99 ALA 100 ALA 101 ARG 102 THR 103 ASN 104 LEU 105 TYR 106 VAL 107 VAL 108 ASN 109 GLN 110 PRO 111 GLN 112 GLN 113 PHE 114 THR 115 THR 116 VAL 117 SER 118 GLY 119 GLN 120 ALA 121 THR 122 ALA 123 VAL 124 PRO 125 ILE 126 PHE 127 GLY 128 ALA 129 ILE 130 ALA 131 PRO 132 ASN 133 THR 134 GLY 135 THR 136 PRO 137 LYS 138 ALA 139 GLN 140 GLY 141 ASP 142 TYR 143 LYS 144 ASP 145 THR 146 LEU 147 LEU 148 VAL 149 THR 150 VAL 151 ASN 152 PHE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 UniProtKB Q6XBY7 CsuA/B . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CsuC 'Acinetobacter baumannii' 470 Bacteria . Acinetobacter baumannii $CsuA-B 'Acinetobacter baumannii' 470 Bacteria . Acinetobacter baumannii 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 $CsuC 'recombinant technology' . Escherichia coli BL21-AI pET101-CsuC-6HCsuA/B $CsuA-B 'recombinant technology' . Escherichia coli BL21-AI pET101-CsuC-6HCsuA/B stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '500 M [U- 2H, 13C, 15N] CsuC-CsuA/B in 50 mM sodium phosphate pH 6.0, 50 mM NaCl, 10% D2O.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CsuC 500 uM '[U-13C; U-15N; U-2H]' $CsuA-B 500 uM '[U-13C; U-15N; U-2H]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' D2O 10 % [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_CCPN_Analysis _Saveframe_category software _Name CCPN_Analysis _Version 2.2 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' 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_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 950 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _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_2D_1H-15N_Trosy_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N Trosy' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HCACO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '500 M [U- 2H, 13C, 15N] CsuC-CsuA/B in 50 mM sodium phosphate pH 6.0, 50 mM NaCl, 10% D2O.' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 6.0 . 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 internal indirect . . . 0.251449519 water H 1 protons ppm 4.77 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0 internal indirect . . . 0.10134133880514666048 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 HNCACB' '2D 1H-15N Trosy' '3D HNCO' '3D HCACO' 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 CsuC _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 12 12 ILE C C 176.771 0.002 1 2 12 12 ILE CA C 61.038 0.000 1 3 12 12 ILE CB C 38.929 0.003 1 4 13 13 GLU H H 9.452 0.001 1 5 13 13 GLU C C 178.018 0.005 1 6 13 13 GLU CA C 55.535 0.041 1 7 13 13 GLU CB C 28.092 0.013 1 8 13 13 GLU N N 125.466 0.036 1 9 14 14 ALA H H 10.026 0.001 1 10 14 14 ALA C C 178.775 0.001 1 11 14 14 ALA CA C 54.724 0.025 1 12 14 14 ALA CB C 17.353 0.022 1 13 14 14 ALA N N 124.203 0.039 1 14 15 15 ASN H H 8.131 0.001 1 15 15 15 ASN C C 174.901 0.022 1 16 15 15 ASN CA C 52.007 0.016 1 17 15 15 ASN CB C 37.000 0.052 1 18 15 15 ASN N N 111.281 0.028 1 19 16 16 GLU H H 7.603 0.001 1 20 16 16 GLU C C 174.941 0.010 1 21 16 16 GLU CA C 54.599 0.040 1 22 16 16 GLU CB C 31.804 0.037 1 23 16 16 GLU N N 120.467 0.032 1 24 17 17 LYS H H 8.633 0.001 1 25 17 17 LYS C C 175.101 0.038 1 26 17 17 LYS CA C 55.972 0.052 1 27 17 17 LYS CB C 33.066 0.003 1 28 17 17 LYS N N 118.928 0.036 1 29 18 18 ALA H H 7.585 0.001 1 30 18 18 ALA C C 176.372 0.004 1 31 18 18 ALA CA C 50.278 0.023 1 32 18 18 ALA CB C 23.091 0.057 1 33 18 18 ALA N N 117.943 0.034 1 34 19 19 THR H H 8.396 0.001 1 35 19 19 THR C C 171.383 0.003 1 36 19 19 THR CA C 60.046 0.051 1 37 19 19 THR CB C 69.727 0.025 1 38 19 19 THR N N 112.188 0.037 1 39 20 20 ALA H H 8.036 0.002 1 40 20 20 ALA C C 175.650 0.000 1 41 20 20 ALA CA C 50.002 0.000 1 42 20 20 ALA CB C 21.508 0.000 1 43 20 20 ALA N N 124.826 0.022 1 44 21 21 VAL C C 180.049 0.000 1 45 21 21 VAL CA C 59.354 0.067 1 46 21 21 VAL CB C 29.483 0.002 1 47 22 22 TRP H H 8.858 0.000 1 48 22 22 TRP C C 178.375 0.000 1 49 22 22 TRP CA C 55.740 0.054 1 50 22 22 TRP CB C 29.769 0.015 1 51 22 22 TRP N N 116.183 0.000 1 52 23 23 LEU H H 8.592 0.002 1 53 23 23 LEU CA C 51.862 0.000 1 54 23 23 LEU CB C 40.101 0.000 1 55 23 23 LEU N N 129.592 0.000 1 56 24 24 GLN H H 8.631 0.001 1 57 24 24 GLN C C 175.334 0.022 1 58 24 24 GLN CA C 51.436 0.010 1 59 24 24 GLN CB C 30.361 0.070 1 60 24 24 GLN N N 125.956 0.000 1 61 26 26 THR H H 8.107 0.052 1 62 26 26 THR C C 175.872 0.008 1 63 26 26 THR CA C 60.540 0.018 1 64 26 26 THR CB C 67.063 0.043 1 65 26 26 THR N N 117.873 0.060 1 66 27 27 GLY H H 8.121 0.000 1 67 27 27 GLY C C 172.976 0.004 1 68 27 27 GLY CA C 43.564 0.005 1 69 27 27 GLY N N 110.931 0.000 1 70 28 28 LYS H H 8.326 0.001 1 71 28 28 LYS C C 176.928 0.016 1 72 28 28 LYS CA C 55.250 0.022 1 73 28 28 LYS CB C 32.817 0.036 1 74 28 28 LYS N N 114.694 0.033 1 75 29 29 THR H H 7.547 0.006 1 76 29 29 THR C C 173.490 0.006 1 77 29 29 THR CA C 58.627 0.058 1 78 29 29 THR CB C 70.523 0.038 1 79 29 29 THR N N 110.790 0.132 1 80 30 30 ASP H H 8.694 0.001 1 81 30 30 ASP C C 174.439 0.006 1 82 30 30 ASP CA C 54.666 0.058 1 83 30 30 ASP CB C 40.584 0.012 1 84 30 30 ASP N N 124.226 0.037 1 85 31 31 ALA H H 8.029 0.001 1 86 31 31 ALA C C 175.267 0.008 1 87 31 31 ALA CA C 50.303 0.017 1 88 31 31 ALA CB C 23.586 0.021 1 89 31 31 ALA N N 122.218 0.036 1 90 32 32 MET H H 9.045 0.001 1 91 32 32 MET C C 174.604 0.000 1 92 32 32 MET CA C 54.175 0.000 1 93 32 32 MET CB C 34.494 0.000 1 94 32 32 MET N N 122.756 0.035 1 95 40 40 TRP C C 173.561 0.012 1 96 40 40 TRP CA C 52.815 0.048 1 97 40 40 TRP CB C 32.433 0.032 1 98 41 41 ASN H H 9.055 0.001 1 99 41 41 ASN C C 173.022 0.001 1 100 41 41 ASN CA C 51.604 0.030 1 101 41 41 ASN CB C 41.339 0.019 1 102 41 41 ASN N N 125.372 0.000 1 103 42 42 GLN H H 8.856 0.001 1 104 42 42 GLN C C 177.271 0.011 1 105 42 42 GLN CA C 54.108 0.042 1 106 42 42 GLN CB C 27.501 0.030 1 107 42 42 GLN N N 120.548 0.023 1 108 43 43 ASP H H 8.433 0.001 1 109 43 43 ASP C C 177.449 0.006 1 110 43 43 ASP CA C 55.288 0.034 1 111 43 43 ASP CB C 39.806 0.011 1 112 43 43 ASP N N 123.067 0.032 1 113 44 44 GLY H H 8.861 0.001 1 114 44 44 GLY C C 174.697 0.000 1 115 44 44 GLY CA C 46.016 0.000 1 116 44 44 GLY N N 110.646 0.031 1 117 46 46 LYS C C 173.513 0.003 1 118 46 46 LYS CA C 54.291 0.030 1 119 46 46 LYS CB C 34.159 0.037 1 120 47 47 ASP H H 7.961 0.001 1 121 47 47 ASP C C 175.329 0.005 1 122 47 47 ASP CA C 55.310 0.021 1 123 47 47 ASP CB C 42.292 0.023 1 124 47 47 ASP N N 117.380 0.030 1 125 48 48 ASN H H 9.072 0.001 1 126 48 48 ASN C C 173.236 0.005 1 127 48 48 ASN CA C 52.165 0.022 1 128 48 48 ASN CB C 41.572 0.013 1 129 48 48 ASN N N 120.714 0.034 1 130 49 49 TYR H H 8.427 0.002 1 131 49 49 TYR C C 175.998 0.009 1 132 49 49 TYR CA C 53.791 0.006 1 133 49 49 TYR CB C 39.051 0.003 1 134 49 49 TYR N N 122.205 0.041 1 135 50 50 SER H H 9.005 0.003 1 136 50 50 SER C C 174.080 0.010 1 137 50 50 SER CA C 56.520 0.030 1 138 50 50 SER CB C 65.766 0.044 1 139 50 50 SER N N 116.273 0.016 1 140 51 51 GLU H H 8.904 0.001 1 141 51 51 GLU C C 176.225 0.009 1 142 51 51 GLU CA C 57.030 0.001 1 143 51 51 GLU CB C 28.993 0.014 1 144 51 51 GLU N N 124.667 0.045 1 145 52 52 GLN H H 9.138 0.001 1 146 52 52 GLN C C 174.280 0.004 1 147 52 52 GLN CA C 54.118 0.014 1 148 52 52 GLN CB C 28.727 0.002 1 149 52 52 GLN N N 117.628 0.031 1 150 53 53 SER H H 8.981 0.001 1 151 53 53 SER C C 173.493 0.018 1 152 53 53 SER CA C 56.577 0.028 1 153 53 53 SER CB C 63.314 0.053 1 154 53 53 SER N N 114.992 0.039 1 155 54 54 GLU H H 8.014 0.001 1 156 54 54 GLU C C 176.070 0.005 1 157 54 54 GLU CA C 58.236 0.051 1 158 54 54 GLU CB C 29.251 0.040 1 159 54 54 GLU N N 123.058 0.023 1 160 55 55 ILE H H 9.234 0.001 1 161 55 55 ILE C C 175.709 0.005 1 162 55 55 ILE CA C 57.476 0.021 1 163 55 55 ILE CB C 36.746 0.017 1 164 55 55 ILE N N 119.350 0.020 1 165 56 56 ILE H H 8.943 0.001 1 166 56 56 ILE C C 175.569 0.000 1 167 56 56 ILE CA C 56.087 0.000 1 168 56 56 ILE CB C 39.101 0.000 1 169 56 56 ILE N N 128.760 0.025 1 170 60 60 PRO C C 176.096 0.009 1 171 60 60 PRO CA C 63.399 0.036 1 172 60 60 PRO CB C 30.837 0.021 1 173 61 61 VAL H H 6.882 0.002 1 174 61 61 VAL C C 174.338 0.005 1 175 61 61 VAL CA C 59.420 0.079 1 176 61 61 VAL CB C 34.718 0.023 1 177 61 61 VAL N N 115.666 0.042 1 178 62 62 ALA H H 8.640 0.001 1 179 62 62 ALA C C 174.516 0.008 1 180 62 62 ALA CA C 51.213 0.034 1 181 62 62 ALA CB C 20.232 0.015 1 182 62 62 ALA N N 125.479 0.032 1 183 63 63 LYS H H 8.457 0.001 1 184 63 63 LYS C C 175.319 0.045 1 185 63 63 LYS CA C 55.354 0.016 1 186 63 63 LYS CB C 31.947 0.046 1 187 63 63 LYS N N 123.778 0.032 1 188 64 64 ILE H H 9.005 0.004 1 189 64 64 ILE C C 176.532 0.006 1 190 64 64 ILE CA C 60.130 0.028 1 191 64 64 ILE CB C 37.902 0.072 1 192 64 64 ILE N N 127.161 0.028 1 193 65 65 LYS H H 9.010 0.001 1 194 65 65 LYS C C 176.147 0.000 1 195 65 65 LYS CA C 56.571 0.000 1 196 65 65 LYS CB C 31.938 0.000 1 197 65 65 LYS N N 130.329 0.026 1 198 66 66 ALA C C 178.356 0.000 1 199 66 66 ALA CA C 54.095 0.023 1 200 66 66 ALA CB C 17.086 0.001 1 201 67 67 GLY H H 8.041 0.000 1 202 67 67 GLY C C 174.823 0.000 1 203 67 67 GLY CA C 45.857 0.024 1 204 67 67 GLY N N 114.342 0.000 1 205 68 68 GLU H H 8.345 0.000 1 206 68 68 GLU C C 178.509 0.002 1 207 68 68 GLU CA C 56.005 0.067 1 208 68 68 GLU CB C 30.692 0.024 1 209 68 68 GLU N N 121.242 0.000 1 210 69 69 LYS H H 8.544 0.001 1 211 69 69 LYS C C 175.864 0.000 1 212 69 69 LYS CA C 54.486 0.000 1 213 69 69 LYS CB C 34.700 0.000 1 214 69 69 LYS N N 119.621 0.077 1 215 73 73 ARG C C 173.819 0.001 1 216 73 73 ARG CA C 60.504 0.024 1 217 73 73 ARG CB C 31.780 0.029 1 218 74 74 LEU H H 9.352 0.001 1 219 74 74 LEU C C 174.571 0.079 1 220 74 74 LEU CA C 52.283 0.021 1 221 74 74 LEU CB C 40.780 0.041 1 222 74 74 LEU N N 125.267 0.043 1 223 75 75 THR H H 7.885 0.001 1 224 75 75 THR C C 174.194 0.021 1 225 75 75 THR CA C 61.867 0.095 1 226 75 75 THR CB C 69.740 0.011 1 227 75 75 THR N N 118.234 0.032 1 228 76 76 LYS H H 8.624 0.001 1 229 76 76 LYS C C 176.269 0.013 1 230 76 76 LYS CA C 55.929 0.054 1 231 76 76 LYS CB C 31.672 0.000 1 232 76 76 LYS N N 127.810 0.022 1 233 77 77 SER H H 9.320 0.001 1 234 77 77 SER C C 173.657 0.000 1 235 77 77 SER CA C 58.358 0.000 1 236 77 77 SER CB C 64.203 0.000 1 237 77 77 SER N N 122.409 0.042 1 238 78 78 VAL H H 6.753 0.001 1 239 78 78 VAL C C 174.082 0.000 1 240 78 78 VAL CA C 58.610 0.036 1 241 78 78 VAL CB C 34.790 0.065 1 242 78 78 VAL N N 107.850 0.000 1 243 79 79 ASN H H 8.224 0.001 1 244 79 79 ASN C C 175.114 0.000 1 245 79 79 ASN CA C 52.775 0.036 1 246 79 79 ASN CB C 37.999 0.021 1 247 79 79 ASN N N 118.371 0.034 1 248 80 80 LEU H H 8.413 0.001 1 249 80 80 LEU C C 174.712 0.000 1 250 80 80 LEU CB C 39.233 0.000 1 251 80 80 LEU N N 125.486 0.033 1 252 81 81 PRO C C 176.724 0.000 1 253 81 81 PRO CA C 62.941 0.000 1 254 81 81 PRO CB C 31.273 0.046 1 255 82 82 ASP H H 8.624 0.001 1 256 82 82 ASP C C 178.220 0.002 1 257 82 82 ASP CA C 55.339 0.022 1 258 82 82 ASP CB C 39.364 0.028 1 259 82 82 ASP N N 123.419 0.038 1 260 83 83 GLY H H 8.932 0.001 1 261 83 83 GLY C C 173.130 0.003 1 262 83 83 GLY CA C 46.265 0.018 1 263 83 83 GLY N N 108.011 0.033 1 264 84 84 LYS H H 6.709 0.002 1 265 84 84 LYS C C 175.391 0.006 1 266 84 84 LYS CA C 53.747 0.031 1 267 84 84 LYS CB C 34.591 0.041 1 268 84 84 LYS N N 115.599 0.027 1 269 85 85 GLU H H 9.335 0.001 1 270 85 85 GLU C C 174.657 0.000 1 271 85 85 GLU CA C 54.865 0.000 1 272 85 85 GLU CB C 32.798 0.000 1 273 85 85 GLU N N 127.251 0.029 1 274 96 96 PRO C C 176.946 0.002 1 275 96 96 PRO CA C 62.600 0.000 1 276 96 96 PRO CB C 31.224 0.025 1 277 97 97 ILE H H 8.301 0.002 1 278 97 97 ILE C C 175.917 0.015 1 279 97 97 ILE CA C 60.689 0.075 1 280 97 97 ILE CB C 37.964 0.015 1 281 97 97 ILE N N 122.372 0.026 1 282 98 98 ARG H H 8.254 0.037 1 283 98 98 ARG C C 175.598 0.007 1 284 98 98 ARG CA C 55.316 0.119 1 285 98 98 ARG CB C 29.714 0.066 1 286 98 98 ARG N N 125.157 0.150 1 287 99 99 LEU H H 8.317 0.010 1 288 99 99 LEU C C 177.143 0.022 1 289 99 99 LEU CA C 54.269 0.027 1 290 99 99 LEU CB C 41.887 0.029 1 291 99 99 LEU N N 125.580 0.116 1 292 100 100 SER H H 8.267 0.002 1 293 100 100 SER C C 174.131 0.007 1 294 100 100 SER CA C 57.661 0.019 1 295 100 100 SER CB C 63.275 0.038 1 296 100 100 SER N N 116.813 0.029 1 297 101 101 ASP H H 8.324 0.001 1 298 101 101 ASP C C 176.530 0.004 1 299 101 101 ASP CA C 53.795 0.056 1 300 101 101 ASP CB C 41.001 0.023 1 301 101 101 ASP N N 123.487 0.043 1 302 102 102 GLY H H 8.298 0.001 1 303 102 102 GLY C C 173.832 0.004 1 304 102 102 GLY CA C 45.000 0.021 1 305 102 102 GLY N N 109.429 0.042 1 306 103 103 ASN H H 8.343 0.002 1 307 103 103 ASN C C 175.078 0.005 1 308 103 103 ASN CA C 52.878 0.025 1 309 103 103 ASN CB C 38.732 0.048 1 310 103 103 ASN N N 119.109 0.029 1 311 104 104 GLU H H 8.456 0.001 1 312 104 104 GLU C C 176.070 0.004 1 313 104 104 GLU CA C 56.180 0.058 1 314 104 104 GLU CB C 29.543 0.013 1 315 104 104 GLU N N 121.738 0.033 1 316 105 105 GLN H H 8.286 0.002 1 317 105 105 GLN C C 175.255 0.005 1 318 105 105 GLN CA C 55.609 0.038 1 319 105 105 GLN CB C 29.141 0.066 1 320 105 105 GLN N N 121.011 0.024 1 321 106 106 ASP H H 8.243 0.001 1 322 106 106 ASP C C 174.482 0.007 1 323 106 106 ASP CA C 54.053 0.062 1 324 106 106 ASP CB C 39.883 0.019 1 325 106 106 ASP N N 120.826 0.036 1 326 107 107 ALA H H 8.367 0.007 1 327 107 107 ALA C C 176.902 0.000 1 328 107 107 ALA CA C 51.443 0.016 1 329 107 107 ALA CB C 21.297 0.037 1 330 107 107 ALA N N 124.097 0.008 1 331 108 108 SER H H 8.165 0.009 1 332 108 108 SER C C 173.239 0.000 1 333 108 108 SER CA C 57.026 0.042 1 334 108 108 SER CB C 62.548 0.052 1 335 108 108 SER N N 118.116 0.149 1 336 109 109 LYS H H 8.054 0.001 1 337 109 109 LYS C C 175.327 0.029 1 338 109 109 LYS CA C 54.553 0.037 1 339 109 109 LYS CB C 35.930 0.022 1 340 109 109 LYS N N 122.715 0.032 1 341 110 110 VAL H H 8.650 0.002 1 342 110 110 VAL CA C 60.196 0.025 1 343 110 110 VAL CB C 32.477 0.063 1 344 110 110 VAL N N 124.954 0.033 1 345 111 111 SER H H 8.329 0.000 1 346 111 111 SER CA C 56.983 0.000 1 347 111 111 SER CB C 64.197 0.000 1 348 111 111 SER N N 122.243 0.000 1 349 112 112 PHE C C 175.098 0.000 1 350 112 112 PHE CA C 55.633 0.033 1 351 112 112 PHE CB C 40.492 0.056 1 352 113 113 GLN H H 9.231 0.001 1 353 113 113 GLN C C 173.653 0.006 1 354 113 113 GLN CA C 53.746 0.050 1 355 113 113 GLN CB C 30.433 0.018 1 356 113 113 GLN N N 125.838 0.022 1 357 114 114 MET H H 8.742 0.001 1 358 114 114 MET C C 175.821 0.011 1 359 114 114 MET CA C 53.023 0.024 1 360 114 114 MET CB C 31.090 0.009 1 361 114 114 MET N N 122.269 0.037 1 362 115 115 ARG H H 8.565 0.001 1 363 115 115 ARG C C 173.109 0.015 1 364 115 115 ARG CA C 54.065 0.002 1 365 115 115 ARG CB C 32.649 0.051 1 366 115 115 ARG N N 124.484 0.039 1 367 116 116 TYR H H 9.026 0.001 1 368 116 116 TYR C C 174.500 0.000 1 369 116 116 TYR CA C 55.283 0.030 1 370 116 116 TYR CB C 39.169 0.029 1 371 116 116 TYR N N 125.064 0.022 1 372 117 117 SER H H 9.145 0.001 1 373 117 117 SER C C 174.345 0.004 1 374 117 117 SER CA C 54.952 0.000 1 375 117 117 SER CB C 63.565 0.000 1 376 117 117 SER N N 117.934 0.000 1 377 118 118 ILE H H 9.307 0.002 1 378 118 118 ILE C C 175.481 0.000 1 379 118 118 ILE CA C 54.731 0.000 1 380 118 118 ILE CB C 42.639 0.000 1 381 118 118 ILE N N 124.801 0.051 1 382 122 122 ALA C C 175.148 0.004 1 383 122 122 ALA CA C 49.332 0.006 1 384 122 122 ALA CB C 22.581 0.009 1 385 123 123 TYR H H 7.535 0.001 1 386 123 123 TYR C C 177.264 0.000 1 387 123 123 TYR CA C 59.277 0.038 1 388 123 123 TYR CB C 41.595 0.020 1 389 123 123 TYR N N 118.476 0.043 1 390 124 124 GLY H H 8.171 0.001 1 391 124 124 GLY C C 171.087 0.008 1 392 124 124 GLY CA C 42.658 0.010 1 393 124 124 GLY N N 109.960 0.038 1 394 125 125 LYS H H 8.536 0.002 1 395 125 125 LYS C C 179.436 0.006 1 396 125 125 LYS CA C 57.875 0.039 1 397 125 125 LYS CB C 32.387 0.040 1 398 125 125 LYS N N 115.298 0.029 1 399 126 126 GLY H H 9.150 0.001 1 400 126 126 GLY C C 172.354 0.013 1 401 126 126 GLY CA C 44.943 0.029 1 402 126 126 GLY N N 110.958 0.035 1 403 127 127 ILE H H 8.135 0.001 1 404 127 127 ILE C C 172.345 0.000 1 405 127 127 ILE CA C 59.294 0.038 1 406 127 127 ILE CB C 41.383 0.024 1 407 127 127 ILE N N 120.989 0.030 1 408 128 128 GLY H H 8.399 0.001 1 409 128 128 GLY C C 172.749 0.003 1 410 128 128 GLY CA C 44.620 0.043 1 411 128 128 GLY N N 109.665 0.042 1 412 129 129 SER H H 8.894 0.001 1 413 129 129 SER C C 177.753 0.000 1 414 129 129 SER CA C 60.554 0.072 1 415 129 129 SER CB C 62.872 0.066 1 416 129 129 SER N N 117.236 0.040 1 417 130 130 GLY H H 7.795 0.001 1 418 130 130 GLY C C 174.052 0.013 1 419 130 130 GLY CA C 45.117 0.016 1 420 130 130 GLY N N 108.038 0.018 1 421 131 131 LEU H H 8.595 0.001 1 422 131 131 LEU C C 175.920 0.005 1 423 131 131 LEU CA C 54.456 0.048 1 424 131 131 LEU CB C 40.358 0.026 1 425 131 131 LEU N N 120.272 0.000 1 426 132 132 THR H H 6.980 0.001 1 427 132 132 THR C C 173.837 0.012 1 428 132 132 THR CA C 57.344 0.079 1 429 132 132 THR CB C 71.905 0.044 1 430 132 132 THR N N 106.529 0.030 1 431 133 133 GLU H H 9.229 0.001 1 432 133 133 GLU C C 179.131 0.008 1 433 133 133 GLU CA C 59.795 0.061 1 434 133 133 GLU CB C 28.421 0.016 1 435 133 133 GLU N N 124.904 0.026 1 436 134 134 GLU H H 8.940 0.001 1 437 134 134 GLU C C 179.327 0.000 1 438 134 134 GLU CA C 59.227 0.000 1 439 134 134 GLU N N 117.523 0.026 1 440 135 135 SER C C 173.753 0.013 1 441 135 135 SER CA C 62.428 0.042 1 442 135 135 SER CB C 68.328 0.000 1 443 137 137 LYS H H 8.424 0.001 1 444 137 137 LYS C C 177.203 0.000 1 445 137 137 LYS CA C 59.154 0.076 1 446 137 137 LYS CB C 31.311 0.040 1 447 137 137 LYS N N 120.809 0.049 1 448 138 138 LEU H H 7.310 0.001 1 449 138 138 LEU C C 179.584 0.007 1 450 138 138 LEU CA C 57.104 0.089 1 451 138 138 LEU CB C 41.428 0.035 1 452 138 138 LEU N N 119.251 0.034 1 453 139 139 ASN H H 7.978 0.001 1 454 139 139 ASN C C 177.911 0.019 1 455 139 139 ASN CA C 54.374 0.032 1 456 139 139 ASN CB C 36.471 0.004 1 457 139 139 ASN N N 118.835 0.027 1 458 140 140 ALA H H 7.723 0.001 1 459 140 140 ALA C C 179.026 0.006 1 460 140 140 ALA CA C 54.102 0.034 1 461 140 140 ALA CB C 17.488 0.045 1 462 140 140 ALA N N 121.175 0.037 1 463 141 141 LYS H H 7.171 0.002 1 464 141 141 LYS C C 175.130 0.009 1 465 141 141 LYS CA C 55.501 0.014 1 466 141 141 LYS CB C 31.662 0.020 1 467 141 141 LYS N N 114.370 0.034 1 468 142 142 ASN H H 7.608 0.001 1 469 142 142 ASN C C 175.253 0.009 1 470 142 142 ASN CA C 51.011 0.052 1 471 142 142 ASN CB C 39.104 0.040 1 472 142 142 ASN N N 119.229 0.021 1 473 143 143 ALA H H 8.866 0.002 1 474 143 143 ALA C C 177.744 0.006 1 475 143 143 ALA CA C 54.149 0.052 1 476 143 143 ALA CB C 17.789 0.018 1 477 143 143 ALA N N 127.871 0.028 1 478 144 144 LEU H H 7.753 0.001 1 479 144 144 LEU C C 176.939 0.006 1 480 144 144 LEU CA C 53.086 0.006 1 481 144 144 LEU CB C 41.373 0.039 1 482 144 144 LEU N N 113.403 0.039 1 483 145 145 ALA H H 7.544 0.001 1 484 145 145 ALA C C 174.408 0.009 1 485 145 145 ALA CA C 50.990 0.016 1 486 145 145 ALA CB C 14.837 0.017 1 487 145 145 ALA N N 126.778 0.024 1 488 146 146 LYS H H 8.662 0.001 1 489 146 146 LYS C C 171.674 0.000 1 490 146 146 LYS CA C 54.320 0.000 1 491 146 146 LYS CB C 29.577 0.000 1 492 146 146 LYS N N 118.522 0.029 1 493 152 152 SER CA C 58.377 0.000 1 494 152 152 SER CB C 65.330 0.008 1 495 153 153 VAL H H 8.612 0.000 1 496 153 153 VAL C C 175.689 0.006 1 497 153 153 VAL CA C 60.391 0.023 1 498 153 153 VAL CB C 33.895 0.022 1 499 153 153 VAL N N 122.823 0.000 1 500 154 154 ARG H H 8.944 0.001 1 501 154 154 ARG C C 175.427 0.006 1 502 154 154 ARG CA C 54.101 0.030 1 503 154 154 ARG CB C 32.868 0.025 1 504 154 154 ARG N N 125.095 0.028 1 505 155 155 ASN H H 8.906 0.002 1 506 155 155 ASN C C 175.814 0.005 1 507 155 155 ASN CA C 51.839 0.015 1 508 155 155 ASN CB C 38.918 0.023 1 509 155 155 ASN N N 123.582 0.017 1 510 156 156 ASN H H 8.601 0.001 1 511 156 156 ASN C C 177.393 0.005 1 512 156 156 ASN CA C 50.841 0.019 1 513 156 156 ASN CB C 38.205 0.077 1 514 156 156 ASN N N 121.001 0.043 1 515 157 157 GLN H H 8.612 0.001 1 516 157 157 GLN C C 176.745 0.007 1 517 157 157 GLN CA C 57.936 0.009 1 518 157 157 GLN CB C 27.501 0.022 1 519 157 157 GLN N N 118.163 0.037 1 520 158 158 GLN H H 7.745 0.001 1 521 158 158 GLN C C 176.230 0.010 1 522 158 158 GLN CA C 55.698 0.028 1 523 158 158 GLN CB C 27.794 0.037 1 524 158 158 GLN N N 117.023 0.028 1 525 159 159 GLY H H 8.056 0.001 1 526 159 159 GLY C C 173.846 0.005 1 527 159 159 GLY CA C 45.092 0.045 1 528 159 159 GLY N N 108.216 0.035 1 529 160 160 GLN H H 7.730 0.001 1 530 160 160 GLN C C 175.792 0.007 1 531 160 160 GLN CA C 54.109 0.032 1 532 160 160 GLN CB C 28.870 0.049 1 533 160 160 GLN N N 120.426 0.034 1 534 161 161 SER H H 8.766 0.002 1 535 161 161 SER C C 173.752 0.001 1 536 161 161 SER CA C 59.188 0.034 1 537 161 161 SER CB C 63.709 0.058 1 538 161 161 SER N N 120.767 0.029 1 539 162 162 GLU H H 8.587 0.001 1 540 162 162 GLU C C 173.310 0.028 1 541 162 162 GLU CA C 54.532 0.022 1 542 162 162 GLU CB C 33.048 0.039 1 543 162 162 GLU N N 122.230 0.000 1 544 163 163 LEU H H 9.115 0.002 1 545 163 163 LEU C C 174.248 0.000 1 546 163 163 LEU CA C 53.300 0.000 1 547 163 163 LEU CB C 44.384 0.000 1 548 163 163 LEU N N 125.400 0.037 1 549 167 167 ASN C C 175.761 0.000 1 550 167 167 ASN CA C 50.144 0.060 1 551 167 167 ASN CB C 38.986 0.048 1 552 168 168 ASN H H 9.518 0.001 1 553 168 168 ASN C C 176.007 0.012 1 554 168 168 ASN CA C 52.495 0.058 1 555 168 168 ASN CB C 38.963 0.015 1 556 168 168 ASN N N 123.989 0.034 1 557 169 169 GLY H H 8.818 0.001 1 558 169 169 GLY C C 172.931 0.000 1 559 169 169 GLY CA C 43.413 0.016 1 560 169 169 GLY N N 110.021 0.024 1 561 170 170 GLN H H 8.453 0.000 1 562 170 170 GLN C C 175.039 0.004 1 563 170 170 GLN CA C 55.196 0.041 1 564 170 170 GLN CB C 27.875 0.022 1 565 170 170 GLN N N 111.848 0.000 1 566 171 171 LYS H H 6.708 0.001 1 567 171 171 LYS C C 176.072 0.006 1 568 171 171 LYS CA C 52.456 0.022 1 569 171 171 LYS CB C 37.838 0.036 1 570 171 171 LYS N N 113.154 0.036 1 571 172 172 PHE H H 9.441 0.002 1 572 172 172 PHE C C 171.148 0.000 1 573 172 172 PHE CA C 56.502 0.000 1 574 172 172 PHE CB C 39.453 0.000 1 575 172 172 PHE N N 118.405 0.044 1 576 177 177 ALA C C 175.362 0.011 1 577 177 177 ALA CA C 51.694 0.005 1 578 177 177 ALA CB C 20.554 0.028 1 579 178 178 LEU H H 8.497 0.001 1 580 178 178 LEU C C 175.524 0.007 1 581 178 178 LEU CA C 53.501 0.030 1 582 178 178 LEU CB C 44.377 0.017 1 583 178 178 LEU N N 119.794 0.025 1 584 179 179 LYS H H 9.152 0.002 1 585 179 179 LYS C C 176.667 0.000 1 586 179 179 LYS CA C 54.513 0.000 1 587 179 179 LYS CB C 36.979 0.000 1 588 179 179 LYS N N 118.610 0.028 1 589 181 181 SER C C 174.404 0.003 1 590 181 181 SER CA C 57.760 0.040 1 591 181 181 SER CB C 63.307 0.006 1 592 182 182 LYS H H 8.488 0.001 1 593 182 182 LYS C C 175.994 0.010 1 594 182 182 LYS CA C 55.344 0.028 1 595 182 182 LYS CB C 28.400 0.024 1 596 182 182 LYS N N 122.606 0.024 1 597 183 183 THR H H 8.020 0.001 1 598 183 183 THR C C 174.628 0.000 1 599 183 183 THR CA C 61.008 0.000 1 600 183 183 THR CB C 69.623 0.000 1 601 183 183 THR N N 114.792 0.023 1 602 184 184 GLY H H 7.396 0.001 1 603 184 184 GLY C C 172.942 0.010 1 604 184 184 GLY CA C 44.289 0.018 1 605 184 184 GLY N N 110.484 0.000 1 606 185 185 ASN H H 8.250 0.001 1 607 185 185 ASN C C 174.936 0.006 1 608 185 185 ASN CA C 52.612 0.008 1 609 185 185 ASN CB C 38.484 0.025 1 610 185 185 ASN N N 117.449 0.045 1 611 186 186 ASP H H 8.373 0.001 1 612 186 186 ASP C C 177.156 0.005 1 613 186 186 ASP CA C 54.436 0.048 1 614 186 186 ASP CB C 40.449 0.010 1 615 186 186 ASP N N 120.967 0.042 1 616 187 187 ILE H H 8.701 0.001 1 617 187 187 ILE C C 176.004 0.010 1 618 187 187 ILE CA C 61.005 0.097 1 619 187 187 ILE CB C 37.827 0.017 1 620 187 187 ILE N N 122.806 0.028 1 621 188 188 SER H H 8.554 0.001 1 622 188 188 SER CA C 57.926 0.061 1 623 188 188 SER CB C 63.036 0.000 1 624 188 188 SER N N 120.279 0.024 1 625 189 189 LEU H H 8.473 0.001 1 626 189 189 LEU C C 177.680 0.007 1 627 189 189 LEU CA C 54.291 0.044 1 628 189 189 LEU CB C 40.515 0.047 1 629 189 189 LEU N N 126.140 0.000 1 630 190 190 GLY H H 8.163 0.000 1 631 190 190 GLY C C 174.647 0.000 1 632 190 190 GLY CA C 45.832 0.070 1 633 190 190 GLY N N 108.655 0.050 1 634 191 191 LYS H H 7.547 0.001 1 635 191 191 LYS CA C 59.702 0.000 1 636 191 191 LYS N N 111.327 0.000 1 637 198 198 LEU C C 175.942 0.000 1 638 198 198 LEU CA C 58.972 0.045 1 639 198 198 LEU CB C 40.561 0.005 1 640 199 199 SER H H 8.592 0.001 1 641 199 199 SER C C 176.480 0.004 1 642 199 199 SER CA C 54.855 0.000 1 643 199 199 SER CB C 62.892 0.026 1 644 199 199 SER N N 112.187 0.000 1 645 200 200 ASN H H 7.642 0.002 1 646 200 200 ASN C C 174.313 0.000 1 647 200 200 ASN CA C 55.388 0.015 1 648 200 200 ASN CB C 37.824 0.034 1 649 200 200 ASN N N 121.879 0.054 1 650 201 201 SER H H 7.457 0.000 1 651 201 201 SER C C 171.063 0.009 1 652 201 201 SER CA C 58.090 0.062 1 653 201 201 SER CB C 65.574 0.051 1 654 201 201 SER N N 111.362 0.000 1 655 202 202 THR H H 8.502 0.001 1 656 202 202 THR C C 172.527 0.000 1 657 202 202 THR CA C 60.914 0.000 1 658 202 202 THR CB C 70.724 0.000 1 659 202 202 THR N N 118.806 0.028 1 660 205 205 PHE C C 174.753 0.004 1 661 205 205 PHE CA C 55.691 0.059 1 662 205 205 PHE CB C 42.017 0.001 1 663 206 206 ALA H H 8.673 0.001 1 664 206 206 ALA C C 177.266 0.007 1 665 206 206 ALA CA C 52.772 0.009 1 666 206 206 ALA CB C 17.844 0.011 1 667 206 206 ALA N N 126.554 0.027 1 668 207 207 ILE H H 7.767 0.001 1 669 207 207 ILE C C 174.395 0.006 1 670 207 207 ILE CA C 58.738 0.051 1 671 207 207 ILE CB C 41.944 0.039 1 672 207 207 ILE N N 114.545 0.027 1 673 208 208 ASP H H 8.338 0.001 1 674 208 208 ASP C C 176.318 0.006 1 675 208 208 ASP CA C 52.654 0.017 1 676 208 208 ASP CB C 41.511 0.021 1 677 208 208 ASP N N 120.372 0.034 1 678 209 209 GLN H H 8.695 0.001 1 679 209 209 GLN C C 178.831 0.007 1 680 209 209 GLN CA C 58.386 0.083 1 681 209 209 GLN CB C 27.820 0.056 1 682 209 209 GLN N N 119.274 0.028 1 683 210 210 SER H H 8.486 0.001 1 684 210 210 SER CA C 61.308 0.000 1 685 210 210 SER N N 116.550 0.023 1 686 212 212 ALA C C 180.138 0.000 1 687 212 212 ALA CA C 55.605 0.015 1 688 212 212 ALA CB C 16.771 0.000 1 689 213 213 HIS H H 8.318 0.001 1 690 213 213 HIS C C 177.574 0.012 1 691 213 213 HIS CA C 58.338 0.065 1 692 213 213 HIS CB C 28.022 0.018 1 693 213 213 HIS N N 117.013 0.030 1 694 214 214 GLU H H 7.781 0.001 1 695 214 214 GLU C C 180.114 0.000 1 696 214 214 GLU CB C 28.322 0.000 1 697 214 214 GLU N N 120.121 0.035 1 698 223 223 GLY C C 171.540 0.008 1 699 223 223 GLY CA C 43.634 0.015 1 700 224 224 VAL H H 8.102 0.002 1 701 224 224 VAL C C 174.105 0.007 1 702 224 224 VAL CA C 62.014 0.060 1 703 224 224 VAL CB C 30.418 0.040 1 704 224 224 VAL N N 123.432 0.034 1 705 225 225 ASP H H 9.216 0.001 1 706 225 225 ASP C C 176.242 0.011 1 707 225 225 ASP CA C 52.916 0.075 1 708 225 225 ASP CB C 44.992 0.026 1 709 225 225 ASP N N 128.540 0.037 1 710 226 226 SER H H 9.075 0.001 1 711 226 226 SER CA C 56.684 0.000 1 712 226 226 SER CB C 63.311 0.000 1 713 226 226 SER N N 120.209 0.030 1 714 228 228 GLY C C 174.049 0.004 1 715 229 229 ILE H H 9.082 0.000 1 716 229 229 ILE C C 175.219 0.007 1 717 229 229 ILE CA C 63.167 0.000 1 718 229 229 ILE CB C 37.622 0.004 1 719 229 229 ILE N N 129.221 0.000 1 720 230 230 LYS H H 7.620 0.001 1 721 230 230 LYS C C 175.126 0.002 1 722 230 230 LYS CA C 53.805 0.020 1 723 230 230 LYS CB C 34.031 0.012 1 724 230 230 LYS N N 117.620 0.041 1 725 231 231 GLN H H 8.563 0.001 1 726 231 231 GLN C C 176.043 0.008 1 727 231 231 GLN CA C 56.317 0.015 1 728 231 231 GLN CB C 28.251 0.013 1 729 231 231 GLN N N 121.772 0.034 1 730 232 232 GLU H H 8.819 0.001 1 731 232 232 GLU C C 174.137 0.000 1 732 232 232 GLU CA C 54.349 0.000 1 733 232 232 GLU CB C 33.068 0.000 1 734 232 232 GLU N N 124.102 0.028 1 735 234 234 ILE H H 9.383 0.001 1 736 234 234 ILE C C 174.310 0.010 1 737 234 234 ILE CA C 59.228 0.038 1 738 234 234 ILE CB C 39.897 0.049 1 739 234 234 ILE N N 123.894 0.000 1 740 235 235 GLU H H 8.708 0.001 1 741 235 235 GLU C C 174.919 0.006 1 742 235 235 GLU CA C 55.934 0.047 1 743 235 235 GLU CB C 30.462 0.030 1 744 235 235 GLU N N 124.937 0.040 1 745 236 236 ILE H H 8.811 0.001 1 746 236 236 ILE C C 176.206 0.000 1 747 236 236 ILE CA C 60.367 0.000 1 748 236 236 ILE CB C 36.343 0.000 1 749 236 236 ILE N N 127.653 0.032 1 750 238 238 LYS C C 177.503 0.004 1 751 238 238 LYS CA C 56.436 0.025 1 752 238 238 LYS CB C 32.214 0.044 1 753 239 239 MET H H 8.521 0.001 1 754 239 239 MET C C 175.493 0.034 1 755 239 239 MET CA C 55.697 0.030 1 756 239 239 MET CB C 33.168 0.018 1 757 239 239 MET N N 125.822 0.020 1 758 240 240 GLU H H 8.387 0.001 1 759 240 240 GLU C C 174.884 0.008 1 760 240 240 GLU CB C 29.441 0.018 1 761 240 240 GLU N N 123.218 0.028 1 762 241 241 ASP H H 7.835 0.001 1 763 241 241 ASP C C 174.206 0.000 1 764 241 241 ASP CA C 51.653 0.000 1 765 241 241 ASP CB C 41.892 0.000 1 766 241 241 ASP N N 121.381 0.042 1 stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D CBCA(CO)NH' '3D HNCACB' '2D 1H-15N Trosy' '3D HNCO' '3D HCACO' 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 CsuA/B _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 ALA CA C 51.960 0.001 1 2 1 1 ALA CB C 18.344 0.058 1 3 2 2 VAL H H 8.198 0.000 1 4 2 2 VAL CA C 61.735 0.055 1 5 2 2 VAL CB C 31.958 0.025 1 6 2 2 VAL N N 120.621 0.000 1 7 3 3 THR H H 8.147 0.001 1 8 3 3 THR CA C 61.234 0.000 1 9 3 3 THR CB C 69.403 0.000 1 10 3 3 THR N N 118.750 0.000 1 11 8 8 HIS C C 174.739 0.010 1 12 8 8 HIS CA C 54.884 0.003 1 13 8 8 HIS CB C 32.801 0.052 1 14 9 9 HIS H H 9.163 0.001 1 15 9 9 HIS C C 174.198 0.010 1 16 9 9 HIS CA C 53.330 0.046 1 17 9 9 HIS CB C 30.066 0.023 1 18 9 9 HIS N N 127.074 0.026 1 19 10 10 SER H H 7.962 0.001 1 20 10 10 SER C C 172.818 0.000 1 21 10 10 SER CA C 55.752 0.000 1 22 10 10 SER CB C 64.661 0.000 1 23 10 10 SER N N 115.697 0.047 1 24 13 13 CYS C C 172.422 0.011 1 25 13 13 CYS CA C 56.001 0.000 1 26 13 13 CYS CB C 49.084 0.002 1 27 14 14 THR H H 9.608 0.001 1 28 14 14 THR C C 174.312 0.007 1 29 14 14 THR CA C 61.415 0.066 1 30 14 14 THR CB C 68.906 0.032 1 31 14 14 THR N N 121.903 0.040 1 32 15 15 VAL H H 9.537 0.001 1 33 15 15 VAL C C 174.083 0.000 1 34 15 15 VAL CA C 58.297 0.010 1 35 15 15 VAL CB C 34.864 0.000 1 36 15 15 VAL N N 121.952 0.034 1 37 16 16 GLY H H 7.404 0.000 1 38 16 16 GLY CA C 43.868 0.006 1 39 16 16 GLY N N 104.996 0.000 1 40 17 17 GLY H H 7.432 0.001 1 41 17 17 GLY C C 174.818 0.003 1 42 17 17 GLY CA C 45.094 0.000 1 43 17 17 GLY N N 109.046 0.000 1 44 18 18 SER H H 8.249 0.000 1 45 18 18 SER CA C 57.729 0.000 1 46 18 18 SER CB C 63.407 0.019 1 47 18 18 SER N N 118.405 0.036 1 48 19 19 GLN H H 8.467 0.001 1 49 19 19 GLN C C 175.963 0.005 1 50 19 19 GLN CA C 55.350 0.013 1 51 19 19 GLN CB C 28.597 0.033 1 52 19 19 GLN N N 122.865 0.000 1 53 20 20 THR H H 8.126 0.001 1 54 20 20 THR C C 174.501 0.000 1 55 20 20 THR CA C 61.097 0.062 1 56 20 20 THR CB C 69.690 0.038 1 57 20 20 THR N N 115.290 0.021 1 58 21 21 GLU H H 8.390 0.000 1 59 21 21 GLU C C 177.008 0.024 1 60 21 21 GLU CA C 56.676 0.036 1 61 21 21 GLU CB C 29.219 0.060 1 62 21 21 GLU N N 122.724 0.000 1 63 22 22 GLY H H 8.401 0.001 1 64 22 22 GLY C C 173.917 0.006 1 65 22 22 GLY CA C 45.002 0.017 1 66 22 22 GLY N N 110.208 0.034 1 67 23 23 ASN H H 8.094 0.001 1 68 23 23 ASN C C 175.396 0.005 1 69 23 23 ASN CA C 52.831 0.044 1 70 23 23 ASN CB C 38.312 0.014 1 71 23 23 ASN N N 118.690 0.047 1 72 24 24 MET H H 8.321 0.002 1 73 24 24 MET C C 176.077 0.001 1 74 24 24 MET CA C 55.436 0.045 1 75 24 24 MET CB C 31.621 0.010 1 76 24 24 MET N N 120.993 0.028 1 77 25 25 ASN H H 8.367 0.001 1 78 25 25 ASN C C 174.995 0.013 1 79 25 25 ASN CA C 53.526 0.013 1 80 25 25 ASN CB C 38.065 0.055 1 81 25 25 ASN N N 118.766 0.033 1 82 26 26 LYS H H 8.045 0.001 1 83 26 26 LYS C C 176.042 0.001 1 84 26 26 LYS CA C 55.851 0.053 1 85 26 26 LYS CB C 32.039 0.007 1 86 26 26 LYS N N 120.717 0.040 1 87 27 27 PHE H H 7.926 0.002 1 88 27 27 PHE C C 176.285 0.006 1 89 27 27 PHE CA C 57.010 0.087 1 90 27 27 PHE CB C 38.990 0.022 1 91 27 27 PHE N N 120.051 0.011 1 92 28 28 GLY H H 8.344 0.001 1 93 28 28 GLY C C 172.837 0.007 1 94 28 28 GLY CA C 45.990 0.027 1 95 28 28 GLY N N 111.283 0.024 1 96 29 29 THR H H 7.615 0.002 1 97 29 29 THR C C 173.544 0.000 1 98 29 29 THR CA C 59.901 0.000 1 99 29 29 THR N N 112.832 0.023 1 100 39 39 TRP C C 172.520 0.000 1 101 39 39 TRP CA C 59.257 0.065 1 102 40 40 ASN H H 8.598 0.001 1 103 40 40 ASN C C 174.532 0.002 1 104 40 40 ASN CA C 53.175 0.045 1 105 40 40 ASN CB C 39.023 0.018 1 106 40 40 ASN N N 117.753 0.027 1 107 41 41 ASN H H 8.146 0.002 1 108 41 41 ASN C C 172.948 0.010 1 109 41 41 ASN CA C 51.117 0.066 1 110 41 41 ASN CB C 40.355 0.032 1 111 41 41 ASN N N 117.566 0.031 1 112 42 42 VAL H H 8.098 0.001 1 113 42 42 VAL C C 176.742 0.000 1 114 42 42 VAL CA C 61.956 0.037 1 115 42 42 VAL CB C 31.812 0.026 1 116 42 42 VAL N N 118.513 0.028 1 117 43 43 LEU H H 8.212 0.001 1 118 43 43 LEU C C 173.806 0.000 1 119 43 43 LEU CA C 57.79 0.000 1 120 43 43 LEU CB C 40.464 0.000 1 121 43 43 LEU N N 119.110 0.025 1 122 44 44 THR H H 8.082 0.001 1 123 44 44 THR CA C 66.237 0.050 1 124 44 44 THR CB C 67.327 0.010 1 125 44 44 THR N N 121.937 0.000 1 126 45 45 ALA H H 8.273 0.001 1 127 45 45 ALA C C 180.137 0.000 1 128 45 45 ALA CA C 55.639 0.000 1 129 45 45 ALA CB C 16.795 0.000 1 130 45 45 ALA N N 123.917 0.000 1 131 46 46 GLU H H 8.466 0.001 1 132 46 46 GLU C C 174.954 0.087 1 133 46 46 GLU CA C 55.080 0.029 1 134 46 46 GLU CB C 31.909 0.098 1 135 46 46 GLU N N 118.189 0.049 1 136 47 47 VAL H H 8.173 0.001 1 137 47 47 VAL C C 175.635 0.024 1 138 47 47 VAL CA C 62.126 0.054 1 139 47 47 VAL CB C 31.661 0.014 1 140 47 47 VAL N N 121.470 0.034 1 141 48 48 ALA H H 8.530 0.002 1 142 48 48 ALA C C 176.353 0.007 1 143 48 48 ALA CA C 52.714 0.032 1 144 48 48 ALA CB C 19.805 0.015 1 145 48 48 ALA N N 127.549 0.016 1 146 49 49 SER H H 8.202 0.001 1 147 49 49 SER C C 174.750 0.000 1 148 49 49 SER CA C 57.638 0.000 1 149 49 49 SER CB C 63.809 0.000 1 150 49 49 SER N N 114.619 0.042 1 151 50 50 ALA H H 8.474 0.000 1 152 50 50 ALA C C 178.649 0.000 1 153 50 50 ALA CA C 53.489 0.018 1 154 50 50 ALA CB C 17.938 0.022 1 155 50 50 ALA N N 126.017 0.000 1 156 51 51 ALA H H 8.194 0.001 1 157 51 51 ALA C C 178.624 0.007 1 158 51 51 ALA CA C 53.320 0.023 1 159 51 51 ALA CB C 18.260 0.054 1 160 51 51 ALA N N 120.349 0.012 1 161 52 52 THR H H 7.606 0.002 1 162 52 52 THR C C 175.044 0.009 1 163 52 52 THR CA C 61.099 0.061 1 164 52 52 THR CB C 68.925 0.027 1 165 52 52 THR N N 108.745 0.030 1 166 53 53 GLY H H 7.923 0.003 1 167 53 53 GLY C C 174.023 0.054 1 168 53 53 GLY CA C 45.146 0.036 1 169 53 53 GLY N N 110.243 0.039 1 170 54 54 GLY H H 8.019 0.001 1 171 54 54 GLY C C 172.946 0.008 1 172 54 54 GLY CA C 44.727 0.047 1 173 54 54 GLY N N 108.146 0.046 1 174 55 55 ASN H H 7.944 0.001 1 175 55 55 ASN C C 174.466 0.000 1 176 55 55 ASN CA C 52.908 0.000 1 177 55 55 ASN N N 116.338 0.039 1 178 56 56 ILE C C 175.758 0.004 1 179 56 56 ILE CA C 60.607 0.035 1 180 56 56 ILE CB C 37.682 0.001 1 181 57 57 SER H H 8.824 0.001 1 182 57 57 SER C C 172.405 0.002 1 183 57 57 SER CA C 56.907 0.044 1 184 57 57 SER CB C 66.497 0.016 1 185 57 57 SER N N 121.343 0.032 1 186 58 58 VAL H H 8.425 0.001 1 187 58 58 VAL C C 175.325 0.012 1 188 58 58 VAL CA C 61.165 0.053 1 189 58 58 VAL CB C 35.288 0.016 1 190 58 58 VAL N N 121.879 0.000 1 191 59 59 THR H H 8.799 0.001 1 192 59 59 THR C C 173.522 0.004 1 193 59 59 THR CA C 60.917 0.063 1 194 59 59 THR CB C 70.532 0.020 1 195 59 59 THR N N 122.945 0.044 1 196 60 60 CYS H H 9.258 0.001 1 197 60 60 CYS C C 173.797 0.013 1 198 60 60 CYS CA C 55.846 0.069 1 199 60 60 CYS CB C 47.151 0.026 1 200 60 60 CYS N N 125.381 0.046 1 201 61 61 ASP H H 8.427 0.000 1 202 61 61 ASP C C 176.509 0.013 1 203 61 61 ASP CA C 53.182 0.055 1 204 61 61 ASP CB C 40.672 0.013 1 205 61 61 ASP N N 121.161 0.000 1 206 62 62 GLY H H 7.880 0.000 1 207 62 62 GLY C C 174.883 0.008 1 208 62 62 GLY CA C 44.334 0.036 1 209 62 62 GLY N N 105.980 0.058 1 210 63 63 THR H H 8.447 0.001 1 211 63 63 THR C C 175.193 0.003 1 212 63 63 THR CA C 63.018 0.085 1 213 63 63 THR CB C 68.836 0.015 1 214 63 63 THR N N 111.962 0.023 1 215 64 64 ASP H H 7.991 0.002 1 216 64 64 ASP C C 173.747 0.000 1 217 64 64 ASP CA C 52.197 0.000 1 218 64 64 ASP CB C 40.473 0.000 1 219 64 64 ASP N N 122.825 0.044 1 220 65 65 PRO C C 173.783 0.067 1 221 66 66 VAL H H 8.860 0.001 1 222 66 66 VAL C C 173.732 0.001 1 223 66 66 VAL CA C 60.606 0.031 1 224 66 66 VAL CB C 31.850 0.017 1 225 66 66 VAL N N 128.923 0.043 1 226 67 67 ASP H H 9.307 0.001 1 227 67 67 ASP C C 174.645 0.000 1 228 67 67 ASP CA C 52.249 0.000 1 229 67 67 ASP CB C 40.758 0.000 1 230 67 67 ASP N N 125.244 0.038 1 231 68 68 PHE C C 173.218 0.004 1 232 68 68 PHE CA C 55.441 0.036 1 233 68 68 PHE CB C 40.305 0.040 1 234 69 69 THR H H 9.170 0.003 1 235 69 69 THR C C 174.027 0.001 1 236 69 69 THR CA C 57.989 0.007 1 237 69 69 THR CB C 72.078 0.026 1 238 69 69 THR N N 109.398 0.043 1 239 70 70 VAL H H 8.811 0.002 1 240 70 70 VAL C C 174.819 0.006 1 241 70 70 VAL CA C 60.204 0.039 1 242 70 70 VAL CB C 34.894 0.010 1 243 70 70 VAL N N 119.809 0.033 1 244 71 71 ALA H H 8.916 0.001 1 245 71 71 ALA C C 174.590 0.006 1 246 71 71 ALA CA C 49.239 0.015 1 247 71 71 ALA CB C 22.005 0.018 1 248 71 71 ALA N N 129.005 0.023 1 249 72 72 ILE H H 9.444 0.001 1 250 72 72 ILE C C 177.088 0.000 1 251 72 72 ILE CA C 60.219 0.000 1 252 72 72 ILE CB C 39.039 0.000 1 253 72 72 ILE N N 123.436 0.023 1 254 73 73 ASP H H 8.145 0.001 1 255 73 73 ASP C C 175.629 0.016 1 256 73 73 ASP CA C 53.225 0.055 1 257 73 73 ASP CB C 41.325 0.024 1 258 73 73 ASP N N 129.767 0.025 1 259 74 74 GLY H H 8.764 0.001 1 260 74 74 GLY CA C 44.180 0.021 1 261 74 74 GLY N N 105.620 0.019 1 262 75 75 GLY H H 8.415 0.001 1 263 75 75 GLY C C 176.024 0.006 1 264 75 75 GLY CA C 44.527 0.048 1 265 75 75 GLY N N 113.710 0.037 1 266 76 76 GLU H H 11.285 0.002 1 267 76 76 GLU C C 180.042 0.000 1 268 76 76 GLU CA C 59.307 0.000 1 269 76 76 GLU CB C 29.424 0.000 1 270 76 76 GLU N N 124.019 0.024 1 271 77 77 ARG H H 9.578 0.002 1 272 77 77 ARG C C 177.352 0.010 1 273 77 77 ARG CA C 51.651 0.024 1 274 77 77 ARG N N 127.150 0.039 1 275 78 78 THR H H 7.785 0.001 1 276 78 78 THR C C 172.663 0.008 1 277 78 78 THR CA C 61.846 0.059 1 278 78 78 THR CB C 69.776 0.025 1 279 78 78 THR N N 119.415 0.034 1 280 79 79 ASP H H 8.715 0.000 1 281 79 79 ASP C C 174.315 0.000 1 282 79 79 ASP CA C 54.713 0.000 1 283 79 79 ASP CB C 42.310 0.000 1 284 79 79 ASP N N 121.296 0.015 1 285 81 81 THR H H 8.251 0.000 1 286 81 81 THR C C 176.572 0.008 1 287 81 81 THR CA C 57.853 0.082 1 288 81 81 THR CB C 70.950 0.047 1 289 81 81 THR N N 108.122 0.001 1 290 82 82 LEU H H 9.350 0.001 1 291 82 82 LEU C C 176.251 0.010 1 292 82 82 LEU CA C 54.934 0.052 1 293 82 82 LEU CB C 43.660 0.013 1 294 82 82 LEU N N 125.144 0.057 1 295 83 83 LYS H H 8.505 0.002 1 296 83 83 LYS C C 175.913 0.004 1 297 83 83 LYS CA C 54.344 0.039 1 298 83 83 LYS CB C 34.988 0.003 1 299 83 83 LYS N N 122.412 0.058 1 300 84 84 ASN H H 8.473 0.001 1 301 84 84 ASN C C 175.701 0.005 1 302 84 84 ASN CA C 52.508 0.038 1 303 84 84 ASN CB C 38.682 0.023 1 304 84 84 ASN N N 131.096 0.024 1 305 85 85 THR H H 8.545 0.001 1 306 85 85 THR C C 175.520 0.000 1 307 85 85 THR CA C 64.048 0.000 1 308 85 85 THR CB C 68.552 0.000 1 309 85 85 THR N N 118.029 0.010 1 310 86 86 ALA H H 8.486 0.001 1 311 86 86 ALA C C 176.787 0.005 1 312 86 86 ALA CA C 51.895 0.022 1 313 86 86 ALA CB C 19.853 0.015 1 314 86 86 ALA N N 123.153 0.041 1 315 87 87 SER H H 7.400 0.000 1 316 87 87 SER C C 172.881 0.009 1 317 87 87 SER CA C 57.412 0.078 1 318 87 87 SER CB C 64.485 0.057 1 319 87 87 SER N N 113.870 0.041 1 320 88 88 ALA H H 8.214 0.002 1 321 88 88 ALA C C 177.246 0.006 1 322 88 88 ALA CA C 52.519 0.021 1 323 88 88 ALA CB C 18.029 0.019 1 324 88 88 ALA N N 119.731 0.131 1 325 89 89 ASP H H 8.131 0.000 1 326 89 89 ASP C C 174.746 0.004 1 327 89 89 ASP CA C 55.552 0.041 1 328 89 89 ASP CB C 42.467 0.007 1 329 89 89 ASP N N 118.443 0.000 1 330 90 90 VAL H H 8.314 0.001 1 331 90 90 VAL C C 175.886 0.005 1 332 90 90 VAL CA C 57.601 0.013 1 333 90 90 VAL CB C 36.007 0.027 1 334 90 90 VAL N N 111.739 0.033 1 335 91 91 VAL H H 8.661 0.001 1 336 91 91 VAL C C 175.072 0.005 1 337 91 91 VAL CA C 60.913 0.096 1 338 91 91 VAL CB C 35.239 0.036 1 339 91 91 VAL N N 120.400 0.034 1 340 92 92 ALA H H 8.851 0.002 1 341 92 92 ALA C C 176.784 0.000 1 342 92 92 ALA CA C 52.237 0.000 1 343 92 92 ALA CB C 18.293 0.000 1 344 92 92 ALA N N 132.083 0.025 1 345 95 95 VAL C C 173.438 0.007 1 346 95 95 VAL CA C 58.676 0.026 1 347 95 95 VAL CB C 34.995 0.000 1 348 96 96 TYR H H 9.632 0.003 1 349 96 96 TYR C C 174.756 0.008 1 350 96 96 TYR CA C 56.641 0.027 1 351 96 96 TYR CB C 42.758 0.061 1 352 96 96 TYR N N 119.969 0.023 1 353 97 97 ARG H H 8.706 0.001 1 354 97 97 ARG C C 173.828 0.005 1 355 97 97 ARG CA C 55.868 0.025 1 356 97 97 ARG CB C 30.958 0.033 1 357 97 97 ARG N N 121.543 0.000 1 358 98 98 ASP H H 9.037 0.001 1 359 98 98 ASP C C 175.379 0.010 1 360 98 98 ASP CA C 50.320 0.015 1 361 98 98 ASP CB C 41.700 0.013 1 362 98 98 ASP N N 115.007 0.039 1 363 99 99 ALA H H 7.953 0.002 1 364 99 99 ALA C C 179.447 0.003 1 365 99 99 ALA CA C 53.250 0.038 1 366 99 99 ALA CB C 17.044 0.001 1 367 99 99 ALA N N 126.084 0.023 1 368 100 100 ALA H H 7.253 0.002 1 369 100 100 ALA CA C 51.749 0.000 1 370 100 100 ALA CB C 17.218 0.000 1 371 100 100 ALA N N 116.101 0.025 1 372 102 102 THR C C 175.597 0.011 1 373 102 102 THR CA C 62.162 0.000 1 374 102 102 THR CB C 70.375 0.042 1 375 103 103 ASN H H 9.835 0.001 1 376 103 103 ASN C C 173.418 0.003 1 377 103 103 ASN CA C 50.828 0.010 1 378 103 103 ASN CB C 36.951 0.013 1 379 103 103 ASN N N 126.981 0.035 1 380 104 104 LEU H H 8.130 0.001 1 381 104 104 LEU C C 177.859 0.009 1 382 104 104 LEU CA C 55.249 0.011 1 383 104 104 LEU CB C 43.488 0.025 1 384 104 104 LEU N N 125.793 0.025 1 385 105 105 TYR H H 7.879 0.002 1 386 105 105 TYR C C 175.880 0.002 1 387 105 105 TYR CA C 57.610 0.025 1 388 105 105 TYR CB C 35.572 0.042 1 389 105 105 TYR N N 122.497 0.023 1 390 106 106 VAL H H 8.950 0.003 1 391 106 106 VAL C C 178.012 0.004 1 392 106 106 VAL CA C 63.338 0.072 1 393 106 106 VAL CB C 30.450 0.062 1 394 106 106 VAL N N 134.608 0.036 1 395 107 107 VAL H H 8.745 0.001 1 396 107 107 VAL C C 177.149 0.002 1 397 107 107 VAL CA C 65.330 0.037 1 398 107 107 VAL CB C 30.109 0.063 1 399 107 107 VAL N N 130.303 0.022 1 400 108 108 ASN H H 8.652 0.001 1 401 108 108 ASN C C 173.769 0.006 1 402 108 108 ASN CA C 54.812 0.010 1 403 108 108 ASN CB C 36.726 0.003 1 404 108 108 ASN N N 119.193 0.043 1 405 109 109 GLN H H 8.389 0.001 1 406 109 109 GLN C C 174.401 0.000 1 407 109 109 GLN CA C 52.397 0.000 1 408 109 109 GLN CB C 28.896 0.000 1 409 109 109 GLN N N 121.745 0.028 1 410 110 110 PRO CA C 62.793 0.000 1 411 110 110 PRO CB C 32.106 0.000 1 412 111 111 GLN H H 9.111 0.001 1 413 111 111 GLN C C 175.513 0.007 1 414 111 111 GLN CA C 54.620 0.057 1 415 111 111 GLN CB C 30.432 0.007 1 416 111 111 GLN N N 120.488 0.026 1 417 112 112 GLN H H 8.743 0.001 1 418 112 112 GLN C C 174.724 0.006 1 419 112 112 GLN CA C 56.655 0.008 1 420 112 112 GLN CB C 29.481 0.014 1 421 112 112 GLN N N 121.620 0.036 1 422 113 113 PHE H H 8.901 0.001 1 423 113 113 PHE C C 174.040 0.001 1 424 113 113 PHE CA C 56.705 0.035 1 425 113 113 PHE CB C 43.226 0.044 1 426 113 113 PHE N N 126.664 0.038 1 427 114 114 THR H H 8.095 0.001 1 428 114 114 THR C C 174.427 0.016 1 429 114 114 THR CA C 61.122 0.072 1 430 114 114 THR CB C 71.434 0.022 1 431 114 114 THR N N 114.620 0.036 1 432 115 115 THR H H 9.003 0.002 1 433 115 115 THR C C 172.426 0.019 1 434 115 115 THR CA C 60.680 0.035 1 435 115 115 THR CB C 70.449 0.019 1 436 115 115 THR N N 119.473 0.037 1 437 116 116 VAL H H 8.490 0.001 1 438 116 116 VAL C C 175.703 0.003 1 439 116 116 VAL CA C 60.404 0.021 1 440 116 116 VAL CB C 33.799 0.019 1 441 116 116 VAL N N 121.294 0.046 1 442 117 117 SER H H 8.400 0.001 1 443 117 117 SER C C 176.329 0.000 1 444 117 117 SER CA C 59.390 0.048 1 445 117 117 SER CB C 62.523 0.074 1 446 117 117 SER N N 119.353 0.054 1 447 118 118 GLY H H 8.874 0.001 1 448 118 118 GLY C C 173.838 0.000 1 449 118 118 GLY CA C 45.283 0.033 1 450 118 118 GLY N N 113.297 0.009 1 451 119 119 GLN H H 8.007 0.000 1 452 119 119 GLN C C 174.987 0.004 1 453 119 119 GLN CA C 53.638 0.024 1 454 119 119 GLN CB C 30.586 0.020 1 455 119 119 GLN N N 118.632 0.000 1 456 120 120 ALA H H 8.714 0.001 1 457 120 120 ALA C C 178.220 0.005 1 458 120 120 ALA CA C 51.891 0.038 1 459 120 120 ALA CB C 18.981 0.044 1 460 120 120 ALA N N 127.761 0.009 1 461 121 121 THR H H 9.146 0.001 1 462 121 121 THR C C 173.268 0.009 1 463 121 121 THR CA C 62.104 0.032 1 464 121 121 THR CB C 70.032 0.018 1 465 121 121 THR N N 121.851 0.034 1 466 122 122 ALA H H 8.739 0.000 1 467 122 122 ALA C C 176.719 0.009 1 468 122 122 ALA CA C 51.419 0.025 1 469 122 122 ALA CB C 19.022 0.016 1 470 122 122 ALA N N 130.515 0.000 1 471 123 123 VAL H H 8.128 0.001 1 472 123 123 VAL C C 172.524 0.000 1 473 123 123 VAL CA C 58.603 0.000 1 474 123 123 VAL CB C 30.544 0.000 1 475 123 123 VAL N N 123.254 0.025 1 476 124 124 PRO C C 176.822 0.002 1 477 124 124 PRO CA C 62.254 0.023 1 478 124 124 PRO CB C 32.114 0.045 1 479 125 125 ILE H H 7.642 0.001 1 480 125 125 ILE C C 173.542 0.010 1 481 125 125 ILE CA C 61.856 0.001 1 482 125 125 ILE CB C 39.778 0.006 1 483 125 125 ILE N N 120.939 0.035 1 484 126 126 PHE H H 9.485 0.004 1 485 126 126 PHE C C 176.609 0.012 1 486 126 126 PHE CA C 56.862 0.056 1 487 126 126 PHE CB C 39.553 0.030 1 488 126 126 PHE N N 126.229 0.029 1 489 127 127 GLY H H 9.548 0.001 1 490 127 127 GLY C C 173.979 0.011 1 491 127 127 GLY CA C 44.145 0.004 1 492 127 127 GLY N N 109.486 0.043 1 493 128 128 ALA H H 9.057 0.002 1 494 128 128 ALA C C 175.809 0.008 1 495 128 128 ALA CA C 52.227 0.003 1 496 128 128 ALA CB C 23.194 0.052 1 497 128 128 ALA N N 123.514 0.033 1 498 129 129 ILE H H 9.067 0.001 1 499 129 129 ILE C C 174.220 0.005 1 500 129 129 ILE CA C 61.019 0.035 1 501 129 129 ILE CB C 41.123 0.013 1 502 129 129 ILE N N 124.686 0.039 1 503 130 130 ALA H H 8.603 0.001 1 504 130 130 ALA C C 175.253 0.000 1 505 130 130 ALA CA C 51.413 0.000 1 506 130 130 ALA CB C 16.456 0.000 1 507 130 130 ALA N N 129.248 0.030 1 508 131 131 PRO C C 175.048 0.007 1 509 131 131 PRO CA C 63.784 0.000 1 510 131 131 PRO CB C 31.569 0.000 1 511 132 132 ASN H H 6.603 0.001 1 512 132 132 ASN C C 173.667 0.006 1 513 132 132 ASN CA C 51.130 0.041 1 514 132 132 ASN CB C 38.445 0.054 1 515 132 132 ASN N N 119.472 0.039 1 516 133 133 THR H H 8.318 0.001 1 517 133 133 THR C C 175.155 0.003 1 518 133 133 THR CA C 60.711 0.061 1 519 133 133 THR CB C 68.504 0.068 1 520 133 133 THR N N 114.127 0.033 1 521 134 134 GLY H H 7.524 0.001 1 522 134 134 GLY C C 173.277 0.002 1 523 134 134 GLY CA C 44.583 0.042 1 524 134 134 GLY N N 110.679 0.033 1 525 135 135 THR H H 7.907 0.001 1 526 135 135 THR C C 172.581 0.000 1 527 135 135 THR CA C 59.497 0.000 1 528 135 135 THR CB C 69.278 0.000 1 529 135 135 THR N N 119.662 0.039 1 530 136 136 PRO C C 177.433 0.005 1 531 136 136 PRO CA C 62.050 0.070 1 532 136 136 PRO CB C 31.448 0.024 1 533 137 137 LYS H H 8.500 0.001 1 534 137 137 LYS C C 178.277 0.013 1 535 137 137 LYS CA C 53.039 0.000 1 536 137 137 LYS CB C 31.779 0.000 1 537 137 137 LYS N N 123.382 0.037 1 538 138 138 ALA H H 8.693 0.002 1 539 138 138 ALA C C 178.497 0.000 1 540 138 138 ALA CA C 52.228 0.026 1 541 138 138 ALA CB C 18.780 0.026 1 542 138 138 ALA N N 127.504 0.026 1 543 139 139 GLN H H 8.549 0.000 1 544 139 139 GLN C C 175.877 0.001 1 545 139 139 GLN CA C 55.966 0.036 1 546 139 139 GLN CB C 28.753 0.012 1 547 139 139 GLN N N 119.442 0.000 1 548 140 140 GLY H H 8.535 0.002 1 549 140 140 GLY C C 171.085 0.005 1 550 140 140 GLY CA C 44.244 0.030 1 551 140 140 GLY N N 111.272 0.029 1 552 141 141 ASP H H 8.139 0.001 1 553 141 141 ASP C C 175.393 0.000 1 554 141 141 ASP CA C 52.844 0.000 1 555 141 141 ASP N N 119.740 0.031 1 556 142 142 TYR C C 176.025 0.000 1 557 142 142 TYR CA C 57.058 0.030 1 558 142 142 TYR CB C 39.718 0.008 1 559 143 143 LYS H H 7.997 0.001 1 560 143 143 LYS C C 176.548 0.007 1 561 143 143 LYS CA C 55.125 0.023 1 562 143 143 LYS CB C 37.433 0.041 1 563 143 143 LYS N N 119.333 0.036 1 564 144 144 ASP H H 7.688 0.001 1 565 144 144 ASP C C 174.786 0.004 1 566 144 144 ASP CA C 53.194 0.004 1 567 144 144 ASP CB C 43.701 0.004 1 568 144 144 ASP N N 115.204 0.044 1 569 145 145 THR H H 9.119 0.000 1 570 145 145 THR C C 173.252 0.003 1 571 145 145 THR CA C 61.326 0.075 1 572 145 145 THR CB C 70.886 0.047 1 573 145 145 THR N N 120.521 0.000 1 574 146 146 LEU H H 8.752 0.001 1 575 146 146 LEU C C 174.540 0.011 1 576 146 146 LEU CA C 52.596 0.023 1 577 146 146 LEU CB C 44.185 0.015 1 578 146 146 LEU N N 127.466 0.031 1 579 147 147 LEU H H 8.576 0.001 1 580 147 147 LEU C C 176.495 0.010 1 581 147 147 LEU CA C 53.599 0.023 1 582 147 147 LEU CB C 42.925 0.012 1 583 147 147 LEU N N 126.309 0.029 1 584 148 148 VAL H H 8.985 0.001 1 585 148 148 VAL C C 173.759 0.084 1 586 148 148 VAL CA C 60.996 0.001 1 587 148 148 VAL CB C 31.017 0.024 1 588 148 148 VAL N N 132.591 0.029 1 589 149 149 THR H H 9.028 0.001 1 590 149 149 THR CA C 61.218 0.000 1 591 149 149 THR CB C 69.092 0.000 1 592 149 149 THR N N 122.757 0.015 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 800 _T1_coherence_type Sz _T1_value_units ms _Mol_system_component_name CsuC _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 13 GLU N 1006.16419 159.69328 2 14 ALA N 918.56202 141.8088 3 15 ASN N 868.77763 118.2971 4 16 GLU N 941.80465 124.69396 5 17 LYS N 811.4577 53.26482 6 18 ALA N 912.64154 128.91576 7 19 THR N 1175.91534 165.75862 8 20 ALA N 1016.93808 154.65822 9 22 TRP N 876.68568 140.09101 10 23 LEU N 1376.3982 234.43012 11 26 THR N 775.74164 183.90587 12 27 GLY N 909.09159 90.61973 13 28 LYS N 1102.58836 115.71972 14 30 ASP N 1281.27096 171.39457 15 41 ASN N 1838.65942 222.98363 16 42 GLN N 2219.40055 205.01255 17 43 ASP N 937.20254 134.51418 18 44 GLY N 1178.40649 143.15357 19 47 ASP N 1812.65347 98.83988 20 48 ASN N 1971.81966 274.46577 21 49 TYR N 1671.45462 180.5329 22 50 SER N 1414.05665 175.67229 23 51 GLU N 1515.06716 191.34645 24 52 GLN N 1854.12353 197.90646 25 53 SER N 838.17896 144.20841 26 54 GLU N 921.44386 125.84188 27 55 ILE N 1230.37326 206.02715 28 56 ILE N 1099.23058 166.17439 29 62 ALA N 1972.38153 162.33908 30 63 LYS N 1817.33403 194.59695 31 64 ILE N 1840.141 148.73807 32 65 LYS N 1756.92117 124.96412 33 68 GLU N 2226.55026 3200.46988 34 69 LYS N 1749.74087 357.10615 35 75 THR N 996.78585 158.66169 36 76 LYS N 1249.39351 134.8488 37 77 SER N 986.8098 126.32331 38 78 VAL N 1098.88844 251.53125 39 80 LEU N 1010.45596 138.32279 40 82 ASP N 1510.49239 140.144 41 83 GLY N 1036.71784 132.24085 42 84 LYS N 860.82297 131.39986 43 85 GLU N 990.60391 140.65767 44 97 ILE N 998.18659 44.39583 45 98 ARG N 549.7879 83.54658 46 99 LEU N 536.10549 22.94829 47 100 SER N 461.83954 39.84328 48 101 ASP N 427.07398 33.64665 49 102 GLY N 423.66866 29.44933 50 103 ASN N 405.04517 36.02828 51 104 GLU N 490.41959 42.99791 52 105 GLN N 630.61424 47.8567 53 106 ASP N 725.95587 64.63231 54 107 ALA N 797.81116 95.49517 55 108 SER N 790.39093 121.4374 56 109 LYS N 1026.32031 151.20972 57 110 VAL N 1391.26367 176.80764 58 111 SER N -4.87E+04 -4110.60355 59 113 GLN N 1092.88591 230.80103 60 114 MET N 923.34696 201.9413 61 116 TYR N 993.7336 241.20899 62 117 SER N 1328.45907 275.34474 63 118 ILE N 1050.46696 229.61944 64 123 TYR N 940.17092 126.01317 65 124 GLY N 835.70325 120.89808 66 125 LYS N 1280.68489 163.31498 67 126 GLY N 1053.92591 139.71133 68 127 ILE N 992.63464 116.4137 69 128 GLY N 996.26168 135.21252 70 129 SER N 862.14217 129.75999 71 130 GLY N 797.48866 120.41579 72 132 THR N 899.04972 121.40896 73 133 GLU N 646.01678 104.55125 74 134 GLU N 859.68379 112.34028 75 137 LYS N 774.93117 119.2024 76 138 LEU N 1076.12382 143.30139 77 139 ASN N 1207.9549 170.73021 78 140 ALA N 1324.41032 144.74868 79 141 LYS N 1262.68745 150.46042 80 142 ASN N 1338.7505 141.14506 81 143 ALA N 897.95313 140.75026 82 144 LEU N 1104.80714 144.78492 83 145 ALA N 1390.81371 198.38315 84 146 LYS N 1231.57395 157.50294 85 153 VAL N 1384.13138 176.89631 86 154 ARG N 1323.83931 203.18108 87 155 ASN N 781.41533 126.62161 88 156 ASN N 971.2528 119.61349 89 157 GLN N 608.02806 84.59973 90 158 GLN N 967.75161 97.56731 91 159 GLY N 926.48082 109.48158 92 160 GLN N 1016.82889 95.008 93 161 SER N 1314.14694 137.11762 94 163 LEU N 1698.40801 183.58186 95 168 ASN N 1598.85228 178.54043 96 169 GLY N 1734.18455 231.24763 97 170 GLN N 680.26332 408.45812 98 171 LYS N 1003.92382 160.48651 99 172 PHE N 941.7174 137.39887 100 178 LEU N 1168.10944 147.85998 101 179 LYS N 1375.53134 203.78761 102 182 LYS N 758.36616 56.7575 103 183 THR N 609.59403 41.1037 104 184 GLY N 577.87295 59.54215 105 185 ASN N 643.14403 79.78987 106 186 ASP N 778.75273 89.0812 107 187 ILE N 965.55761 100.66784 108 188 SER N 904.28227 102.31573 109 189 LEU N 1024.17715 121.36457 110 190 GLY N 896.31756 84.39068 111 191 LYS N 892.07555 156.75325 112 199 SER N 937.69034 154.36512 113 200 ASN N 1226.26716 156.16002 114 201 SER N 1214.42319 137.67804 115 202 THR N 1108.7097 163.08523 116 206 ALA N 2091.98753 182.2704 117 207 ILE N 1665.1105 170.27644 118 208 ASP N 1139.83501 146.71001 119 209 GLN N 939.39979 139.79283 120 210 SER N 770.14685 125.53038 121 213 HIS N 1060.71302 147.69943 122 214 GLU N 1309.2274 164.44363 123 224 VAL N 1282.19184 218.77027 124 225 ASP N 1337.88111 194.76515 125 226 SER N 959.22552 130.6692 126 229 ILE N 1330.10903 127.42114 127 230 LYS N 1195.11543 109.61957 128 231 GLN N 1307.31188 117.78345 129 232 GLU N 1170.45618 154.56392 130 234 ILE N 1589.60737 199.52519 131 235 GLU N 2584.30928 202.10063 132 236 ILE N 1363.24041 161.06698 133 239 MET N 1411.88224 177.13257 134 240 GLU N 864.17679 56.42008 135 241 ASP N 651.62095 27.46339 stop_ save_ save_heteronuclear_T1_list_2 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 800 _T1_coherence_type Sz _T1_value_units ms _Mol_system_component_name CsuA/B _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 2 VAL N 1198.7824 175.96147 2 3 THR N 1135.14216 779.17376 3 9 HIS N 876.69856 108.08056 4 10 SER N 998.13903 116.75915 5 14 THR N 975.67646 101.22421 6 15 VAL N 1055.1959 137.07911 7 16 GLY N 1015.10636 124.98066 8 17 GLY N 923.62644 94.51255 9 18 SER N 910.73264 94.53571 10 19 GLN N 1437.18522 108.26249 11 20 THR N 452.04767 66.01316 12 21 GLU N 680.30421 63.60883 13 22 GLY N 511.51352 36.78944 14 23 ASN N 563.57359 50.52522 15 24 MET N 803.42663 87.81708 16 25 ASN N 591.34596 58.38414 17 26 LYS N 665.44004 51.41002 18 27 PHE N 803.84593 53.07491 19 28 GLY N 870.66446 67.46452 20 29 THR N 940.84943 70.86153 21 40 ASN N 818.32554 116.12775 22 41 ASN N 1250.12983 172.85434 23 42 VAL N 1765.21924 156.23125 24 43 LEU N 355.89194 39.36742 25 44 THR N 1080.55649 151.41698 26 45 ALA N 1077.53164 150.41693 27 46 GLU N 1383.5132 107.47878 28 47 VAL N 1000.17181 221.56916 29 48 ALA N 945.15554 87.21223 30 49 SER N 682.78284 52.21848 31 50 ALA N 620.04566 68.7355 32 51 ALA N 640.52174 63.65422 33 52 THR N 625.22938 57.40697 34 53 GLY N 623.22076 59.09736 35 55 ASN N 725.85913 133.29378 36 57 SER N 975.28066 112.81741 37 58 VAL N 1017.86293 121.47518 38 59 THR N 1002.7445 118.77404 39 60 CYS N 1068.44428 120.40328 40 62 GLY N 989.64341 101.00069 41 64 ASP N 933.29737 73.0474 42 67 ASP N 895.45 77.9203 43 69 THR N 1260.76644 153.00106 44 70 VAL N 1214.58992 149.376 45 71 ALA N 996.8217 120.89354 46 72 ILE N 970.72003 124.16389 47 73 ASP N 1039.89317 141.7151 48 74 GLY N 1449.35113 184.37688 49 75 GLY N 1231.56442 168.0449 50 76 GLU N 869.57585 113.8839 51 77 ARG N 897.94684 87.32239 52 78 THR N 1056.72707 131.05042 53 79 ASP N 1052.9746 148.97289 54 81 THR N 968.10532 147.01706 55 84 ASN N 872.38084 112.49786 56 85 THR N 814.63434 101.09579 57 86 ALA N 839.64329 108.29384 58 87 SER N 1007.45222 131.51864 59 88 ALA N 1472.06291 194.92022 60 90 VAL N 1076.75715 153.7442 61 91 VAL N 996.14118 144.59889 62 92 ALA N 1891.53361 193.22125 63 96 TYR N 1321.16335 147.36464 64 98 ASP N 993.85639 145.69983 65 99 ALA N 1473.66707 172.31516 66 100 ALA N 1268.23989 215.04745 67 103 ASN N 981.62099 145.83171 68 104 LEU N 1200.05471 165.26709 69 105 TYR N 1095.32793 158.6438 70 106 VAL N 1084.96669 166.95545 71 107 VAL N 1513.13266 202.26331 72 108 ASN N 1078.93514 166.00965 73 109 GLN N 961.6264 144.48625 74 111 GLN N 1134.0162 158.41413 75 112 GLN N 1426.42542 147.79739 76 113 PHE N 1423.25076 161.49979 77 114 THR N 1493.47518 211.42164 78 116 VAL N 1001.97955 146.5736 79 117 SER N 1186.36321 118.10606 80 118 GLY N 323.33869 66.32072 81 120 ALA N 978.84891 87.28565 82 121 THR N 901.09401 184.61018 83 122 ALA N 1516.31772 275.67552 84 123 VAL N 2866.02781 1424.30986 85 125 ILE N 1217.49228 129.97104 86 126 PHE N 1125.54068 152.28481 87 127 GLY N 968.36703 244.77953 88 128 ALA N 1318.78856 147.8588 89 129 ILE N 1538.79735 202.13443 90 130 ALA N 2287.07285 154.05688 91 132 ASN N 1131.42498 136.83972 92 133 THR N 837.42965 117.61855 93 134 GLY N 691.6804 96.32795 94 135 THR N 720.70786 82.1016 95 137 LYS N 1107.71296 146.82421 96 138 ALA N 871.06838 152.37196 97 139 GLN N 1198.50592 143.73327 98 140 GLY N 927.02705 114.7899 99 141 ASP N 1136.38791 157.52875 100 143 LYS N 976.89946 125.26556 101 144 ASP N 1229.19443 183.59817 102 146 LEU N 1142.35381 133.80148 103 147 LEU N 1219.31812 128.84977 104 148 VAL N 1161.39311 120.19738 105 149 THR N 1334.27317 161.64911 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 800 _T2_coherence_type S(+,-) _T2_value_units ms _Mol_system_component_name CsuC _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 14 ALA N 24.59543 0.25829 . . 2 15 ASN N 25.00932 0.08638 . . 3 16 GLU N 22.70709 0.15851 . . 4 17 LYS N 26.11472 0.3192 . . 5 18 ALA N 23.61236 0.42302 . . 6 19 THR N 23.63817 0.1688 . . 7 20 ALA N 25.11989 0.23316 . . 8 22 TRP N 26.80331 0.13481 . . 9 23 LEU N 20.7513 0.68431 . . 10 24 GLN N 28.33171 3.15545 . . 11 26 THR N 23.32214 0.83911 . . 12 27 GLY N 25.93847 2.02058 . . 13 28 LYS N 28.00719 0.53202 . . 14 29 THR N 26.17233 0.51273 . . 15 30 ASP N 24.94778 0.24704 . . 16 32 MET N 25.40753 0.18159 . . 17 41 ASN N 21.36036 0.25638 . . 18 42 GLN N 22.1343 0.12902 . . 19 43 ASP N 35.60368 2.11511 . . 20 44 GLY N 19.80259 0.26853 . . 21 47 ASP N 26.32829 0.42739 . . 22 48 ASN N 22.6286 0.12093 . . 23 49 TYR N 23.71781 0.51934 . . 24 50 SER N 25.6359 0.2191 . . 25 51 GLU N 25.93181 0.26115 . . 26 52 GLN N 22.28696 0.16906 . . 27 53 SER N 26.16101 0.15628 . . 28 54 GLU N 23.60668 0.36238 . . 29 55 ILE N 25.40958 0.32923 . . 30 56 ILE N 23.66595 0.10405 . . 31 61 VAL N 24.98919 0.57201 . . 32 62 ALA N 24.99809 0.10034 . . 33 63 LYS N 24.94794 0.36974 . . 34 64 ILE N 25.48686 0.37742 . . 35 65 LYS N 21.93534 0.44877 . . 36 68 GLU N 19.29268 1.3574 . . 37 69 LYS N 22.45965 1.10638 . . 38 74 LEU N 25.10799 0.29927 . . 39 75 THR N 22.58646 0.35299 . . 40 76 LYS N 24.11184 0.34601 . . 41 77 SER N 24.32275 0.19864 . . 42 78 VAL N 17.20135 0.70361 . . 43 79 ASN N 31.95552 0.22774 . . 44 80 LEU N 19.02278 0.16333 . . 45 82 ASP N 26.82309 0.24767 . . 46 83 GLY N 25.04959 0.38271 . . 47 84 LYS N 25.25313 0.23035 . . 48 85 GLU N 24.62966 0.34143 . . 49 97 ILE N 40.70702 0.83138 . . 50 98 ARG N 57.75253 2.13026 . . 51 99 LEU N 59.39684 5.33745 . . 52 100 SER N 91.40003 1.22911 . . 53 101 ASP N 108.73184 1.16845 . . 54 102 GLY N 108.81034 6.37668 . . 55 103 ASN N 105.9831 3.13702 . . 56 105 GLN N 47.62539 0.48475 . . 57 106 ASP N 41.24311 0.33402 . . 58 107 ALA N 33.88473 0.34913 . . 59 108 SER N 28.51761 0.54842 . . 60 109 LYS N 25.87791 0.34463 . . 61 110 VAL N 25.65547 0.33047 . . 62 111 SER N 81.3499 42.0882 . . 63 113 GLN N 21.2286 0.85237 . . 64 114 MET N 20.55582 0.75533 . . 65 115 ARG N 24.78935 1.60417 . . 66 116 TYR N 21.02425 1.22857 . . 67 117 SER N 20.45955 0.95943 . . 68 118 ILE N 24.42244 0.60642 . . 69 123 TYR N 26.35246 0.24627 . . 70 124 GLY N 22.43956 0.50449 . . 71 125 LYS N 26.85796 0.0799 . . 72 126 GLY N 23.26555 0.20346 . . 73 127 ILE N 20.63863 0.36579 . . 74 128 GLY N 20.50143 0.6036 . . 75 129 SER N 23.82105 0.46561 . . 76 130 GLY N 23.25945 0.52222 . . 77 131 LEU N 25.20871 0.32095 . . 78 132 THR N 23.25671 0.87248 . . 79 133 GLU N 24.64964 0.45844 . . 80 134 GLU N 23.63849 0.20187 . . 81 137 LYS N 24.40958 0.4286 . . 82 138 LEU N 23.45943 0.24974 . . 83 139 ASN N 23.27638 0.14098 . . 84 140 ALA N 22.29856 0.16499 . . 85 141 LYS N 26.80821 0.09083 . . 86 142 ASN N 27.01239 0.11645 . . 87 143 ALA N 26.33307 0.16606 . . 88 144 LEU N 24.25482 0.19858 . . 89 145 ALA N 21.65353 0.15465 . . 90 146 LYS N 26.33271 0.08536 . . 91 154 ARG N 24.96093 0.35983 . . 92 155 ASN N 26.2146 0.26925 . . 93 156 ASN N 29.00985 0.15137 . . 94 157 GLN N 32.21204 0.35348 . . 95 158 GLN N 29.71775 0.43101 . . 96 159 GLY N 31.02425 0.38255 . . 97 160 GLN N 29.47429 0.1961 . . 98 161 SER N 27.83695 0.24983 . . 99 163 LEU N 23.21734 0.41228 . . 100 168 ASN N 26.31256 0.28842 . . 101 169 GLY N 20.5473 0.36674 . . 102 170 GLN N 13.48429 0.94507 . . 103 171 LYS N 20.53965 0.36053 . . 104 172 PHE N 24.06529 0.30983 . . 105 178 LEU N 25.30623 0.28237 . . 106 179 LYS N 22.63161 0.38235 . . 107 182 LYS N 38.88978 0.84259 . . 108 183 THR N 44.14289 1.17318 . . 109 184 GLY N 31.37974 1.12151 . . 110 185 ASN N 34.14542 0.33187 . . 111 186 ASP N 31.7153 1.13736 . . 112 187 ILE N 25.0315 0.40953 . . 113 189 LEU N 24.5748 0.83315 . . 114 190 GLY N 28.12491 0.36414 . . 115 191 LYS N 19.58989 0.48884 . . 116 199 SER N 22.7658 0.51521 . . 117 200 ASN N 22.03292 0.11902 . . 118 201 SER N 23.86644 0.39627 . . 119 202 THR N 26.71522 0.31352 . . 120 206 ALA N 26.20131 0.46325 . . 121 207 ILE N 25.85657 0.38811 . . 122 208 ASP N 26.62582 0.59796 . . 123 209 GLN N 21.63488 0.09413 . . 124 210 SER N 24.26872 0.43069 . . 125 213 HIS N 24.97369 1.02983 . . 126 214 GLU N 22.90561 0.27747 . . 127 224 VAL N 23.39244 0.58579 . . 128 225 ASP N 20.93354 0.16111 . . 129 226 SER N 23.43652 0.44316 . . 130 229 ILE N 25.49491 0.56511 . . 131 230 LYS N 25.54913 0.225 . . 132 231 GLN N 25.63343 0.25709 . . 133 232 GLU N 25.3469 0.14829 . . 134 234 ILE N 21.26731 0.36654 . . 135 235 GLU N 23.69114 0.42541 . . 136 236 ILE N 26.30195 0.27513 . . 137 239 MET N 23.95297 0.22643 . . 138 240 GLU N 33.97293 1.33509 . . 139 241 ASP N 91.24456 2.72913 . . stop_ save_ save_heteronuclear_T2_list_2 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 800 _T2_coherence_type S(+,-) _T2_value_units ms _Mol_system_component_name CsuA/B _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 2 VAL N 113.73336 15.97066 . . 2 3 THR N 113.72567 10.67874 . . 3 9 HIS N 22.71535 0.39131 . . 4 10 SER N 26.35118 0.29813 . . 5 14 THR N 24.45682 0.58977 . . 6 15 VAL N 23.11238 0.54928 . . 7 16 GLY N 22.87531 1.20324 . . 8 17 GLY N 25.87629 0.26842 . . 9 19 GLN N 31.96351 0.77558 . . 10 20 THR N 38.61411 1.72638 . . 11 21 GLU N 38.94301 0.69418 . . 12 22 GLY N 55.45608 1.53114 . . 13 23 ASN N 44.48784 0.63673 . . 14 25 ASN N 38.54622 0.64823 . . 15 26 LYS N 42.27627 1.31928 . . 16 27 PHE N 34.99415 0.73857 . . 17 28 GLY N 31.90887 1.2511 . . 18 29 THR N 24.77545 1.1565 . . 19 40 ASN N 29.28217 0.26353 . . 20 41 ASN N 26.95696 0.41886 . . 21 42 VAL N 29.27666 0.66731 . . 22 43 LEU N 235.43371 32.65857 . . 23 44 THR N 23.37124 0.5084 . . 24 45 ALA N 21.14746 0.6461 . . 25 46 GLU N 24.59688 0.4211 . . 26 47 VAL N 23.01247 1.01494 . . 27 48 ALA N 25.32633 0.42171 . . 28 49 SER N 37.72318 0.92963 . . 29 51 ALA N 33.31024 0.44221 . . 30 52 THR N 24.83214 0.24152 . . 31 53 GLY N 34.33592 1.14117 . . 32 54 GLY N 30.4701 1.7092 . . 33 55 ASN N 26.93368 0.7216 . . 34 57 SER N 21.96709 0.32466 . . 35 58 VAL N 28.82038 0.86029 . . 36 59 THR N 25.60109 0.51786 . . 37 60 CYS N 28.44273 1.00348 . . 38 62 GLY N 21.3486 0.25636 . . 39 63 THR N 25.33177 0.12101 . . 40 64 ASP N 29.14099 0.8433 . . 41 69 THR N 21.40467 0.68044 . . 42 70 VAL N 23.45784 0.14647 . . 43 71 ALA N 24.82452 0.42568 . . 44 72 ILE N 26.37928 0.58785 . . 45 73 ASP N 22.73511 0.1984 . . 46 74 GLY N 23.31879 0.37304 . . 47 75 GLY N 20.63839 0.15572 . . 48 76 GLU N 23.85653 0.45751 . . 49 77 ARG N 26.52099 0.23659 . . 50 78 THR N 25.51405 0.65176 . . 51 79 ASP N 26.63703 0.71282 . . 52 81 THR N 23.4814 3.58858 . . 53 82 LEU N 26.18089 0.78639 . . 54 84 ASN N 21.7477 0.42238 . . 55 85 THR N 27.28562 0.38385 . . 56 86 ALA N 26.35978 0.25544 . . 57 87 SER N 30.46677 0.39598 . . 58 88 ALA N 24.03458 0.26589 . . 59 89 ASP N 31.12397 0.88191 . . 60 90 VAL N 22.23651 0.1534 . . 61 91 VAL N 24.46676 0.08073 . . 62 92 ALA N 20.64286 0.34653 . . 63 98 ASP N 23.36246 0.18585 . . 64 99 ALA N 22.39001 0.56023 . . 65 100 ALA N 23.30373 0.27181 . . 66 103 ASN N 23.33253 0.47433 . . 67 104 LEU N 25.85643 0.2281 . . 68 106 VAL N 22.77383 0.64669 . . 69 107 VAL N 22.28398 0.2818 . . 70 108 ASN N 21.61229 0.2256 . . 71 109 GLN N 20.80607 0.5512 . . 72 111 GLN N 24.21601 0.0572 . . 73 112 GLN N 22.11804 0.24575 . . 74 113 PHE N 25.02891 0.94185 . . 75 114 THR N 24.6613 0.21119 . . 76 116 VAL N 24.90968 0.71359 . . 77 117 SER N 29.03237 0.23077 . . 78 118 GLY N 32.96791 0.39701 . . 79 120 ALA N 29.40024 0.60692 . . 80 121 THR N 24.0047 0.73605 . . 81 122 ALA N 19.40788 0.97701 . . 82 123 VAL N 24.9992 0.86518 . . 83 125 ILE N 23.81189 0.42648 . . 84 126 PHE N 23.60679 0.32505 . . 85 127 GLY N 20.36063 0.53834 . . 86 128 ALA N 22.28169 0.27294 . . 87 129 ILE N 26.74748 0.22547 . . 88 130 ALA N 24.07367 0.12464 . . 89 132 ASN N 23.05816 0.41157 . . 90 133 THR N 26.75085 0.31281 . . 91 135 THR N 48.37421 0.21641 . . 92 137 LYS N 24.57163 0.45577 . . 93 138 ALA N 26.63639 0.9899 . . 94 139 GLN N 25.3301 0.15619 . . 95 140 GLY N 26.67322 0.5443 . . 96 141 ASP N 25.52582 0.16247 . . 97 143 LYS N 24.37953 0.15989 . . 98 144 ASP N 26.05775 0.29891 . . 99 146 LEU N 27.57389 0.56331 . . 100 147 LEU N 24.40209 0.67571 . . 101 148 VAL N 24.56186 0.72408 . . stop_ save_ save_heteronuclear_noe_list_1 _Saveframe_category heteronuclear_NOE _Details . loop_ _Experiment_label '3D HNCO' stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 800 _Mol_system_component_name CsuC _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'peak height' _NOE_reference_value . _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 13 GLU 0.89729 0.06487 14 ALA 0.86013 0.09715 15 ASN 0.75923 0.09074 16 GLU 0.86176 0.07369 17 LYS 0.7164 0.11045 18 ALA 0.79082 0.09351 19 THR 0.92188 0.07554 20 ALA 0.78921 0.07748 22 TRP 0.82017 0.18041 23 LEU 0.85824 0.1763 24 GLN 0.93378 0.14917 26 THR 0.86182 0.25376 27 GLY 0.77422 0.21134 28 LYS 0.66004 0.15013 29 THR 0.29249 0.08077 30 ASP 0.64148 0.06833 31 ALA 0.84454 0.11724 32 MET 0.8629 0.08591 41 ASN 0.91352 0.12138 42 GLN 0.82854 0.08518 43 ASP 0.58512 0.12019 44 GLY 0.79745 0.10819 47 ASP 0.52847 0.05768 48 ASN 0.79824 0.08691 49 TYR 0.72394 0.07207 50 SER 0.80937 0.1227 51 GLU 0.76435 0.07138 52 GLN 0.805 0.07741 53 SER 0.79861 0.09816 54 GLU 0.7572 0.07964 55 ILE 0.90103 0.12773 56 ILE 0.89237 0.08201 61 VAL 0.86004 0.09147 62 ALA 0.89249 0.07622 63 LYS 0.81555 0.04827 64 ILE 0.82912 0.19655 65 LYS 0.83914 0.16362 67 GLY 0.83788 0.11288 68 GLU 0.73274 0.13202 69 LYS 0.80547 0.11619 74 LEU 0.91166 0.08569 75 THR 0.90477 0.09272 76 LYS 0.90293 0.08637 77 SER 0.77482 0.09506 78 VAL 0.9492 0.26213 79 ASN 0.5775 0.03754 80 LEU 0.61525 0.08896 82 ASP 0.83422 0.05866 83 GLY 0.91773 0.07819 84 LYS 0.89735 0.08294 85 GLU 0.87475 0.07532 97 ILE 0.56052 0.07349 98 ARG 0.55337 0.07189 99 LEU 0.38874 0.06434 100 SER 0.38818 0.03269 101 ASP 0.39396 0.03216 102 GLY 0.40445 0.02824 103 ASN 0.41691 0.02654 104 GLU 0.42427 0.03443 105 GLN 0.48157 0.04401 106 ASP 0.63669 0.03701 107 ALA 0.61251 0.09227 108 SER 0.71823 0.12074 109 LYS 0.74863 0.09757 110 VAL 0.79713 0.13582 111 SER 0.72432 0.12491 113 GLN 0.89083 0.215 114 MET 0.82744 0.19413 115 ARG 0.94688 0.18157 116 TYR 0.9383 0.20319 117 SER 0.95202 0.22393 118 ILE 0.8365 0.37227 123 TYR 0.8841 0.16747 124 GLY 0.84561 0.08387 125 LYS 0.85623 0.06285 126 GLY 0.80236 0.08135 127 ILE 0.89961 0.07518 128 GLY 0.77527 0.08372 129 SER 0.89533 0.15015 130 GLY 0.93937 0.19815 131 LEU 0.81346 0.13375 132 THR 0.68378 0.12335 133 GLU 0.68161 0.12425 134 GLU 0.73504 0.07746 137 LYS 0.64567 0.10801 138 LEU 0.81766 0.08437 139 ASN 0.75355 0.09267 140 ALA 0.83246 0.08419 141 LYS 0.48623 0.07253 142 ASN 0.6686 0.07715 143 ALA 0.706 0.07527 144 LEU 0.62232 0.07616 145 ALA 0.79513 0.08407 146 LYS 0.80446 0.07813 153 VAL 0.78943 0.10957 154 ARG 0.81608 0.07828 155 ASN 0.55876 0.05914 156 ASN 0.61951 0.04821 157 GLN 0.40305 0.07211 158 GLN 0.43262 0.07256 159 GLY 0.5185 0.05718 160 GLN 0.45017 0.04969 161 SER 0.51269 0.05047 162 GLU 0.82242 0.07989 163 LEU 0.94833 0.31345 168 ASN 0.95581 0.09928 169 GLY 0.96769 0.14453 170 GLN 0.77198 0.068 171 LYS 0.93565 0.09993 172 PHE 0.91662 0.18021 178 LEU 0.77664 0.08994 179 LYS 0.83908 0.08574 182 LYS 0.65897 0.09873 183 THR 0.59304 0.09324 184 GLY 0.59112 0.09771 185 ASN 0.56741 0.05061 186 ASP 0.6161 0.04967 187 ILE 0.72012 0.10656 188 SER 0.72866 0.07476 189 LEU 0.61894 0.07523 190 GLY 0.65908 0.06183 191 LYS 0.72579 0.23224 199 SER 0.87862 0.14539 200 ASN 0.88357 0.08443 201 SER 0.71589 0.1206 202 THR 0.85841 0.09011 206 ALA 0.74439 0.06562 207 ILE 0.74601 0.05822 208 ASP 0.80868 0.07277 209 GLN 0.82551 0.07489 210 SER 0.68379 0.09939 213 HIS 0.68648 0.08333 214 GLU 0.89003 0.11325 224 VAL 0.8297 0.11159 225 ASP 0.90675 0.12118 226 SER 0.89178 0.1264 229 ILE 0.92289 0.27111 230 LYS 0.67479 0.06755 231 GLN 0.59254 0.04807 232 GLU 0.69724 0.08354 234 ILE 0.77394 0.14009 235 GLU 0.83689 0.09742 236 ILE 0.86417 0.07911 239 MET 0.69355 0.07478 240 GLU 0.51013 0.25493 241 ASP 0.2705 0.20822 stop_ save_ save_heteronuclear_noe_list_2 _Saveframe_category heteronuclear_NOE _Details . loop_ _Experiment_label '3D HNCO' stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 800 _Mol_system_component_name CsuA/B _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'peak height' _NOE_reference_value . _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 2 VAL 0.13874 0.17226 9 HIS 0.93369 0.16103 10 SER 0.8313 0.05376 14 THR 0.90744 0.22191 15 VAL 1.04462 0.23481 16 GLY 0.76826 0.23484 17 GLY 0.82242 0.17249 18 SER 0.65595 0.08697 19 GLN 0.68607 0.09292 20 THR 0.58039 0.12053 21 GLU 0.61994 0.04776 22 GLY 0.53037 0.08968 23 ASN 1.20538 0.11081 24 MET 0.53543 0.08565 25 ASN 0.60869 0.05442 26 LYS 0.62992 0.12359 27 PHE 0.49596 0.13236 28 GLY 0.6971 0.13833 29 THR 0.69898 0.16335 40 ASN 0.72179 0.06111 41 ASN 0.71669 0.09958 42 VAL 0.63153 0.04626 44 THR 0.80187 0.17726 45 ALA 0.90443 0.17808 46 GLU 0.72756 0.21872 47 VAL 0.75899 0.17585 48 ALA 0.71155 0.22825 49 SER 0.61461 0.13347 50 ALA 0.95938 0.13252 51 ALA 0.62331 0.11311 52 THR 0.57428 0.14312 53 GLY 0.62901 0.08332 54 GLY 0.69345 0.12554 55 ASN 0.72135 0.17398 57 SER 0.91227 0.20024 58 VAL 0.72784 0.1542 59 THR 0.85956 0.19778 60 CYS 0.83049 0.18061 61 ASP 0.82579 0.10602 62 GLY 0.73944 0.14148 63 THR 0.59635 0.06133 64 ASP 0.61707 0.13357 66 VAL 0.87764 0.15789 67 ASP 0.82439 0.20113 69 THR 0.89685 0.13394 70 VAL 0.87228 0.12765 71 ALA 0.91429 0.19382 72 ILE 0.95325 0.23858 73 ASP 0.89121 0.05235 74 GLY 0.88205 0.09978 75 GLY 0.91219 0.10662 76 GLU 0.86092 0.18922 77 ARG 0.82496 0.25629 78 THR 0.82867 0.2538 79 ASP 0.88933 0.20112 81 THR 0.94656 0.22372 82 LEU 0.87452 0.10756 83 LYS 0.87778 0.12379 84 ASN 0.88377 0.09082 85 THR 0.80088 0.10558 86 ALA 0.72496 0.09028 87 SER 0.56657 0.10457 88 ALA 0.79182 0.09035 89 ASP 0.57848 0.04927 90 VAL 0.9129 0.05964 91 VAL 0.86251 0.08345 92 ALA 0.86498 0.07816 96 TYR 0.92866 0.20691 97 ARG 0.81073 0.07096 98 ASP 0.8995 0.09945 99 ALA 0.87736 0.07743 100 ALA 0.82861 0.08314 103 ASN 0.92152 0.17202 104 LEU 0.88437 0.06174 105 TYR 0.87472 0.12983 106 VAL 0.90432 0.11172 107 VAL 0.90843 0.07219 108 ASN 0.88427 0.05013 109 GLN 0.78659 0.09181 111 GLN 1.1545 0.0958 112 GLN 0.88559 0.10242 113 PHE 0.89548 0.22526 114 THR 0.87007 0.07454 115 THR 0.8435 0.18453 116 VAL 0.79926 0.08624 117 SER 0.63194 0.06719 118 GLY 0.60124 0.06483 119 GLN 0.72731 0.06197 120 ALA 0.62652 0.06928 121 THR 0.78663 0.15108 122 ALA 0.8989 0.11997 123 VAL 0.85499 0.12017 125 ILE 0.82382 0.26357 126 PHE 0.952 0.14441 127 GLY 0.82217 0.26209 128 ALA 0.92586 0.13055 129 ILE 0.93466 0.11675 130 ALA 0.83501 0.07673 132 ASN 0.91043 0.1758 133 THR 0.50917 0.10748 134 GLY 0.15247 0.06912 137 LYS 0.82478 0.08519 138 ALA 0.79032 0.11518 139 GLN 0.79122 0.08892 140 GLY 0.65858 0.07749 141 ASP 0.67832 0.06408 143 LYS 0.86706 0.08969 144 ASP 0.86286 0.06783 145 THR 0.81778 0.05872 146 LEU 0.92078 0.16632 147 LEU 0.91956 0.16694 148 VAL 0.95262 0.27401 149 THR 0.8357 0.0758 stop_ save_