data_50473 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone Resonance Assignments of OmpR DNA-binding domain. ; _BMRB_accession_number 50473 _BMRB_flat_file_name bmr50473.str _Entry_type original _Submission_date 2020-09-21 _Accession_date 2020-09-21 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sadotra Sushant . . 2 Lou Yuan-Chao . . 3 Chen Chinpan . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 92 "13C chemical shifts" 262 "15N chemical shifts" 92 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-12-29 original BMRB . stop_ _Original_release_date 2020-09-21 save_ ############################# # Citation for this entry # ############################# save_citations_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural basis for promoter DNA recognition by the response regulator OmpR ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 33152421 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sadotra Sushant . . 2 Lou Yuan-Chao C. . 3 Tang Hao-Cheng C. . 4 Chiu Yi-Chih C. . 5 Hsu Chun-Hua H. . 6 Chen Chinpan . . stop_ _Journal_abbreviation 'J. Struct. Biol.' _Journal_name_full 'Journal of structural biology' _Journal_volume 213 _Journal_issue 1 _Journal_ISSN 1095-8657 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 107638 _Page_last 107638 _Year 2020 _Details . save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name OmpRc _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label OmpRc $entity_1 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_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 103 _Mol_residue_sequence ; VIAFGKFKLNLGTREMFRED EPMPLTSGEFAVLKALVSHP REPLSRDKLMNLARGREYSA MERSIDVQISRLRRMVEEDP AHPRYIQTVWGLGYVFVPDG SKA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 137 VAL 2 138 ILE 3 139 ALA 4 140 PHE 5 141 GLY 6 142 LYS 7 143 PHE 8 144 LYS 9 145 LEU 10 146 ASN 11 147 LEU 12 148 GLY 13 149 THR 14 150 ARG 15 151 GLU 16 152 MET 17 153 PHE 18 154 ARG 19 155 GLU 20 156 ASP 21 157 GLU 22 158 PRO 23 159 MET 24 160 PRO 25 161 LEU 26 162 THR 27 163 SER 28 164 GLY 29 165 GLU 30 166 PHE 31 167 ALA 32 168 VAL 33 169 LEU 34 170 LYS 35 171 ALA 36 172 LEU 37 173 VAL 38 174 SER 39 175 HIS 40 176 PRO 41 177 ARG 42 178 GLU 43 179 PRO 44 180 LEU 45 181 SER 46 182 ARG 47 183 ASP 48 184 LYS 49 185 LEU 50 186 MET 51 187 ASN 52 188 LEU 53 189 ALA 54 190 ARG 55 191 GLY 56 192 ARG 57 193 GLU 58 194 TYR 59 195 SER 60 196 ALA 61 197 MET 62 198 GLU 63 199 ARG 64 200 SER 65 201 ILE 66 202 ASP 67 203 VAL 68 204 GLN 69 205 ILE 70 206 SER 71 207 ARG 72 208 LEU 73 209 ARG 74 210 ARG 75 211 MET 76 212 VAL 77 213 GLU 78 214 GLU 79 215 ASP 80 216 PRO 81 217 ALA 82 218 HIS 83 219 PRO 84 220 ARG 85 221 TYR 86 222 ILE 87 223 GLN 88 224 THR 89 225 VAL 90 226 TRP 91 227 GLY 92 228 LEU 93 229 GLY 94 230 TYR 95 231 VAL 96 232 PHE 97 233 VAL 98 234 PRO 99 235 ASP 100 236 GLY 101 237 SER 102 238 LYS 103 239 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source_1 _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 'E. coli' 562 Bacteria . Escherichia coli stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . Escherichia coli . plasmid pET-29b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $entity_1 1.1 mM 1 1.2 '[U-100% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name TOPSPIN _Version . loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _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_HN(CA)CO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6 . pH temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 na H 1 protons ppm 0 internal direct . . . 1 '[15N] ammonium nitrate' N 15 nitrogen ppm 0 internal direct . . . 1 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_1 stop_ loop_ _Experiment_label '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' '3D HN(CA)CO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name OmpRc _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 1 137 1 VAL H H 7.979 0.040 1 2 137 1 VAL C C 175.865 0.4 1 3 137 1 VAL CA C 61.186 0.4 1 4 137 1 VAL CB C 33.981 0.4 1 5 137 1 VAL N N 119.296 0.4 1 6 138 2 ILE H H 9.105 0.040 1 7 138 2 ILE C C 173.724 0.4 1 8 138 2 ILE CA C 59.601 0.4 1 9 138 2 ILE CB C 39.726 0.4 1 10 138 2 ILE N N 127.899 0.4 1 11 139 3 ALA H H 8.783 0.040 1 12 139 3 ALA C C 176.996 0.4 1 13 139 3 ALA CA C 50.489 0.4 1 14 139 3 ALA CB C 21.832 0.4 1 15 139 3 ALA N N 129.928 0.4 1 16 140 4 PHE H H 8.007 0.040 1 17 140 4 PHE C C 173.525 0.4 1 18 140 4 PHE CA C 55.903 0.4 1 19 140 4 PHE CB C 39.264 0.4 1 20 140 4 PHE N N 118.805 0.4 1 21 141 5 GLY H H 9.354 0.040 1 22 141 5 GLY C C 176.213 0.4 1 23 141 5 GLY CA C 47.584 0.4 1 24 141 5 GLY N N 112.966 0.4 1 25 142 6 LYS H H 8.169 0.040 1 26 142 6 LYS C C 174.927 0.4 1 27 142 6 LYS CA C 55.969 0.4 1 28 142 6 LYS CB C 32.397 0.4 1 29 142 6 LYS N N 126.779 0.4 1 30 143 7 PHE H H 8.602 0.040 1 31 143 7 PHE C C 176.867 0.4 1 32 143 7 PHE CA C 57.554 0.4 1 33 143 7 PHE CB C 41.179 0.4 1 34 143 7 PHE N N 119.800 0.4 1 35 144 8 LYS H H 8.742 0.040 1 36 144 8 LYS C C 174.273 0.4 1 37 144 8 LYS CA C 55.771 0.4 1 38 144 8 LYS CB C 36.755 0.4 1 39 144 8 LYS N N 120.566 0.4 1 40 145 9 LEU H H 9.405 0.040 1 41 145 9 LEU CA C 53.394 0.4 1 42 145 9 LEU CB C 45.735 0.4 1 43 145 9 LEU N N 125.033 0.4 1 44 146 10 ASN H H 9.606 0.040 1 45 146 10 ASN C C 175.956 0.4 1 46 146 10 ASN CA C 52.248 0.4 1 47 146 10 ASN CB C 39.252 0.4 1 48 146 10 ASN N N 126.555 0.4 1 49 147 11 LEU H H 8.738 0.040 1 50 147 11 LEU C C 177.931 0.4 1 51 147 11 LEU CA C 57.554 0.4 1 52 147 11 LEU CB C 41.575 0.4 1 53 147 11 LEU N N 124.057 0.4 1 54 148 12 GLY H H 8.438 0.040 1 55 148 12 GLY C C 175.477 0.4 1 56 148 12 GLY CA C 46.395 0.4 1 57 148 12 GLY N N 105.401 0.4 1 58 149 13 THR H H 7.485 0.040 1 59 149 13 THR C C 175.360 0.4 1 60 149 13 THR CA C 61.516 0.4 1 61 149 13 THR CB C 69.241 0.4 1 62 149 13 THR N N 109.927 0.4 1 63 150 14 ARG H H 7.680 0.040 1 64 150 14 ARG C C 174.121 0.4 1 65 150 14 ARG CA C 57.158 0.4 1 66 150 14 ARG CB C 26.322 0.4 1 67 150 14 ARG N N 115.857 0.4 1 68 151 15 GLU H H 7.374 0.040 1 69 151 15 GLU C C 173.829 0.4 1 70 151 15 GLU CA C 55.441 0.4 1 71 151 15 GLU CB C 34.774 0.4 1 72 151 15 GLU N N 116.309 0.4 1 73 153 17 PHE H H 9.106 0.040 1 74 153 17 PHE C C 174.752 0.4 1 75 153 17 PHE CA C 56.366 0.4 1 76 153 17 PHE CB C 43.820 0.4 1 77 153 17 PHE N N 123.329 0.4 1 78 154 18 ARG H H 9.163 0.040 1 79 154 18 ARG C C 176.236 0.4 1 80 154 18 ARG CA C 55.045 0.4 1 81 154 18 ARG CB C 31.340 0.4 1 82 154 18 ARG N N 123.048 0.4 1 83 155 19 GLU H H 8.946 0.040 1 84 155 19 GLU C C 174.927 0.4 1 85 155 19 GLU CA C 59.205 0.4 1 86 155 19 GLU CB C 27.378 0.4 1 87 155 19 GLU N N 126.607 0.4 1 88 156 20 ASP H H 8.160 0.040 1 89 156 20 ASP C C 178.971 0.4 1 90 156 20 ASP CA C 57.224 0.4 1 91 156 20 ASP CB C 45.248 0.4 1 92 156 20 ASP N N 125.299 0.4 1 93 157 21 GLU H H 8.444 0.040 1 94 157 21 GLU C C 174.179 0.4 1 95 157 21 GLU CA C 53.592 0.4 1 96 157 21 GLU CB C 31.208 0.4 1 97 157 21 GLU N N 123.449 0.4 1 98 159 23 MET H H 8.151 0.040 1 99 159 23 MET C C 176.178 0.4 1 100 159 23 MET CA C 56.167 0.4 1 101 159 23 MET CB C 30.944 0.4 1 102 159 23 MET N N 119.169 0.4 1 103 161 25 LEU H H 8.173 0.040 1 104 161 25 LEU C C 178.176 0.4 1 105 161 25 LEU CA C 53.658 0.4 1 106 161 25 LEU CB C 46.197 0.4 1 107 161 25 LEU N N 123.034 0.4 1 108 162 26 THR H H 9.187 0.040 1 109 162 26 THR C C 175.652 0.4 1 110 162 26 THR CA C 61.054 0.4 1 111 162 26 THR CB C 70.760 0.4 1 112 162 26 THR N N 115.294 0.4 1 113 163 27 SER H H 9.091 0.040 1 114 163 27 SER C C 175.656 0.4 1 115 163 27 SER CA C 61.991 0.4 1 116 163 27 SER CB C 62.848 0.4 1 117 163 27 SER N N 116.411 0.4 1 118 164 28 GLY H H 8.639 0.040 1 119 164 28 GLY C C 175.594 0.4 1 120 164 28 GLY CA C 46.989 0.4 1 121 164 28 GLY N N 110.779 0.4 1 122 165 29 GLU H H 7.635 0.040 1 123 165 29 GLU C C 178.586 0.4 1 124 165 29 GLU CA C 59.403 0.4 1 125 165 29 GLU CB C 30.284 0.4 1 126 165 29 GLU N N 121.940 0.4 1 127 166 30 PHE H H 8.696 0.040 1 128 166 30 PHE C C 175.734 0.4 1 129 166 30 PHE CA C 62.308 0.4 1 130 166 30 PHE CB C 38.670 0.4 1 131 166 30 PHE N N 117.109 0.4 1 132 167 31 ALA H H 8.090 0.040 1 133 167 31 ALA C C 180.689 0.4 1 134 167 31 ALA CA C 55.441 0.4 1 135 167 31 ALA CB C 18.663 0.4 1 136 167 31 ALA N N 119.804 0.4 1 137 168 32 VAL H H 7.494 0.040 1 138 168 32 VAL C C 176.412 0.4 1 139 168 32 VAL CA C 66.534 0.4 1 140 168 32 VAL CB C 31.736 0.4 1 141 168 32 VAL N N 117.316 0.4 1 142 169 33 LEU H H 8.145 0.040 1 143 169 33 LEU C C 177.253 0.4 1 144 169 33 LEU CA C 52.998 0.4 1 145 169 33 LEU CB C 41.352 0.4 1 146 169 33 LEU N N 120.624 0.4 1 147 170 34 LYS H H 8.924 0.040 1 148 170 34 LYS C C 178.574 0.4 1 149 170 34 LYS CA C 59.296 0.4 1 150 170 34 LYS CB C 31.010 0.4 1 151 170 34 LYS N N 117.427 0.4 1 152 171 35 ALA H H 7.250 0.040 1 153 171 35 ALA C C 178.714 0.4 1 154 171 35 ALA CA C 55.507 0.4 1 155 171 35 ALA CB C 18.795 0.4 1 156 171 35 ALA N N 122.320 0.4 1 157 172 36 LEU H H 7.522 0.040 1 158 172 36 LEU C C 179.135 0.4 1 159 172 36 LEU CA C 58.412 0.4 1 160 172 36 LEU CB C 42.433 0.4 1 161 172 36 LEU N N 117.057 0.4 1 162 173 37 VAL H H 8.351 0.040 1 163 173 37 VAL C C 176.891 0.4 1 164 173 37 VAL CA C 63.101 0.4 1 165 173 37 VAL CB C 30.482 0.4 1 166 173 37 VAL N N 110.687 0.4 1 167 174 38 SER H H 7.438 0.040 1 168 174 38 SER C C 173.139 0.4 1 169 174 38 SER CA C 59.073 0.4 1 170 174 38 SER CB C 63.695 0.4 1 171 174 38 SER N N 111.815 0.4 1 172 175 39 HIS H H 7.578 0.040 1 173 175 39 HIS C C 171.748 0.4 1 174 175 39 HIS CA C 54.517 0.4 1 175 175 39 HIS CB C 29.029 0.4 1 176 175 39 HIS N N 120.444 0.4 1 177 177 41 ARG H H 9.510 0.040 1 178 177 41 ARG C C 173.759 0.4 1 179 177 41 ARG CA C 58.809 0.4 1 180 177 41 ARG CB C 27.775 0.4 1 181 177 41 ARG N N 113.531 0.4 1 182 178 42 GLU H H 7.850 0.040 1 183 178 42 GLU C C 172.602 0.4 1 184 178 42 GLU CA C 52.734 0.4 1 185 178 42 GLU CB C 31.604 0.4 1 186 178 42 GLU N N 122.428 0.4 1 187 180 44 LEU H H 9.332 0.040 1 188 180 44 LEU CA C 53.130 0.4 1 189 180 44 LEU CB C 44.876 0.4 1 190 180 44 LEU N N 126.296 0.4 1 191 181 45 SER H H 8.208 0.040 1 192 181 45 SER C C 174.624 0.4 1 193 181 45 SER CA C 57.026 0.4 1 194 181 45 SER CB C 64.685 0.4 1 195 181 45 SER N N 117.940 0.4 1 196 182 46 ARG H H 8.713 0.040 1 197 182 46 ARG C C 177.697 0.4 1 198 182 46 ARG CA C 61.120 0.4 1 199 182 46 ARG CB C 30.020 0.4 1 200 182 46 ARG N N 119.993 0.4 1 201 183 47 ASP H H 8.364 0.040 1 202 183 47 ASP C C 178.130 0.4 1 203 183 47 ASP CA C 57.356 0.4 1 204 183 47 ASP CB C 40.783 0.4 1 205 183 47 ASP N N 116.303 0.4 1 206 184 48 LYS H H 7.914 0.040 1 207 184 48 LYS C C 179.018 0.4 1 208 184 48 LYS CA C 59.139 0.4 1 209 184 48 LYS CB C 32.199 0.4 1 210 184 48 LYS N N 122.043 0.4 1 211 185 49 LEU H H 8.567 0.040 1 212 185 49 LEU C C 178.095 0.4 1 213 185 49 LEU CA C 58.280 0.4 1 214 185 49 LEU CB C 42.103 0.4 1 215 185 49 LEU N N 119.004 0.4 1 216 186 50 MET H H 8.219 0.040 1 217 186 50 MET C C 177.662 0.4 1 218 186 50 MET CA C 59.337 0.4 1 219 186 50 MET CB C 32.925 0.4 1 220 186 50 MET N N 116.716 0.4 1 221 187 51 ASN H H 7.759 0.040 1 222 187 51 ASN C C 177.887 0.4 1 223 187 51 ASN CA C 56.300 0.4 1 224 187 51 ASN CB C 38.895 0.4 1 225 187 51 ASN N N 116.805 0.4 1 226 188 52 LEU H H 8.329 0.040 1 227 188 52 LEU C C 178.457 0.4 1 228 188 52 LEU CA C 56.818 0.4 1 229 188 52 LEU CB C 42.834 0.4 1 230 188 52 LEU N N 119.475 0.4 1 231 189 53 ALA H H 8.272 0.040 1 232 189 53 ALA C C 176.131 0.4 1 233 189 53 ALA CA C 55.177 0.4 1 234 189 53 ALA CB C 19.071 0.4 1 235 189 53 ALA N N 121.243 0.4 1 236 190 54 ARG H H 8.056 0.040 1 237 190 54 ARG C C 176.786 0.4 1 238 190 54 ARG CA C 55.639 0.4 1 239 190 54 ARG CB C 32.793 0.4 1 240 190 54 ARG N N 116.821 0.4 1 241 191 55 GLY H H 8.297 0.040 1 242 191 55 GLY C C 174.051 0.4 1 243 191 55 GLY CA C 45.471 0.4 1 244 191 55 GLY N N 110.049 0.4 1 245 193 57 GLU H H 8.458 0.040 1 246 193 57 GLU C C 176.131 0.4 1 247 193 57 GLU CA C 56.767 0.4 1 248 193 57 GLU CB C 29.843 0.4 1 249 193 57 GLU N N 117.748 0.4 1 250 194 58 TYR H H 7.973 0.040 1 251 194 58 TYR C C 175.430 0.4 1 252 194 58 TYR CA C 57.818 0.4 1 253 194 58 TYR CB C 38.538 0.4 1 254 194 58 TYR N N 121.271 0.4 1 255 195 59 SER H H 8.374 0.040 1 256 195 59 SER CA C 58.257 0.4 1 257 195 59 SER CB C 64.057 0.4 1 258 195 59 SER N N 118.610 0.4 1 259 197 61 MET H H 8.656 0.040 1 260 197 61 MET C C 175.560 0.4 1 261 197 61 MET CA C 60.988 0.4 1 262 197 61 MET CB C 34.180 0.4 1 263 197 61 MET N N 120.410 0.4 1 264 199 63 ARG H H 8.336 0.040 1 265 199 63 ARG C C 174.775 0.4 1 266 199 63 ARG CA C 56.828 0.4 1 267 199 63 ARG CB C 30.300 0.4 1 268 199 63 ARG N N 119.948 0.4 1 269 200 64 SER H H 8.236 0.040 1 270 200 64 SER CA C 58.148 0.4 1 271 200 64 SER CB C 64.223 0.4 1 272 200 64 SER N N 115.765 0.4 1 273 201 65 ILE H H 8.574 0.040 1 274 201 65 ILE C C 176.739 0.4 1 275 201 65 ILE CA C 61.846 0.4 1 276 201 65 ILE CB C 36.821 0.4 1 277 201 65 ILE N N 122.658 0.4 1 278 202 66 ASP H H 8.086 0.040 1 279 202 66 ASP C C 179.100 0.4 1 280 202 66 ASP N N 118.795 0.4 1 281 203 67 VAL H H 7.549 0.040 1 282 203 67 VAL C C 178.550 0.4 1 283 203 67 VAL CA C 66.072 0.4 1 284 203 67 VAL CB C 31.472 0.4 1 285 203 67 VAL N N 121.551 0.4 1 286 204 68 GLN H H 8.037 0.040 1 287 204 68 GLN C C 178.819 0.4 1 288 204 68 GLN CA C 58.743 0.4 1 289 204 68 GLN CB C 28.237 0.4 1 290 204 68 GLN N N 119.321 0.4 1 291 205 69 ILE H H 8.318 0.040 1 292 205 69 ILE C C 177.861 0.4 1 293 205 69 ILE CA C 62.704 0.4 1 294 205 69 ILE CB C 34.774 0.4 1 295 205 69 ILE N N 118.064 0.4 1 296 206 70 SER H H 7.856 0.040 1 297 206 70 SER C C 177.931 0.4 1 298 206 70 SER CA C 53.460 0.4 1 299 206 70 SER CB C 63.427 0.4 1 300 206 70 SER N N 116.289 0.4 1 301 207 71 ARG H H 8.092 0.040 1 302 207 71 ARG C C 179.474 0.4 1 303 207 71 ARG CA C 59.667 0.4 1 304 207 71 ARG CB C 29.888 0.4 1 305 207 71 ARG N N 122.302 0.4 1 306 208 72 LEU H H 8.481 0.040 1 307 208 72 LEU C C 179.579 0.4 1 308 208 72 LEU CA C 57.818 0.4 1 309 208 72 LEU CB C 42.829 0.4 1 310 208 72 LEU N N 119.678 0.4 1 311 209 73 ARG H H 8.897 0.040 1 312 209 73 ARG C C 178.025 0.4 1 313 209 73 ARG CA C 59.931 0.4 1 314 209 73 ARG CB C 31.010 0.4 1 315 209 73 ARG N N 117.713 0.4 1 316 210 74 ARG H H 7.749 0.040 1 317 210 74 ARG C C 178.023 0.4 1 318 210 74 ARG CA C 59.070 0.4 1 319 210 74 ARG CB C 29.604 0.4 1 320 210 74 ARG N N 117.302 0.4 1 321 211 75 MET H H 7.476 0.040 1 322 211 75 MET C C 177.686 0.4 1 323 211 75 MET CA C 58.850 0.4 1 324 211 75 MET CB C 34.906 0.4 1 325 211 75 MET N N 116.265 0.4 1 326 212 76 VAL H H 7.801 0.040 1 327 212 76 VAL C C 175.789 0.4 1 328 212 76 VAL CA C 61.120 0.4 1 329 212 76 VAL CB C 33.099 0.4 1 330 212 76 VAL N N 107.922 0.4 1 331 213 77 GLU H H 8.254 0.040 1 332 213 77 GLU C C 177.697 0.4 1 333 213 77 GLU CA C 54.319 0.4 1 334 213 77 GLU CB C 29.029 0.4 1 335 213 77 GLU N N 116.894 0.4 1 336 214 78 GLU H H 9.209 0.040 1 337 214 78 GLU C C 177.300 0.4 1 338 214 78 GLU CA C 59.073 0.4 1 339 214 78 GLU CB C 29.375 0.4 1 340 214 78 GLU N N 124.181 0.4 1 341 215 79 ASP H H 8.426 0.040 1 342 215 79 ASP C C 175.126 0.4 1 343 215 79 ASP CA C 50.027 0.4 1 344 215 79 ASP CB C 42.037 0.4 1 345 215 79 ASP N N 114.513 0.4 1 346 217 81 ALA H H 7.604 0.040 1 347 217 81 ALA C C 177.686 0.4 1 348 217 81 ALA CA C 52.734 0.4 1 349 217 81 ALA CB C 18.729 0.4 1 350 217 81 ALA N N 116.051 0.4 1 351 218 82 HIS H H 7.769 0.040 1 352 218 82 HIS C C 171.398 0.4 1 353 218 82 HIS CA C 53.592 0.4 1 354 218 82 HIS CB C 28.963 0.4 1 355 218 82 HIS N N 116.030 0.4 1 356 220 84 ARG H H 9.841 0.040 1 357 220 84 ARG C C 176.517 0.4 1 358 220 84 ARG CA C 56.516 0.4 1 359 220 84 ARG CB C 33.266 0.4 1 360 220 84 ARG N N 120.308 0.4 1 361 221 85 TYR H H 10.170 0.040 1 362 221 85 TYR C C 176.318 0.4 1 363 221 85 TYR CA C 60.477 0.4 1 364 221 85 TYR CB C 38.820 0.4 1 365 221 85 TYR N N 123.329 0.4 1 366 222 86 ILE H H 9.152 0.040 1 367 222 86 ILE C C 176.540 0.4 1 368 222 86 ILE CA C 59.742 0.4 1 369 222 86 ILE CB C 37.217 0.4 1 370 222 86 ILE N N 118.860 0.4 1 371 223 87 GLN H H 9.062 0.040 1 372 223 87 GLN C C 175.699 0.4 1 373 223 87 GLN CA C 55.639 0.4 1 374 223 87 GLN CB C 30.086 0.4 1 375 223 87 GLN N N 125.685 0.4 1 376 224 88 THR H H 9.245 0.040 1 377 224 88 THR C C 173.782 0.4 1 378 224 88 THR CA C 63.101 0.4 1 379 224 88 THR CB C 69.902 0.4 1 380 224 88 THR N N 119.801 0.4 1 381 225 89 VAL H H 8.377 0.040 1 382 225 89 VAL C C 175.336 0.4 1 383 225 89 VAL CA C 61.054 0.4 1 384 225 89 VAL CB C 31.208 0.4 1 385 225 89 VAL N N 128.418 0.4 1 386 226 90 TRP H H 8.625 0.040 1 387 226 90 TRP C C 177.171 0.4 1 388 226 90 TRP CA C 59.799 0.4 1 389 226 90 TRP CB C 28.369 0.4 1 390 226 90 TRP N N 129.930 0.4 1 391 227 91 GLY H H 8.574 0.040 1 392 227 91 GLY CA C 45.405 0.4 1 393 227 91 GLY N N 114.358 0.4 1 394 228 92 LEU H H 7.985 0.040 1 395 228 92 LEU C C 176.388 0.4 1 396 228 92 LEU CA C 56.101 0.4 1 397 228 92 LEU CB C 45.735 0.4 1 398 228 92 LEU N N 119.988 0.4 1 399 229 93 GLY H H 7.932 0.040 1 400 229 93 GLY C C 171.912 0.4 1 401 229 93 GLY CA C 45.999 0.4 1 402 229 93 GLY N N 105.793 0.4 1 403 230 94 TYR H H 8.571 0.040 1 404 230 94 TYR C C 172.625 0.4 1 405 230 94 TYR CA C 56.960 0.4 1 406 230 94 TYR CB C 43.556 0.4 1 407 230 94 TYR N N 123.552 0.4 1 408 231 95 VAL H H 9.027 0.040 1 409 231 95 VAL C C 171.316 0.4 1 410 231 95 VAL CA C 59.205 0.4 1 411 231 95 VAL CB C 36.293 0.4 1 412 231 95 VAL N N 118.235 0.4 1 413 232 96 PHE H H 9.471 0.040 1 414 232 96 PHE C C 174.355 0.4 1 415 232 96 PHE CA C 55.045 0.4 1 416 232 96 PHE CB C 41.377 0.4 1 417 232 96 PHE N N 128.672 0.4 1 418 233 97 VAL H H 8.939 0.040 1 419 233 97 VAL C C 174.518 0.4 1 420 233 97 VAL CA C 59.271 0.4 1 421 233 97 VAL CB C 32.133 0.4 1 422 233 97 VAL N N 131.154 0.4 1 423 235 99 ASP H H 7.797 0.040 1 424 235 99 ASP C C 177.767 0.4 1 425 235 99 ASP CA C 53.460 0.4 1 426 235 99 ASP CB C 41.047 0.4 1 427 235 99 ASP N N 113.319 0.4 1 428 236 100 GLY H H 8.297 0.040 1 429 236 100 GLY C C 173.712 0.4 1 430 236 100 GLY CA C 45.933 0.4 1 431 236 100 GLY N N 108.923 0.4 1 432 237 101 SER H H 7.694 0.040 1 433 237 101 SER C C 173.782 0.4 1 434 237 101 SER CA C 58.479 0.4 1 435 237 101 SER CB C 64.091 0.4 1 436 237 101 SER N N 114.925 0.4 1 437 238 102 LYS H H 8.347 0.040 1 438 238 102 LYS C C 176.482 0.4 1 439 238 102 LYS CA C 56.366 0.4 1 440 238 102 LYS CB C 33.057 0.4 1 441 238 102 LYS N N 122.263 0.4 1 442 239 103 ALA H H 8.413 0.040 1 443 239 103 ALA C C 177.592 0.4 1 444 239 103 ALA CA C 52.668 0.4 1 445 239 103 ALA CB C 18.993 0.4 1 446 239 103 ALA N N 125.971 0.4 1 stop_ save_