data_26863 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; ScribPDZ4apo ; _BMRB_accession_number 26863 _BMRB_flat_file_name bmr26863.str _Entry_type original _Submission_date 2016-07-30 _Accession_date 2016-07-30 _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 Umitsu Masataka . . 2 Ikura Mitsuhiko . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 82 "13C chemical shifts" 176 "15N chemical shifts" 82 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-01-06 update BMRB 'update entry citation' 2016-08-23 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 26864 ScribPDZ4withp22phoxC10 stop_ _Original_release_date 2016-08-23 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; An interaction between Scribble and the NADPH oxidase complex controls M1 macrophage polarization and function ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27694890 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zheng Weiyue . . 2 Umitsu Masataka . . 3 Jagan Ishaan . . 4 Tran Charles W. . 5 Ishiyama Noboru . . 6 BeGora Michael . . 7 Araki Kiyomi . . 8 Ohashi Pamela S. . 9 Ikura Mitsuhiko . . 10 Muthuswamy Senthil K. . stop_ _Journal_abbreviation 'Nat. Cell. Biol.' _Journal_name_full 'Nature Cell Biolgy' _Journal_volume 18 _Journal_issue 11 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1244 _Page_last 1252 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name ScribPDZ4apo _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label ScribPDZ4apo $ScribPDZ4apo 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_ScribPDZ4apo _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ScribPDZ4apo _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 102 _Mol_residue_sequence ; GSHMPGLRELCIQKAPGERL GISIRGGARGHAGNPRDPTD EGIFISKVSPTGAAGRDGRL RVGLRLLEVNQQSLLGLTHG EAVQLLRSVGDTLTVLVCDG FE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -3 GLY 2 -2 SER 3 -1 HIS 4 0 MET 5 1096 PRO 6 1097 GLY 7 1098 LEU 8 1099 ARG 9 1100 GLU 10 1101 LEU 11 1102 CYS 12 1103 ILE 13 1104 GLN 14 1105 LYS 15 1106 ALA 16 1107 PRO 17 1108 GLY 18 1109 GLU 19 1110 ARG 20 1111 LEU 21 1112 GLY 22 1113 ILE 23 1114 SER 24 1115 ILE 25 1116 ARG 26 1117 GLY 27 1118 GLY 28 1119 ALA 29 1120 ARG 30 1121 GLY 31 1122 HIS 32 1123 ALA 33 1124 GLY 34 1125 ASN 35 1126 PRO 36 1127 ARG 37 1128 ASP 38 1129 PRO 39 1130 THR 40 1131 ASP 41 1132 GLU 42 1133 GLY 43 1134 ILE 44 1135 PHE 45 1136 ILE 46 1137 SER 47 1138 LYS 48 1139 VAL 49 1140 SER 50 1141 PRO 51 1142 THR 52 1143 GLY 53 1144 ALA 54 1145 ALA 55 1146 GLY 56 1147 ARG 57 1148 ASP 58 1149 GLY 59 1150 ARG 60 1151 LEU 61 1152 ARG 62 1153 VAL 63 1154 GLY 64 1155 LEU 65 1156 ARG 66 1157 LEU 67 1158 LEU 68 1159 GLU 69 1160 VAL 70 1161 ASN 71 1162 GLN 72 1163 GLN 73 1164 SER 74 1165 LEU 75 1166 LEU 76 1167 GLY 77 1168 LEU 78 1169 THR 79 1170 HIS 80 1171 GLY 81 1172 GLU 82 1173 ALA 83 1174 VAL 84 1175 GLN 85 1176 LEU 86 1177 LEU 87 1178 ARG 88 1179 SER 89 1180 VAL 90 1181 GLY 91 1182 ASP 92 1183 THR 93 1184 LEU 94 1185 THR 95 1186 VAL 96 1187 LEU 97 1188 VAL 98 1189 CYS 99 1190 ASP 100 1191 GLY 101 1192 PHE 102 1193 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $ScribPDZ4apo Human 9606 Eukaryota Metazoa Homo sapiens 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 $ScribPDZ4apo 'recombinant technology' . Escherichia coli . pET28a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1_15N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ScribPDZ4apo 0.2 mM '[U-100% 15N]' NaCl 100 mM 'natural abundance' stop_ save_ save_sample_2_15N13C _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ScribPDZ4apo 0.1 mM '[U-100% 13C; U-100% 15N]' NaCl 100 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' '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_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'For titration experiment and 1H-15N assignment based on the previously deposited data.' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details 'For Ca/Cb CS assignment.' 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_15N save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2_15N13C save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2_15N13C save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2_15N13C save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 . M pH 6 . 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 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' stop_ loop_ _Sample_label $sample_1_15N $sample_2_15N13C stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name ScribPDZ4apo _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 1096 5 PRO CA C 63.18 0.3 1 2 1096 5 PRO CB C 31.64 0.3 1 3 1097 6 GLY H H 8.81 . 1 4 1097 6 GLY CA C 46.13 0.3 1 5 1097 6 GLY N N 111.23 . 1 6 1098 7 LEU H H 7.46 . 1 7 1098 7 LEU CA C 55.49 0.3 1 8 1098 7 LEU CB C 42.89 0.3 1 9 1098 7 LEU N N 122.27 . 1 10 1099 8 ARG H H 8.93 . 1 11 1099 8 ARG CA C 55.46 0.3 1 12 1099 8 ARG CB C 33.48 0.3 1 13 1099 8 ARG N N 123.32 . 1 14 1100 9 GLU H H 8.60 . 1 15 1100 9 GLU CA C 54.54 0.3 1 16 1100 9 GLU CB C 32.66 0.3 1 17 1100 9 GLU N N 123.99 . 1 18 1101 10 LEU H H 9.13 . 1 19 1101 10 LEU CA C 54.36 0.3 1 20 1101 10 LEU CB C 44.89 0.3 1 21 1101 10 LEU N N 125.99 . 1 22 1102 11 CYS CA C 57.90 0.3 1 23 1102 11 CYS CB C 27.69 0.3 1 24 1103 12 ILE H H 9.38 . 1 25 1103 12 ILE CA C 59.82 0.3 1 26 1103 12 ILE CB C 40.52 0.3 1 27 1103 12 ILE N N 130.33 . 1 28 1104 13 GLN H H 8.68 . 1 29 1104 13 GLN CA C 54.90 0.3 1 30 1104 13 GLN CB C 30.03 0.3 1 31 1104 13 GLN N N 126.65 . 1 32 1105 14 LYS H H 8.72 . 1 33 1105 14 LYS CA C 55.00 0.3 1 34 1105 14 LYS CB C 35.03 0.3 1 35 1105 14 LYS N N 123.68 . 1 36 1106 15 ALA H H 9.13 . 1 37 1106 15 ALA CA C 50.27 0.3 1 38 1106 15 ALA CB C 17.19 0.3 1 39 1106 15 ALA N N 128.25 . 1 40 1107 16 PRO CA C 64.54 0.3 1 41 1107 16 PRO CB C 31.22 0.3 1 42 1108 17 GLY H H 8.77 . 1 43 1108 17 GLY CA C 45.66 0.3 1 44 1108 17 GLY N N 111.86 . 1 45 1109 18 GLU H H 7.98 . 1 46 1109 18 GLU CA C 55.64 0.3 1 47 1109 18 GLU CB C 32.21 0.3 1 48 1109 18 GLU N N 122.47 . 1 49 1110 19 ARG H H 8.70 . 1 50 1110 19 ARG CA C 55.24 0.3 1 51 1110 19 ARG CB C 30.94 0.3 1 52 1110 19 ARG N N 123.47 . 1 53 1111 20 LEU H H 9.14 . 1 54 1111 20 LEU CA C 58.20 0.3 1 55 1111 20 LEU CB C 41.75 0.3 1 56 1111 20 LEU N N 123.27 . 1 57 1112 21 GLY H H 8.71 . 1 58 1112 21 GLY CA C 47.32 0.3 1 59 1112 21 GLY N N 104.19 . 1 60 1113 22 ILE H H 7.67 . 1 61 1113 22 ILE CA C 59.79 0.3 1 62 1113 22 ILE CB C 41.44 0.3 1 63 1113 22 ILE N N 115.26 . 1 64 1114 23 SER H H 8.68 . 1 65 1114 23 SER CA C 57.59 0.3 1 66 1114 23 SER CB C 63.95 0.3 1 67 1114 23 SER N N 120.94 . 1 68 1115 24 ILE H H 8.97 . 1 69 1115 24 ILE CA C 59.06 0.3 1 70 1115 24 ILE CB C 42.97 0.3 1 71 1115 24 ILE N N 117.25 . 1 72 1116 25 ARG H H 9.38 . 1 73 1116 25 ARG CA C 54.17 0.3 1 74 1116 25 ARG CB C 33.98 0.3 1 75 1116 25 ARG N N 119.75 . 1 76 1117 26 GLY H H 8.76 . 1 77 1117 26 GLY CA C 44.20 0.3 1 78 1117 26 GLY N N 109.75 . 1 79 1118 27 GLY H H 7.39 . 1 80 1118 27 GLY CA C 44.09 0.3 1 81 1118 27 GLY N N 106.82 . 1 82 1119 28 ALA CA C 52.81 0.3 1 83 1119 28 ALA CB C 19.49 0.3 1 84 1120 29 ARG H H 8.84 . 1 85 1120 29 ARG CA C 56.80 0.3 1 86 1120 29 ARG CB C 30.03 0.3 1 87 1120 29 ARG N N 119.59 . 1 88 1121 30 GLY H H 8.19 . 1 89 1121 30 GLY CA C 45.26 0.3 1 90 1121 30 GLY N N 107.92 . 1 91 1122 31 HIS CA C 55.36 0.3 1 92 1122 31 HIS CB C 29.15 0.3 1 93 1123 32 ALA H H 8.44 . 1 94 1123 32 ALA CA C 52.94 0.3 1 95 1123 32 ALA CB C 19.11 0.3 1 96 1123 32 ALA N N 124.67 . 1 97 1124 33 GLY H H 8.72 . 1 98 1124 33 GLY CA C 45.63 0.3 1 99 1124 33 GLY N N 109.49 . 1 100 1125 34 ASN H H 8.47 . 1 101 1125 34 ASN CA C 50.33 0.3 1 102 1125 34 ASN CB C 38.84 0.3 1 103 1125 34 ASN N N 119.33 . 1 104 1126 35 PRO CA C 63.76 0.3 1 105 1126 35 PRO CB C 31.91 0.3 1 106 1127 36 ARG H H 8.08 . 1 107 1127 36 ARG CA C 56.07 0.3 1 108 1127 36 ARG CB C 30.79 0.3 1 109 1127 36 ARG N N 117.43 . 1 110 1128 37 ASP H H 7.76 . 1 111 1128 37 ASP CA C 51.76 0.3 1 112 1128 37 ASP CB C 41.10 0.3 1 113 1128 37 ASP N N 119.28 . 1 114 1129 38 PRO CA C 63.70 0.3 1 115 1129 38 PRO CB C 31.97 0.3 1 116 1130 39 THR H H 8.28 . 1 117 1130 39 THR CA C 62.43 0.3 1 118 1130 39 THR CB C 69.55 0.3 1 119 1130 39 THR N N 112.02 . 1 120 1131 40 ASP H H 7.91 . 1 121 1131 40 ASP CA C 54.38 0.3 1 122 1131 40 ASP CB C 41.78 0.3 1 123 1131 40 ASP N N 122.65 . 1 124 1132 41 GLU H H 8.57 . 1 125 1132 41 GLU CA C 56.50 0.3 1 126 1132 41 GLU CB C 30.05 0.3 1 127 1132 41 GLU N N 124.32 . 1 128 1133 42 GLY H H 8.64 . 1 129 1133 42 GLY CA C 44.90 0.3 1 130 1133 42 GLY N N 107.85 . 1 131 1134 43 ILE H H 8.36 . 1 132 1134 43 ILE CA C 59.32 0.3 1 133 1134 43 ILE CB C 37.89 0.3 1 134 1134 43 ILE N N 119.38 . 1 135 1135 44 PHE H H 8.84 . 1 136 1135 44 PHE CA C 55.01 0.3 1 137 1135 44 PHE CB C 43.34 0.3 1 138 1135 44 PHE N N 123.33 . 1 139 1136 45 ILE H H 8.92 . 1 140 1136 45 ILE CA C 62.49 0.3 1 141 1136 45 ILE CB C 37.28 0.3 1 142 1136 45 ILE N N 120.25 . 1 143 1137 46 SER H H 9.67 . 1 144 1137 46 SER CA C 58.44 0.3 1 145 1137 46 SER CB C 64.93 0.3 1 146 1137 46 SER N N 126.60 . 1 147 1138 47 LYS H H 7.27 . 1 148 1138 47 LYS CA C 57.24 0.3 1 149 1138 47 LYS CB C 36.58 0.3 1 150 1138 47 LYS N N 123.45 . 1 151 1139 48 VAL H H 8.64 . 1 152 1139 48 VAL CA C 61.01 0.3 1 153 1139 48 VAL CB C 33.93 0.3 1 154 1139 48 VAL N N 124.10 . 1 155 1140 49 SER H H 8.74 . 1 156 1140 49 SER CA C 56.20 0.3 1 157 1140 49 SER CB C 63.32 0.3 1 158 1140 49 SER N N 123.35 . 1 159 1141 50 PRO CA C 64.79 0.3 1 160 1141 50 PRO CB C 32.16 0.3 1 161 1142 51 THR H H 7.49 . 1 162 1142 51 THR CA C 60.88 0.3 1 163 1142 51 THR CB C 69.18 0.3 1 164 1142 51 THR N N 103.82 . 1 165 1143 52 GLY H H 7.18 . 1 166 1143 52 GLY CA C 44.60 0.3 1 167 1143 52 GLY N N 109.65 . 1 168 1144 53 ALA H H 8.83 . 1 169 1144 53 ALA CA C 55.26 0.3 1 170 1144 53 ALA CB C 19.88 0.3 1 171 1144 53 ALA N N 120.35 . 1 172 1145 54 ALA H H 8.50 . 1 173 1145 54 ALA CA C 55.07 0.3 1 174 1145 54 ALA CB C 19.67 0.3 1 175 1145 54 ALA N N 117.83 . 1 176 1146 55 GLY H H 9.24 . 1 177 1146 55 GLY CA C 46.71 0.3 1 178 1146 55 GLY N N 112.83 . 1 179 1147 56 ARG H H 8.13 . 1 180 1147 56 ARG CA C 59.17 0.3 1 181 1147 56 ARG CB C 30.03 0.3 1 182 1147 56 ARG N N 121.87 . 1 183 1148 57 ASP H H 7.76 . 1 184 1148 57 ASP CA C 57.32 0.3 1 185 1148 57 ASP CB C 43.52 0.3 1 186 1148 57 ASP N N 118.75 . 1 187 1149 58 GLY H H 7.59 . 1 188 1149 58 GLY CA C 46.47 0.3 1 189 1149 58 GLY N N 102.72 . 1 190 1150 59 ARG H H 7.99 . 1 191 1150 59 ARG CA C 58.24 0.3 1 192 1150 59 ARG CB C 32.27 0.3 1 193 1150 59 ARG N N 119.22 . 1 194 1151 60 LEU H H 9.13 . 1 195 1151 60 LEU CA C 54.79 0.3 1 196 1151 60 LEU CB C 42.66 0.3 1 197 1151 60 LEU N N 119.47 . 1 198 1152 61 ARG H H 6.34 . 1 199 1152 61 ARG CA C 53.54 0.3 1 200 1152 61 ARG CB C 33.37 0.3 1 201 1152 61 ARG N N 115.19 . 1 202 1153 62 VAL CA C 64.66 0.3 1 203 1153 62 VAL CB C 31.82 0.3 1 204 1154 63 GLY H H 8.98 . 1 205 1154 63 GLY CA C 44.43 0.3 1 206 1154 63 GLY N N 114.69 . 1 207 1155 64 LEU H H 6.99 . 1 208 1155 64 LEU CA C 55.42 0.3 1 209 1155 64 LEU CB C 42.55 0.3 1 210 1155 64 LEU N N 116.51 . 1 211 1156 65 ARG CA C 55.31 0.3 1 212 1156 65 ARG CB C 31.95 0.3 1 213 1157 66 LEU H H 8.52 . 1 214 1157 66 LEU CA C 53.82 0.3 1 215 1157 66 LEU CB C 44.03 0.3 1 216 1157 66 LEU N N 126.60 . 1 217 1158 67 LEU H H 8.86 . 1 218 1158 67 LEU CA C 55.99 0.3 1 219 1158 67 LEU CB C 44.21 0.3 1 220 1158 67 LEU N N 122.92 . 1 221 1159 68 GLU H H 7.55 . 1 222 1159 68 GLU CA C 55.50 0.3 1 223 1159 68 GLU CB C 35.33 0.3 1 224 1159 68 GLU N N 116.43 . 1 225 1160 69 VAL H H 8.27 . 1 226 1160 69 VAL CA C 60.99 0.3 1 227 1160 69 VAL CB C 34.87 0.3 1 228 1160 69 VAL N N 120.08 . 1 229 1161 70 ASN H H 9.97 . 1 230 1161 70 ASN CA C 54.24 0.3 1 231 1161 70 ASN CB C 36.51 0.3 1 232 1161 70 ASN N N 129.66 . 1 233 1162 71 GLN H H 9.20 . 1 234 1162 71 GLN CA C 57.96 0.3 1 235 1162 71 GLN CB C 26.31 0.3 1 236 1162 71 GLN N N 107.65 . 1 237 1163 72 GLN H H 7.91 . 1 238 1163 72 GLN CA C 54.10 0.3 1 239 1163 72 GLN CB C 29.25 0.3 1 240 1163 72 GLN N N 111.92 . 1 241 1164 73 SER H H 8.70 . 1 242 1164 73 SER CA C 58.50 0.3 1 243 1164 73 SER CB C 63.45 0.3 1 244 1164 73 SER N N 118.28 . 1 245 1165 74 LEU H H 8.03 . 1 246 1165 74 LEU CA C 54.91 0.3 1 247 1165 74 LEU CB C 40.67 0.3 1 248 1165 74 LEU N N 125.02 . 1 249 1166 75 LEU H H 8.07 . 1 250 1166 75 LEU CA C 57.03 0.3 1 251 1166 75 LEU CB C 40.94 0.3 1 252 1166 75 LEU N N 123.17 . 1 253 1167 76 GLY H H 8.77 . 1 254 1167 76 GLY CA C 45.67 0.3 1 255 1167 76 GLY N N 113.90 . 1 256 1168 77 LEU H H 7.70 . 1 257 1168 77 LEU CA C 55.34 0.3 1 258 1168 77 LEU CB C 41.61 0.3 1 259 1168 77 LEU N N 120.30 . 1 260 1169 78 THR H H 8.96 . 1 261 1169 78 THR CA C 60.86 0.3 1 262 1169 78 THR CB C 71.70 0.3 1 263 1169 78 THR N N 112.43 . 1 264 1170 79 HIS H H 9.51 . 1 265 1170 79 HIS CA C 61.26 0.3 1 266 1170 79 HIS CB C 29.24 0.3 1 267 1170 79 HIS N N 120.47 . 1 268 1171 80 GLY H H 8.92 . 1 269 1171 80 GLY CA C 47.10 0.3 1 270 1171 80 GLY N N 104.20 . 1 271 1172 81 GLU H H 7.78 . 1 272 1172 81 GLU CA C 58.97 0.3 1 273 1172 81 GLU CB C 30.69 0.3 1 274 1172 81 GLU N N 121.96 . 1 275 1173 82 ALA CA C 55.38 0.3 1 276 1173 82 ALA CB C 18.51 0.3 1 277 1174 83 VAL H H 8.44 . 1 278 1174 83 VAL CA C 66.84 0.3 1 279 1174 83 VAL CB C 31.77 0.3 1 280 1174 83 VAL N N 117.99 . 1 281 1175 84 GLN H H 7.61 . 1 282 1175 84 GLN CA C 58.56 0.3 1 283 1175 84 GLN CB C 28.22 0.3 1 284 1175 84 GLN N N 118.20 . 1 285 1176 85 LEU H H 7.66 . 1 286 1176 85 LEU CA C 58.16 0.3 1 287 1176 85 LEU CB C 41.67 0.3 1 288 1176 85 LEU N N 120.54 . 1 289 1177 86 LEU H H 7.81 . 1 290 1177 86 LEU CA C 57.64 0.3 1 291 1177 86 LEU CB C 41.47 0.3 1 292 1177 86 LEU N N 118.91 . 1 293 1178 87 ARG H H 7.90 . 1 294 1178 87 ARG CA C 57.55 0.3 1 295 1178 87 ARG CB C 30.44 0.3 1 296 1178 87 ARG N N 117.45 . 1 297 1179 88 SER CA C 59.09 0.3 1 298 1179 88 SER CB C 64.19 0.3 1 299 1180 89 VAL H H 7.35 . 1 300 1180 89 VAL CA C 62.63 0.3 1 301 1180 89 VAL CB C 32.38 0.3 1 302 1180 89 VAL N N 118.79 . 1 303 1181 90 GLY H H 8.72 . 1 304 1181 90 GLY CA C 44.73 0.3 1 305 1181 90 GLY N N 113.05 . 1 306 1182 91 ASP H H 8.39 . 1 307 1182 91 ASP CA C 55.83 0.3 1 308 1182 91 ASP CB C 40.97 0.3 1 309 1182 91 ASP N N 120.34 . 1 310 1183 92 THR CA C 61.22 0.3 1 311 1183 92 THR CB C 71.42 0.3 1 312 1184 93 LEU H H 9.05 . 1 313 1184 93 LEU CA C 54.08 0.3 1 314 1184 93 LEU CB C 44.35 0.3 1 315 1184 93 LEU N N 126.61 . 1 316 1185 94 THR H H 8.83 . 1 317 1185 94 THR CA C 61.05 0.3 1 318 1185 94 THR CB C 69.98 0.3 1 319 1185 94 THR N N 120.86 . 1 320 1186 95 VAL H H 9.22 . 1 321 1186 95 VAL CA C 58.24 0.3 1 322 1186 95 VAL CB C 34.75 0.3 1 323 1186 95 VAL N N 119.72 . 1 324 1187 96 LEU H H 8.21 . 1 325 1187 96 LEU CA C 53.96 0.3 1 326 1187 96 LEU CB C 44.78 0.3 1 327 1187 96 LEU N N 126.16 . 1 328 1188 97 VAL H H 9.01 . 1 329 1188 97 VAL CA C 57.99 0.3 1 330 1188 97 VAL CB C 36.10 0.3 1 331 1188 97 VAL N N 119.38 . 1 332 1189 98 CYS H H 8.67 . 1 333 1189 98 CYS CA C 56.50 0.3 1 334 1189 98 CYS CB C 30.82 0.3 1 335 1189 98 CYS N N 113.62 . 1 336 1190 99 ASP CA C 55.68 0.3 1 337 1190 99 ASP CB C 40.89 0.3 1 338 1191 100 GLY H H 8.56 . 1 339 1191 100 GLY CA C 45.61 0.3 1 340 1191 100 GLY N N 109.57 . 1 stop_ save_