data_26722 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N, 13C backbone shift assignments of PhyR protein from Erythrobacter litoralis ; _BMRB_accession_number 26722 _BMRB_flat_file_name bmr26722.str _Entry_type original _Submission_date 2015-12-14 _Accession_date 2015-12-14 _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 Correa Fernando . . 2 Gardner Kevin H. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 255 "13C chemical shifts" 497 "15N chemical shifts" 252 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-01-11 update BMRB 'update entry citation' 2016-09-01 original author 'original release' stop_ _Original_release_date 2016-09-01 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Basis of Mutual Domain Inhibition in a Bacterial Response Regulator ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27524295 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Correa Fernando . . 2 Gardner Kevin H. . stop_ _Journal_abbreviation 'Cell Chem. Biol.' _Journal_volume 23 _Journal_issue 8 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 945 _Page_last 954 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name PhyR _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label ELI10215 $ELI10215 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_ELI10215 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ELI10215 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 270 _Mol_residue_sequence ; GAMGMSASQKIAANLPYLRR YARALTGSQQTGDTFVRATL EAAIADESLKQDVSEGRVPL YKAFNALWSSSYLEVEGDDG GDVVSAKEAGAGDRLKAVTP LNRQALLLTTLEDFSVEDAA EIMGLAPADVEGLVREAVAE IDRESSTNVLIIEDEPLISM QLEDLVRSLGHDIAGTAATR TQAQEAVAKEKPGLVLADIQ LADGSSGIDAVEDILGQFDV PVIFITAYPERLLTGDRPEP TYLVTKPFQESTVRTTISQA LFFQNSPTAV ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 ALA 3 3 MET 4 4 GLY 5 5 MET 6 6 SER 7 7 ALA 8 8 SER 9 9 GLN 10 10 LYS 11 11 ILE 12 12 ALA 13 13 ALA 14 14 ASN 15 15 LEU 16 16 PRO 17 17 TYR 18 18 LEU 19 19 ARG 20 20 ARG 21 21 TYR 22 22 ALA 23 23 ARG 24 24 ALA 25 25 LEU 26 26 THR 27 27 GLY 28 28 SER 29 29 GLN 30 30 GLN 31 31 THR 32 32 GLY 33 33 ASP 34 34 THR 35 35 PHE 36 36 VAL 37 37 ARG 38 38 ALA 39 39 THR 40 40 LEU 41 41 GLU 42 42 ALA 43 43 ALA 44 44 ILE 45 45 ALA 46 46 ASP 47 47 GLU 48 48 SER 49 49 LEU 50 50 LYS 51 51 GLN 52 52 ASP 53 53 VAL 54 54 SER 55 55 GLU 56 56 GLY 57 57 ARG 58 58 VAL 59 59 PRO 60 60 LEU 61 61 TYR 62 62 LYS 63 63 ALA 64 64 PHE 65 65 ASN 66 66 ALA 67 67 LEU 68 68 TRP 69 69 SER 70 70 SER 71 71 SER 72 72 TYR 73 73 LEU 74 74 GLU 75 75 VAL 76 76 GLU 77 77 GLY 78 78 ASP 79 79 ASP 80 80 GLY 81 81 GLY 82 82 ASP 83 83 VAL 84 84 VAL 85 85 SER 86 86 ALA 87 87 LYS 88 88 GLU 89 89 ALA 90 90 GLY 91 91 ALA 92 92 GLY 93 93 ASP 94 94 ARG 95 95 LEU 96 96 LYS 97 97 ALA 98 98 VAL 99 99 THR 100 100 PRO 101 101 LEU 102 102 ASN 103 103 ARG 104 104 GLN 105 105 ALA 106 106 LEU 107 107 LEU 108 108 LEU 109 109 THR 110 110 THR 111 111 LEU 112 112 GLU 113 113 ASP 114 114 PHE 115 115 SER 116 116 VAL 117 117 GLU 118 118 ASP 119 119 ALA 120 120 ALA 121 121 GLU 122 122 ILE 123 123 MET 124 124 GLY 125 125 LEU 126 126 ALA 127 127 PRO 128 128 ALA 129 129 ASP 130 130 VAL 131 131 GLU 132 132 GLY 133 133 LEU 134 134 VAL 135 135 ARG 136 136 GLU 137 137 ALA 138 138 VAL 139 139 ALA 140 140 GLU 141 141 ILE 142 142 ASP 143 143 ARG 144 144 GLU 145 145 SER 146 146 SER 147 147 THR 148 148 ASN 149 149 VAL 150 150 LEU 151 151 ILE 152 152 ILE 153 153 GLU 154 154 ASP 155 155 GLU 156 156 PRO 157 157 LEU 158 158 ILE 159 159 SER 160 160 MET 161 161 GLN 162 162 LEU 163 163 GLU 164 164 ASP 165 165 LEU 166 166 VAL 167 167 ARG 168 168 SER 169 169 LEU 170 170 GLY 171 171 HIS 172 172 ASP 173 173 ILE 174 174 ALA 175 175 GLY 176 176 THR 177 177 ALA 178 178 ALA 179 179 THR 180 180 ARG 181 181 THR 182 182 GLN 183 183 ALA 184 184 GLN 185 185 GLU 186 186 ALA 187 187 VAL 188 188 ALA 189 189 LYS 190 190 GLU 191 191 LYS 192 192 PRO 193 193 GLY 194 194 LEU 195 195 VAL 196 196 LEU 197 197 ALA 198 198 ASP 199 199 ILE 200 200 GLN 201 201 LEU 202 202 ALA 203 203 ASP 204 204 GLY 205 205 SER 206 206 SER 207 207 GLY 208 208 ILE 209 209 ASP 210 210 ALA 211 211 VAL 212 212 GLU 213 213 ASP 214 214 ILE 215 215 LEU 216 216 GLY 217 217 GLN 218 218 PHE 219 219 ASP 220 220 VAL 221 221 PRO 222 222 VAL 223 223 ILE 224 224 PHE 225 225 ILE 226 226 THR 227 227 ALA 228 228 TYR 229 229 PRO 230 230 GLU 231 231 ARG 232 232 LEU 233 233 LEU 234 234 THR 235 235 GLY 236 236 ASP 237 237 ARG 238 238 PRO 239 239 GLU 240 240 PRO 241 241 THR 242 242 TYR 243 243 LEU 244 244 VAL 245 245 THR 246 246 LYS 247 247 PRO 248 248 PHE 249 249 GLN 250 250 GLU 251 251 SER 252 252 THR 253 253 VAL 254 254 ARG 255 255 THR 256 256 THR 257 257 ILE 258 258 SER 259 259 GLN 260 260 ALA 261 261 LEU 262 262 PHE 263 263 PHE 264 264 GLN 265 265 ASN 266 266 SER 267 267 PRO 268 268 THR 269 269 ALA 270 270 VAL 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 $ELI10215 a-proteobacteria 39960 Bacteria . Erythrobacter litoralis 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 $ELI10215 'recombinant technology' . Escherichia coli . 'pHis - parallel' 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 $ELI10215 . mM 0.5 1 '[U-13C; U-15N; U-2H]' TRIS 10 mM . . 'natural abundance' 'sodium chloride' 50 mM . . 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $ELI10215 . mM 0.5 1 '[U-99% 13C; U-99% 15N]' TRIS 10 mM . . 'natural abundance' 'sodium chloride' 50 mM . . 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HN(CA)CB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CB' _Sample_label $sample_1 save_ save_3D_HN(COCA)CB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_2D_1H-15N_TROSY_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_TROSY_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY HSQC' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.05 . M pH 7 . pH pressure 1 . atm temperature 298.15 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details 'Sample U-2H labeled, no correction applied for 2H isotope effects' 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 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 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 '3D HNCO' '3D HNCA' '3D HN(CO)CA' '3D HN(CA)CB' '3D HN(COCA)CB' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '2D 1H-15N TROSY HSQC' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name ELI10215 _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 -2 2 ALA CA C 52.1354 0.2 1 2 -2 2 ALA CB C 18.5338 0.2 1 3 -1 3 MET H H 8.5196 0.01 1 4 -1 3 MET CA C 55.2328 0.2 1 5 -1 3 MET CB C 31.9866 0.2 1 6 -1 3 MET N N 119.7099 0.2 1 7 0 4 GLY H H 8.4365 0.01 1 8 0 4 GLY CA C 44.8000 0.2 1 9 0 4 GLY N N 110.0955 0.2 1 10 1 5 MET H H 8.2308 0.01 1 11 1 5 MET CA C 55.5331 0.2 1 12 1 5 MET CB C 33.5184 0.2 1 13 1 5 MET N N 120.0198 0.2 1 14 2 6 SER H H 8.6475 0.01 1 15 2 6 SER CA C 57.4260 0.2 1 16 2 6 SER CB C 64.2055 0.2 1 17 2 6 SER N N 117.9377 0.2 1 18 3 7 ALA H H 8.8201 0.01 1 19 3 7 ALA CA C 54.9145 0.2 1 20 3 7 ALA CB C 17.4895 0.2 1 21 3 7 ALA N N 123.8791 0.2 1 22 4 8 SER H H 8.4006 0.01 1 23 4 8 SER CA C 61.1930 0.2 1 24 4 8 SER CB C 61.9290 0.2 1 25 4 8 SER N N 111.5321 0.2 1 26 5 9 GLN H H 7.9281 0.01 1 27 5 9 GLN CA C 58.1606 0.2 1 28 5 9 GLN CB C 28.0709 0.2 1 29 5 9 GLN N N 122.5559 0.2 1 30 6 10 LYS H H 8.2498 0.01 1 31 6 10 LYS CA C 59.2206 0.2 1 32 6 10 LYS CB C 31.9769 0.2 1 33 6 10 LYS N N 120.7282 0.2 1 34 7 11 ILE H H 7.9331 0.01 1 35 7 11 ILE CA C 64.5624 0.2 1 36 7 11 ILE CB C 37.6156 0.2 1 37 7 11 ILE N N 118.2202 0.2 1 38 8 12 ALA H H 7.9642 0.01 1 39 8 12 ALA CA C 54.6142 0.2 1 40 8 12 ALA CB C 17.3633 0.2 1 41 8 12 ALA N N 120.0385 0.2 1 42 9 13 ALA H H 7.6676 0.01 1 43 9 13 ALA CA C 53.8216 0.2 1 44 9 13 ALA CB C 17.7910 0.2 1 45 9 13 ALA N N 117.5349 0.2 1 46 10 14 ASN H H 7.5569 0.01 1 47 10 14 ASN CA C 52.9466 0.2 1 48 10 14 ASN CB C 40.6600 0.2 1 49 10 14 ASN N N 111.8424 0.2 1 50 11 15 LEU H H 7.7091 0.01 1 51 11 15 LEU CA C 58.3759 0.2 1 52 11 15 LEU CB C 39.0147 0.2 1 53 11 15 LEU N N 121.3834 0.2 1 54 12 16 PRO CA C 66.1868 0.2 1 55 12 16 PRO CB C 30.1406 0.2 1 56 13 17 TYR H H 6.4640 0.01 1 57 13 17 TYR CA C 59.2393 0.2 1 58 13 17 TYR CB C 36.3585 0.2 1 59 13 17 TYR N N 114.4577 0.2 1 60 14 18 LEU H H 7.3955 0.01 1 61 14 18 LEU CA C 56.7813 0.2 1 62 14 18 LEU CB C 40.2648 0.2 1 63 14 18 LEU N N 119.0692 0.2 1 64 15 19 ARG H H 8.2381 0.01 1 65 15 19 ARG CA C 60.0456 0.2 1 66 15 19 ARG CB C 28.1691 0.2 1 67 15 19 ARG N N 115.8054 0.2 1 68 16 20 ARG H H 7.7480 0.01 1 69 16 20 ARG CA C 59.2912 0.2 1 70 16 20 ARG CB C 28.2985 0.2 1 71 16 20 ARG N N 121.6457 0.2 1 72 17 21 TYR H H 8.0499 0.01 1 73 17 21 TYR CA C 59.6868 0.2 1 74 17 21 TYR CB C 37.9041 0.2 1 75 17 21 TYR N N 121.4370 0.2 1 76 18 22 ALA H H 8.6433 0.01 1 77 18 22 ALA CA C 54.3391 0.2 1 78 18 22 ALA CB C 20.1559 0.2 1 79 18 22 ALA N N 119.2606 0.2 1 80 19 23 ARG H H 8.7656 0.01 1 81 19 23 ARG CA C 59.1988 0.2 1 82 19 23 ARG CB C 30.3297 0.2 1 83 19 23 ARG N N 118.6009 0.2 1 84 20 24 ALA H H 7.4992 0.01 1 85 20 24 ALA CA C 54.4938 0.2 1 86 20 24 ALA CB C 16.9775 0.2 1 87 20 24 ALA N N 119.9807 0.2 1 88 21 25 LEU H H 8.4765 0.01 1 89 21 25 LEU CA C 56.1928 0.2 1 90 21 25 LEU CB C 42.7666 0.2 1 91 21 25 LEU N N 114.2233 0.2 1 92 22 26 THR H H 7.4138 0.01 1 93 22 26 THR CA C 61.8046 0.2 1 94 22 26 THR CB C 70.9598 0.2 1 95 22 26 THR N N 104.6239 0.2 1 96 23 27 GLY H H 8.0064 0.01 1 97 23 27 GLY CA C 45.3719 0.2 1 98 23 27 GLY N N 113.0392 0.2 1 99 24 28 SER H H 7.4027 0.01 1 100 24 28 SER CA C 56.6434 0.2 1 101 24 28 SER CB C 64.5550 0.2 1 102 24 28 SER N N 112.0230 0.2 1 103 25 29 GLN H H 8.6063 0.01 1 104 25 29 GLN CB C 25.6796 0.2 1 105 25 29 GLN N N 126.7471 0.2 1 106 26 30 GLN H H 8.5111 0.01 1 107 26 30 GLN CB C 27.4349 0.2 1 108 26 30 GLN N N 117.0351 0.2 1 109 27 31 THR H H 8.1503 0.01 1 110 27 31 THR CA C 65.6397 0.2 1 111 27 31 THR CB C 67.5786 0.2 1 112 27 31 THR N N 115.9760 0.2 1 113 28 32 GLY H H 8.0494 0.01 1 114 28 32 GLY CA C 48.2467 0.2 1 115 28 32 GLY N N 110.0030 0.2 1 116 29 33 ASP H H 8.8997 0.01 1 117 29 33 ASP CA C 57.5211 0.2 1 118 29 33 ASP CB C 38.2612 0.2 1 119 29 33 ASP N N 121.7180 0.2 1 120 30 34 THR H H 7.9508 0.01 1 121 30 34 THR CA C 66.8830 0.2 1 122 30 34 THR CB C 67.7359 0.2 1 123 30 34 THR N N 118.9519 0.2 1 124 31 35 PHE H H 8.0149 0.01 1 125 31 35 PHE CA C 62.2431 0.2 1 126 31 35 PHE CB C 39.3533 0.2 1 127 31 35 PHE N N 120.7934 0.2 1 128 32 36 VAL H H 8.2569 0.01 1 129 32 36 VAL CA C 68.2072 0.2 1 130 32 36 VAL CB C 29.7100 0.2 1 131 32 36 VAL N N 122.2996 0.2 1 132 33 37 ARG H H 8.1868 0.01 1 133 33 37 ARG CA C 59.8771 0.2 1 134 33 37 ARG CB C 28.8485 0.2 1 135 33 37 ARG N N 120.8243 0.2 1 136 34 38 ALA H H 8.1646 0.01 1 137 34 38 ALA CA C 54.4949 0.2 1 138 34 38 ALA CB C 17.3771 0.2 1 139 34 38 ALA N N 119.9023 0.2 1 140 35 39 THR H H 7.9753 0.01 1 141 35 39 THR CA C 67.0293 0.2 1 142 35 39 THR CB C 67.7117 0.2 1 143 35 39 THR N N 117.8148 0.2 1 144 36 40 LEU H H 8.1351 0.01 1 145 36 40 LEU CA C 57.6642 0.2 1 146 36 40 LEU CB C 40.4826 0.2 1 147 36 40 LEU N N 122.2566 0.2 1 148 37 41 GLU H H 8.3162 0.01 1 149 37 41 GLU CA C 58.7983 0.2 1 150 37 41 GLU CB C 28.4899 0.2 1 151 37 41 GLU N N 116.3302 0.2 1 152 38 42 ALA H H 7.7244 0.01 1 153 38 42 ALA CA C 54.1316 0.2 1 154 38 42 ALA CB C 17.0441 0.2 1 155 38 42 ALA N N 121.1769 0.2 1 156 39 43 ALA H H 8.0692 0.01 1 157 39 43 ALA CA C 53.9518 0.2 1 158 39 43 ALA CB C 17.0840 0.2 1 159 39 43 ALA N N 120.0390 0.2 1 160 40 44 ILE H H 8.0331 0.01 1 161 40 44 ILE CA C 62.6290 0.2 1 162 40 44 ILE CB C 36.7675 0.2 1 163 40 44 ILE N N 113.0551 0.2 1 164 41 45 ALA H H 7.3951 0.01 1 165 41 45 ALA CA C 52.5813 0.2 1 166 41 45 ALA CB C 18.5261 0.2 1 167 41 45 ALA N N 120.8133 0.2 1 168 42 46 ASP H H 7.4083 0.01 1 169 42 46 ASP CA C 52.8027 0.2 1 170 42 46 ASP CB C 42.1014 0.2 1 171 42 46 ASP N N 118.3312 0.2 1 172 43 47 GLU H H 8.7514 0.01 1 173 43 47 GLU CA C 58.5514 0.2 1 174 43 47 GLU CB C 28.8363 0.2 1 175 43 47 GLU N N 123.7669 0.2 1 176 44 48 SER H H 8.3134 0.01 1 177 44 48 SER CA C 60.7925 0.2 1 178 44 48 SER CB C 62.0776 0.2 1 179 44 48 SER N N 115.0711 0.2 1 180 45 49 LEU H H 7.7847 0.01 1 181 45 49 LEU CA C 56.4916 0.2 1 182 45 49 LEU CB C 40.6421 0.2 1 183 45 49 LEU N N 124.8110 0.2 1 184 46 50 LYS H H 8.5000 0.01 1 185 46 50 LYS CA C 58.9400 0.2 1 186 46 50 LYS N N 119.7406 0.2 1 187 47 51 GLN H H 7.7742 0.01 1 188 47 51 GLN CA C 57.1747 0.2 1 189 47 51 GLN N N 116.2200 0.2 1 190 48 52 ASP H H 8.0336 0.01 1 191 48 52 ASP CA C 56.5132 0.2 1 192 48 52 ASP CB C 40.5431 0.2 1 193 48 52 ASP N N 120.8271 0.2 1 194 49 53 VAL H H 8.6496 0.01 1 195 49 53 VAL CA C 63.1611 0.2 1 196 49 53 VAL CB C 30.6503 0.2 1 197 49 53 VAL N N 113.1784 0.2 1 198 50 54 SER H H 7.9128 0.01 1 199 50 54 SER CA C 59.5969 0.2 1 200 50 54 SER CB C 63.4765 0.2 1 201 50 54 SER N N 114.9896 0.2 1 202 51 55 GLU H H 7.6208 0.01 1 203 51 55 GLU CA C 56.8925 0.2 1 204 51 55 GLU CB C 29.2675 0.2 1 205 51 55 GLU N N 119.4591 0.2 1 206 52 56 GLY H H 7.4941 0.01 1 207 52 56 GLY CA C 44.7863 0.2 1 208 52 56 GLY N N 104.0996 0.2 1 209 53 57 ARG H H 8.6971 0.01 1 210 53 57 ARG CA C 60.5348 0.2 1 211 53 57 ARG CB C 30.3889 0.2 1 212 53 57 ARG N N 118.6788 0.2 1 213 54 58 VAL H H 8.9052 0.01 1 214 54 58 VAL CA C 68.6486 0.2 1 215 54 58 VAL CB C 27.8178 0.2 1 216 54 58 VAL N N 117.2624 0.2 1 217 55 59 PRO CA C 65.0516 0.2 1 218 55 59 PRO CB C 30.1350 0.2 1 219 56 60 LEU H H 7.2895 0.01 1 220 56 60 LEU CA C 58.1365 0.2 1 221 56 60 LEU CB C 40.9179 0.2 1 222 56 60 LEU N N 119.2787 0.2 1 223 57 61 TYR H H 8.9982 0.01 1 224 57 61 TYR CA C 60.9416 0.2 1 225 57 61 TYR CB C 37.6328 0.2 1 226 57 61 TYR N N 119.8128 0.2 1 227 58 62 LYS H H 9.0796 0.01 1 228 58 62 LYS CA C 59.6367 0.2 1 229 58 62 LYS CB C 32.9350 0.2 1 230 58 62 LYS N N 122.4008 0.2 1 231 59 63 ALA H H 7.9493 0.01 1 232 59 63 ALA CA C 54.7252 0.2 1 233 59 63 ALA CB C 16.8703 0.2 1 234 59 63 ALA N N 123.2155 0.2 1 235 60 64 PHE H H 8.2837 0.01 1 236 60 64 PHE CA C 60.3371 0.2 1 237 60 64 PHE CB C 38.7996 0.2 1 238 60 64 PHE N N 119.3992 0.2 1 239 61 65 ASN H H 9.1510 0.01 1 240 61 65 ASN CA C 57.0901 0.2 1 241 61 65 ASN CB C 39.0392 0.2 1 242 61 65 ASN N N 119.3307 0.2 1 243 62 66 ALA H H 8.0656 0.01 1 244 62 66 ALA CA C 54.7863 0.2 1 245 62 66 ALA CB C 17.1421 0.2 1 246 62 66 ALA N N 122.1888 0.2 1 247 63 67 LEU H H 7.4865 0.01 1 248 63 67 LEU CA C 57.7612 0.2 1 249 63 67 LEU CB C 41.0091 0.2 1 250 63 67 LEU N N 120.8708 0.2 1 251 64 68 TRP H H 8.9567 0.01 1 252 64 68 TRP HE1 H 9.3717 0.01 1 253 64 68 TRP CA C 60.5665 0.2 1 254 64 68 TRP N N 121.7546 0.2 1 255 64 68 TRP NE1 N 128.1333 0.2 1 256 65 69 SER H H 8.5343 0.01 1 257 65 69 SER CA C 60.8665 0.2 1 258 65 69 SER CB C 62.4060 0.2 1 259 65 69 SER N N 113.0496 0.2 1 260 66 70 SER H H 7.4424 0.01 1 261 66 70 SER CA C 59.8259 0.2 1 262 66 70 SER CB C 62.9160 0.2 1 263 66 70 SER N N 114.9665 0.2 1 264 67 71 SER H H 7.5408 0.01 1 265 67 71 SER CA C 59.9795 0.2 1 266 67 71 SER CB C 63.0437 0.2 1 267 67 71 SER N N 116.5144 0.2 1 268 68 72 TYR H H 7.3695 0.01 1 269 68 72 TYR CA C 57.9737 0.2 1 270 68 72 TYR CB C 37.7763 0.2 1 271 68 72 TYR N N 119.2929 0.2 1 272 69 73 LEU H H 7.5547 0.01 1 273 69 73 LEU CA C 54.6473 0.2 1 274 69 73 LEU CB C 41.3959 0.2 1 275 69 73 LEU N N 121.4683 0.2 1 276 70 74 GLU H H 8.1341 0.01 1 277 70 74 GLU CA C 55.8654 0.2 1 278 70 74 GLU CB C 29.4542 0.2 1 279 70 74 GLU N N 121.5889 0.2 1 280 71 75 VAL H H 8.1340 0.01 1 281 71 75 VAL CA C 61.4892 0.2 1 282 71 75 VAL CB C 32.2601 0.2 1 283 71 75 VAL N N 121.1811 0.2 1 284 72 76 GLU H H 8.5118 0.01 1 285 72 76 GLU CA C 56.2172 0.2 1 286 72 76 GLU CB C 29.6184 0.2 1 287 72 76 GLU N N 124.8650 0.2 1 288 73 77 GLY H H 8.4095 0.01 1 289 73 77 GLY CA C 44.7405 0.2 1 290 73 77 GLY N N 110.2766 0.2 1 291 74 78 ASP H H 8.2783 0.01 1 292 74 78 ASP CA C 53.9808 0.2 1 293 74 78 ASP CB C 40.9268 0.2 1 294 74 78 ASP N N 120.4664 0.2 1 295 75 79 ASP H H 8.3957 0.01 1 296 75 79 ASP CB C 40.5159 0.2 1 297 75 79 ASP N N 120.8437 0.2 1 298 76 80 GLY H H 8.4457 0.01 1 299 76 80 GLY CA C 45.2096 0.2 1 300 76 80 GLY N N 109.2563 0.2 1 301 77 81 GLY H H 8.2865 0.01 1 302 77 81 GLY CA C 44.9630 0.2 1 303 77 81 GLY N N 108.6235 0.2 1 304 78 82 ASP H H 8.3132 0.01 1 305 78 82 ASP CA C 53.9487 0.2 1 306 78 82 ASP CB C 40.5281 0.2 1 307 78 82 ASP N N 120.3935 0.2 1 308 79 83 VAL H H 8.0610 0.01 1 309 79 83 VAL CA C 62.1417 0.2 1 310 79 83 VAL CB C 31.7181 0.2 1 311 79 83 VAL N N 119.8573 0.2 1 312 80 84 VAL H H 8.1932 0.01 1 313 80 84 VAL CA C 62.3485 0.2 1 314 80 84 VAL CB C 31.6583 0.2 1 315 80 84 VAL N N 123.2561 0.2 1 316 81 85 SER H H 8.3002 0.01 1 317 81 85 SER CA C 58.1090 0.2 1 318 81 85 SER CB C 63.0342 0.2 1 319 81 85 SER N N 118.7773 0.2 1 320 82 86 ALA H H 8.2963 0.01 1 321 82 86 ALA CA C 52.3903 0.2 1 322 82 86 ALA CB C 18.1670 0.2 1 323 82 86 ALA N N 125.7201 0.2 1 324 83 87 LYS H H 8.1946 0.01 1 325 83 87 LYS CA C 56.1551 0.2 1 326 83 87 LYS CB C 32.0425 0.2 1 327 83 87 LYS N N 119.9686 0.2 1 328 84 88 GLU H H 8.3194 0.01 1 329 84 88 GLU CB C 29.2580 0.2 1 330 84 88 GLU N N 121.2064 0.2 1 331 85 89 ALA H H 8.3071 0.01 1 332 85 89 ALA CA C 52.5211 0.2 1 333 85 89 ALA CB C 18.2135 0.2 1 334 85 89 ALA N N 124.6325 0.2 1 335 86 90 GLY H H 8.3903 0.01 1 336 86 90 GLY CA C 44.8738 0.2 1 337 86 90 GLY N N 108.1533 0.2 1 338 87 91 ALA H H 8.1467 0.01 1 339 87 91 ALA CA C 52.4949 0.2 1 340 87 91 ALA CB C 18.4844 0.2 1 341 87 91 ALA N N 123.4567 0.2 1 342 88 92 GLY H H 8.4275 0.01 1 343 88 92 GLY CA C 45.0166 0.2 1 344 88 92 GLY N N 107.5743 0.2 1 345 89 93 ASP H H 8.1631 0.01 1 346 89 93 ASP CA C 54.1874 0.2 1 347 89 93 ASP CB C 40.5684 0.2 1 348 89 93 ASP N N 120.2198 0.2 1 349 90 94 ARG H H 8.2317 0.01 1 350 90 94 ARG CA C 55.9164 0.2 1 351 90 94 ARG CB C 29.7688 0.2 1 352 90 94 ARG N N 120.6396 0.2 1 353 91 95 LEU H H 8.2384 0.01 1 354 91 95 LEU CA C 54.8760 0.2 1 355 91 95 LEU N N 122.0212 0.2 1 356 92 96 LYS H H 8.1715 0.01 1 357 92 96 LYS CA C 55.8548 0.2 1 358 92 96 LYS CB C 32.3231 0.2 1 359 92 96 LYS N N 121.3371 0.2 1 360 93 97 ALA H H 8.1351 0.01 1 361 93 97 ALA CA C 51.8197 0.2 1 362 93 97 ALA N N 124.0512 0.2 1 363 94 98 VAL H H 8.0317 0.01 1 364 94 98 VAL CA C 60.8917 0.2 1 365 94 98 VAL CB C 32.9333 0.2 1 366 94 98 VAL N N 119.5204 0.2 1 367 95 99 THR H H 8.5063 0.01 1 368 95 99 THR CA C 61.9304 0.2 1 369 95 99 THR CB C 69.3777 0.2 1 370 95 99 THR N N 124.7884 0.2 1 371 96 100 PRO CA C 61.7674 0.2 1 372 96 100 PRO CB C 32.3725 0.2 1 373 97 101 LEU H H 8.4770 0.01 1 374 97 101 LEU CA C 57.8722 0.2 1 375 97 101 LEU CB C 41.8916 0.2 1 376 97 101 LEU N N 120.9941 0.2 1 377 98 102 ASN H H 9.0013 0.01 1 378 98 102 ASN CA C 56.1042 0.2 1 379 98 102 ASN CB C 34.7455 0.2 1 380 98 102 ASN N N 114.7525 0.2 1 381 99 103 ARG H H 7.3642 0.01 1 382 99 103 ARG CA C 57.6096 0.2 1 383 99 103 ARG CB C 29.0551 0.2 1 384 99 103 ARG N N 122.2453 0.2 1 385 100 104 GLN H H 8.2229 0.01 1 386 100 104 GLN CA C 59.8980 0.2 1 387 100 104 GLN CB C 27.3054 0.2 1 388 100 104 GLN N N 121.3327 0.2 1 389 101 105 ALA H H 7.9062 0.01 1 390 101 105 ALA CA C 54.9363 0.2 1 391 101 105 ALA CB C 18.3237 0.2 1 392 101 105 ALA N N 119.2926 0.2 1 393 102 106 LEU H H 7.7264 0.01 1 394 102 106 LEU CA C 57.2961 0.2 1 395 102 106 LEU CB C 41.2801 0.2 1 396 102 106 LEU N N 118.5679 0.2 1 397 103 107 LEU H H 9.0733 0.01 1 398 103 107 LEU CA C 58.6446 0.2 1 399 103 107 LEU CB C 42.0571 0.2 1 400 103 107 LEU N N 123.0047 0.2 1 401 104 108 LEU H H 8.6432 0.01 1 402 104 108 LEU CA C 57.4829 0.2 1 403 104 108 LEU CB C 41.9922 0.2 1 404 104 108 LEU N N 117.7422 0.2 1 405 105 109 THR H H 7.4403 0.01 1 406 105 109 THR CA C 61.5359 0.2 1 407 105 109 THR CB C 70.1569 0.2 1 408 105 109 THR N N 102.6025 0.2 1 409 106 110 THR H H 7.6598 0.01 1 410 106 110 THR CA C 60.9122 0.2 1 411 106 110 THR CB C 70.2250 0.2 1 412 106 110 THR N N 110.7075 0.2 1 413 107 111 LEU H H 8.4334 0.01 1 414 107 111 LEU CA C 57.3228 0.2 1 415 107 111 LEU CB C 42.5231 0.2 1 416 107 111 LEU N N 125.0600 0.2 1 417 108 112 GLU H H 7.5311 0.01 1 418 108 112 GLU CA C 54.7545 0.2 1 419 108 112 GLU CB C 29.9300 0.2 1 420 108 112 GLU N N 109.4427 0.2 1 421 109 113 ASP H H 7.2156 0.01 1 422 109 113 ASP CA C 55.1095 0.2 1 423 109 113 ASP CB C 39.4863 0.2 1 424 109 113 ASP N N 113.4971 0.2 1 425 110 114 PHE H H 8.0915 0.01 1 426 110 114 PHE CA C 58.1202 0.2 1 427 110 114 PHE CB C 38.5673 0.2 1 428 110 114 PHE N N 115.7985 0.2 1 429 111 115 SER H H 9.1798 0.01 1 430 111 115 SER CA C 56.3394 0.2 1 431 111 115 SER CB C 64.4616 0.2 1 432 111 115 SER N N 116.0400 0.2 1 433 112 116 VAL H H 8.8502 0.01 1 434 112 116 VAL CA C 66.6641 0.2 1 435 112 116 VAL CB C 30.6923 0.2 1 436 112 116 VAL N N 120.2050 0.2 1 437 113 117 GLU H H 8.6858 0.01 1 438 113 117 GLU CA C 60.6653 0.2 1 439 113 117 GLU CB C 27.8028 0.2 1 440 113 117 GLU N N 117.7634 0.2 1 441 114 118 ASP H H 7.9562 0.01 1 442 114 118 ASP CA C 56.6074 0.2 1 443 114 118 ASP CB C 39.4003 0.2 1 444 114 118 ASP N N 122.4462 0.2 1 445 115 119 ALA H H 8.7225 0.01 1 446 115 119 ALA CA C 54.3705 0.2 1 447 115 119 ALA CB C 17.4677 0.2 1 448 115 119 ALA N N 121.4935 0.2 1 449 116 120 ALA H H 8.3644 0.01 1 450 116 120 ALA CA C 55.2083 0.2 1 451 116 120 ALA CB C 16.2126 0.2 1 452 116 120 ALA N N 118.9709 0.2 1 453 117 121 GLU H H 7.3951 0.01 1 454 117 121 GLU CA C 58.3569 0.2 1 455 117 121 GLU CB C 27.8833 0.2 1 456 117 121 GLU N N 118.8209 0.2 1 457 118 122 ILE H H 7.7999 0.01 1 458 118 122 ILE CA C 65.4713 0.2 1 459 118 122 ILE CB C 37.2490 0.2 1 460 118 122 ILE N N 119.2496 0.2 1 461 119 123 MET H H 7.9614 0.01 1 462 119 123 MET CA C 56.9923 0.2 1 463 119 123 MET CB C 34.0017 0.2 1 464 119 123 MET N N 112.9977 0.2 1 465 120 124 GLY H H 7.9606 0.01 1 466 120 124 GLY CA C 46.0482 0.2 1 467 120 124 GLY N N 109.8125 0.2 1 468 121 125 LEU H H 8.0430 0.01 1 469 121 125 LEU CA C 52.0352 0.2 1 470 121 125 LEU CB C 45.6258 0.2 1 471 121 125 LEU N N 119.7862 0.2 1 472 122 126 ALA H H 8.6635 0.01 1 473 122 126 ALA CA C 49.6071 0.2 1 474 122 126 ALA CB C 17.0589 0.2 1 475 122 126 ALA N N 121.6973 0.2 1 476 123 127 PRO CA C 66.1833 0.2 1 477 123 127 PRO CB C 30.8881 0.2 1 478 124 128 ALA H H 8.5092 0.01 1 479 124 128 ALA CA C 54.5766 0.2 1 480 124 128 ALA CB C 17.6199 0.2 1 481 124 128 ALA N N 116.1505 0.2 1 482 125 129 ASP H H 7.3983 0.01 1 483 125 129 ASP CA C 56.2726 0.2 1 484 125 129 ASP CB C 40.4331 0.2 1 485 125 129 ASP N N 116.8666 0.2 1 486 126 130 VAL H H 7.4759 0.01 1 487 126 130 VAL CA C 66.6845 0.2 1 488 126 130 VAL CB C 30.3338 0.2 1 489 126 130 VAL N N 120.9664 0.2 1 490 127 131 GLU H H 8.3500 0.01 1 491 127 131 GLU CA C 59.5581 0.2 1 492 127 131 GLU CB C 28.7477 0.2 1 493 127 131 GLU N N 118.3655 0.2 1 494 128 132 GLY H H 7.6914 0.01 1 495 128 132 GLY CA C 46.7919 0.2 1 496 128 132 GLY N N 105.1600 0.2 1 497 129 133 LEU H H 8.1204 0.01 1 498 129 133 LEU CA C 57.3210 0.2 1 499 129 133 LEU CB C 41.5717 0.2 1 500 129 133 LEU N N 123.6354 0.2 1 501 130 134 VAL H H 8.4810 0.01 1 502 130 134 VAL CA C 66.9395 0.2 1 503 130 134 VAL CB C 30.6953 0.2 1 504 130 134 VAL N N 118.5346 0.2 1 505 131 135 ARG H H 7.5755 0.01 1 506 131 135 ARG CA C 59.4099 0.2 1 507 131 135 ARG CB C 29.2319 0.2 1 508 131 135 ARG N N 117.5530 0.2 1 509 132 136 GLU H H 8.0174 0.01 1 510 132 136 GLU CA C 58.5570 0.2 1 511 132 136 GLU CB C 29.6087 0.2 1 512 132 136 GLU N N 119.0692 0.2 1 513 133 137 ALA H H 8.4723 0.01 1 514 133 137 ALA CA C 54.7328 0.2 1 515 133 137 ALA CB C 18.7826 0.2 1 516 133 137 ALA N N 122.3028 0.2 1 517 134 138 VAL H H 8.5461 0.01 1 518 134 138 VAL CA C 66.6039 0.2 1 519 134 138 VAL CB C 30.7840 0.2 1 520 134 138 VAL N N 117.2731 0.2 1 521 135 139 ALA H H 7.5280 0.01 1 522 135 139 ALA CA C 54.2660 0.2 1 523 135 139 ALA CB C 17.0364 0.2 1 524 135 139 ALA N N 120.5040 0.2 1 525 136 140 GLU H H 7.7249 0.01 1 526 136 140 GLU CA C 58.9218 0.2 1 527 136 140 GLU CB C 28.7837 0.2 1 528 136 140 GLU N N 117.7526 0.2 1 529 137 141 ILE H H 8.1691 0.01 1 530 137 141 ILE CA C 64.9244 0.2 1 531 137 141 ILE CB C 36.8982 0.2 1 532 137 141 ILE N N 122.0521 0.2 1 533 138 142 ASP H H 8.1792 0.01 1 534 138 142 ASP CA C 56.4038 0.2 1 535 138 142 ASP CB C 40.1641 0.2 1 536 138 142 ASP N N 120.2317 0.2 1 537 139 143 ARG H H 7.2673 0.01 1 538 139 143 ARG CA C 55.3587 0.2 1 539 139 143 ARG CB C 30.2286 0.2 1 540 139 143 ARG N N 115.4814 0.2 1 541 140 144 GLU H H 7.5510 0.01 1 542 140 144 GLU CA C 56.4248 0.2 1 543 140 144 GLU CB C 28.9620 0.2 1 544 140 144 GLU N N 121.5382 0.2 1 545 141 145 SER H H 8.5376 0.01 1 546 141 145 SER CA C 58.3892 0.2 1 547 141 145 SER CB C 63.2133 0.2 1 548 141 145 SER N N 116.9417 0.2 1 549 142 146 SER H H 8.3296 0.01 1 550 142 146 SER CA C 58.0528 0.2 1 551 142 146 SER CB C 64.5855 0.2 1 552 142 146 SER N N 118.2579 0.2 1 553 143 147 THR H H 10.9510 0.01 1 554 143 147 THR CA C 59.9546 0.2 1 555 143 147 THR CB C 69.7394 0.2 1 556 143 147 THR N N 122.7726 0.2 1 557 144 148 ASN H H 8.6776 0.01 1 558 144 148 ASN CA C 50.8981 0.2 1 559 144 148 ASN CB C 38.5356 0.2 1 560 144 148 ASN N N 120.4391 0.2 1 561 145 149 VAL H H 8.9771 0.01 1 562 145 149 VAL CA C 61.1371 0.2 1 563 145 149 VAL CB C 33.6807 0.2 1 564 145 149 VAL N N 123.7582 0.2 1 565 146 150 LEU H H 8.5788 0.01 1 566 146 150 LEU CA C 52.9045 0.2 1 567 146 150 LEU CB C 43.5302 0.2 1 568 146 150 LEU N N 130.5385 0.2 1 569 147 151 ILE H H 8.3230 0.01 1 570 147 151 ILE CA C 59.8876 0.2 1 571 147 151 ILE CB C 39.0672 0.2 1 572 147 151 ILE N N 127.6195 0.2 1 573 148 152 ILE H H 8.9212 0.01 1 574 148 152 ILE CA C 59.3841 0.2 1 575 148 152 ILE CB C 37.6535 0.2 1 576 148 152 ILE N N 127.4007 0.2 1 577 149 153 GLU H H 8.3705 0.01 1 578 149 153 GLU CA C 54.3282 0.2 1 579 149 153 GLU CB C 31.0806 0.2 1 580 149 153 GLU N N 124.8923 0.2 1 581 150 154 ASP CA C 54.4436 0.2 1 582 150 154 ASP CB C 40.8997 0.2 1 583 151 155 GLU H H 8.6519 0.01 1 584 151 155 GLU CA C 53.3420 0.2 1 585 151 155 GLU CB C 29.5648 0.2 1 586 151 155 GLU N N 123.0515 0.2 1 587 152 156 PRO CA C 64.7216 0.2 1 588 152 156 PRO CB C 31.4918 0.2 1 589 153 157 LEU H H 8.8941 0.01 1 590 153 157 LEU CA C 57.3045 0.2 1 591 153 157 LEU CB C 40.3753 0.2 1 592 153 157 LEU N N 118.5781 0.2 1 593 154 158 ILE H H 7.4892 0.01 1 594 154 158 ILE CA C 61.7070 0.2 1 595 154 158 ILE CB C 36.0976 0.2 1 596 154 158 ILE N N 117.8129 0.2 1 597 155 159 SER H H 8.3145 0.01 1 598 155 159 SER N N 116.6569 0.2 1 599 157 161 GLN H H 7.7318 0.01 1 600 157 161 GLN CA C 58.3872 0.2 1 601 157 161 GLN CB C 27.8024 0.2 1 602 157 161 GLN N N 118.3599 0.2 1 603 158 162 LEU H H 8.5972 0.01 1 604 158 162 LEU CA C 57.2191 0.2 1 605 158 162 LEU CB C 40.9086 0.2 1 606 158 162 LEU N N 121.3086 0.2 1 607 159 163 GLU H H 8.7354 0.01 1 608 159 163 GLU CA C 59.8041 0.2 1 609 159 163 GLU CB C 28.6524 0.2 1 610 159 163 GLU N N 120.2688 0.2 1 611 160 164 ASP H H 8.0555 0.01 1 612 160 164 ASP CA C 56.9449 0.2 1 613 160 164 ASP CB C 39.7504 0.2 1 614 160 164 ASP N N 117.3407 0.2 1 615 161 165 LEU H H 7.9174 0.01 1 616 161 165 LEU CA C 57.6248 0.2 1 617 161 165 LEU CB C 40.6106 0.2 1 618 161 165 LEU N N 122.1963 0.2 1 619 162 166 VAL H H 8.5820 0.01 1 620 162 166 VAL CA C 67.3653 0.2 1 621 162 166 VAL CB C 30.7099 0.2 1 622 162 166 VAL N N 119.6056 0.2 1 623 163 167 ARG H H 8.3059 0.01 1 624 163 167 ARG CA C 59.0784 0.2 1 625 163 167 ARG CB C 29.0876 0.2 1 626 163 167 ARG N N 117.7124 0.2 1 627 164 168 SER H H 8.4313 0.01 1 628 164 168 SER CA C 61.1757 0.2 1 629 164 168 SER N N 118.6282 0.2 1 630 165 169 LEU H H 7.5522 0.01 1 631 165 169 LEU CA C 54.4139 0.2 1 632 165 169 LEU CB C 41.3899 0.2 1 633 165 169 LEU N N 120.0198 0.2 1 634 166 170 GLY H H 7.8387 0.01 1 635 166 170 GLY CA C 44.3158 0.2 1 636 166 170 GLY N N 105.5713 0.2 1 637 167 171 HIS H H 7.1098 0.01 1 638 167 171 HIS CA C 55.3617 0.2 1 639 167 171 HIS CB C 32.1469 0.2 1 640 167 171 HIS N N 118.8692 0.2 1 641 168 172 ASP H H 8.4577 0.01 1 642 168 172 ASP CA C 52.5399 0.2 1 643 168 172 ASP CB C 42.8559 0.2 1 644 168 172 ASP N N 118.4709 0.2 1 645 169 173 ILE H H 8.6615 0.01 1 646 169 173 ILE CA C 58.1189 0.2 1 647 169 173 ILE CB C 36.5070 0.2 1 648 169 173 ILE N N 120.5063 0.2 1 649 170 174 ALA H H 8.9957 0.01 1 650 170 174 ALA CA C 52.1835 0.2 1 651 170 174 ALA CB C 18.4730 0.2 1 652 170 174 ALA N N 131.9017 0.2 1 653 171 175 GLY H H 7.2789 0.01 1 654 171 175 GLY CA C 44.1533 0.2 1 655 171 175 GLY N N 102.9664 0.2 1 656 172 176 THR H H 8.1597 0.01 1 657 172 176 THR CA C 59.6340 0.2 1 658 172 176 THR CB C 70.1026 0.2 1 659 172 176 THR N N 112.8033 0.2 1 660 173 177 ALA H H 8.9597 0.01 1 661 173 177 ALA CA C 50.6128 0.2 1 662 173 177 ALA CB C 20.9776 0.2 1 663 173 177 ALA N N 125.7196 0.2 1 664 174 178 ALA H H 8.5121 0.01 1 665 174 178 ALA CA C 51.9344 0.2 1 666 174 178 ALA CB C 19.6656 0.2 1 667 174 178 ALA N N 121.2834 0.2 1 668 175 179 THR H H 7.3674 0.01 1 669 175 179 THR N N 104.5823 0.2 1 670 176 180 ARG CA C 58.8356 0.2 1 671 176 180 ARG CB C 28.4822 0.2 1 672 177 181 THR H H 8.1467 0.01 1 673 177 181 THR CA C 64.9611 0.2 1 674 177 181 THR CB C 68.0913 0.2 1 675 177 181 THR N N 114.1022 0.2 1 676 178 182 GLN H H 7.8260 0.01 1 677 178 182 GLN CA C 57.5764 0.2 1 678 178 182 GLN CB C 28.2130 0.2 1 679 178 182 GLN N N 120.9344 0.2 1 680 179 183 ALA H H 8.2047 0.01 1 681 179 183 ALA CA C 54.4089 0.2 1 682 179 183 ALA CB C 17.5282 0.2 1 683 179 183 ALA N N 122.9340 0.2 1 684 180 184 GLN H H 8.0712 0.01 1 685 180 184 GLN CA C 57.9951 0.2 1 686 180 184 GLN N N 116.5300 0.2 1 687 181 185 GLU H H 7.8964 0.01 1 688 181 185 GLU CA C 58.0460 0.2 1 689 181 185 GLU CB C 28.8001 0.2 1 690 181 185 GLU N N 119.1606 0.2 1 691 182 186 ALA H H 7.8738 0.01 1 692 182 186 ALA CA C 54.0344 0.2 1 693 182 186 ALA CB C 17.7557 0.2 1 694 182 186 ALA N N 121.8106 0.2 1 695 183 187 VAL H H 7.9400 0.01 1 696 183 187 VAL CA C 63.2439 0.2 1 697 183 187 VAL CB C 30.8776 0.2 1 698 183 187 VAL N N 116.2162 0.2 1 699 184 188 ALA H H 7.6026 0.01 1 700 184 188 ALA CA C 53.3787 0.2 1 701 184 188 ALA CB C 17.6235 0.2 1 702 184 188 ALA N N 122.1974 0.2 1 703 185 189 LYS H H 7.7084 0.01 1 704 185 189 LYS CA C 57.3359 0.2 1 705 185 189 LYS CB C 32.3865 0.2 1 706 185 189 LYS N N 117.2438 0.2 1 707 186 190 GLU H H 7.9527 0.01 1 708 186 190 GLU CA C 55.4641 0.2 1 709 186 190 GLU CB C 30.6328 0.2 1 710 186 190 GLU N N 118.7738 0.2 1 711 187 191 LYS H H 8.3712 0.01 1 712 187 191 LYS CA C 55.3724 0.2 1 713 187 191 LYS N N 123.8177 0.2 1 714 188 192 PRO CA C 61.7800 0.2 1 715 188 192 PRO CB C 31.5423 0.2 1 716 189 193 GLY H H 8.8636 0.01 1 717 189 193 GLY CA C 44.8056 0.2 1 718 189 193 GLY N N 107.8659 0.2 1 719 190 194 LEU H H 7.2608 0.01 1 720 190 194 LEU CA C 54.1112 0.2 1 721 190 194 LEU CB C 44.8669 0.2 1 722 190 194 LEU N N 115.6791 0.2 1 723 191 195 VAL H H 8.2420 0.01 1 724 191 195 VAL CA C 59.8005 0.2 1 725 191 195 VAL CB C 33.3591 0.2 1 726 191 195 VAL N N 124.0305 0.2 1 727 192 196 LEU H H 8.7512 0.01 1 728 192 196 LEU CA C 52.6853 0.2 1 729 192 196 LEU CB C 43.4123 0.2 1 730 192 196 LEU N N 127.7284 0.2 1 731 195 199 ILE H H 8.2069 0.01 1 732 195 199 ILE CA C 58.4261 0.2 1 733 195 199 ILE CB C 39.0776 0.2 1 734 195 199 ILE N N 120.4894 0.2 1 735 196 200 GLN H H 9.2232 0.01 1 736 196 200 GLN CA C 55.4352 0.2 1 737 196 200 GLN CB C 28.3312 0.2 1 738 196 200 GLN N N 125.8978 0.2 1 739 197 201 LEU H H 8.3337 0.01 1 740 197 201 LEU CA C 53.9472 0.2 1 741 197 201 LEU CB C 41.6332 0.2 1 742 197 201 LEU N N 124.3679 0.2 1 743 198 202 ALA H H 8.6217 0.01 1 744 198 202 ALA CA C 52.0919 0.2 1 745 198 202 ALA CB C 18.4864 0.2 1 746 198 202 ALA N N 125.2159 0.2 1 747 199 203 ASP H H 8.2799 0.01 1 748 199 203 ASP CA C 54.2587 0.2 1 749 199 203 ASP CB C 40.2700 0.2 1 750 199 203 ASP N N 118.7833 0.2 1 751 200 204 GLY H H 8.4069 0.01 1 752 200 204 GLY CA C 45.0361 0.2 1 753 200 204 GLY N N 109.3599 0.2 1 754 201 205 SER H H 8.3648 0.01 1 755 201 205 SER CA C 58.9694 0.2 1 756 201 205 SER CB C 63.1087 0.2 1 757 201 205 SER N N 116.4726 0.2 1 758 202 206 SER H H 8.5245 0.01 1 759 202 206 SER CA C 58.9638 0.2 1 760 202 206 SER CB C 62.8997 0.2 1 761 202 206 SER N N 116.6330 0.2 1 762 203 207 GLY H H 8.2706 0.01 1 763 203 207 GLY CA C 45.7134 0.2 1 764 203 207 GLY N N 110.4842 0.2 1 765 204 208 ILE H H 7.8150 0.01 1 766 204 208 ILE CA C 61.5744 0.2 1 767 204 208 ILE CB C 37.0129 0.2 1 768 204 208 ILE N N 119.4861 0.2 1 769 205 209 ASP H H 8.2878 0.01 1 770 205 209 ASP CA C 55.8593 0.2 1 771 205 209 ASP CB C 39.4996 0.2 1 772 205 209 ASP N N 121.9576 0.2 1 773 206 210 ALA H H 7.8929 0.01 1 774 206 210 ALA CA C 53.8889 0.2 1 775 206 210 ALA CB C 18.0611 0.2 1 776 206 210 ALA N N 121.9576 0.2 1 777 207 211 VAL H H 7.7901 0.01 1 778 207 211 VAL CA C 65.8458 0.2 1 779 207 211 VAL CB C 30.6166 0.2 1 780 207 211 VAL N N 117.6922 0.2 1 781 208 212 GLU H H 8.2701 0.01 1 782 208 212 GLU CA C 59.2624 0.2 1 783 208 212 GLU CB C 28.5280 0.2 1 784 208 212 GLU N N 118.9840 0.2 1 785 209 213 ASP H H 7.9417 0.01 1 786 209 213 ASP CA C 56.5081 0.2 1 787 209 213 ASP CB C 40.7806 0.2 1 788 209 213 ASP N N 118.4506 0.2 1 789 210 214 ILE H H 7.8700 0.01 1 790 210 214 ILE CA C 64.3905 0.2 1 791 210 214 ILE CB C 37.3079 0.2 1 792 210 214 ILE N N 119.1763 0.2 1 793 211 215 LEU H H 8.5095 0.01 1 794 211 215 LEU CA C 57.0683 0.2 1 795 211 215 LEU CB C 40.7296 0.2 1 796 211 215 LEU N N 117.6484 0.2 1 797 212 216 GLY H H 7.8831 0.01 1 798 212 216 GLY CA C 45.2601 0.2 1 799 212 216 GLY N N 103.2278 0.2 1 800 213 217 GLN H H 7.5728 0.01 1 801 213 217 GLN CA C 55.8930 0.2 1 802 213 217 GLN CB C 29.0723 0.2 1 803 213 217 GLN N N 117.9979 0.2 1 804 214 218 PHE H H 7.3506 0.01 1 805 214 218 PHE CA C 56.8832 0.2 1 806 214 218 PHE CB C 41.3368 0.2 1 807 214 218 PHE N N 115.4320 0.2 1 808 215 219 ASP H H 8.8755 0.01 1 809 215 219 ASP CA C 52.9712 0.2 1 810 215 219 ASP CB C 40.0372 0.2 1 811 215 219 ASP N N 120.7995 0.2 1 812 216 220 VAL H H 6.9682 0.01 1 813 216 220 VAL CA C 57.8699 0.2 1 814 216 220 VAL CB C 30.7863 0.2 1 815 216 220 VAL N N 112.7268 0.2 1 816 217 221 PRO CA C 62.8006 0.2 1 817 217 221 PRO CB C 31.4387 0.2 1 818 218 222 VAL H H 7.8929 0.01 1 819 218 222 VAL CA C 59.3237 0.2 1 820 218 222 VAL CB C 33.0294 0.2 1 821 218 222 VAL N N 119.9830 0.2 1 822 219 223 ILE H H 9.0099 0.01 1 823 219 223 ILE CA C 59.4157 0.2 1 824 219 223 ILE N N 126.3957 0.2 1 825 220 224 PHE H H 8.3427 0.01 1 826 220 224 PHE CA C 57.2873 0.2 1 827 220 224 PHE CB C 40.1291 0.2 1 828 220 224 PHE N N 126.7892 0.2 1 829 221 225 ILE H H 8.8626 0.01 1 830 221 225 ILE CA C 58.9898 0.2 1 831 221 225 ILE CB C 38.8290 0.2 1 832 221 225 ILE N N 123.1319 0.2 1 833 222 226 THR H H 8.5094 0.01 1 834 222 226 THR HA H 4.8000 0.01 1 835 222 226 THR HB H 4.2521 0.01 1 836 222 226 THR HG2 H 0.9350 0.01 1 837 222 226 THR CA C 59.0752 0.2 1 838 222 226 THR CB C 68.4538 0.2 1 839 222 226 THR N N 116.9417 0.2 1 840 223 227 ALA H H 8.8004 0.01 1 841 223 227 ALA CA C 52.2322 0.2 1 842 223 227 ALA CB C 18.2963 0.2 1 843 223 227 ALA N N 129.1253 0.2 1 844 224 228 TYR H H 8.3003 0.01 1 845 224 228 TYR CA C 54.0825 0.2 1 846 224 228 TYR CB C 37.7114 0.2 1 847 224 228 TYR N N 116.4226 0.2 1 848 225 229 PRO CA C 65.0422 0.2 1 849 225 229 PRO CB C 30.4595 0.2 1 850 226 230 GLU H H 9.8451 0.01 1 851 226 230 GLU CA C 60.3194 0.2 1 852 226 230 GLU CB C 26.6322 0.2 1 853 226 230 GLU N N 116.0775 0.2 1 854 227 231 ARG H H 7.4339 0.01 1 855 227 231 ARG CA C 57.3884 0.2 1 856 227 231 ARG CB C 29.4735 0.2 1 857 227 231 ARG N N 116.5053 0.2 1 858 228 232 LEU H H 7.7314 0.01 1 859 228 232 LEU CA C 53.0261 0.2 1 860 228 232 LEU CB C 41.8012 0.2 1 861 228 232 LEU N N 117.4859 0.2 1 862 229 233 LEU H H 6.7070 0.01 1 863 229 233 LEU CA C 53.1630 0.2 1 864 229 233 LEU CB C 41.7035 0.2 1 865 229 233 LEU N N 120.6010 0.2 1 866 230 234 THR H H 8.9136 0.01 1 867 230 234 THR CA C 63.7488 0.2 1 868 230 234 THR CB C 70.3050 0.2 1 869 230 234 THR N N 114.9306 0.2 1 870 231 235 GLY H H 10.2751 0.01 1 871 231 235 GLY CA C 44.8016 0.2 1 872 231 235 GLY N N 111.4673 0.2 1 873 232 236 ASP H H 8.3758 0.01 1 874 232 236 ASP CA C 55.0920 0.2 1 875 232 236 ASP CB C 41.1667 0.2 1 876 232 236 ASP N N 118.7665 0.2 1 877 233 237 ARG H H 7.3041 0.01 1 878 233 237 ARG CA C 53.0204 0.2 1 879 233 237 ARG CB C 28.1351 0.2 1 880 233 237 ARG N N 115.5578 0.2 1 881 234 238 PRO CA C 63.8111 0.2 1 882 234 238 PRO CB C 30.1547 0.2 1 883 235 239 GLU H H 8.4033 0.01 1 884 235 239 GLU CA C 52.9488 0.2 1 885 235 239 GLU CB C 33.4650 0.2 1 886 235 239 GLU N N 125.9900 0.2 1 887 236 240 PRO CA C 62.0048 0.2 1 888 236 240 PRO CB C 32.4271 0.2 1 889 237 241 THR H H 8.9205 0.01 1 890 237 241 THR CA C 65.1044 0.2 1 891 237 241 THR CB C 68.7042 0.2 1 892 237 241 THR N N 118.6064 0.2 1 893 238 242 TYR H H 7.1434 0.01 1 894 238 242 TYR CA C 56.2899 0.2 1 895 238 242 TYR CB C 41.0808 0.2 1 896 238 242 TYR N N 114.9719 0.2 1 897 239 243 LEU H H 8.8215 0.01 1 898 239 243 LEU CA C 53.5350 0.2 1 899 239 243 LEU CB C 45.4328 0.2 1 900 239 243 LEU N N 124.3585 0.2 1 901 240 244 VAL H H 9.1681 0.01 1 902 240 244 VAL CA C 59.9548 0.2 1 903 240 244 VAL CB C 34.1695 0.2 1 904 240 244 VAL N N 122.4859 0.2 1 905 241 245 THR H H 8.3735 0.01 1 906 241 245 THR CA C 61.3473 0.2 1 907 241 245 THR CB C 68.9187 0.2 1 908 241 245 THR N N 121.3574 0.2 1 909 242 246 LYS H H 7.3312 0.01 1 910 242 246 LYS CA C 52.2427 0.2 1 911 242 246 LYS CB C 33.3112 0.2 1 912 242 246 LYS N N 122.6141 0.2 1 913 243 247 PRO CA C 61.8491 0.2 1 914 243 247 PRO CB C 33.3163 0.2 1 915 244 248 PHE H H 7.3325 0.01 1 916 244 248 PHE CA C 61.1852 0.2 1 917 244 248 PHE CB C 39.4996 0.2 1 918 244 248 PHE N N 118.5623 0.2 1 919 245 249 GLN H H 8.3346 0.01 1 920 245 249 GLN CA C 53.6050 0.2 1 921 245 249 GLN CB C 29.9786 0.2 1 922 245 249 GLN N N 118.3904 0.2 1 923 246 250 GLU H H 9.4199 0.01 1 924 246 250 GLU CA C 60.8851 0.2 1 925 246 250 GLU CB C 28.7360 0.2 1 926 246 250 GLU N N 125.2139 0.2 1 927 247 251 SER H H 8.8469 0.01 1 928 247 251 SER CA C 60.6348 0.2 1 929 247 251 SER CB C 61.4198 0.2 1 930 247 251 SER N N 112.2086 0.2 1 931 248 252 THR H H 7.3599 0.01 1 932 248 252 THR CA C 65.8845 0.2 1 933 248 252 THR CB C 67.6671 0.2 1 934 248 252 THR N N 118.5378 0.2 1 935 249 253 VAL H H 7.8691 0.01 1 936 249 253 VAL CA C 67.1745 0.2 1 937 249 253 VAL CB C 30.3359 0.2 1 938 249 253 VAL N N 124.1166 0.2 1 939 250 254 ARG H H 8.5566 0.01 1 940 250 254 ARG CA C 59.9078 0.2 1 941 250 254 ARG CB C 29.6861 0.2 1 942 250 254 ARG N N 119.3213 0.2 1 943 251 255 THR H H 7.9775 0.01 1 944 251 255 THR CA C 66.4238 0.2 1 945 251 255 THR CB C 68.3641 0.2 1 946 251 255 THR N N 114.8896 0.2 1 947 252 256 THR H H 7.9169 0.01 1 948 252 256 THR CA C 67.8485 0.2 1 949 252 256 THR CB C 67.4756 0.2 1 950 252 256 THR N N 117.6670 0.2 1 951 253 257 ILE H H 8.2860 0.01 1 952 253 257 ILE CA C 65.9417 0.2 1 953 253 257 ILE CB C 36.7944 0.2 1 954 253 257 ILE N N 120.7142 0.2 1 955 254 258 SER H H 7.2690 0.01 1 956 254 258 SER CA C 61.1632 0.2 1 957 254 258 SER CB C 61.4241 0.2 1 958 254 258 SER N N 108.8909 0.2 1 959 255 259 GLN H H 8.3661 0.01 1 960 255 259 GLN CA C 57.5186 0.2 1 961 255 259 GLN CB C 26.8555 0.2 1 962 255 259 GLN N N 119.9823 0.2 1 963 256 260 ALA H H 7.9690 0.01 1 964 256 260 ALA CA C 53.9534 0.2 1 965 256 260 ALA CB C 16.5967 0.2 1 966 256 260 ALA N N 119.0578 0.2 1 967 257 261 LEU H H 7.7916 0.01 1 968 257 261 LEU CA C 56.0511 0.2 1 969 257 261 LEU CB C 40.1884 0.2 1 970 257 261 LEU N N 115.5876 0.2 1 971 258 262 PHE H H 8.1991 0.01 1 972 258 262 PHE CA C 60.4209 0.2 1 973 258 262 PHE CB C 37.9426 0.2 1 974 258 262 PHE N N 124.0558 0.2 1 975 259 263 PHE H H 7.1460 0.01 1 976 259 263 PHE CA C 59.7618 0.2 1 977 259 263 PHE CB C 38.6087 0.2 1 978 259 263 PHE N N 113.9371 0.2 1 979 260 264 GLN H H 7.7262 0.01 1 980 260 264 GLN CA C 55.9507 0.2 1 981 260 264 GLN CB C 28.6056 0.2 1 982 260 264 GLN N N 118.9136 0.2 1 983 261 265 ASN H H 8.0873 0.01 1 984 261 265 ASN CA C 52.7643 0.2 1 985 261 265 ASN CB C 38.5668 0.2 1 986 261 265 ASN N N 117.7811 0.2 1 987 262 266 SER H H 8.0514 0.01 1 988 262 266 SER CA C 56.4623 0.2 1 989 262 266 SER CB C 62.5585 0.2 1 990 262 266 SER N N 117.5234 0.2 1 991 263 267 PRO CA C 62.9819 0.2 1 992 263 267 PRO CB C 31.2940 0.2 1 993 264 268 THR H H 8.1902 0.01 1 994 264 268 THR CA C 61.3634 0.2 1 995 264 268 THR CB C 69.3706 0.2 1 996 264 268 THR N N 113.9577 0.2 1 997 265 269 ALA H H 8.2439 0.01 1 998 265 269 ALA CA C 52.0977 0.2 1 999 265 269 ALA CB C 18.5562 0.2 1 1000 265 269 ALA N N 127.2262 0.2 1 1001 266 270 VAL H H 7.7065 0.01 1 1002 266 270 VAL CA C 63.0212 0.2 1 1003 266 270 VAL CB C 32.3728 0.2 1 1004 266 270 VAL N N 123.3246 0.2 1 stop_ save_