data_50123 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 13C, and 15N Chemical Shift Assignments for KirBac1.1 ; _BMRB_accession_number 50123 _BMRB_flat_file_name bmr50123.str _Entry_type original _Submission_date 2019-12-11 _Accession_date 2019-12-11 _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 Amani Reza . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "13C chemical shifts" 1311 "15N chemical shifts" 316 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-06-24 update author 'update assignments, etc.' 2020-03-10 update BMRB 'update entry citation' 2019-12-19 original author 'original release' stop_ _Original_release_date 2019-12-12 save_ ############################# # Citation for this entry # ############################# save_citations_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Conformational changes upon gating of KirBac1.1 into an open-activated state revealed by solid-state NMR and functional assays ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31980523 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Amani Reza . . 2 Borcik Collin . . 3 Khan Nazmul . . 4 Versteeg Derek . . 5 Yekefallah Maryam . . 6 Do Hoa . . 7 Coats Heather . . 8 Wylie Benjamin . . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_volume 117 _Journal_issue 6 _Journal_ISSN 1091-6490 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2938 _Page_last 2947 _Year 2020 _Details . save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name '1p7b tetramer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Kirbac1.1, chain 1' $entity_1 'Kirbac1.1, chain 2' $entity_1 'Kirbac1.1, chain 3' $entity_1 'Kirbac1.1, chain 4' $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 reported' loop_ _Biological_function 'potassium channel' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 345 _Mol_residue_sequence ; MNVDPFSPHSSDSFAQAASP ARKPPRGGRRIWSGTREVIA YGMPASVWRDLYYWALKVSW PVFFASLAALFVVNNTLFAL LYQLGDAPIANQSPPGFVGA FFFSVETLATVGYGDMHPQT VYAHAIATLECFVGMSGIAL STGLVFARFARPRAKIMFAR HAIVRPFNGRMTLMVRAANA RQNVIAEARAKMRLMRREHS SEGYSLMKIHDLKLVRNEHP IFLLGWNMMHVIDESSPLFG ETPESLAEGRAMLLVMIEGS DETTAQVMQARHAWEHDDIR WHHRYVDLMSDVDGMTHIDY TRFNDTEPVEPPGAAPDAQA FAAKPGEGDARPVPRGSRSH HHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 ASN 3 3 VAL 4 4 ASP 5 5 PRO 6 6 PHE 7 7 SER 8 8 PRO 9 9 HIS 10 10 SER 11 11 SER 12 12 ASP 13 13 SER 14 14 PHE 15 15 ALA 16 16 GLN 17 17 ALA 18 18 ALA 19 19 SER 20 20 PRO 21 21 ALA 22 22 ARG 23 23 LYS 24 24 PRO 25 25 PRO 26 26 ARG 27 27 GLY 28 28 GLY 29 29 ARG 30 30 ARG 31 31 ILE 32 32 TRP 33 33 SER 34 34 GLY 35 35 THR 36 36 ARG 37 37 GLU 38 38 VAL 39 39 ILE 40 40 ALA 41 41 TYR 42 42 GLY 43 43 MET 44 44 PRO 45 45 ALA 46 46 SER 47 47 VAL 48 48 TRP 49 49 ARG 50 50 ASP 51 51 LEU 52 52 TYR 53 53 TYR 54 54 TRP 55 55 ALA 56 56 LEU 57 57 LYS 58 58 VAL 59 59 SER 60 60 TRP 61 61 PRO 62 62 VAL 63 63 PHE 64 64 PHE 65 65 ALA 66 66 SER 67 67 LEU 68 68 ALA 69 69 ALA 70 70 LEU 71 71 PHE 72 72 VAL 73 73 VAL 74 74 ASN 75 75 ASN 76 76 THR 77 77 LEU 78 78 PHE 79 79 ALA 80 80 LEU 81 81 LEU 82 82 TYR 83 83 GLN 84 84 LEU 85 85 GLY 86 86 ASP 87 87 ALA 88 88 PRO 89 89 ILE 90 90 ALA 91 91 ASN 92 92 GLN 93 93 SER 94 94 PRO 95 95 PRO 96 96 GLY 97 97 PHE 98 98 VAL 99 99 GLY 100 100 ALA 101 101 PHE 102 102 PHE 103 103 PHE 104 104 SER 105 105 VAL 106 106 GLU 107 107 THR 108 108 LEU 109 109 ALA 110 110 THR 111 111 VAL 112 112 GLY 113 113 TYR 114 114 GLY 115 115 ASP 116 116 MET 117 117 HIS 118 118 PRO 119 119 GLN 120 120 THR 121 121 VAL 122 122 TYR 123 123 ALA 124 124 HIS 125 125 ALA 126 126 ILE 127 127 ALA 128 128 THR 129 129 LEU 130 130 GLU 131 131 CYS 132 132 PHE 133 133 VAL 134 134 GLY 135 135 MET 136 136 SER 137 137 GLY 138 138 ILE 139 139 ALA 140 140 LEU 141 141 SER 142 142 THR 143 143 GLY 144 144 LEU 145 145 VAL 146 146 PHE 147 147 ALA 148 148 ARG 149 149 PHE 150 150 ALA 151 151 ARG 152 152 PRO 153 153 ARG 154 154 ALA 155 155 LYS 156 156 ILE 157 157 MET 158 158 PHE 159 159 ALA 160 160 ARG 161 161 HIS 162 162 ALA 163 163 ILE 164 164 VAL 165 165 ARG 166 166 PRO 167 167 PHE 168 168 ASN 169 169 GLY 170 170 ARG 171 171 MET 172 172 THR 173 173 LEU 174 174 MET 175 175 VAL 176 176 ARG 177 177 ALA 178 178 ALA 179 179 ASN 180 180 ALA 181 181 ARG 182 182 GLN 183 183 ASN 184 184 VAL 185 185 ILE 186 186 ALA 187 187 GLU 188 188 ALA 189 189 ARG 190 190 ALA 191 191 LYS 192 192 MET 193 193 ARG 194 194 LEU 195 195 MET 196 196 ARG 197 197 ARG 198 198 GLU 199 199 HIS 200 200 SER 201 201 SER 202 202 GLU 203 203 GLY 204 204 TYR 205 205 SER 206 206 LEU 207 207 MET 208 208 LYS 209 209 ILE 210 210 HIS 211 211 ASP 212 212 LEU 213 213 LYS 214 214 LEU 215 215 VAL 216 216 ARG 217 217 ASN 218 218 GLU 219 219 HIS 220 220 PRO 221 221 ILE 222 222 PHE 223 223 LEU 224 224 LEU 225 225 GLY 226 226 TRP 227 227 ASN 228 228 MET 229 229 MET 230 230 HIS 231 231 VAL 232 232 ILE 233 233 ASP 234 234 GLU 235 235 SER 236 236 SER 237 237 PRO 238 238 LEU 239 239 PHE 240 240 GLY 241 241 GLU 242 242 THR 243 243 PRO 244 244 GLU 245 245 SER 246 246 LEU 247 247 ALA 248 248 GLU 249 249 GLY 250 250 ARG 251 251 ALA 252 252 MET 253 253 LEU 254 254 LEU 255 255 VAL 256 256 MET 257 257 ILE 258 258 GLU 259 259 GLY 260 260 SER 261 261 ASP 262 262 GLU 263 263 THR 264 264 THR 265 265 ALA 266 266 GLN 267 267 VAL 268 268 MET 269 269 GLN 270 270 ALA 271 271 ARG 272 272 HIS 273 273 ALA 274 274 TRP 275 275 GLU 276 276 HIS 277 277 ASP 278 278 ASP 279 279 ILE 280 280 ARG 281 281 TRP 282 282 HIS 283 283 HIS 284 284 ARG 285 285 TYR 286 286 VAL 287 287 ASP 288 288 LEU 289 289 MET 290 290 SER 291 291 ASP 292 292 VAL 293 293 ASP 294 294 GLY 295 295 MET 296 296 THR 297 297 HIS 298 298 ILE 299 299 ASP 300 300 TYR 301 301 THR 302 302 ARG 303 303 PHE 304 304 ASN 305 305 ASP 306 306 THR 307 307 GLU 308 308 PRO 309 309 VAL 310 310 GLU 311 311 PRO 312 312 PRO 313 313 GLY 314 314 ALA 315 315 ALA 316 316 PRO 317 317 ASP 318 318 ALA 319 319 GLN 320 320 ALA 321 321 PHE 322 322 ALA 323 323 ALA 324 324 LYS 325 325 PRO 326 326 GLY 327 327 GLU 328 328 GLY 329 329 ASP 330 330 ALA 331 331 ARG 332 332 PRO 333 333 VAL 334 334 PRO 335 335 ARG 336 336 GLY 337 337 SER 338 338 ARG 339 339 SER 340 340 HIS 341 341 HIS 342 342 HIS 343 343 HIS 344 344 HIS 345 345 HIS 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 'Burkholderia Pseudomallei' 28450 Bacteria . Burkholderia Pseudomallei 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 pQE60 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type micelle _Details ; KirBac1.1 concentration was 25% (w/w) approximately 9mg protein in total, 25% (w/w) lipid composition consisting of 3:2 POPC:POPG approximately 9mg, 50% (w/w) water approximately 18mg. ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 25 % '[U-13C; U-15N]' H2O 55.55 M 'natural abundance' POPC 66 % 'natural abundance' POPG 33 % 'natural abundance' KCl 50 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer JEOL _Model ASC _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_NCACX_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NCACX' _Sample_label $sample_1 save_ save_3D_NCOCX_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NCOCX' _Sample_label $sample_1 save_ save_3D_CANcoCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CANcoCA' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details 'POPC:POPG lipid bilayer' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 7.5 . pH pressure 1 . atm temperature 293 . 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 adamantane C 13 'methyl carbon' ppm 40.48 external direct . . . 1 adamantane N 15 'methyl carbon' ppm 40.48 external indirect . . . 0.403163 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_ _Experiment_label '3D NCACX' '3D NCOCX' '3D CANcoCA' 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 'Kirbac1.1, chain 1' _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 ASN C C 178.309 0.1 . 2 2 2 ASN CA C 55.603 0.1 . 3 2 2 ASN CB C 37.657 0.1 . 4 2 2 ASN CG C 175.480 0.1 . 5 2 2 ASN N N 117.209 0.1 . 6 3 3 VAL C C 177.103 0.1 . 7 3 3 VAL CA C 65.813 0.1 . 8 3 3 VAL CB C 32.587 0.1 . 9 3 3 VAL CG1 C 22.381 0.1 . 10 3 3 VAL CG2 C 21.299 0.1 . 11 3 3 VAL N N 115.600 0.1 . 12 4 4 ASP C C 174.257 0.1 . 13 4 4 ASP CA C 55.163 0.1 . 14 4 4 ASP CB C 37.310 0.1 . 15 4 4 ASP N N 116.516 0.1 . 16 5 5 PRO C C 176.906 0.1 . 17 5 5 PRO CA C 66.800 0.1 . 18 5 5 PRO CB C 30.405 0.1 . 19 5 5 PRO CG C 28.000 0.1 . 20 5 5 PRO CD C 52.581 0.1 . 21 5 5 PRO N N 130.005 0.1 . 22 6 6 PHE C C 178.778 0.1 . 23 6 6 PHE CA C 59.023 0.1 . 24 6 6 PHE CB C 36.984 0.1 . 25 6 6 PHE CG C 138.572 0.1 . 26 6 6 PHE N N 119.125 0.1 . 27 7 7 SER C C 175.778 0.1 . 28 7 7 SER CA C 62.200 0.1 . 29 7 7 SER CB C 62.908 0.1 . 30 7 7 SER N N 122.996 0.1 . 31 8 8 PRO C C 176.024 0.1 . 32 8 8 PRO CA C 62.615 0.1 . 33 8 8 PRO CB C 31.810 0.1 . 34 8 8 PRO CG C 27.646 0.1 . 35 8 8 PRO CD C 51.796 0.1 . 36 8 8 PRO N N 130.275 0.1 . 37 9 9 HIS C C 176.001 0.1 . 38 9 9 HIS CA C 55.608 0.1 . 39 9 9 HIS CB C 31.946 0.1 . 40 9 9 HIS CG C 135.094 0.1 . 41 9 9 HIS N N 122.895 0.1 . 42 10 10 SER C C 175.589 0.1 . 43 10 10 SER CA C 54.138 0.1 . 44 10 10 SER CB C 63.008 0.1 . 45 10 10 SER N N 123.394 0.1 . 46 11 11 SER C C 175.813 0.1 . 47 11 11 SER CA C 54.303 0.1 . 48 11 11 SER CB C 64.690 0.1 . 49 11 11 SER N N 125.201 0.1 . 50 12 12 ASP C C 174.210 0.1 . 51 12 12 ASP CA C 54.199 0.1 . 52 12 12 ASP CB C 41.332 0.1 . 53 12 12 ASP CG C 179.439 0.1 . 54 12 12 ASP N N 121.503 0.1 . 55 13 13 SER C C 175.912 0.1 . 56 13 13 SER CA C 60.299 0.1 . 57 13 13 SER CB C 61.014 0.1 . 58 13 13 SER N N 124.701 0.1 . 59 14 14 PHE C C 174.600 0.1 . 60 14 14 PHE CA C 60.102 0.1 . 61 14 14 PHE CB C 40.990 0.1 . 62 14 14 PHE CG C 139.013 0.1 . 63 14 14 PHE N N 119.889 0.1 . 64 15 15 ALA C C 173.591 0.1 . 65 15 15 ALA CA C 54.690 0.1 . 66 15 15 ALA CB C 17.425 0.1 . 67 15 15 ALA N N 122.498 0.1 . 68 16 16 GLN C C 173.998 0.1 . 69 16 16 GLN CA C 59.299 0.1 . 70 16 16 GLN CB C 28.021 0.1 . 71 16 16 GLN CG C 35.572 0.1 . 72 16 16 GLN CD C 176.776 0.1 . 73 16 16 GLN N N 117.916 0.1 . 74 17 17 ALA C C 179.520 0.1 . 75 17 17 ALA CA C 51.805 0.1 . 76 17 17 ALA CB C 19.035 0.1 . 77 17 17 ALA N N 126.995 0.1 . 78 18 18 ALA C C 180.386 0.1 . 79 18 18 ALA CA C 55.507 0.1 . 80 18 18 ALA CB C 22.178 0.1 . 81 18 18 ALA N N 120.291 0.1 . 82 19 19 SER C C 178.462 0.1 . 83 19 19 SER CA C 63.004 0.1 . 84 19 19 SER CB C 63.522 0.1 . 85 19 19 SER N N 115.584 0.1 . 86 20 20 PRO C C 178.504 0.1 . 87 20 20 PRO CA C 64.511 0.1 . 88 20 20 PRO CB C 31.515 0.1 . 89 20 20 PRO CG C 27.000 0.1 . 90 20 20 PRO CD C 51.488 0.1 . 91 20 20 PRO N N 130.475 0.1 . 92 21 21 ALA C C 174.481 0.1 . 93 21 21 ALA CA C 55.299 0.1 . 94 21 21 ALA CB C 18.503 0.1 . 95 21 21 ALA N N 122.402 0.1 . 96 22 22 ARG C C 175.412 0.1 . 97 22 22 ARG CA C 55.408 0.1 . 98 22 22 ARG CB C 31.785 0.1 . 99 22 22 ARG CG C 25.815 0.1 . 100 22 22 ARG CD C 43.905 0.1 . 101 22 22 ARG N N 117.389 0.1 . 102 23 23 LYS CA C 56.011 0.1 . 103 23 23 LYS CB C 31.694 0.1 . 104 23 23 LYS CG C 27.404 0.1 . 105 23 23 LYS N N 117.490 0.1 . 106 24 24 PRO CA C 62.078 0.1 . 107 24 24 PRO N N 138.126 0.1 . 108 25 25 PRO C C 174.995 0.1 . 109 25 25 PRO CA C 61.735 0.1 . 110 25 25 PRO CB C 30.060 0.1 . 111 25 25 PRO CG C 28.232 0.1 . 112 25 25 PRO CD C 49.880 0.1 . 113 25 25 PRO N N 130.426 0.1 . 114 26 26 ARG C C 177.609 0.1 . 115 26 26 ARG CA C 54.603 0.1 . 116 26 26 ARG CB C 31.616 0.1 . 117 26 26 ARG CG C 27.315 0.1 . 118 26 26 ARG CD C 42.915 0.1 . 119 26 26 ARG N N 126.627 0.1 . 120 27 27 GLY C C 176.378 0.1 . 121 27 27 GLY CA C 47.551 0.1 . 122 27 27 GLY N N 107.461 0.1 . 123 28 28 GLY C C 175.865 0.1 . 124 28 28 GLY CA C 47.665 0.1 . 125 28 28 GLY N N 107.792 0.1 . 126 29 29 ARG C C 176.180 0.1 . 127 29 29 ARG CA C 58.886 0.1 . 128 29 29 ARG CB C 32.718 0.1 . 129 29 29 ARG CG C 27.249 0.1 . 130 29 29 ARG CD C 42.300 0.1 . 131 29 29 ARG N N 124.330 0.1 . 132 30 30 ARG C C 176.101 0.1 . 133 30 30 ARG CA C 58.399 0.1 . 134 30 30 ARG CB C 32.216 0.1 . 135 30 30 ARG CG C 27.541 0.1 . 136 30 30 ARG CD C 41.330 0.1 . 137 30 30 ARG N N 117.605 0.1 . 138 31 31 ILE C C 178.819 0.1 . 139 31 31 ILE CA C 58.900 0.1 . 140 31 31 ILE CB C 40.344 0.1 . 141 31 31 ILE CG1 C 27.473 0.1 . 142 31 31 ILE CG2 C 17.410 0.1 . 143 31 31 ILE CD1 C 14.141 0.1 . 144 31 31 ILE N N 125.707 0.1 . 145 32 32 TRP C C 178.814 0.1 . 146 32 32 TRP CA C 57.001 0.1 . 147 32 32 TRP CB C 31.809 0.1 . 148 32 32 TRP CG C 112.784 0.1 . 149 32 32 TRP N N 120.702 0.1 . 150 33 33 SER C C 175.603 0.1 . 151 33 33 SER CA C 58.007 0.1 . 152 33 33 SER CB C 65.029 0.1 . 153 33 33 SER N N 116.912 0.1 . 154 34 34 GLY C C 171.520 0.1 . 155 34 34 GLY CA C 44.497 0.1 . 156 34 34 GLY N N 111.407 0.1 . 157 35 35 THR C C 177.295 0.1 . 158 35 35 THR CA C 57.494 0.1 . 159 35 35 THR CB C 65.647 0.1 . 160 35 35 THR CG2 C 22.304 0.1 . 161 35 35 THR N N 121.226 0.1 . 162 36 36 ARG C C 175.881 0.1 . 163 36 36 ARG CA C 58.500 0.1 . 164 36 36 ARG CB C 29.799 0.1 . 165 36 36 ARG CG C 26.509 0.1 . 166 36 36 ARG CD C 41.388 0.1 . 167 36 36 ARG N N 120.494 0.1 . 168 37 37 GLU C C 176.491 0.1 . 169 37 37 GLU CA C 58.502 0.1 . 170 37 37 GLU CB C 29.719 0.1 . 171 37 37 GLU CG C 33.383 0.1 . 172 37 37 GLU CD C 182.286 0.1 . 173 37 37 GLU N N 120.002 0.1 . 174 38 38 VAL C C 177.892 0.1 . 175 38 38 VAL CA C 66.405 0.1 . 176 38 38 VAL CB C 31.128 0.1 . 177 38 38 VAL CG1 C 23.867 0.1 . 178 38 38 VAL CG2 C 22.199 0.1 . 179 38 38 VAL N N 119.999 0.1 . 180 39 39 ILE C C 177.508 0.1 . 181 39 39 ILE CA C 67.171 0.1 . 182 39 39 ILE CB C 37.770 0.1 . 183 39 39 ILE CG2 C 17.846 0.1 . 184 39 39 ILE CD1 C 13.655 0.1 . 185 39 39 ILE N N 119.002 0.1 . 186 40 40 ALA C C 179.009 0.1 . 187 40 40 ALA CA C 54.936 0.1 . 188 40 40 ALA CB C 17.855 0.1 . 189 40 40 ALA N N 122.211 0.1 . 190 41 41 TYR C C 176.213 0.1 . 191 41 41 TYR CA C 58.293 0.1 . 192 41 41 TYR CB C 36.695 0.1 . 193 41 41 TYR CG C 131.021 0.1 . 194 41 41 TYR N N 122.197 0.1 . 195 42 42 GLY C C 174.424 0.1 . 196 42 42 GLY CA C 47.408 0.1 . 197 42 42 GLY N N 106.615 0.1 . 198 43 43 MET CA C 55.001 0.1 . 199 43 43 MET CB C 34.869 0.1 . 200 43 43 MET CG C 29.904 0.1 . 201 43 43 MET CE C 17.359 0.1 . 202 43 43 MET N N 122.203 0.1 . 203 44 44 PRO C C 176.809 0.1 . 204 44 44 PRO CA C 63.409 0.1 . 205 44 44 PRO CB C 31.278 0.1 . 206 44 44 PRO CG C 27.051 0.1 . 207 44 44 PRO CD C 52.150 0.1 . 208 44 44 PRO N N 137.182 0.1 . 209 45 45 ALA C C 179.393 0.1 . 210 45 45 ALA CA C 55.905 0.1 . 211 45 45 ALA CB C 18.111 0.1 . 212 45 45 ALA N N 123.103 0.1 . 213 46 46 SER C C 177.910 0.1 . 214 46 46 SER CA C 62.012 0.1 . 215 46 46 SER CB C 62.353 0.1 . 216 46 46 SER N N 119.103 0.1 . 217 47 47 VAL C C 177.385 0.1 . 218 47 47 VAL CA C 67.300 0.1 . 219 47 47 VAL CB C 31.405 0.1 . 220 47 47 VAL CG1 C 23.517 0.1 . 221 47 47 VAL CG2 C 21.310 0.1 . 222 47 47 VAL N N 122.789 0.1 . 223 48 48 TRP C C 180.197 0.1 . 224 48 48 TRP CA C 61.746 0.1 . 225 48 48 TRP CB C 27.937 0.1 . 226 48 48 TRP CG C 111.606 0.1 . 227 48 48 TRP N N 121.402 0.1 . 228 49 49 ARG C C 177.703 0.1 . 229 49 49 ARG CA C 58.799 0.1 . 230 49 49 ARG CB C 29.012 0.1 . 231 49 49 ARG CG C 28.190 0.1 . 232 49 49 ARG CD C 43.102 0.1 . 233 49 49 ARG N N 117.804 0.1 . 234 50 50 ASP C C 175.189 0.1 . 235 50 50 ASP CA C 56.300 0.1 . 236 50 50 ASP CB C 37.602 0.1 . 237 50 50 ASP CG C 178.129 0.1 . 238 50 50 ASP N N 118.887 0.1 . 239 51 51 LEU C C 177.987 0.1 . 240 51 51 LEU CA C 58.013 0.1 . 241 51 51 LEU CB C 39.443 0.1 . 242 51 51 LEU CG C 26.481 0.1 . 243 51 51 LEU CD1 C 24.120 0.1 . 244 51 51 LEU CD2 C 23.290 0.1 . 245 51 51 LEU N N 117.897 0.1 . 246 52 52 TYR C C 175.704 0.1 . 247 52 52 TYR CA C 61.704 0.1 . 248 52 52 TYR CB C 37.806 0.1 . 249 52 52 TYR N N 120.305 0.1 . 250 53 53 TYR C C 179.007 0.1 . 251 53 53 TYR CA C 61.698 0.1 . 252 53 53 TYR CB C 38.007 0.1 . 253 53 53 TYR CG C 128.322 0.1 . 254 53 53 TYR N N 120.795 0.1 . 255 54 54 TRP C C 173.826 0.1 . 256 54 54 TRP CA C 61.331 0.1 . 257 54 54 TRP CB C 27.928 0.1 . 258 54 54 TRP CG C 107.704 0.1 . 259 54 54 TRP N N 119.907 0.1 . 260 55 55 ALA C C 178.989 0.1 . 261 55 55 ALA CA C 55.604 0.1 . 262 55 55 ALA CB C 18.318 0.1 . 263 55 55 ALA N N 127.298 0.1 . 264 56 56 LEU C C 180.187 0.1 . 265 56 56 LEU CA C 58.004 0.1 . 266 56 56 LEU CB C 39.308 0.1 . 267 56 56 LEU CG C 26.907 0.1 . 268 56 56 LEU CD1 C 24.215 0.1 . 269 56 56 LEU CD2 C 22.922 0.1 . 270 56 56 LEU N N 118.104 0.1 . 271 57 57 LYS C C 176.691 0.1 . 272 57 57 LYS CA C 58.405 0.1 . 273 57 57 LYS CB C 31.108 0.1 . 274 57 57 LYS CG C 27.394 0.1 . 275 57 57 LYS N N 120.801 0.1 . 276 58 58 VAL C C 177.289 0.1 . 277 58 58 VAL CA C 65.703 0.1 . 278 58 58 VAL CB C 31.231 0.1 . 279 58 58 VAL CG1 C 23.075 0.1 . 280 58 58 VAL CG2 C 21.658 0.1 . 281 58 58 VAL N N 121.961 0.1 . 282 59 59 SER C C 175.719 0.1 . 283 59 59 SER CA C 63.026 0.1 . 284 59 59 SER CB C 63.620 0.1 . 285 59 59 SER N N 115.202 0.1 . 286 60 60 TRP CA C 59.942 0.1 . 287 60 60 TRP CB C 28.301 0.1 . 288 60 60 TRP CG C 112.180 0.1 . 289 60 60 TRP N N 120.402 0.1 . 290 61 61 PRO C C 177.052 0.1 . 291 61 61 PRO CA C 65.741 0.1 . 292 61 61 PRO CB C 31.600 0.1 . 293 61 61 PRO CG C 28.032 0.1 . 294 61 61 PRO CD C 50.400 0.1 . 295 61 61 PRO N N 130.761 0.1 . 296 62 62 VAL C C 177.283 0.1 . 297 62 62 VAL CA C 68.201 0.1 . 298 62 62 VAL CB C 31.114 0.1 . 299 62 62 VAL CG1 C 22.514 0.1 . 300 62 62 VAL CG2 C 21.527 0.1 . 301 62 62 VAL N N 120.390 0.1 . 302 63 63 PHE C C 176.006 0.1 . 303 63 63 PHE CA C 62.698 0.1 . 304 63 63 PHE CB C 38.620 0.1 . 305 63 63 PHE N N 120.025 0.1 . 306 64 64 PHE C C 175.919 0.1 . 307 64 64 PHE CA C 62.501 0.1 . 308 64 64 PHE CB C 38.813 0.1 . 309 64 64 PHE N N 116.703 0.1 . 310 65 65 ALA C C 178.893 0.1 . 311 65 65 ALA CA C 55.606 0.1 . 312 65 65 ALA CB C 17.346 0.1 . 313 65 65 ALA N N 117.224 0.1 . 314 66 66 SER C C 176.079 0.1 . 315 66 66 SER CA C 62.707 0.1 . 316 66 66 SER CB C 63.112 0.1 . 317 66 66 SER N N 115.694 0.1 . 318 67 67 LEU C C 175.411 0.1 . 319 67 67 LEU CA C 57.995 0.1 . 320 67 67 LEU CB C 41.527 0.1 . 321 67 67 LEU CG C 25.806 0.1 . 322 67 67 LEU CD1 C 23.316 0.1 . 323 67 67 LEU CD2 C 22.215 0.1 . 324 67 67 LEU N N 122.405 0.1 . 325 68 68 ALA C C 178.111 0.1 . 326 68 68 ALA CA C 55.714 0.1 . 327 68 68 ALA CB C 18.022 0.1 . 328 68 68 ALA N N 123.101 0.1 . 329 69 69 ALA C C 180.006 0.1 . 330 69 69 ALA CA C 55.808 0.1 . 331 69 69 ALA CB C 18.605 0.1 . 332 69 69 ALA N N 123.210 0.1 . 333 70 70 LEU C C 174.906 0.1 . 334 70 70 LEU CA C 57.803 0.1 . 335 70 70 LEU CB C 41.019 0.1 . 336 70 70 LEU CG C 26.316 0.1 . 337 70 70 LEU CD1 C 23.502 0.1 . 338 70 70 LEU CD2 C 22.524 0.1 . 339 70 70 LEU N N 120.808 0.1 . 340 71 71 PHE C C 176.197 0.1 . 341 71 71 PHE CA C 62.507 0.1 . 342 71 71 PHE CB C 38.620 0.1 . 343 71 71 PHE N N 119.721 0.1 . 344 72 72 VAL C C 178.001 0.1 . 345 72 72 VAL CA C 67.441 0.1 . 346 72 72 VAL CB C 31.439 0.1 . 347 72 72 VAL CG1 C 23.508 0.1 . 348 72 72 VAL CG2 C 21.837 0.1 . 349 72 72 VAL N N 118.944 0.1 . 350 73 73 VAL C C 175.912 0.1 . 351 73 73 VAL CA C 67.739 0.1 . 352 73 73 VAL CB C 31.459 0.1 . 353 73 73 VAL CG1 C 23.593 0.1 . 354 73 73 VAL CG2 C 22.007 0.1 . 355 73 73 VAL N N 118.786 0.1 . 356 74 74 ASN C C 177.892 0.1 . 357 74 74 ASN CA C 58.359 0.1 . 358 74 74 ASN CB C 39.460 0.1 . 359 74 74 ASN CG C 176.369 0.1 . 360 74 74 ASN N N 120.304 0.1 . 361 75 75 ASN C C 179.304 0.1 . 362 75 75 ASN CA C 55.696 0.1 . 363 75 75 ASN CB C 36.725 0.1 . 364 75 75 ASN CG C 177.712 0.1 . 365 75 75 ASN N N 121.096 0.1 . 366 76 76 THR C C 175.899 0.1 . 367 76 76 THR CA C 67.090 0.1 . 368 76 76 THR CB C 68.357 0.1 . 369 76 76 THR CG2 C 21.029 0.1 . 370 76 76 THR N N 118.804 0.1 . 371 77 77 LEU C C 178.604 0.1 . 372 77 77 LEU CA C 58.044 0.1 . 373 77 77 LEU CB C 41.410 0.1 . 374 77 77 LEU CG C 26.407 0.1 . 375 77 77 LEU CD1 C 23.103 0.1 . 376 77 77 LEU CD2 C 21.532 0.1 . 377 77 77 LEU N N 119.517 0.1 . 378 78 78 PHE C C 178.716 0.1 . 379 78 78 PHE CA C 59.999 0.1 . 380 78 78 PHE CB C 38.111 0.1 . 381 78 78 PHE N N 115.691 0.1 . 382 79 79 ALA C C 180.786 0.1 . 383 79 79 ALA CA C 55.631 0.1 . 384 79 79 ALA CB C 18.101 0.1 . 385 79 79 ALA N N 122.789 0.1 . 386 80 80 LEU C C 176.226 0.1 . 387 80 80 LEU CA C 57.703 0.1 . 388 80 80 LEU CB C 41.514 0.1 . 389 80 80 LEU CG C 26.196 0.1 . 390 80 80 LEU CD1 C 24.102 0.1 . 391 80 80 LEU CD2 C 23.004 0.1 . 392 80 80 LEU N N 119.108 0.1 . 393 81 81 LEU C C 177.907 0.1 . 394 81 81 LEU CA C 57.707 0.1 . 395 81 81 LEU CB C 39.508 0.1 . 396 81 81 LEU CG C 25.717 0.1 . 397 81 81 LEU CD1 C 24.201 0.1 . 398 81 81 LEU CD2 C 22.898 0.1 . 399 81 81 LEU N N 118.697 0.1 . 400 82 82 TYR C C 177.903 0.1 . 401 82 82 TYR CA C 60.999 0.1 . 402 82 82 TYR CB C 37.814 0.1 . 403 82 82 TYR CG C 129.325 0.1 . 404 82 82 TYR N N 119.607 0.1 . 405 83 83 GLN C C 176.079 0.1 . 406 83 83 GLN CA C 57.105 0.1 . 407 83 83 GLN CB C 31.489 0.1 . 408 83 83 GLN CG C 32.828 0.1 . 409 83 83 GLN CD C 179.481 0.1 . 410 83 83 GLN N N 120.013 0.1 . 411 84 84 LEU C C 179.100 0.1 . 412 84 84 LEU CA C 57.210 0.1 . 413 84 84 LEU CB C 41.614 0.1 . 414 84 84 LEU CG C 26.203 0.1 . 415 84 84 LEU N N 122.213 0.1 . 416 85 85 GLY C C 174.306 0.1 . 417 85 85 GLY CA C 46.240 0.1 . 418 85 85 GLY N N 107.389 0.1 . 419 86 86 ASP C C 174.992 0.1 . 420 86 86 ASP CA C 54.384 0.1 . 421 86 86 ASP CB C 39.968 0.1 . 422 86 86 ASP CG C 180.730 0.1 . 423 86 86 ASP N N 123.099 0.1 . 424 87 87 ALA C C 171.983 0.1 . 425 87 87 ALA CA C 54.368 0.1 . 426 87 87 ALA CB C 17.895 0.1 . 427 87 87 ALA N N 120.900 0.1 . 428 88 88 PRO C C 176.604 0.1 . 429 88 88 PRO CA C 62.200 0.1 . 430 88 88 PRO CB C 31.111 0.1 . 431 88 88 PRO CG C 25.894 0.1 . 432 88 88 PRO CD C 50.602 0.1 . 433 88 88 PRO N N 134.341 0.1 . 434 89 89 ILE C C 175.503 0.1 . 435 89 89 ILE CA C 58.331 0.1 . 436 89 89 ILE CB C 41.005 0.1 . 437 89 89 ILE CG1 C 27.697 0.1 . 438 89 89 ILE CG2 C 17.106 0.1 . 439 89 89 ILE CD1 C 13.105 0.1 . 440 89 89 ILE N N 117.409 0.1 . 441 90 90 ALA C C 175.934 0.1 . 442 90 90 ALA CA C 52.112 0.1 . 443 90 90 ALA CB C 18.437 0.1 . 444 90 90 ALA N N 130.688 0.1 . 445 91 91 ASN C C 174.602 0.1 . 446 91 91 ASN CA C 53.396 0.1 . 447 91 91 ASN CB C 36.811 0.1 . 448 91 91 ASN CG C 178.515 0.1 . 449 91 91 ASN N N 113.535 0.1 . 450 92 92 GLN C C 176.656 0.1 . 451 92 92 GLN CA C 58.779 0.1 . 452 92 92 GLN CB C 26.709 0.1 . 453 92 92 GLN CG C 33.831 0.1 . 454 92 92 GLN CD C 179.773 0.1 . 455 92 92 GLN N N 117.886 0.1 . 456 93 93 SER C C 175.595 0.1 . 457 93 93 SER CA C 58.426 0.1 . 458 93 93 SER CB C 66.514 0.1 . 459 93 93 SER N N 118.560 0.1 . 460 94 94 PRO C C 175.300 0.1 . 461 94 94 PRO CA C 64.603 0.1 . 462 94 94 PRO N N 131.375 0.1 . 463 95 95 PRO C C 179.099 0.1 . 464 95 95 PRO CA C 60.026 0.1 . 465 95 95 PRO CB C 33.129 0.1 . 466 95 95 PRO CG C 26.715 0.1 . 467 95 95 PRO N N 131.075 0.1 . 468 96 96 GLY C C 175.896 0.1 . 469 96 96 GLY CA C 46.508 0.1 . 470 96 96 GLY N N 102.223 0.1 . 471 97 97 PHE C C 178.730 0.1 . 472 97 97 PHE CA C 58.712 0.1 . 473 97 97 PHE CB C 41.764 0.1 . 474 97 97 PHE N N 125.029 0.1 . 475 98 98 VAL C C 177.493 0.1 . 476 98 98 VAL CA C 67.194 0.1 . 477 98 98 VAL CB C 31.785 0.1 . 478 98 98 VAL CG1 C 23.995 0.1 . 479 98 98 VAL CG2 C 21.807 0.1 . 480 98 98 VAL N N 118.000 0.1 . 481 99 99 GLY C C 175.307 0.1 . 482 99 99 GLY CA C 48.201 0.1 . 483 99 99 GLY N N 109.010 0.1 . 484 100 100 ALA C C 177.192 0.1 . 485 100 100 ALA CA C 55.103 0.1 . 486 100 100 ALA CB C 18.340 0.1 . 487 100 100 ALA N N 123.002 0.1 . 488 101 101 PHE C C 178.218 0.1 . 489 101 101 PHE CA C 61.507 0.1 . 490 101 101 PHE CB C 37.707 0.1 . 491 101 101 PHE CD1 C 131.896 0.1 . 492 101 101 PHE N N 119.830 0.1 . 493 102 102 PHE C C 176.715 0.1 . 494 102 102 PHE CA C 61.600 0.1 . 495 102 102 PHE CB C 38.202 0.1 . 496 102 102 PHE CD1 C 130.579 0.1 . 497 102 102 PHE N N 122.000 0.1 . 498 103 103 PHE C C 176.512 0.1 . 499 103 103 PHE CA C 61.801 0.1 . 500 103 103 PHE CB C 39.201 0.1 . 501 103 103 PHE CD1 C 129.078 0.1 . 502 103 103 PHE N N 121.213 0.1 . 503 104 104 SER C C 177.104 0.1 . 504 104 104 SER CA C 61.605 0.1 . 505 104 104 SER CB C 61.992 0.1 . 506 104 104 SER N N 118.999 0.1 . 507 105 105 VAL C C 177.699 0.1 . 508 105 105 VAL CA C 65.502 0.1 . 509 105 105 VAL CB C 30.604 0.1 . 510 105 105 VAL CG1 C 22.060 0.1 . 511 105 105 VAL CG2 C 21.528 0.1 . 512 105 105 VAL N N 117.612 0.1 . 513 106 106 GLU C C 174.146 0.1 . 514 106 106 GLU CA C 58.510 0.1 . 515 106 106 GLU CB C 29.202 0.1 . 516 106 106 GLU CG C 38.026 0.1 . 517 106 106 GLU CD C 182.176 0.1 . 518 106 106 GLU N N 119.109 0.1 . 519 107 107 THR C C 176.407 0.1 . 520 107 107 THR CA C 62.442 0.1 . 521 107 107 THR CB C 69.376 0.1 . 522 107 107 THR CG2 C 20.752 0.1 . 523 107 107 THR N N 109.801 0.1 . 524 108 108 LEU C C 175.496 0.1 . 525 108 108 LEU CA C 58.217 0.1 . 526 108 108 LEU CB C 40.914 0.1 . 527 108 108 LEU CG C 26.620 0.1 . 528 108 108 LEU CD1 C 24.414 0.1 . 529 108 108 LEU CD2 C 22.214 0.1 . 530 108 108 LEU N N 122.603 0.1 . 531 109 109 ALA C C 176.219 0.1 . 532 109 109 ALA CA C 52.025 0.1 . 533 109 109 ALA CB C 18.015 0.1 . 534 109 109 ALA N N 130.910 0.1 . 535 110 110 THR C C 172.490 0.1 . 536 110 110 THR CA C 63.515 0.1 . 537 110 110 THR CB C 69.550 0.1 . 538 110 110 THR CG2 C 21.013 0.1 . 539 110 110 THR N N 109.335 0.1 . 540 111 111 VAL C C 179.307 0.1 . 541 111 111 VAL CA C 65.451 0.1 . 542 111 111 VAL CB C 33.346 0.1 . 543 111 111 VAL CG1 C 21.129 0.1 . 544 111 111 VAL CG2 C 20.504 0.1 . 545 111 111 VAL N N 120.813 0.1 . 546 112 112 GLY C C 175.143 0.1 . 547 112 112 GLY CA C 48.425 0.1 . 548 112 112 GLY N N 102.176 0.1 . 549 113 113 TYR C C 179.466 0.1 . 550 113 113 TYR CA C 60.515 0.1 . 551 113 113 TYR CB C 37.472 0.1 . 552 113 113 TYR N N 118.089 0.1 . 553 114 114 GLY C C 173.700 0.1 . 554 114 114 GLY CA C 46.607 0.1 . 555 114 114 GLY N N 102.476 0.1 . 556 115 115 ASP C C 178.910 0.1 . 557 115 115 ASP CA C 55.701 0.1 . 558 115 115 ASP CB C 40.035 0.1 . 559 115 115 ASP CG C 176.878 0.1 . 560 115 115 ASP N N 119.195 0.1 . 561 116 116 MET C C 178.986 0.1 . 562 116 116 MET CA C 55.206 0.1 . 563 116 116 MET CB C 36.608 0.1 . 564 116 116 MET CG C 32.711 0.1 . 565 116 116 MET CE C 18.109 0.1 . 566 116 116 MET N N 120.812 0.1 . 567 117 117 HIS C C 175.976 0.1 . 568 117 117 HIS CA C 54.591 0.1 . 569 117 117 HIS CB C 31.610 0.1 . 570 117 117 HIS N N 120.690 0.1 . 571 118 118 PRO C C 175.296 0.1 . 572 118 118 PRO CA C 63.501 0.1 . 573 118 118 PRO CB C 32.236 0.1 . 574 118 118 PRO CG C 27.527 0.1 . 575 118 118 PRO CD C 50.429 0.1 . 576 118 118 PRO N N 137.105 0.1 . 577 119 119 GLN C C 173.885 0.1 . 578 119 119 GLN CA C 53.636 0.1 . 579 119 119 GLN CB C 29.046 0.1 . 580 119 119 GLN CG C 30.639 0.1 . 581 119 119 GLN CD C 178.698 0.1 . 582 119 119 GLN N N 116.057 0.1 . 583 120 120 THR C C 174.507 0.1 . 584 120 120 THR CA C 58.719 0.1 . 585 120 120 THR CB C 72.022 0.1 . 586 120 120 THR CG2 C 23.174 0.1 . 587 120 120 THR N N 110.570 0.1 . 588 121 121 VAL C C 177.497 0.1 . 589 121 121 VAL CA C 68.451 0.1 . 590 121 121 VAL CB C 31.177 0.1 . 591 121 121 VAL CG1 C 24.202 0.1 . 592 121 121 VAL CG2 C 22.014 0.1 . 593 121 121 VAL N N 124.106 0.1 . 594 122 122 TYR C C 176.097 0.1 . 595 122 122 TYR CA C 62.602 0.1 . 596 122 122 TYR CB C 37.978 0.1 . 597 122 122 TYR CG C 134.600 0.1 . 598 122 122 TYR N N 120.006 0.1 . 599 123 123 ALA C C 177.177 0.1 . 600 123 123 ALA CA C 54.902 0.1 . 601 123 123 ALA CB C 17.904 0.1 . 602 123 123 ALA N N 117.404 0.1 . 603 124 124 HIS C C 174.906 0.1 . 604 124 124 HIS CA C 58.596 0.1 . 605 124 124 HIS CB C 27.215 0.1 . 606 124 124 HIS CG C 131.811 0.1 . 607 124 124 HIS N N 117.996 0.1 . 608 125 125 ALA C C 174.888 0.1 . 609 125 125 ALA CA C 54.400 0.1 . 610 125 125 ALA CB C 17.929 0.1 . 611 125 125 ALA N N 124.721 0.1 . 612 126 126 ILE C C 177.608 0.1 . 613 126 126 ILE CA C 64.001 0.1 . 614 126 126 ILE CB C 37.537 0.1 . 615 126 126 ILE CG1 C 28.602 0.1 . 616 126 126 ILE CG2 C 17.355 0.1 . 617 126 126 ILE CD1 C 13.494 0.1 . 618 126 126 ILE N N 121.122 0.1 . 619 127 127 ALA C C 176.091 0.1 . 620 127 127 ALA CA C 56.608 0.1 . 621 127 127 ALA CB C 18.405 0.1 . 622 127 127 ALA N N 120.602 0.1 . 623 128 128 THR C C 175.178 0.1 . 624 128 128 THR CA C 68.614 0.1 . 625 128 128 THR CB C 67.971 0.1 . 626 128 128 THR CG2 C 21.206 0.1 . 627 128 128 THR N N 118.189 0.1 . 628 129 129 LEU C C 178.285 0.1 . 629 129 129 LEU CA C 58.396 0.1 . 630 129 129 LEU CB C 41.305 0.1 . 631 129 129 LEU CG C 27.813 0.1 . 632 129 129 LEU CD1 C 23.113 0.1 . 633 129 129 LEU CD2 C 22.754 0.1 . 634 129 129 LEU N N 120.486 0.1 . 635 130 130 GLU C C 177.014 0.1 . 636 130 130 GLU CA C 60.780 0.1 . 637 130 130 GLU CB C 28.501 0.1 . 638 130 130 GLU CG C 36.617 0.1 . 639 130 130 GLU CD C 179.872 0.1 . 640 130 130 GLU N N 118.494 0.1 . 641 131 131 CYS C C 176.934 0.1 . 642 131 131 CYS CA C 65.703 0.1 . 643 131 131 CYS CB C 29.600 0.1 . 644 131 131 CYS N N 118.718 0.1 . 645 132 132 PHE C C 177.183 0.1 . 646 132 132 PHE CA C 61.602 0.1 . 647 132 132 PHE CB C 38.931 0.1 . 648 132 132 PHE N N 119.510 0.1 . 649 133 133 VAL C C 177.117 0.1 . 650 133 133 VAL CA C 67.087 0.1 . 651 133 133 VAL CB C 31.413 0.1 . 652 133 133 VAL CG1 C 23.302 0.1 . 653 133 133 VAL CG2 C 22.995 0.1 . 654 133 133 VAL N N 122.492 0.1 . 655 134 134 GLY C C 175.700 0.1 . 656 134 134 GLY CA C 48.203 0.1 . 657 134 134 GLY N N 107.134 0.1 . 658 135 135 MET C C 178.587 0.1 . 659 135 135 MET CA C 58.306 0.1 . 660 135 135 MET CB C 32.304 0.1 . 661 135 135 MET CG C 35.591 0.1 . 662 135 135 MET CE C 17.571 0.1 . 663 135 135 MET N N 122.154 0.1 . 664 136 136 SER C C 175.905 0.1 . 665 136 136 SER CA C 63.606 0.1 . 666 136 136 SER CB C 64.024 0.1 . 667 136 136 SER N N 114.701 0.1 . 668 137 137 GLY C C 175.420 0.1 . 669 137 137 GLY CA C 48.900 0.1 . 670 137 137 GLY N N 109.504 0.1 . 671 138 138 ILE C C 177.335 0.1 . 672 138 138 ILE CA C 66.161 0.1 . 673 138 138 ILE CB C 38.137 0.1 . 674 138 138 ILE CG1 C 29.306 0.1 . 675 138 138 ILE CG2 C 17.206 0.1 . 676 138 138 ILE CD1 C 13.998 0.1 . 677 138 138 ILE N N 121.399 0.1 . 678 139 139 ALA C C 179.216 0.1 . 679 139 139 ALA CA C 55.616 0.1 . 680 139 139 ALA CB C 18.309 0.1 . 681 139 139 ALA N N 121.004 0.1 . 682 140 140 LEU C C 178.465 0.1 . 683 140 140 LEU CA C 58.435 0.1 . 684 140 140 LEU CB C 41.020 0.1 . 685 140 140 LEU CG C 27.022 0.1 . 686 140 140 LEU CD1 C 23.301 0.1 . 687 140 140 LEU CD2 C 22.102 0.1 . 688 140 140 LEU N N 118.717 0.1 . 689 141 141 SER C C 175.495 0.1 . 690 141 141 SER CA C 63.306 0.1 . 691 141 141 SER CB C 62.998 0.1 . 692 141 141 SER N N 114.409 0.1 . 693 142 142 THR C C 176.518 0.1 . 694 142 142 THR CA C 67.607 0.1 . 695 142 142 THR CB C 68.323 0.1 . 696 142 142 THR CG2 C 21.905 0.1 . 697 142 142 THR N N 118.887 0.1 . 698 143 143 GLY C C 175.781 0.1 . 699 143 143 GLY CA C 47.891 0.1 . 700 143 143 GLY N N 106.607 0.1 . 701 144 144 LEU C C 178.619 0.1 . 702 144 144 LEU CA C 58.070 0.1 . 703 144 144 LEU CB C 41.419 0.1 . 704 144 144 LEU CG C 28.499 0.1 . 705 144 144 LEU CD1 C 22.389 0.1 . 706 144 144 LEU CD2 C 22.021 0.1 . 707 144 144 LEU N N 122.006 0.1 . 708 145 145 VAL C C 176.078 0.1 . 709 145 145 VAL CA C 67.300 0.1 . 710 145 145 VAL CB C 31.517 0.1 . 711 145 145 VAL CG1 C 23.492 0.1 . 712 145 145 VAL CG2 C 22.160 0.1 . 713 145 145 VAL N N 119.505 0.1 . 714 146 146 PHE C C 176.000 0.1 . 715 146 146 PHE CA C 62.472 0.1 . 716 146 146 PHE CB C 38.705 0.1 . 717 146 146 PHE N N 123.796 0.1 . 718 147 147 ALA C C 179.732 0.1 . 719 147 147 ALA CA C 55.505 0.1 . 720 147 147 ALA CB C 19.184 0.1 . 721 147 147 ALA N N 120.482 0.1 . 722 148 148 ARG C C 177.997 0.1 . 723 148 148 ARG CA C 57.993 0.1 . 724 148 148 ARG CB C 29.487 0.1 . 725 148 148 ARG CG C 26.584 0.1 . 726 148 148 ARG CD C 42.300 0.1 . 727 148 148 ARG N N 120.510 0.1 . 728 149 149 PHE C C 174.818 0.1 . 729 149 149 PHE CA C 60.641 0.1 . 730 149 149 PHE CB C 39.411 0.1 . 731 149 149 PHE N N 120.294 0.1 . 732 150 150 ALA C C 174.104 0.1 . 733 150 150 ALA CA C 54.306 0.1 . 734 150 150 ALA CB C 17.998 0.1 . 735 150 150 ALA N N 125.391 0.1 . 736 151 151 ARG C C 171.987 0.1 . 737 151 151 ARG CA C 54.507 0.1 . 738 151 151 ARG CB C 33.346 0.1 . 739 151 151 ARG CG C 26.307 0.1 . 740 151 151 ARG CD C 42.875 0.1 . 741 151 151 ARG N N 125.491 0.1 . 742 152 152 PRO C C 175.258 0.1 . 743 152 152 PRO CA C 61.915 0.1 . 744 152 152 PRO CB C 29.840 0.1 . 745 152 152 PRO CG C 27.504 0.1 . 746 152 152 PRO CD C 50.447 0.1 . 747 152 152 PRO N N 134.421 0.1 . 748 153 153 ARG C C 175.159 0.1 . 749 153 153 ARG CA C 55.500 0.1 . 750 153 153 ARG CB C 32.910 0.1 . 751 153 153 ARG CG C 26.770 0.1 . 752 153 153 ARG CD C 42.072 0.1 . 753 153 153 ARG N N 121.805 0.1 . 754 154 154 ALA C C 177.573 0.1 . 755 154 154 ALA CA C 55.408 0.1 . 756 154 154 ALA CB C 22.200 0.1 . 757 154 154 ALA N N 120.212 0.1 . 758 155 155 LYS C C 179.166 0.1 . 759 155 155 LYS CA C 57.899 0.1 . 760 155 155 LYS CB C 32.222 0.1 . 761 155 155 LYS CG C 24.110 0.1 . 762 155 155 LYS CD C 28.509 0.1 . 763 155 155 LYS CE C 41.560 0.1 . 764 155 155 LYS N N 120.727 0.1 . 765 156 156 ILE C C 176.437 0.1 . 766 156 156 ILE CA C 64.604 0.1 . 767 156 156 ILE CB C 37.900 0.1 . 768 156 156 ILE CG1 C 29.500 0.1 . 769 156 156 ILE CG2 C 17.100 0.1 . 770 156 156 ILE CD1 C 14.145 0.1 . 771 156 156 ILE N N 121.753 0.1 . 772 157 157 MET C C 175.200 0.1 . 773 157 157 MET CA C 58.300 0.1 . 774 157 157 MET CB C 32.300 0.1 . 775 157 157 MET CG C 35.700 0.1 . 776 157 157 MET CE C 16.900 0.1 . 777 157 157 MET N N 117.600 0.1 . 778 158 158 PHE C C 175.900 0.1 . 779 158 158 PHE CA C 55.400 0.1 . 780 158 158 PHE CB C 41.300 0.1 . 781 158 158 PHE CG C 139.600 0.1 . 782 158 158 PHE N N 124.300 0.1 . 783 159 159 ALA C C 175.300 0.1 . 784 159 159 ALA CA C 54.712 0.1 . 785 159 159 ALA CB C 19.200 0.1 . 786 159 159 ALA N N 118.300 0.1 . 787 160 160 ARG C C 174.700 0.1 . 788 160 160 ARG CA C 54.300 0.1 . 789 160 160 ARG CB C 34.600 0.1 . 790 160 160 ARG CG C 27.600 0.1 . 791 160 160 ARG CD C 44.000 0.1 . 792 160 160 ARG N N 122.700 0.1 . 793 161 161 HIS C C 174.200 0.1 . 794 161 161 HIS CA C 53.800 0.1 . 795 161 161 HIS CB C 32.800 0.1 . 796 161 161 HIS N N 120.600 0.1 . 797 162 162 ALA C C 174.700 0.1 . 798 162 162 ALA CA C 53.400 0.1 . 799 162 162 ALA CB C 21.700 0.1 . 800 162 162 ALA N N 122.300 0.1 . 801 163 163 ILE C C 177.531 0.1 . 802 163 163 ILE CA C 57.833 0.1 . 803 163 163 ILE CB C 42.659 0.1 . 804 163 163 ILE CG1 C 28.300 0.1 . 805 163 163 ILE CG2 C 18.552 0.1 . 806 163 163 ILE CD1 C 14.250 0.1 . 807 163 163 ILE N N 117.650 0.1 . 808 164 164 VAL C C 174.989 0.1 . 809 164 164 VAL CA C 59.902 0.1 . 810 164 164 VAL CB C 31.901 0.1 . 811 164 164 VAL CG1 C 21.015 0.1 . 812 164 164 VAL CG2 C 21.399 0.1 . 813 164 164 VAL N N 118.657 0.1 . 814 165 165 ARG CA C 56.159 0.1 . 815 165 165 ARG CB C 31.215 0.1 . 816 165 165 ARG CG C 26.900 0.1 . 817 165 165 ARG CD C 42.251 0.1 . 818 165 165 ARG N N 122.600 0.1 . 819 166 166 PRO C C 175.507 0.1 . 820 166 166 PRO CA C 64.698 0.1 . 821 166 166 PRO CB C 32.100 0.1 . 822 166 166 PRO CG C 27.350 0.1 . 823 166 166 PRO CD C 51.800 0.1 . 824 166 166 PRO N N 133.800 0.1 . 825 167 167 PHE C C 177.772 0.1 . 826 167 167 PHE CA C 55.099 0.1 . 827 167 167 PHE CB C 42.602 0.1 . 828 167 167 PHE CG C 138.200 0.1 . 829 167 167 PHE N N 121.600 0.1 . 830 168 168 ASN C C 173.089 0.1 . 831 168 168 ASN CA C 53.435 0.1 . 832 168 168 ASN CB C 36.686 0.1 . 833 168 168 ASN CG C 177.891 0.1 . 834 168 168 ASN N N 121.000 0.1 . 835 169 169 GLY C C 174.200 0.1 . 836 169 169 GLY CA C 46.656 0.1 . 837 169 169 GLY N N 105.703 0.1 . 838 170 170 ARG C C 174.805 0.1 . 839 170 170 ARG CA C 53.609 0.1 . 840 170 170 ARG CB C 32.600 0.1 . 841 170 170 ARG CG C 26.700 0.1 . 842 170 170 ARG CD C 46.800 0.1 . 843 170 170 ARG N N 121.200 0.1 . 844 171 171 MET C C 178.999 0.1 . 845 171 171 MET CA C 53.708 0.1 . 846 171 171 MET CB C 30.703 0.1 . 847 171 171 MET CG C 29.201 0.1 . 848 171 171 MET CE C 18.800 0.1 . 849 171 171 MET N N 115.800 0.1 . 850 172 172 THR C C 174.665 0.1 . 851 172 172 THR CA C 58.901 0.1 . 852 172 172 THR CB C 71.889 0.1 . 853 172 172 THR CG2 C 21.901 0.1 . 854 172 172 THR N N 109.770 0.1 . 855 173 173 LEU C C 175.862 0.1 . 856 173 173 LEU CA C 54.851 0.1 . 857 173 173 LEU CB C 44.503 0.1 . 858 173 173 LEU CG C 25.512 0.1 . 859 173 173 LEU CD1 C 22.609 0.1 . 860 173 173 LEU CD2 C 22.102 0.1 . 861 173 173 LEU N N 116.880 0.1 . 862 174 174 MET C C 178.017 0.1 . 863 174 174 MET CA C 55.510 0.1 . 864 174 174 MET CB C 36.603 0.1 . 865 174 174 MET CG C 31.599 0.1 . 866 174 174 MET CE C 18.101 0.1 . 867 174 174 MET N N 121.160 0.1 . 868 175 175 VAL C C 176.203 0.1 . 869 175 175 VAL CA C 61.300 0.1 . 870 175 175 VAL CB C 34.231 0.1 . 871 175 175 VAL CG1 C 22.700 0.1 . 872 175 175 VAL CG2 C 21.300 0.1 . 873 175 175 VAL N N 122.358 0.1 . 874 176 176 ARG C C 176.025 0.1 . 875 176 176 ARG CA C 55.110 0.1 . 876 176 176 ARG CB C 32.706 0.1 . 877 176 176 ARG CG C 27.110 0.1 . 878 176 176 ARG CD C 41.800 0.1 . 879 176 176 ARG N N 120.975 0.1 . 880 177 177 ALA C C 174.600 0.1 . 881 177 177 ALA CA C 52.599 0.1 . 882 177 177 ALA CB C 20.206 0.1 . 883 177 177 ALA N N 124.800 0.1 . 884 178 178 ALA C C 178.500 0.1 . 885 178 178 ALA CA C 52.233 0.1 . 886 178 178 ALA CB C 20.901 0.1 . 887 178 178 ALA N N 120.400 0.1 . 888 179 179 ASN C C 176.367 0.1 . 889 179 179 ASN CA C 53.202 0.1 . 890 179 179 ASN CB C 37.097 0.1 . 891 179 179 ASN CG C 178.500 0.1 . 892 179 179 ASN N N 113.200 0.1 . 893 180 180 ALA C C 174.800 0.1 . 894 180 180 ALA CA C 53.800 0.1 . 895 180 180 ALA CB C 18.500 0.1 . 896 180 180 ALA N N 121.200 0.1 . 897 181 181 ARG C C 174.201 0.1 . 898 181 181 ARG CA C 56.400 0.1 . 899 181 181 ARG CB C 28.994 0.1 . 900 181 181 ARG CG C 27.418 0.1 . 901 181 181 ARG CD C 43.167 0.1 . 902 181 181 ARG N N 117.800 0.1 . 903 182 182 GLN C C 176.212 0.1 . 904 182 182 GLN CA C 54.402 0.1 . 905 182 182 GLN CB C 29.800 0.1 . 906 182 182 GLN CG C 31.550 0.1 . 907 182 182 GLN CD C 180.601 0.1 . 908 182 182 GLN N N 121.800 0.1 . 909 183 183 ASN C C 177.404 0.1 . 910 183 183 ASN CA C 55.311 0.1 . 911 183 183 ASN CB C 38.200 0.1 . 912 183 183 ASN CG C 180.000 0.1 . 913 183 183 ASN N N 120.400 0.1 . 914 184 184 VAL C C 177.601 0.1 . 915 184 184 VAL CA C 67.120 0.1 . 916 184 184 VAL CB C 31.200 0.1 . 917 184 184 VAL CG1 C 23.500 0.1 . 918 184 184 VAL CG2 C 21.800 0.1 . 919 184 184 VAL N N 117.000 0.1 . 920 185 185 ILE C C 177.400 0.1 . 921 185 185 ILE CA C 59.803 0.1 . 922 185 185 ILE CB C 42.600 0.1 . 923 185 185 ILE CG1 C 28.500 0.1 . 924 185 185 ILE CG2 C 18.800 0.1 . 925 185 185 ILE CD1 C 15.300 0.1 . 926 185 185 ILE N N 119.404 0.1 . 927 186 186 ALA C C 176.138 0.1 . 928 186 186 ALA CA C 53.154 0.1 . 929 186 186 ALA CB C 19.111 0.1 . 930 186 186 ALA N N 118.500 0.1 . 931 187 187 GLU C C 174.122 0.1 . 932 187 187 GLU CA C 54.100 0.1 . 933 187 187 GLU CB C 31.632 0.1 . 934 187 187 GLU CG C 35.477 0.1 . 935 187 187 GLU CD C 182.132 0.1 . 936 187 187 GLU N N 125.800 0.1 . 937 188 188 ALA C C 176.098 0.1 . 938 188 188 ALA CA C 50.694 0.1 . 939 188 188 ALA CB C 21.701 0.1 . 940 188 188 ALA N N 126.800 0.1 . 941 189 189 ARG C C 177.022 0.1 . 942 189 189 ARG CA C 55.210 0.1 . 943 189 189 ARG CB C 32.604 0.1 . 944 189 189 ARG CG C 26.292 0.1 . 945 189 189 ARG CD C 43.900 0.1 . 946 189 189 ARG N N 118.000 0.1 . 947 190 190 ALA C C 176.799 0.1 . 948 190 190 ALA CA C 52.139 0.1 . 949 190 190 ALA CB C 20.632 0.1 . 950 190 190 ALA N N 113.300 0.1 . 951 191 191 LYS C C 174.712 0.1 . 952 191 191 LYS CA C 54.400 0.1 . 953 191 191 LYS CB C 32.400 0.1 . 954 191 191 LYS CG C 25.240 0.1 . 955 191 191 LYS CD C 29.029 0.1 . 956 191 191 LYS CE C 42.776 0.1 . 957 191 191 LYS N N 116.800 0.1 . 958 192 192 MET C C 174.519 0.1 . 959 192 192 MET CA C 54.000 0.1 . 960 192 192 MET CB C 34.300 0.1 . 961 192 192 MET CG C 33.000 0.1 . 962 192 192 MET CE C 17.900 0.1 . 963 192 192 MET N N 124.000 0.1 . 964 193 193 ARG C C 174.606 0.1 . 965 193 193 ARG CA C 53.110 0.1 . 966 193 193 ARG CB C 33.700 0.1 . 967 193 193 ARG CG C 26.600 0.1 . 968 193 193 ARG CD C 45.800 0.1 . 969 193 193 ARG N N 123.300 0.1 . 970 194 194 LEU C C 174.804 0.1 . 971 194 194 LEU CA C 54.600 0.1 . 972 194 194 LEU CB C 40.600 0.1 . 973 194 194 LEU CG C 27.500 0.1 . 974 194 194 LEU CD1 C 23.310 0.1 . 975 194 194 LEU CD2 C 23.610 0.1 . 976 194 194 LEU N N 124.100 0.1 . 977 195 195 MET C C 175.615 0.1 . 978 195 195 MET CA C 55.000 0.1 . 979 195 195 MET CB C 35.900 0.1 . 980 195 195 MET CG C 33.000 0.1 . 981 195 195 MET CE C 17.003 0.1 . 982 195 195 MET N N 115.400 0.1 . 983 196 196 ARG C C 176.000 0.1 . 984 196 196 ARG CA C 56.600 0.1 . 985 196 196 ARG CB C 31.700 0.1 . 986 196 196 ARG CG C 26.700 0.1 . 987 196 196 ARG CD C 40.600 0.1 . 988 196 196 ARG N N 113.400 0.1 . 989 197 197 ARG C C 175.117 0.1 . 990 197 197 ARG CA C 56.300 0.1 . 991 197 197 ARG CB C 31.659 0.1 . 992 197 197 ARG CG C 26.900 0.1 . 993 197 197 ARG CD C 43.000 0.1 . 994 197 197 ARG N N 119.368 0.1 . 995 198 198 GLU C C 176.602 0.1 . 996 198 198 GLU CA C 58.810 0.1 . 997 198 198 GLU CB C 30.603 0.1 . 998 198 198 GLU CG C 35.397 0.1 . 999 198 198 GLU CD C 182.400 0.1 . 1000 198 198 GLU N N 118.500 0.1 . 1001 199 199 HIS C C 177.306 0.1 . 1002 199 199 HIS CA C 56.598 0.1 . 1003 199 199 HIS CB C 31.512 0.1 . 1004 199 199 HIS CG C 131.900 0.1 . 1005 199 199 HIS N N 120.100 0.1 . 1006 200 200 SER C C 176.662 0.1 . 1007 200 200 SER CA C 58.101 0.1 . 1008 200 200 SER CB C 64.200 0.1 . 1009 200 200 SER N N 116.460 0.1 . 1010 201 201 SER C C 178.413 0.1 . 1011 201 201 SER CA C 55.493 0.1 . 1012 201 201 SER CB C 65.090 0.1 . 1013 201 201 SER N N 115.400 0.1 . 1014 202 202 GLU C C 178.702 0.1 . 1015 202 202 GLU CA C 57.704 0.1 . 1016 202 202 GLU CB C 29.193 0.1 . 1017 202 202 GLU CG C 37.675 0.1 . 1018 202 202 GLU CD C 182.813 0.1 . 1019 202 202 GLU N N 119.770 0.1 . 1020 203 203 GLY C C 174.441 0.1 . 1021 203 203 GLY CA C 48.700 0.1 . 1022 203 203 GLY N N 104.500 0.1 . 1023 204 204 TYR C C 176.700 0.1 . 1024 204 204 TYR CA C 58.799 0.1 . 1025 204 204 TYR CB C 38.200 0.1 . 1026 204 204 TYR CG C 133.200 0.1 . 1027 204 204 TYR N N 121.400 0.1 . 1028 205 205 SER C C 175.700 0.1 . 1029 205 205 SER CA C 56.299 0.1 . 1030 205 205 SER CB C 64.701 0.1 . 1031 205 205 SER N N 119.200 0.1 . 1032 206 206 LEU C C 175.739 0.1 . 1033 206 206 LEU CA C 54.602 0.1 . 1034 206 206 LEU CB C 42.281 0.1 . 1035 206 206 LEU CG C 28.294 0.1 . 1036 206 206 LEU CD1 C 25.618 0.1 . 1037 206 206 LEU CD2 C 26.799 0.1 . 1038 206 206 LEU N N 121.920 0.1 . 1039 207 207 MET C C 175.741 0.1 . 1040 207 207 MET CA C 54.401 0.1 . 1041 207 207 MET CB C 33.699 0.1 . 1042 207 207 MET CG C 31.902 0.1 . 1043 207 207 MET CE C 18.037 0.1 . 1044 207 207 MET N N 121.215 0.1 . 1045 208 208 LYS C C 178.838 0.1 . 1046 208 208 LYS CA C 54.900 0.1 . 1047 208 208 LYS CB C 32.399 0.1 . 1048 208 208 LYS CG C 25.659 0.1 . 1049 208 208 LYS CD C 28.884 0.1 . 1050 208 208 LYS CE C 40.399 0.1 . 1051 208 208 LYS N N 117.070 0.1 . 1052 209 209 ILE C C 176.818 0.1 . 1053 209 209 ILE CA C 58.898 0.1 . 1054 209 209 ILE CB C 41.505 0.1 . 1055 209 209 ILE CG1 C 29.092 0.1 . 1056 209 209 ILE CG2 C 19.200 0.1 . 1057 209 209 ILE CD1 C 13.300 0.1 . 1058 209 209 ILE N N 120.400 0.1 . 1059 210 210 HIS C C 178.100 0.1 . 1060 210 210 HIS CA C 55.019 0.1 . 1061 210 210 HIS CB C 32.800 0.1 . 1062 210 210 HIS CG C 130.700 0.1 . 1063 210 210 HIS N N 121.300 0.1 . 1064 211 211 ASP C C 176.100 0.1 . 1065 211 211 ASP CA C 54.003 0.1 . 1066 211 211 ASP CB C 39.402 0.1 . 1067 211 211 ASP CG C 178.930 0.1 . 1068 211 211 ASP N N 122.770 0.1 . 1069 212 212 LEU C C 177.839 0.1 . 1070 212 212 LEU CA C 55.603 0.1 . 1071 212 212 LEU CB C 41.773 0.1 . 1072 212 212 LEU CG C 25.904 0.1 . 1073 212 212 LEU CD1 C 23.295 0.1 . 1074 212 212 LEU CD2 C 22.603 0.1 . 1075 212 212 LEU N N 117.800 0.1 . 1076 213 213 LYS C C 177.352 0.1 . 1077 213 213 LYS CA C 57.852 0.1 . 1078 213 213 LYS CB C 31.700 0.1 . 1079 213 213 LYS CG C 25.472 0.1 . 1080 213 213 LYS CD C 28.444 0.1 . 1081 213 213 LYS CE C 41.684 0.1 . 1082 213 213 LYS N N 117.550 0.1 . 1083 214 214 LEU C C 179.500 0.1 . 1084 214 214 LEU CA C 57.602 0.1 . 1085 214 214 LEU CB C 41.300 0.1 . 1086 214 214 LEU CG C 26.300 0.1 . 1087 214 214 LEU CD1 C 23.500 0.1 . 1088 214 214 LEU CD2 C 23.400 0.1 . 1089 214 214 LEU N N 116.000 0.1 . 1090 215 215 VAL C C 177.401 0.1 . 1091 215 215 VAL CA C 65.600 0.1 . 1092 215 215 VAL CB C 31.218 0.1 . 1093 215 215 VAL CG1 C 22.930 0.1 . 1094 215 215 VAL CG2 C 21.572 0.1 . 1095 215 215 VAL N N 120.400 0.1 . 1096 216 216 ARG C C 179.205 0.1 . 1097 216 216 ARG CA C 59.301 0.1 . 1098 216 216 ARG CB C 29.595 0.1 . 1099 216 216 ARG CG C 28.132 0.1 . 1100 216 216 ARG CD C 42.250 0.1 . 1101 216 216 ARG N N 119.400 0.1 . 1102 217 217 ASN C C 178.500 0.1 . 1103 217 217 ASN CA C 53.398 0.1 . 1104 217 217 ASN CB C 42.032 0.1 . 1105 217 217 ASN CG C 176.101 0.1 . 1106 217 217 ASN N N 117.800 0.1 . 1107 218 218 GLU C C 177.101 0.1 . 1108 218 218 GLU CA C 58.804 0.1 . 1109 218 218 GLU CB C 29.431 0.1 . 1110 218 218 GLU CG C 35.597 0.1 . 1111 218 218 GLU CD C 180.998 0.1 . 1112 218 218 GLU N N 117.300 0.1 . 1113 219 219 HIS CA C 55.897 0.1 . 1114 219 219 HIS CB C 30.800 0.1 . 1115 219 219 HIS CG C 130.600 0.1 . 1116 219 219 HIS N N 120.400 0.1 . 1117 220 220 PRO C C 179.200 0.1 . 1118 220 220 PRO CA C 65.200 0.1 . 1119 220 220 PRO CB C 32.300 0.1 . 1120 220 220 PRO CG C 26.800 0.1 . 1121 220 220 PRO CD C 50.600 0.1 . 1122 220 220 PRO N N 133.700 0.1 . 1123 221 221 ILE C C 178.145 0.1 . 1124 221 221 ILE CA C 66.047 0.1 . 1125 221 221 ILE CB C 38.401 0.1 . 1126 221 221 ILE CG1 C 29.404 0.1 . 1127 221 221 ILE CG2 C 17.292 0.1 . 1128 221 221 ILE CD1 C 14.100 0.1 . 1129 221 221 ILE N N 118.910 0.1 . 1130 222 222 PHE C C 176.502 0.1 . 1131 222 222 PHE CA C 57.801 0.1 . 1132 222 222 PHE CB C 41.000 0.1 . 1133 222 222 PHE CG C 138.300 0.1 . 1134 222 222 PHE CD1 C 132.100 0.1 . 1135 222 222 PHE CD2 C 132.100 0.1 . 1136 222 222 PHE N N 115.400 0.1 . 1137 223 223 LEU C C 174.794 0.1 . 1138 223 223 LEU CA C 56.203 0.1 . 1139 223 223 LEU CB C 42.434 0.1 . 1140 223 223 LEU CG C 27.200 0.1 . 1141 223 223 LEU CD1 C 25.541 0.1 . 1142 223 223 LEU CD2 C 25.900 0.1 . 1143 223 223 LEU N N 122.300 0.1 . 1144 224 224 LEU C C 178.271 0.1 . 1145 224 224 LEU CA C 56.387 0.1 . 1146 224 224 LEU CB C 42.111 0.1 . 1147 224 224 LEU CG C 26.114 0.1 . 1148 224 224 LEU CD1 C 23.702 0.1 . 1149 224 224 LEU CD2 C 23.299 0.1 . 1150 224 224 LEU N N 117.710 0.1 . 1151 225 225 GLY C C 174.678 0.1 . 1152 225 225 GLY CA C 44.904 0.1 . 1153 225 225 GLY N N 104.801 0.1 . 1154 226 226 TRP C C 178.306 0.1 . 1155 226 226 TRP CA C 55.408 0.1 . 1156 226 226 TRP CB C 29.541 0.1 . 1157 226 226 TRP CG C 108.249 0.1 . 1158 226 226 TRP N N 117.093 0.1 . 1159 227 227 ASN C C 176.215 0.1 . 1160 227 227 ASN CA C 52.795 0.1 . 1161 227 227 ASN CB C 39.875 0.1 . 1162 227 227 ASN CG C 174.681 0.1 . 1163 227 227 ASN N N 124.994 0.1 . 1164 228 228 MET C C 176.206 0.1 . 1165 228 228 MET CA C 55.599 0.1 . 1166 228 228 MET CB C 32.343 0.1 . 1167 228 228 MET CG C 31.316 0.1 . 1168 228 228 MET CE C 17.800 0.1 . 1169 228 228 MET N N 116.192 0.1 . 1170 229 229 MET C C 176.407 0.1 . 1171 229 229 MET CA C 55.799 0.1 . 1172 229 229 MET CB C 33.989 0.1 . 1173 229 229 MET CG C 31.644 0.1 . 1174 229 229 MET CE C 18.328 0.1 . 1175 229 229 MET N N 119.279 0.1 . 1176 230 230 HIS C C 177.595 0.1 . 1177 230 230 HIS CA C 55.306 0.1 . 1178 230 230 HIS CB C 30.487 0.1 . 1179 230 230 HIS CG C 133.875 0.1 . 1180 230 230 HIS CD2 C 125.480 0.1 . 1181 230 230 HIS N N 117.305 0.1 . 1182 231 231 VAL C C 178.002 0.1 . 1183 231 231 VAL CA C 59.608 0.1 . 1184 231 231 VAL CB C 34.347 0.1 . 1185 231 231 VAL CG1 C 21.709 0.1 . 1186 231 231 VAL CG2 C 20.892 0.1 . 1187 231 231 VAL N N 122.719 0.1 . 1188 232 232 ILE C C 177.576 0.1 . 1189 232 232 ILE CA C 65.228 0.1 . 1190 232 232 ILE CB C 38.713 0.1 . 1191 232 232 ILE CG1 C 26.904 0.1 . 1192 232 232 ILE CG2 C 17.624 0.1 . 1193 232 232 ILE CD1 C 14.232 0.1 . 1194 232 232 ILE N N 119.408 0.1 . 1195 233 233 ASP C C 177.804 0.1 . 1196 233 233 ASP CA C 57.604 0.1 . 1197 233 233 ASP CB C 39.210 0.1 . 1198 233 233 ASP CG C 178.896 0.1 . 1199 233 233 ASP N N 121.444 0.1 . 1200 234 234 GLU C C 176.998 0.1 . 1201 234 234 GLU CA C 57.599 0.1 . 1202 234 234 GLU CB C 30.254 0.1 . 1203 234 234 GLU CG C 34.740 0.1 . 1204 234 234 GLU CD C 182.814 0.1 . 1205 234 234 GLU N N 115.689 0.1 . 1206 235 235 SER C C 175.215 0.1 . 1207 235 235 SER CA C 55.604 0.1 . 1208 235 235 SER CB C 68.315 0.1 . 1209 235 235 SER N N 119.615 0.1 . 1210 236 236 SER C C 174.288 0.1 . 1211 236 236 SER CA C 55.204 0.1 . 1212 236 236 SER CB C 63.115 0.1 . 1213 236 236 SER N N 124.187 0.1 . 1214 237 237 PRO C C 178.186 0.1 . 1215 237 237 PRO CA C 66.538 0.1 . 1216 237 237 PRO CB C 29.611 0.1 . 1217 237 237 PRO CG C 26.818 0.1 . 1218 237 237 PRO CD C 50.193 0.1 . 1219 237 237 PRO N N 129.921 0.1 . 1220 238 238 LEU C C 178.407 0.1 . 1221 238 238 LEU CA C 55.605 0.1 . 1222 238 238 LEU CB C 41.591 0.1 . 1223 238 238 LEU CG C 27.037 0.1 . 1224 238 238 LEU CD1 C 23.715 0.1 . 1225 238 238 LEU CD2 C 23.465 0.1 . 1226 238 238 LEU N N 116.201 0.1 . 1227 239 239 PHE C C 178.000 0.1 . 1228 239 239 PHE CA C 63.111 0.1 . 1229 239 239 PHE CB C 38.227 0.1 . 1230 239 239 PHE N N 116.301 0.1 . 1231 240 240 GLY C C 174.991 0.1 . 1232 240 240 GLY CA C 47.896 0.1 . 1233 240 240 GLY N N 109.744 0.1 . 1234 241 241 GLU C C 176.801 0.1 . 1235 241 241 GLU CA C 57.804 0.1 . 1236 241 241 GLU CB C 32.402 0.1 . 1237 241 241 GLU CG C 35.926 0.1 . 1238 241 241 GLU CD C 180.813 0.1 . 1239 241 241 GLU N N 121.876 0.1 . 1240 242 242 THR C C 173.594 0.1 . 1241 242 242 THR CA C 59.604 0.1 . 1242 242 242 THR CB C 72.432 0.1 . 1243 242 242 THR CG2 C 21.506 0.1 . 1244 242 242 THR N N 112.701 0.1 . 1245 243 243 PRO C C 177.805 0.1 . 1246 243 243 PRO CA C 66.416 0.1 . 1247 243 243 PRO CB C 31.134 0.1 . 1248 243 243 PRO CG C 28.883 0.1 . 1249 243 243 PRO CD C 50.853 0.1 . 1250 243 243 PRO N N 131.027 0.1 . 1251 244 244 GLU C C 176.492 0.1 . 1252 244 244 GLU CA C 59.101 0.1 . 1253 244 244 GLU CB C 28.822 0.1 . 1254 244 244 GLU CG C 35.999 0.1 . 1255 244 244 GLU CD C 180.722 0.1 . 1256 244 244 GLU N N 122.700 0.1 . 1257 245 245 SER C C 176.115 0.1 . 1258 245 245 SER CA C 62.698 0.1 . 1259 245 245 SER CB C 63.036 0.1 . 1260 245 245 SER N N 118.105 0.1 . 1261 246 246 LEU C C 178.596 0.1 . 1262 246 246 LEU CA C 58.201 0.1 . 1263 246 246 LEU CB C 41.709 0.1 . 1264 246 246 LEU CG C 26.910 0.1 . 1265 246 246 LEU CD1 C 23.513 0.1 . 1266 246 246 LEU CD2 C 23.139 0.1 . 1267 246 246 LEU N N 123.717 0.1 . 1268 247 247 ALA C C 179.508 0.1 . 1269 247 247 ALA CA C 55.411 0.1 . 1270 247 247 ALA CB C 18.108 0.1 . 1271 247 247 ALA N N 122.086 0.1 . 1272 248 248 GLU C C 175.606 0.1 . 1273 248 248 GLU CA C 58.397 0.1 . 1274 248 248 GLU CB C 28.175 0.1 . 1275 248 248 GLU CG C 38.001 0.1 . 1276 248 248 GLU CD C 181.879 0.1 . 1277 248 248 GLU N N 119.044 0.1 . 1278 249 249 GLY C C 171.417 0.1 . 1279 249 249 GLY CA C 45.912 0.1 . 1280 249 249 GLY N N 109.914 0.1 . 1281 250 250 ARG C C 176.704 0.1 . 1282 250 250 ARG CA C 54.397 0.1 . 1283 250 250 ARG CB C 27.611 0.1 . 1284 250 250 ARG CG C 25.616 0.1 . 1285 250 250 ARG CD C 41.900 0.1 . 1286 250 250 ARG N N 123.504 0.1 . 1287 251 251 ALA C C 175.001 0.1 . 1288 251 251 ALA CA C 54.609 0.1 . 1289 251 251 ALA CB C 18.205 0.1 . 1290 251 251 ALA N N 121.310 0.1 . 1291 252 252 MET C C 175.600 0.1 . 1292 252 252 MET CA C 54.004 0.1 . 1293 252 252 MET CB C 34.581 0.1 . 1294 252 252 MET CG C 32.809 0.1 . 1295 252 252 MET CE C 17.498 0.1 . 1296 252 252 MET N N 120.404 0.1 . 1297 253 253 LEU C C 178.680 0.1 . 1298 253 253 LEU CA C 54.498 0.1 . 1299 253 253 LEU CB C 43.299 0.1 . 1300 253 253 LEU CG C 27.400 0.1 . 1301 253 253 LEU CD1 C 22.800 0.1 . 1302 253 253 LEU CD2 C 21.609 0.1 . 1303 253 253 LEU N N 120.500 0.1 . 1304 254 254 LEU C C 174.591 0.1 . 1305 254 254 LEU CA C 54.470 0.1 . 1306 254 254 LEU CB C 45.601 0.1 . 1307 254 254 LEU CG C 27.201 0.1 . 1308 254 254 LEU CD1 C 23.099 0.1 . 1309 254 254 LEU CD2 C 21.701 0.1 . 1310 254 254 LEU N N 119.700 0.1 . 1311 255 255 VAL C C 178.248 0.1 . 1312 255 255 VAL CA C 60.300 0.1 . 1313 255 255 VAL CB C 34.301 0.1 . 1314 255 255 VAL CG1 C 22.200 0.1 . 1315 255 255 VAL CG2 C 21.200 0.1 . 1316 255 255 VAL N N 118.000 0.1 . 1317 256 256 MET C C 174.701 0.1 . 1318 256 256 MET CA C 54.999 0.1 . 1319 256 256 MET CB C 35.855 0.1 . 1320 256 256 MET CG C 34.743 0.1 . 1321 256 256 MET CE C 18.203 0.1 . 1322 256 256 MET N N 117.600 0.1 . 1323 257 257 ILE C C 178.411 0.1 . 1324 257 257 ILE CA C 59.001 0.1 . 1325 257 257 ILE CB C 42.049 0.1 . 1326 257 257 ILE CG1 C 27.447 0.1 . 1327 257 257 ILE CG2 C 20.709 0.1 . 1328 257 257 ILE CD1 C 13.609 0.1 . 1329 257 257 ILE N N 117.600 0.1 . 1330 258 258 GLU C C 178.571 0.1 . 1331 258 258 GLU CA C 56.422 0.1 . 1332 258 258 GLU CB C 30.631 0.1 . 1333 258 258 GLU CG C 37.319 0.1 . 1334 258 258 GLU CD C 182.231 0.1 . 1335 258 258 GLU N N 118.000 0.1 . 1336 259 259 GLY C C 172.470 0.1 . 1337 259 259 GLY CA C 44.202 0.1 . 1338 259 259 GLY N N 104.985 0.1 . 1339 260 260 SER C C 175.103 0.1 . 1340 260 260 SER CA C 55.103 0.1 . 1341 260 260 SER CB C 65.099 0.1 . 1342 260 260 SER N N 121.100 0.1 . 1343 261 261 ASP C C 177.743 0.1 . 1344 261 261 ASP CA C 55.702 0.1 . 1345 261 261 ASP CB C 42.701 0.1 . 1346 261 261 ASP CG C 179.304 0.1 . 1347 261 261 ASP N N 120.100 0.1 . 1348 262 262 GLU C C 175.719 0.1 . 1349 262 262 GLU CA C 58.100 0.1 . 1350 262 262 GLU CB C 31.695 0.1 . 1351 262 262 GLU CG C 35.700 0.1 . 1352 262 262 GLU CD C 182.624 0.1 . 1353 262 262 GLU N N 117.900 0.1 . 1354 263 263 THR C C 175.928 0.1 . 1355 263 263 THR CA C 60.100 0.1 . 1356 263 263 THR CB C 67.700 0.1 . 1357 263 263 THR CG2 C 21.200 0.1 . 1358 263 263 THR N N 118.600 0.1 . 1359 264 264 THR C C 173.297 0.1 . 1360 264 264 THR CA C 60.500 0.1 . 1361 264 264 THR CB C 69.601 0.1 . 1362 264 264 THR CG2 C 21.399 0.1 . 1363 264 264 THR N N 123.600 0.1 . 1364 265 265 ALA C C 175.400 0.1 . 1365 265 265 ALA CA C 50.401 0.1 . 1366 265 265 ALA CB C 20.299 0.1 . 1367 265 265 ALA N N 129.700 0.1 . 1368 266 266 GLN C C 174.528 0.1 . 1369 266 266 GLN CA C 54.721 0.1 . 1370 266 266 GLN CB C 31.300 0.1 . 1371 266 266 GLN CG C 32.602 0.1 . 1372 266 266 GLN CD C 180.402 0.1 . 1373 266 266 GLN N N 122.140 0.1 . 1374 267 267 VAL C C 176.403 0.1 . 1375 267 267 VAL CA C 61.099 0.1 . 1376 267 267 VAL CB C 34.900 0.1 . 1377 267 267 VAL CG1 C 20.395 0.1 . 1378 267 267 VAL CG2 C 20.144 0.1 . 1379 267 267 VAL N N 123.400 0.1 . 1380 268 268 MET C C 176.601 0.1 . 1381 268 268 MET CA C 54.200 0.1 . 1382 268 268 MET CB C 35.400 0.1 . 1383 268 268 MET CG C 33.400 0.1 . 1384 268 268 MET CE C 17.600 0.1 . 1385 268 268 MET N N 126.000 0.1 . 1386 269 269 GLN C C 174.900 0.1 . 1387 269 269 GLN CA C 55.200 0.1 . 1388 269 269 GLN CB C 33.227 0.1 . 1389 269 269 GLN CG C 34.700 0.1 . 1390 269 269 GLN CD C 177.700 0.1 . 1391 269 269 GLN N N 117.200 0.1 . 1392 270 270 ALA C C 175.001 0.1 . 1393 270 270 ALA CA C 52.243 0.1 . 1394 270 270 ALA CB C 21.700 0.1 . 1395 270 270 ALA N N 125.000 0.1 . 1396 271 271 ARG C C 174.800 0.1 . 1397 271 271 ARG CA C 54.375 0.1 . 1398 271 271 ARG CB C 31.596 0.1 . 1399 271 271 ARG CG C 26.836 0.1 . 1400 271 271 ARG CD C 44.236 0.1 . 1401 271 271 ARG N N 126.200 0.1 . 1402 272 272 HIS C C 176.100 0.1 . 1403 272 272 HIS CA C 54.100 0.1 . 1404 272 272 HIS CB C 33.100 0.1 . 1405 272 272 HIS CG C 131.300 0.1 . 1406 272 272 HIS N N 121.400 0.1 . 1407 273 273 ALA C C 175.443 0.1 . 1408 273 273 ALA CA C 52.712 0.1 . 1409 273 273 ALA CB C 19.100 0.1 . 1410 273 273 ALA N N 127.700 0.1 . 1411 274 274 TRP C C 178.200 0.1 . 1412 274 274 TRP CA C 58.681 0.1 . 1413 274 274 TRP CB C 32.851 0.1 . 1414 274 274 TRP CG C 113.500 0.1 . 1415 274 274 TRP N N 123.688 0.1 . 1416 275 275 GLU C C 174.500 0.1 . 1417 275 275 GLU CA C 55.401 0.1 . 1418 275 275 GLU CB C 31.316 0.1 . 1419 275 275 GLU CG C 34.102 0.1 . 1420 275 275 GLU CD C 182.909 0.1 . 1421 275 275 GLU N N 115.800 0.1 . 1422 276 276 HIS C C 175.717 0.1 . 1423 276 276 HIS CA C 59.903 0.1 . 1424 276 276 HIS CB C 27.254 0.1 . 1425 276 276 HIS CG C 133.800 0.1 . 1426 276 276 HIS N N 122.278 0.1 . 1427 277 277 ASP C C 178.601 0.1 . 1428 277 277 ASP CA C 55.900 0.1 . 1429 277 277 ASP CB C 39.400 0.1 . 1430 277 277 ASP CG C 176.000 0.1 . 1431 277 277 ASP N N 122.500 0.1 . 1432 278 278 ASP C C 176.600 0.1 . 1433 278 278 ASP CA C 55.602 0.1 . 1434 278 278 ASP CB C 37.803 0.1 . 1435 278 278 ASP CG C 178.600 0.1 . 1436 278 278 ASP N N 117.880 0.1 . 1437 279 279 ILE C C 176.947 0.1 . 1438 279 279 ILE CA C 57.900 0.1 . 1439 279 279 ILE CB C 41.200 0.1 . 1440 279 279 ILE CG1 C 27.500 0.1 . 1441 279 279 ILE CG2 C 17.108 0.1 . 1442 279 279 ILE CD1 C 14.330 0.1 . 1443 279 279 ILE N N 120.200 0.1 . 1444 280 280 ARG C C 174.613 0.1 . 1445 280 280 ARG CA C 55.104 0.1 . 1446 280 280 ARG CB C 34.775 0.1 . 1447 280 280 ARG CG C 26.900 0.1 . 1448 280 280 ARG CD C 42.119 0.1 . 1449 280 280 ARG N N 122.317 0.1 . 1450 281 281 TRP C C 178.158 0.1 . 1451 281 281 TRP CA C 55.700 0.1 . 1452 281 281 TRP CB C 33.300 0.1 . 1453 281 281 TRP CG C 113.406 0.1 . 1454 281 281 TRP N N 124.600 0.1 . 1455 282 282 HIS C C 178.914 0.1 . 1456 282 282 HIS CA C 59.500 0.1 . 1457 282 282 HIS CB C 25.700 0.1 . 1458 282 282 HIS CD2 C 122.600 0.1 . 1459 282 282 HIS N N 115.700 0.1 . 1460 283 283 HIS C C 179.805 0.1 . 1461 283 283 HIS CA C 58.200 0.1 . 1462 283 283 HIS CB C 27.051 0.1 . 1463 283 283 HIS CG C 135.700 0.1 . 1464 283 283 HIS N N 119.800 0.1 . 1465 284 284 ARG C C 179.106 0.1 . 1466 284 284 ARG CA C 55.243 0.1 . 1467 284 284 ARG CB C 32.304 0.1 . 1468 284 284 ARG CG C 27.700 0.1 . 1469 284 284 ARG CD C 41.001 0.1 . 1470 284 284 ARG N N 124.100 0.1 . 1471 285 285 TYR C C 176.000 0.1 . 1472 285 285 TYR CA C 61.700 0.1 . 1473 285 285 TYR CB C 39.600 0.1 . 1474 285 285 TYR CG C 132.200 0.1 . 1475 285 285 TYR N N 121.305 0.1 . 1476 286 286 VAL C C 178.610 0.1 . 1477 286 286 VAL CA C 61.681 0.1 . 1478 286 286 VAL CB C 32.518 0.1 . 1479 286 286 VAL CG1 C 22.502 0.1 . 1480 286 286 VAL CG2 C 21.300 0.1 . 1481 286 286 VAL N N 124.404 0.1 . 1482 287 287 ASP C C 174.582 0.1 . 1483 287 287 ASP CA C 55.601 0.1 . 1484 287 287 ASP CB C 44.264 0.1 . 1485 287 287 ASP CG C 176.709 0.1 . 1486 287 287 ASP N N 121.100 0.1 . 1487 288 288 LEU C C 176.900 0.1 . 1488 288 288 LEU CA C 57.800 0.1 . 1489 288 288 LEU CB C 40.997 0.1 . 1490 288 288 LEU CG C 26.552 0.1 . 1491 288 288 LEU CD1 C 23.505 0.1 . 1492 288 288 LEU CD2 C 22.706 0.1 . 1493 288 288 LEU N N 116.200 0.1 . 1494 289 289 MET C C 178.400 0.1 . 1495 289 289 MET CA C 55.640 0.1 . 1496 289 289 MET CB C 34.008 0.1 . 1497 289 289 MET CG C 31.607 0.1 . 1498 289 289 MET CE C 17.698 0.1 . 1499 289 289 MET N N 119.200 0.1 . 1500 290 290 SER C C 176.898 0.1 . 1501 290 290 SER CA C 56.851 0.1 . 1502 290 290 SER CB C 63.505 0.1 . 1503 290 290 SER N N 121.300 0.1 . 1504 291 291 ASP C C 174.703 0.1 . 1505 291 291 ASP CA C 54.798 0.1 . 1506 291 291 ASP CB C 40.679 0.1 . 1507 291 291 ASP CG C 176.100 0.1 . 1508 291 291 ASP N N 124.205 0.1 . 1509 292 292 VAL C C 174.597 0.1 . 1510 292 292 VAL CA C 60.803 0.1 . 1511 292 292 VAL CB C 33.347 0.1 . 1512 292 292 VAL CG1 C 21.297 0.1 . 1513 292 292 VAL CG2 C 21.604 0.1 . 1514 292 292 VAL N N 122.730 0.1 . 1515 293 293 ASP C C 177.775 0.1 . 1516 293 293 ASP CA C 54.702 0.1 . 1517 293 293 ASP CB C 43.059 0.1 . 1518 293 293 ASP CG C 174.802 0.1 . 1519 293 293 ASP N N 125.862 0.1 . 1520 294 294 GLY C C 173.501 0.1 . 1521 294 294 GLY CA C 45.500 0.1 . 1522 294 294 GLY N N 106.900 0.1 . 1523 295 295 MET C C 176.994 0.1 . 1524 295 295 MET CA C 54.500 0.1 . 1525 295 295 MET CB C 33.740 0.1 . 1526 295 295 MET CG C 31.691 0.1 . 1527 295 295 MET CE C 18.000 0.1 . 1528 295 295 MET N N 121.200 0.1 . 1529 296 296 THR C C 176.103 0.1 . 1530 296 296 THR CA C 60.905 0.1 . 1531 296 296 THR CB C 70.200 0.1 . 1532 296 296 THR CG2 C 21.542 0.1 . 1533 296 296 THR N N 118.996 0.1 . 1534 297 297 HIS C C 174.500 0.1 . 1535 297 297 HIS CA C 55.205 0.1 . 1536 297 297 HIS CB C 34.700 0.1 . 1537 297 297 HIS CG C 130.304 0.1 . 1538 297 297 HIS N N 126.013 0.1 . 1539 298 298 ILE C C 174.505 0.1 . 1540 298 298 ILE CA C 60.396 0.1 . 1541 298 298 ILE CB C 39.778 0.1 . 1542 298 298 ILE CG1 C 27.196 0.1 . 1543 298 298 ILE CG2 C 18.500 0.1 . 1544 298 298 ILE CD1 C 14.500 0.1 . 1545 298 298 ILE N N 126.300 0.1 . 1546 299 299 ASP C C 177.215 0.1 . 1547 299 299 ASP CA C 54.468 0.1 . 1548 299 299 ASP CB C 41.603 0.1 . 1549 299 299 ASP CG C 175.900 0.1 . 1550 299 299 ASP N N 125.800 0.1 . 1551 300 300 TYR C C 176.035 0.1 . 1552 300 300 TYR CA C 54.998 0.1 . 1553 300 300 TYR CB C 39.300 0.1 . 1554 300 300 TYR CG C 131.103 0.1 . 1555 300 300 TYR CD1 C 136.701 0.1 . 1556 300 300 TYR N N 118.200 0.1 . 1557 301 301 THR CA C 61.698 0.1 . 1558 301 301 THR CB C 68.399 0.1 . 1559 301 301 THR CG2 C 22.200 0.1 . 1560 301 301 THR N N 119.900 0.1 . stop_ save_ save_assigned_chemical_shifts_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D NCACX' '3D NCOCX' '3D CANcoCA' 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 'Kirbac1.1, chain 1' _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 71 71 PHE C C 178.686 0.1 . 2 71 71 PHE CA C 61.911 0.1 . 3 71 71 PHE CB C 39.198 0.1 . 4 71 71 PHE N N 120.908 0.1 . 5 72 72 VAL C C 179.126 0.1 . 6 72 72 VAL CA C 68.730 0.1 . 7 72 72 VAL CB C 31.370 0.1 . 8 72 72 VAL CG1 C 24.125 0.1 . 9 72 72 VAL CG2 C 22.023 0.1 . 10 72 72 VAL N N 123.118 0.1 . 11 73 73 VAL C C 177.694 0.1 . 12 73 73 VAL CA C 68.077 0.1 . 13 73 73 VAL CB C 31.498 0.1 . 14 73 73 VAL CG1 C 24.056 0.1 . 15 73 73 VAL CG2 C 21.855 0.1 . 16 73 73 VAL N N 122.771 0.1 . 17 98 98 VAL C C 178.272 0.1 . 18 98 98 VAL CA C 61.040 0.1 . 19 99 99 GLY C C 175.572 0.1 . 20 99 99 GLY CA C 46.930 0.1 . 21 99 99 GLY N N 105.396 0.1 . 22 100 100 ALA CA C 55.700 0.1 . 23 100 100 ALA N N 119.018 0.1 . 24 110 110 THR CA C 61.200 0.1 . 25 110 110 THR N N 112.609 0.1 . 26 111 111 VAL C C 178.126 0.1 . 27 111 111 VAL CA C 65.160 0.1 . 28 111 111 VAL CB C 31.267 0.1 . 29 111 111 VAL N N 120.424 0.1 . 30 112 112 GLY C C 175.633 0.1 . 31 112 112 GLY CA C 48.461 0.1 . 32 112 112 GLY N N 107.468 0.1 . 33 133 133 VAL CA C 64.989 0.1 . 34 134 134 GLY CA C 48.347 0.1 . 35 134 134 GLY N N 107.513 0.1 . 36 136 136 SER C C 175.983 0.1 . 37 136 136 SER CA C 62.886 0.1 . 38 136 136 SER CB C 62.525 0.1 . 39 136 136 SER N N 114.300 0.1 . 40 137 137 GLY C C 175.572 0.1 . 41 137 137 GLY CA C 48.009 0.1 . 42 137 137 GLY N N 110.249 0.1 . 43 138 138 ILE C C 178.476 0.1 . 44 138 138 ILE CA C 66.829 0.1 . 45 138 138 ILE CB C 37.748 0.1 . 46 138 138 ILE CG1 C 28.015 0.1 . 47 138 138 ILE CG2 C 27.992 0.1 . 48 138 138 ILE N N 120.404 0.1 . 49 142 142 THR C C 176.204 0.1 . 50 142 142 THR CA C 67.924 0.1 . 51 142 142 THR CB C 68.894 0.1 . 52 142 142 THR CG2 C 21.466 0.1 . 53 142 142 THR N N 118.905 0.1 . 54 143 143 GLY C C 175.814 0.1 . 55 143 143 GLY CA C 46.600 0.1 . 56 143 143 GLY N N 110.285 0.1 . 57 144 144 LEU C C 178.740 0.1 . 58 144 144 LEU CA C 58.879 0.1 . 59 144 144 LEU CB C 41.723 0.1 . 60 144 144 LEU CG C 27.811 0.1 . 61 144 144 LEU CD1 C 24.550 0.1 . 62 144 144 LEU CD2 C 24.250 0.1 . 63 144 144 LEU N N 124.417 0.1 . 64 145 145 VAL CA C 66.898 0.1 . 65 145 145 VAL CB C 32.550 0.1 . 66 145 145 VAL N N 117.255 0.1 . 67 172 172 THR CG2 C 21.937 0.1 . stop_ save_