data_50135 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; KirBac1.1_POPC ; _BMRB_accession_number 50135 _BMRB_flat_file_name bmr50135.str _Entry_type original _Submission_date 2019-12-16 _Accession_date 2019-12-16 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'chemical shift assignment of KirBac1.1 in POPC bilayers in the solid state' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Amani Reza . . 2 Wylie Benjamin J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "13C chemical shifts" 1280 "15N chemical shifts" 303 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' 2019-12-20 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 50123 'KirBac1.1 in POPC:POPG micelle' stop_ _Original_release_date 2019-12-17 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 . loop_ _Keyword 'Solid State NMR, Potassium channel, Allostery, Lipid Activation, Membrane Protein' stop_ save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name 'KirBac1.1 1p7b' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'KirBac1.1 in PC bilayers, conformer 1' $entity_1 'KirBac1.1 in PC bilayers, conformer 2' $entity_1 stop_ _System_molecular_weight 148000 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'potassium channel' stop_ _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 . loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1p7b KirBac1.1 . . . . . stop_ 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_name _Details $entity_1 'purified from the natural source' . . . . . 'extracted and purified from E.coli.' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solid _Details 'KirBac1.1 in POPC bilayers' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling H2O 55.5 M 'natural abundance' KCl 50 mM 'natural abundance' TRIS 50 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' POPC 50 % 'natural abundance' $entity_1 50 % '[U-100% 13C; U-100% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Agilent _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_ save_2D_C-C_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D C-C' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details 'KirBac1.1 in POPC bilayers' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 7.5 . pH pressure 1 . atm temperature 253 . 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 nitrogen ppm 37.6 external indirect . . . 0.40316395 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 'Assigned chemical shift for residues from 58 to 150 of KirBac1.1 in POPC.' loop_ _Experiment_label '3D NCACX' '3D NCOCX' '3D CANcoCA' '2D C-C' 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 in PC bilayers, conformer 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 177.537 0.1 . 2 2 2 ASN CA C 55.400 0.1 . 3 2 2 ASN CB C 37.554 0.1 . 4 2 2 ASN CG C 179.531 0.1 . 5 2 2 ASN N N 114.600 0.1 . 6 3 3 VAL C C 177.395 0.1 . 7 3 3 VAL CA C 65.693 0.1 . 8 3 3 VAL CB C 31.322 0.1 . 9 3 3 VAL CG1 C 23.917 0.1 . 10 3 3 VAL N N 116.107 0.1 . 11 4 4 ASP CA C 55.399 0.1 . 12 4 4 ASP CB C 37.721 0.1 . 13 4 4 ASP N N 120.402 0.1 . 14 5 5 PRO C C 175.831 0.1 . 15 5 5 PRO CA C 62.100 0.1 . 16 5 5 PRO CB C 30.509 0.1 . 17 5 5 PRO CG C 27.110 0.1 . 18 5 5 PRO CD C 51.300 0.1 . 19 5 5 PRO N N 135.600 0.1 . 20 6 6 PHE C C 176.516 0.1 . 21 6 6 PHE CA C 59.026 0.1 . 22 6 6 PHE CB C 36.967 0.1 . 23 6 6 PHE CG C 138.771 0.1 . 24 6 6 PHE N N 119.492 0.1 . 25 7 7 SER C C 178.600 0.1 . 26 7 7 SER CA C 62.180 0.1 . 27 7 7 SER CB C 62.852 0.1 . 28 7 7 SER N N 120.503 0.1 . 29 8 8 PRO C C 176.006 0.1 . 30 8 8 PRO CA C 63.530 0.1 . 31 8 8 PRO CB C 31.399 0.1 . 32 8 8 PRO CG C 27.312 0.1 . 33 8 8 PRO CD C 51.342 0.1 . 34 8 8 PRO N N 130.906 0.1 . 35 9 9 HIS C C 177.294 0.1 . 36 9 9 HIS CA C 55.722 0.1 . 37 9 9 HIS CB C 31.585 0.1 . 38 9 9 HIS CG C 132.712 0.1 . 39 9 9 HIS N N 119.996 0.1 . 40 10 10 SER C C 177.301 0.1 . 41 10 10 SER CA C 54.121 0.1 . 42 10 10 SER CB C 62.643 0.1 . 43 10 10 SER N N 118.199 0.1 . 44 11 11 SER C C 174.679 0.1 . 45 11 11 SER CA C 55.007 0.1 . 46 11 11 SER CB C 64.626 0.1 . 47 11 11 SER N N 125.099 0.1 . 48 12 12 ASP C C 175.390 0.1 . 49 12 12 ASP CA C 54.202 0.1 . 50 12 12 ASP CB C 41.920 0.1 . 51 12 12 ASP CG C 178.358 0.1 . 52 12 12 ASP N N 121.494 0.1 . 53 13 13 SER C C 175.545 0.1 . 54 13 13 SER CA C 61.621 0.1 . 55 13 13 SER CB C 61.106 0.1 . 56 13 13 SER N N 123.596 0.1 . 57 14 14 PHE C C 175.602 0.1 . 58 14 14 PHE CA C 59.912 0.1 . 59 14 14 PHE CB C 37.574 0.1 . 60 14 14 PHE CD1 C 140.309 0.1 . 61 14 14 PHE CD2 C 140.309 0.1 . 62 14 14 PHE N N 123.707 0.1 . 63 15 15 ALA C C 178.968 0.1 . 64 15 15 ALA CA C 55.013 0.1 . 65 15 15 ALA CB C 17.705 0.1 . 66 15 15 ALA N N 124.001 0.1 . 67 16 16 GLN C C 174.658 0.1 . 68 16 16 GLN CA C 59.012 0.1 . 69 16 16 GLN CB C 29.218 0.1 . 70 16 16 GLN CG C 30.128 0.1 . 71 16 16 GLN CD C 180.523 0.1 . 72 16 16 GLN N N 119.996 0.1 . 73 17 17 ALA C C 176.565 0.1 . 74 17 17 ALA CA C 51.438 0.1 . 75 17 17 ALA CB C 22.500 0.1 . 76 17 17 ALA N N 128.009 0.1 . 77 18 18 ALA C C 180.376 0.1 . 78 18 18 ALA CA C 55.703 0.1 . 79 18 18 ALA CB C 22.015 0.1 . 80 18 18 ALA N N 120.395 0.1 . 81 19 19 SER CA C 63.405 0.1 . 82 19 19 SER CB C 62.360 0.1 . 83 19 19 SER N N 115.505 0.1 . 84 20 20 PRO C C 175.750 0.1 . 85 20 20 PRO CA C 63.719 0.1 . 86 20 20 PRO CB C 31.399 0.1 . 87 20 20 PRO CG C 27.231 0.1 . 88 20 20 PRO CD C 51.307 0.1 . 89 20 20 PRO N N 130.790 0.1 . 90 21 21 ALA C C 178.993 0.1 . 91 21 21 ALA CA C 55.726 0.1 . 92 21 21 ALA CB C 18.251 0.1 . 93 21 21 ALA N N 123.098 0.1 . 94 22 22 ARG C C 175.365 0.1 . 95 22 22 ARG CA C 55.422 0.1 . 96 22 22 ARG CB C 31.828 0.1 . 97 22 22 ARG CG C 25.839 0.1 . 98 22 22 ARG CD C 43.900 0.1 . 99 22 22 ARG N N 117.396 0.1 . 100 23 23 LYS CA C 57.407 0.1 . 101 23 23 LYS CB C 32.419 0.1 . 102 23 23 LYS CG C 28.008 0.1 . 103 23 23 LYS N N 117.502 0.1 . 104 24 24 PRO C C 173.149 0.1 . 105 24 24 PRO CA C 61.841 0.1 . 106 24 24 PRO CD C 50.900 0.1 . 107 24 24 PRO N N 138.058 0.1 . 108 25 25 PRO C C 173.801 0.1 . 109 25 25 PRO CA C 61.881 0.1 . 110 25 25 PRO CB C 30.468 0.1 . 111 25 25 PRO CG C 28.121 0.1 . 112 25 25 PRO CD C 49.810 0.1 . 113 25 25 PRO N N 133.900 0.1 . 114 26 26 ARG C C 177.269 0.1 . 115 26 26 ARG CA C 54.030 0.1 . 116 26 26 ARG CB C 31.642 0.1 . 117 26 26 ARG CG C 27.341 0.1 . 118 26 26 ARG CD C 41.700 0.1 . 119 26 26 ARG N N 126.700 0.1 . 120 27 27 GLY C C 176.994 0.1 . 121 27 27 GLY CA C 47.642 0.1 . 122 27 27 GLY N N 106.499 0.1 . 123 28 28 GLY C C 175.734 0.1 . 124 28 28 GLY CA C 47.635 0.1 . 125 28 28 GLY N N 107.791 0.1 . 126 29 29 ARG C C 176.269 0.1 . 127 29 29 ARG CA C 58.812 0.1 . 128 29 29 ARG CB C 32.824 0.1 . 129 29 29 ARG CG C 27.336 0.1 . 130 29 29 ARG CD C 42.693 0.1 . 131 29 29 ARG N N 124.994 0.1 . 132 30 30 ARG C C 176.115 0.1 . 133 30 30 ARG CA C 58.408 0.1 . 134 30 30 ARG CB C 32.334 0.1 . 135 30 30 ARG CG C 27.255 0.1 . 136 30 30 ARG CD C 43.500 0.1 . 137 30 30 ARG N N 117.597 0.1 . 138 31 31 ILE C C 176.612 0.1 . 139 31 31 ILE CA C 58.900 0.1 . 140 31 31 ILE CB C 40.731 0.1 . 141 31 31 ILE CG1 C 27.640 0.1 . 142 31 31 ILE CG2 C 17.277 0.1 . 143 31 31 ILE CD1 C 14.720 0.1 . 144 31 31 ILE N N 125.296 0.1 . 145 32 32 TRP C C 177.719 0.1 . 146 32 32 TRP CA C 56.667 0.1 . 147 32 32 TRP CB C 29.501 0.1 . 148 32 32 TRP CG C 111.304 0.1 . 149 32 32 TRP N N 119.800 0.1 . 150 33 33 SER C C 176.200 0.1 . 151 33 33 SER CA C 57.711 0.1 . 152 33 33 SER CB C 67.460 0.1 . 153 33 33 SER N N 121.389 0.1 . 154 34 34 GLY C C 172.699 0.1 . 155 34 34 GLY CA C 43.910 0.1 . 156 34 34 GLY N N 110.206 0.1 . 157 35 35 THR C C 174.529 0.1 . 158 35 35 THR CA C 62.231 0.1 . 159 35 35 THR CB C 71.485 0.1 . 160 35 35 THR CG2 C 21.590 0.1 . 161 35 35 THR N N 120.694 0.1 . 162 36 36 ARG C C 178.445 0.1 . 163 36 36 ARG CA C 59.413 0.1 . 164 36 36 ARG CB C 29.906 0.1 . 165 36 36 ARG CG C 28.469 0.1 . 166 36 36 ARG CD C 41.621 0.1 . 167 36 36 ARG N N 116.000 0.1 . 168 37 37 GLU C C 173.814 0.1 . 169 37 37 GLU CA C 55.442 0.1 . 170 37 37 GLU CB C 33.609 0.1 . 171 37 37 GLU CG C 37.756 0.1 . 172 37 37 GLU CD C 183.847 0.1 . 173 37 37 GLU N N 120.000 0.1 . 174 38 38 VAL C C 178.204 0.1 . 175 38 38 VAL CA C 66.560 0.1 . 176 38 38 VAL CB C 31.165 0.1 . 177 38 38 VAL CG1 C 23.634 0.1 . 178 38 38 VAL CG2 C 21.691 0.1 . 179 38 38 VAL N N 120.000 0.1 . 180 39 39 ILE C C 177.821 0.1 . 181 39 39 ILE CA C 66.609 0.1 . 182 39 39 ILE CB C 38.404 0.1 . 183 39 39 ILE CG1 C 29.497 0.1 . 184 39 39 ILE CG2 C 18.200 0.1 . 185 39 39 ILE CD1 C 14.200 0.1 . 186 39 39 ILE N N 119.204 0.1 . 187 40 40 ALA C C 178.596 0.1 . 188 40 40 ALA CA C 55.524 0.1 . 189 40 40 ALA CB C 18.312 0.1 . 190 40 40 ALA N N 117.998 0.1 . 191 41 41 TYR C C 178.485 0.1 . 192 41 41 TYR CA C 58.728 0.1 . 193 41 41 TYR CB C 38.611 0.1 . 194 41 41 TYR CG C 134.765 0.1 . 195 41 41 TYR N N 122.604 0.1 . 196 42 42 GLY C C 174.409 0.1 . 197 42 42 GLY CA C 47.208 0.1 . 198 42 42 GLY N N 107.030 0.1 . 199 43 43 MET C C 176.893 0.1 . 200 43 43 MET CA C 55.296 0.1 . 201 43 43 MET CB C 34.200 0.1 . 202 43 43 MET CG C 31.286 0.1 . 203 43 43 MET CE C 17.284 0.1 . 204 43 43 MET N N 120.795 0.1 . 205 44 44 PRO C C 175.392 0.1 . 206 44 44 PRO CA C 64.202 0.1 . 207 44 44 PRO CB C 28.121 0.1 . 208 44 44 PRO CG C 26.624 0.1 . 209 44 44 PRO CD C 50.417 0.1 . 210 44 44 PRO N N 138.867 0.1 . 211 45 45 ALA C C 180.992 0.1 . 212 45 45 ALA CA C 55.212 0.1 . 213 45 45 ALA CB C 18.191 0.1 . 214 45 45 ALA N N 122.603 0.1 . 215 46 46 SER C C 176.501 0.1 . 216 46 46 SER CA C 62.259 0.1 . 217 46 46 SER CB C 63.229 0.1 . 218 46 46 SER N N 120.582 0.1 . 219 47 47 VAL C C 178.086 0.1 . 220 47 47 VAL CA C 66.720 0.1 . 221 47 47 VAL CB C 31.504 0.1 . 222 47 47 VAL CG1 C 23.188 0.1 . 223 47 47 VAL CG2 C 21.529 0.1 . 224 47 47 VAL N N 123.004 0.1 . 225 48 48 TRP C C 178.002 0.1 . 226 48 48 TRP CA C 59.488 0.1 . 227 48 48 TRP CB C 30.068 0.1 . 228 48 48 TRP CG C 110.718 0.1 . 229 48 48 TRP N N 119.649 0.1 . 230 49 49 ARG C C 178.103 0.1 . 231 49 49 ARG CA C 58.134 0.1 . 232 49 49 ARG CB C 27.239 0.1 . 233 49 49 ARG CG C 28.302 0.1 . 234 49 49 ARG CD C 41.105 0.1 . 235 49 49 ARG N N 120.695 0.1 . 236 50 50 ASP C C 177.233 0.1 . 237 50 50 ASP CA C 56.323 0.1 . 238 50 50 ASP CB C 37.599 0.1 . 239 50 50 ASP CG C 179.005 0.1 . 240 50 50 ASP N N 120.194 0.1 . 241 51 51 LEU C C 178.013 0.1 . 242 51 51 LEU CA C 57.990 0.1 . 243 51 51 LEU CB C 41.540 0.1 . 244 51 51 LEU CG C 26.426 0.1 . 245 51 51 LEU CD1 C 23.330 0.1 . 246 51 51 LEU CD2 C 22.784 0.1 . 247 51 51 LEU N N 116.005 0.1 . 248 52 52 TYR C C 175.089 0.1 . 249 52 52 TYR CA C 61.527 0.1 . 250 52 52 TYR CB C 37.593 0.1 . 251 52 52 TYR CG C 131.497 0.1 . 252 52 52 TYR N N 120.005 0.1 . 253 53 53 TYR C C 178.110 0.1 . 254 53 53 TYR CA C 62.201 0.1 . 255 53 53 TYR CB C 37.473 0.1 . 256 53 53 TYR CG C 132.200 0.1 . 257 53 53 TYR N N 120.255 0.1 . 258 54 54 TRP C C 177.009 0.1 . 259 54 54 TRP CA C 61.824 0.1 . 260 54 54 TRP CB C 29.020 0.1 . 261 54 54 TRP CG C 111.293 0.1 . 262 54 54 TRP N N 121.202 0.1 . 263 55 55 ALA C C 179.041 0.1 . 264 55 55 ALA CA C 55.711 0.1 . 265 55 55 ALA CB C 18.316 0.1 . 266 55 55 ALA N N 120.992 0.1 . 267 56 56 LEU C C 178.018 0.1 . 268 56 56 LEU CA C 57.791 0.1 . 269 56 56 LEU CB C 41.580 0.1 . 270 56 56 LEU CG C 26.992 0.1 . 271 56 56 LEU CD1 C 24.241 0.1 . 272 56 56 LEU CD2 C 22.844 0.1 . 273 56 56 LEU N N 118.498 0.1 . 274 57 57 LYS C C 176.578 0.1 . 275 57 57 LYS CA C 57.808 0.1 . 276 57 57 LYS CB C 31.605 0.1 . 277 57 57 LYS CG C 26.851 0.1 . 278 57 57 LYS CD C 29.663 0.1 . 279 57 57 LYS N N 119.996 0.1 . 280 58 58 VAL C C 177.381 0.1 . 281 58 58 VAL CA C 67.400 0.1 . 282 58 58 VAL CB C 31.484 0.1 . 283 58 58 VAL CG1 C 23.431 0.1 . 284 58 58 VAL CG2 C 22.035 0.1 . 285 58 58 VAL N N 120.200 0.1 . 286 59 59 SER C C 178.600 0.1 . 287 59 59 SER CA C 61.492 0.1 . 288 59 59 SER CB C 62.482 0.1 . 289 59 59 SER N N 117.111 0.1 . 290 60 60 TRP C C 176.900 0.1 . 291 60 60 TRP CA C 59.300 0.1 . 292 60 60 TRP CG C 105.800 0.1 . 293 60 60 TRP N N 123.600 0.1 . 294 61 61 PRO C C 175.700 0.1 . 295 61 61 PRO CA C 64.000 0.1 . 296 61 61 PRO CB C 32.200 0.1 . 297 61 61 PRO CG C 27.000 0.1 . 298 61 61 PRO CD C 50.200 0.1 . 299 61 61 PRO N N 138.700 0.1 . 300 62 62 VAL C C 177.300 0.1 . 301 62 62 VAL CA C 68.200 0.1 . 302 62 62 VAL CB C 31.300 0.1 . 303 62 62 VAL N N 120.000 0.1 . 304 63 63 PHE C C 176.300 0.1 . 305 63 63 PHE CA C 62.700 0.1 . 306 63 63 PHE N N 120.140 0.1 . 307 64 64 PHE C C 176.300 0.1 . 308 64 64 PHE CA C 62.700 0.1 . 309 64 64 PHE CB C 39.800 0.1 . 310 64 64 PHE N N 123.600 0.1 . 311 65 65 ALA C C 179.100 0.1 . 312 65 65 ALA CA C 55.700 0.1 . 313 65 65 ALA CB C 18.300 0.1 . 314 65 65 ALA N N 118.000 0.1 . 315 66 66 SER C C 176.300 0.1 . 316 66 66 SER CA C 63.100 0.1 . 317 66 66 SER CB C 62.500 0.1 . 318 66 66 SER N N 115.400 0.1 . 319 67 67 LEU C C 179.400 0.1 . 320 67 67 LEU CA C 58.000 0.1 . 321 67 67 LEU CB C 42.000 0.1 . 322 67 67 LEU CG C 27.200 0.1 . 323 67 67 LEU CD1 C 24.000 0.1 . 324 67 67 LEU CD2 C 22.100 0.1 . 325 67 67 LEU N N 122.400 0.1 . 326 68 68 ALA C C 178.600 0.1 . 327 68 68 ALA CA C 55.700 0.1 . 328 68 68 ALA CB C 18.400 0.1 . 329 68 68 ALA N N 123.100 0.1 . 330 69 69 ALA C C 177.300 0.1 . 331 69 69 ALA CA C 55.800 0.1 . 332 69 69 ALA CB C 18.200 0.1 . 333 69 69 ALA N N 123.200 0.1 . 334 70 70 LEU C C 177.900 0.1 . 335 70 70 LEU CA C 57.800 0.1 . 336 70 70 LEU CB C 41.700 0.1 . 337 70 70 LEU CG C 27.200 0.1 . 338 70 70 LEU CD1 C 23.700 0.1 . 339 70 70 LEU CD2 C 21.500 0.1 . 340 70 70 LEU N N 120.800 0.1 . 341 71 71 PHE C C 178.400 0.1 . 342 71 71 PHE CA C 62.300 0.1 . 343 71 71 PHE CB C 37.500 0.1 . 344 71 71 PHE CG C 139.700 0.1 . 345 71 71 PHE CD1 C 131.400 0.1 . 346 71 71 PHE CD2 C 131.400 0.1 . 347 71 71 PHE N N 120.000 0.1 . 348 72 72 VAL C C 177.500 0.1 . 349 72 72 VAL CA C 67.800 0.1 . 350 72 72 VAL CB C 31.450 0.1 . 351 72 72 VAL CG1 C 24.000 0.1 . 352 72 72 VAL CG2 C 22.000 0.1 . 353 72 72 VAL N N 123.400 0.1 . 354 73 73 VAL C C 177.400 0.1 . 355 73 73 VAL CA C 67.800 0.1 . 356 73 73 VAL CB C 31.300 0.1 . 357 73 73 VAL CG1 C 23.700 0.1 . 358 73 73 VAL CG2 C 21.700 0.1 . 359 73 73 VAL N N 120.400 0.1 . 360 74 74 ASN C C 176.400 0.1 . 361 74 74 ASN CA C 58.400 0.1 . 362 74 74 ASN CB C 37.600 0.1 . 363 74 74 ASN N N 121.000 0.1 . 364 75 75 ASN C C 178.700 0.1 . 365 75 75 ASN CA C 55.700 0.1 . 366 75 75 ASN CB C 37.000 0.1 . 367 75 75 ASN N N 119.500 0.1 . 368 76 76 THR C C 175.500 0.1 . 369 76 76 THR CA C 66.600 0.1 . 370 76 76 THR CB C 68.900 0.1 . 371 76 76 THR CG2 C 21.600 0.1 . 372 76 76 THR N N 117.300 0.1 . 373 77 77 LEU C C 178.000 0.1 . 374 77 77 LEU CA C 58.300 0.1 . 375 77 77 LEU CB C 41.600 0.1 . 376 77 77 LEU CG C 26.600 0.1 . 377 77 77 LEU CD1 C 23.600 0.1 . 378 77 77 LEU CD2 C 22.500 0.1 . 379 77 77 LEU N N 124.100 0.1 . 380 78 78 PHE C C 176.200 0.1 . 381 78 78 PHE CA C 60.100 0.1 . 382 78 78 PHE CB C 39.900 0.1 . 383 78 78 PHE CG C 137.600 0.1 . 384 78 78 PHE N N 119.300 0.1 . 385 79 79 ALA C C 179.400 0.1 . 386 79 79 ALA CA C 55.500 0.1 . 387 79 79 ALA CB C 18.300 0.1 . 388 79 79 ALA N N 121.400 0.1 . 389 80 80 LEU C C 178.200 0.1 . 390 80 80 LEU CA C 57.800 0.1 . 391 80 80 LEU CB C 42.300 0.1 . 392 80 80 LEU CG C 26.800 0.1 . 393 80 80 LEU CD1 C 23.700 0.1 . 394 80 80 LEU CD2 C 21.700 0.1 . 395 80 80 LEU N N 118.300 0.1 . 396 81 81 LEU C C 178.000 0.1 . 397 81 81 LEU CA C 58.000 0.1 . 398 81 81 LEU CB C 41.600 0.1 . 399 81 81 LEU CG C 27.000 0.1 . 400 81 81 LEU CD1 C 23.750 0.1 . 401 81 81 LEU CD2 C 21.700 0.1 . 402 81 81 LEU N N 118.700 0.1 . 403 82 82 TYR C C 177.000 0.1 . 404 82 82 TYR CA C 61.300 0.1 . 405 82 82 TYR CB C 39.100 0.1 . 406 82 82 TYR CG C 139.300 0.1 . 407 82 82 TYR CD1 C 130.300 0.1 . 408 82 82 TYR CD2 C 130.300 0.1 . 409 82 82 TYR N N 119.900 0.1 . 410 83 83 GLN C C 178.200 0.1 . 411 83 83 GLN CA C 58.300 0.1 . 412 83 83 GLN CB C 29.600 0.1 . 413 83 83 GLN CG C 32.100 0.1 . 414 83 83 GLN CD C 180.800 0.1 . 415 83 83 GLN N N 119.600 0.1 . 416 84 84 LEU C C 177.600 0.1 . 417 84 84 LEU CA C 56.300 0.1 . 418 84 84 LEU CB C 41.850 0.1 . 419 84 84 LEU N N 117.700 0.1 . 420 85 85 GLY C C 172.700 0.1 . 421 85 85 GLY CA C 44.100 0.1 . 422 85 85 GLY N N 105.000 0.1 . 423 86 86 ASP C C 175.500 0.1 . 424 86 86 ASP CA C 54.300 0.1 . 425 86 86 ASP CB C 42.000 0.1 . 426 86 86 ASP N N 121.700 0.1 . 427 87 87 ALA C C 175.400 0.1 . 428 87 87 ALA CA C 52.400 0.1 . 429 87 87 ALA CB C 19.000 0.1 . 430 87 87 ALA N N 127.800 0.1 . 431 88 88 PRO C C 176.600 0.1 . 432 88 88 PRO CA C 64.900 0.1 . 433 88 88 PRO CB C 33.900 0.1 . 434 88 88 PRO CG C 25.900 0.1 . 435 88 88 PRO CD C 50.600 0.1 . 436 88 88 PRO N N 132.000 0.1 . 437 89 89 ILE C C 176.000 0.1 . 438 89 89 ILE CA C 58.500 0.1 . 439 89 89 ILE CB C 41.300 0.1 . 440 89 89 ILE CG1 C 26.100 0.1 . 441 89 89 ILE CG2 C 17.200 0.1 . 442 89 89 ILE CD1 C 13.100 0.1 . 443 89 89 ILE N N 117.900 0.1 . 444 90 90 ALA C C 176.000 0.1 . 445 90 90 ALA CA C 52.350 0.1 . 446 90 90 ALA CB C 18.500 0.1 . 447 90 90 ALA N N 131.700 0.1 . 448 91 91 ASN C C 174.800 0.1 . 449 91 91 ASN CA C 53.400 0.1 . 450 91 91 ASN CB C 37.000 0.1 . 451 91 91 ASN CG C 178.700 0.1 . 452 91 91 ASN N N 113.000 0.1 . 453 92 92 GLN C C 175.800 0.1 . 454 92 92 GLN CA C 58.200 0.1 . 455 92 92 GLN CB C 27.100 0.1 . 456 92 92 GLN CG C 32.350 0.1 . 457 92 92 GLN CD C 178.800 0.1 . 458 92 92 GLN N N 117.700 0.1 . 459 93 93 SER C C 176.100 0.1 . 460 93 93 SER CA C 56.400 0.1 . 461 93 93 SER CB C 64.500 0.1 . 462 93 93 SER N N 114.100 0.1 . 463 94 94 PRO CA C 63.700 0.1 . 464 94 94 PRO CB C 32.000 0.1 . 465 94 94 PRO CG C 27.200 0.1 . 466 94 94 PRO CD C 50.100 0.1 . 467 94 94 PRO N N 137.000 0.1 . 468 95 95 PRO C C 177.500 0.1 . 469 95 95 PRO CA C 61.450 0.1 . 470 95 95 PRO CB C 31.400 0.1 . 471 95 95 PRO CG C 26.600 0.1 . 472 95 95 PRO CD C 50.800 0.1 . 473 95 95 PRO N N 129.300 0.1 . 474 96 96 GLY C C 176.100 0.1 . 475 96 96 GLY CA C 46.800 0.1 . 476 96 96 GLY N N 108.300 0.1 . 477 97 97 PHE C C 178.450 0.1 . 478 97 97 PHE CA C 58.600 0.1 . 479 97 97 PHE CB C 39.400 0.1 . 480 97 97 PHE N N 125.000 0.1 . 481 98 98 VAL C C 177.800 0.1 . 482 98 98 VAL CA C 67.200 0.1 . 483 98 98 VAL CB C 31.200 0.1 . 484 98 98 VAL CG1 C 24.000 0.1 . 485 98 98 VAL CG2 C 21.400 0.1 . 486 98 98 VAL N N 118.600 0.1 . 487 99 99 GLY C C 175.900 0.1 . 488 99 99 GLY CA C 48.000 0.1 . 489 99 99 GLY N N 111.300 0.1 . 490 100 100 ALA C C 179.000 0.1 . 491 100 100 ALA CA C 55.200 0.1 . 492 100 100 ALA CB C 17.700 0.1 . 493 100 100 ALA N N 122.600 0.1 . 494 101 101 PHE C C 176.900 0.1 . 495 101 101 PHE CA C 62.000 0.1 . 496 101 101 PHE CB C 37.600 0.1 . 497 101 101 PHE CG C 131.900 0.1 . 498 101 101 PHE N N 120.600 0.1 . 499 102 102 PHE C C 178.400 0.1 . 500 102 102 PHE CA C 61.700 0.1 . 501 102 102 PHE CB C 37.600 0.1 . 502 102 102 PHE CG C 130.900 0.1 . 503 102 102 PHE N N 119.000 0.1 . 504 103 103 PHE C C 176.800 0.1 . 505 103 103 PHE CA C 61.800 0.1 . 506 103 103 PHE CB C 38.100 0.1 . 507 103 103 PHE CG C 137.900 0.1 . 508 103 103 PHE CD1 C 130.600 0.1 . 509 103 103 PHE CD2 C 130.600 0.1 . 510 103 103 PHE N N 122.600 0.1 . 511 104 104 SER C C 176.200 0.1 . 512 104 104 SER CA C 62.300 0.1 . 513 104 104 SER CB C 63.100 0.1 . 514 104 104 SER N N 115.000 0.1 . 515 105 105 VAL C C 177.400 0.1 . 516 105 105 VAL CA C 67.600 0.1 . 517 105 105 VAL CB C 31.400 0.1 . 518 105 105 VAL CG1 C 21.500 0.1 . 519 105 105 VAL CG2 C 23.600 0.1 . 520 105 105 VAL N N 123.600 0.1 . 521 106 106 GLU C C 178.230 0.1 . 522 106 106 GLU CA C 58.200 0.1 . 523 106 106 GLU CB C 27.350 0.1 . 524 106 106 GLU CG C 36.100 0.1 . 525 106 106 GLU CD C 182.800 0.1 . 526 106 106 GLU N N 118.000 0.1 . 527 107 107 THR C C 175.800 0.1 . 528 107 107 THR CA C 61.600 0.1 . 529 107 107 THR CB C 70.800 0.1 . 530 107 107 THR CG2 C 21.800 0.1 . 531 107 107 THR N N 117.600 0.1 . 532 108 108 LEU C C 178.300 0.1 . 533 108 108 LEU CA C 58.100 0.1 . 534 108 108 LEU CB C 40.800 0.1 . 535 108 108 LEU CG C 27.000 0.1 . 536 108 108 LEU N N 118.400 0.1 . 537 109 109 ALA C C 179.000 0.1 . 538 109 109 ALA CA C 51.500 0.1 . 539 109 109 ALA CB C 20.500 0.1 . 540 109 109 ALA N N 112.800 0.1 . 541 110 110 THR C C 172.200 0.1 . 542 110 110 THR CA C 62.600 0.1 . 543 110 110 THR CB C 70.100 0.1 . 544 110 110 THR CG2 C 20.900 0.1 . 545 110 110 THR N N 110.700 0.1 . 546 111 111 VAL C C 179.100 0.1 . 547 111 111 VAL CA C 65.680 0.1 . 548 111 111 VAL CB C 33.500 0.1 . 549 111 111 VAL CG1 C 22.450 0.1 . 550 111 111 VAL CG2 C 20.400 0.1 . 551 111 111 VAL N N 120.800 0.1 . 552 112 112 GLY C C 175.100 0.1 . 553 112 112 GLY CA C 48.500 0.1 . 554 112 112 GLY N N 103.800 0.1 . 555 113 113 TYR C C 177.300 0.1 . 556 113 113 TYR CA C 61.000 0.1 . 557 113 113 TYR CB C 39.800 0.1 . 558 113 113 TYR CG C 130.000 0.1 . 559 113 113 TYR N N 116.200 0.1 . 560 114 114 GLY C C 174.500 0.1 . 561 114 114 GLY CA C 46.600 0.1 . 562 114 114 GLY N N 106.600 0.1 . 563 115 115 ASP C C 176.100 0.1 . 564 115 115 ASP CA C 54.500 0.1 . 565 115 115 ASP CB C 41.700 0.1 . 566 115 115 ASP CG C 178.900 0.1 . 567 115 115 ASP N N 121.000 0.1 . 568 116 116 MET C C 175.400 0.1 . 569 116 116 MET CA C 55.100 0.1 . 570 116 116 MET CB C 32.900 0.1 . 571 116 116 MET CG C 36.100 0.1 . 572 116 116 MET CE C 18.100 0.1 . 573 116 116 MET N N 116.300 0.1 . 574 117 117 HIS C C 169.500 0.1 . 575 117 117 HIS CA C 52.900 0.1 . 576 117 117 HIS CB C 26.000 0.1 . 577 117 117 HIS CG C 128.400 0.1 . 578 117 117 HIS N N 114.800 0.1 . 579 118 118 PRO C C 176.600 0.1 . 580 118 118 PRO CA C 62.600 0.1 . 581 118 118 PRO CB C 30.900 0.1 . 582 118 118 PRO CG C 27.900 0.1 . 583 118 118 PRO CD C 50.300 0.1 . 584 118 118 PRO N N 137.400 0.1 . 585 119 119 GLN C C 174.400 0.1 . 586 119 119 GLN CA C 53.800 0.1 . 587 119 119 GLN CB C 29.200 0.1 . 588 119 119 GLN CG C 30.900 0.1 . 589 119 119 GLN N N 115.800 0.1 . 590 120 120 THR C C 174.300 0.1 . 591 120 120 THR CA C 58.500 0.1 . 592 120 120 THR CB C 72.000 0.1 . 593 120 120 THR CG2 C 23.300 0.1 . 594 120 120 THR N N 111.300 0.1 . 595 121 121 VAL C C 177.400 0.1 . 596 121 121 VAL CA C 68.300 0.1 . 597 121 121 VAL CB C 31.400 0.1 . 598 121 121 VAL CG1 C 24.200 0.1 . 599 121 121 VAL CG2 C 22.100 0.1 . 600 121 121 VAL N N 124.200 0.1 . 601 122 122 TYR C C 176.800 0.1 . 602 122 122 TYR CA C 62.200 0.1 . 603 122 122 TYR CB C 37.500 0.1 . 604 122 122 TYR CG C 130.300 0.1 . 605 122 122 TYR N N 120.500 0.1 . 606 123 123 ALA C C 177.200 0.1 . 607 123 123 ALA CA C 54.800 0.1 . 608 123 123 ALA CB C 17.500 0.1 . 609 123 123 ALA N N 119.500 0.1 . 610 124 124 HIS C C 177.400 0.1 . 611 124 124 HIS CA C 58.100 0.1 . 612 124 124 HIS CB C 27.800 0.1 . 613 124 124 HIS N N 118.200 0.1 . 614 125 125 ALA C C 177.700 0.1 . 615 125 125 ALA CA C 55.700 0.1 . 616 125 125 ALA CB C 18.200 0.1 . 617 125 125 ALA N N 122.000 0.1 . 618 126 126 ILE C C 177.100 0.1 . 619 126 126 ILE CA C 64.100 0.1 . 620 126 126 ILE CB C 37.800 0.1 . 621 126 126 ILE CG1 C 26.900 0.1 . 622 126 126 ILE CG2 C 17.300 0.1 . 623 126 126 ILE CD1 C 13.800 0.1 . 624 126 126 ILE N N 119.000 0.1 . 625 127 127 ALA C C 178.200 0.1 . 626 127 127 ALA CA C 56.500 0.1 . 627 127 127 ALA CB C 18.400 0.1 . 628 127 127 ALA N N 120.700 0.1 . 629 128 128 THR C C 175.600 0.1 . 630 128 128 THR CA C 68.600 0.1 . 631 128 128 THR CB C 68.000 0.1 . 632 128 128 THR CG2 C 21.800 0.1 . 633 128 128 THR N N 119.000 0.1 . 634 129 129 LEU C C 178.300 0.1 . 635 129 129 LEU CA C 58.500 0.1 . 636 129 129 LEU CB C 41.400 0.1 . 637 129 129 LEU CG C 26.700 0.1 . 638 129 129 LEU CD1 C 23.800 0.1 . 639 129 129 LEU CD2 C 21.700 0.1 . 640 129 129 LEU N N 120.900 0.1 . 641 130 130 GLU C C 176.400 0.1 . 642 130 130 GLU CA C 59.900 0.1 . 643 130 130 GLU CB C 28.000 0.1 . 644 130 130 GLU CG C 36.800 0.1 . 645 130 130 GLU CD C 180.100 0.1 . 646 130 130 GLU N N 119.100 0.1 . 647 131 131 CYS C C 177.100 0.1 . 648 131 131 CYS CA C 65.100 0.1 . 649 131 131 CYS CB C 29.600 0.1 . 650 131 131 CYS N N 119.600 0.1 . 651 132 132 PHE C C 178.700 0.1 . 652 132 132 PHE CA C 62.100 0.1 . 653 132 132 PHE CB C 39.000 0.1 . 654 132 132 PHE N N 120.200 0.1 . 655 133 133 VAL C C 177.000 0.1 . 656 133 133 VAL CA C 67.100 0.1 . 657 133 133 VAL CB C 31.500 0.1 . 658 133 133 VAL CG1 C 23.800 0.1 . 659 133 133 VAL CG2 C 23.200 0.1 . 660 133 133 VAL N N 122.800 0.1 . 661 134 134 GLY C C 175.800 0.1 . 662 134 134 GLY CA C 48.000 0.1 . 663 134 134 GLY N N 106.800 0.1 . 664 135 135 MET C C 175.300 0.1 . 665 135 135 MET CA C 58.300 0.1 . 666 135 135 MET CB C 32.800 0.1 . 667 135 135 MET CG C 35.200 0.1 . 668 135 135 MET N N 122.400 0.1 . 669 136 136 SER C C 175.700 0.1 . 670 136 136 SER CA C 63.200 0.1 . 671 136 136 SER CB C 64.300 0.1 . 672 136 136 SER N N 114.700 0.1 . 673 137 137 GLY C C 177.400 0.1 . 674 137 137 GLY CA C 47.500 0.1 . 675 137 137 GLY N N 110.500 0.1 . 676 138 138 ILE C C 179.100 0.1 . 677 138 138 ILE CA C 66.300 0.1 . 678 138 138 ILE CB C 38.500 0.1 . 679 138 138 ILE CG1 C 27.000 0.1 . 680 138 138 ILE CG2 C 17.000 0.1 . 681 138 138 ILE CD1 C 13.600 0.1 . 682 138 138 ILE N N 126.500 0.1 . 683 139 139 ALA C C 179.400 0.1 . 684 139 139 ALA CA C 56.300 0.1 . 685 139 139 ALA CB C 18.400 0.1 . 686 139 139 ALA N N 125.800 0.1 . 687 140 140 LEU C C 178.500 0.1 . 688 140 140 LEU CA C 58.100 0.1 . 689 140 140 LEU CB C 41.300 0.1 . 690 140 140 LEU CG C 26.800 0.1 . 691 140 140 LEU CD1 C 23.300 0.1 . 692 140 140 LEU CD2 C 22.500 0.1 . 693 140 140 LEU N N 118.700 0.1 . 694 141 141 SER C C 177.100 0.1 . 695 141 141 SER CA C 63.300 0.1 . 696 141 141 SER CB C 62.600 0.1 . 697 141 141 SER N N 114.700 0.1 . 698 142 142 THR C C 176.200 0.1 . 699 142 142 THR CA C 67.900 0.1 . 700 142 142 THR CB C 67.400 0.1 . 701 142 142 THR CG2 C 21.700 0.1 . 702 142 142 THR N N 120.000 0.1 . 703 143 143 GLY C C 175.800 0.1 . 704 143 143 GLY CA C 48.100 0.1 . 705 143 143 GLY N N 110.200 0.1 . 706 144 144 LEU C C 178.200 0.1 . 707 144 144 LEU CA C 58.000 0.1 . 708 144 144 LEU CB C 41.400 0.1 . 709 144 144 LEU CG C 27.300 0.1 . 710 144 144 LEU CD1 C 23.700 0.1 . 711 144 144 LEU CD2 C 21.600 0.1 . 712 144 144 LEU N N 122.600 0.1 . 713 145 145 VAL C C 178.900 0.1 . 714 145 145 VAL CA C 67.100 0.1 . 715 145 145 VAL CB C 31.600 0.1 . 716 145 145 VAL CG1 C 24.300 0.1 . 717 145 145 VAL CG2 C 22.100 0.1 . 718 145 145 VAL N N 120.200 0.1 . 719 146 146 PHE C C 176.300 0.1 . 720 146 146 PHE CA C 62.500 0.1 . 721 146 146 PHE CB C 39.800 0.1 . 722 146 146 PHE CG C 137.700 0.1 . 723 146 146 PHE N N 124.000 0.1 . 724 147 147 ALA C C 179.200 0.1 . 725 147 147 ALA CA C 55.600 0.1 . 726 147 147 ALA CB C 18.300 0.1 . 727 147 147 ALA N N 120.800 0.1 . 728 148 148 ARG C C 177.500 0.1 . 729 148 148 ARG CA C 58.300 0.1 . 730 148 148 ARG CB C 29.700 0.1 . 731 148 148 ARG CG C 26.600 0.1 . 732 148 148 ARG CD C 44.800 0.1 . 733 148 148 ARG N N 118.200 0.1 . 734 149 149 PHE C C 174.400 0.1 . 735 149 149 PHE CA C 60.600 0.1 . 736 149 149 PHE CB C 37.300 0.1 . 737 149 149 PHE CG C 136.500 0.1 . 738 149 149 PHE N N 120.100 0.1 . 739 150 150 ALA C C 174.700 0.1 . 740 150 150 ALA CA C 54.300 0.1 . 741 150 150 ALA CB C 18.000 0.1 . 742 150 150 ALA N N 125.400 0.1 . 743 151 151 ARG C C 171.987 0.1 . 744 151 151 ARG CA C 54.607 0.1 . 745 151 151 ARG CB C 33.346 0.1 . 746 151 151 ARG CG C 26.307 0.1 . 747 151 151 ARG CD C 42.875 0.1 . 748 151 151 ARG N N 125.491 0.1 . 749 152 152 PRO C C 175.258 0.1 . 750 152 152 PRO CA C 61.515 0.1 . 751 152 152 PRO CB C 29.840 0.1 . 752 152 152 PRO CG C 27.504 0.1 . 753 152 152 PRO CD C 50.547 0.1 . 754 152 152 PRO N N 135.521 0.1 . 755 153 153 ARG C C 175.159 0.1 . 756 153 153 ARG CA C 55.500 0.1 . 757 153 153 ARG CB C 32.910 0.1 . 758 153 153 ARG CG C 26.770 0.1 . 759 153 153 ARG CD C 42.112 0.1 . 760 153 153 ARG N N 121.805 0.1 . 761 154 154 ALA C C 177.373 0.1 . 762 154 154 ALA CA C 55.408 0.1 . 763 154 154 ALA CB C 22.200 0.1 . 764 154 154 ALA N N 120.212 0.1 . 765 155 155 LYS C C 179.766 0.1 . 766 155 155 LYS CA C 57.899 0.1 . 767 155 155 LYS CB C 32.222 0.1 . 768 155 155 LYS CG C 25.110 0.1 . 769 155 155 LYS CD C 28.709 0.1 . 770 155 155 LYS CE C 40.700 0.1 . 771 155 155 LYS N N 120.727 0.1 . 772 156 156 ILE C C 177.837 0.1 . 773 156 156 ILE CA C 64.604 0.1 . 774 156 156 ILE CB C 37.900 0.1 . 775 156 156 ILE CG1 C 29.700 0.1 . 776 156 156 ILE CG2 C 17.800 0.1 . 777 156 156 ILE CD1 C 14.104 0.1 . 778 156 156 ILE N N 121.853 0.1 . 779 157 157 MET C C 174.800 0.1 . 780 157 157 MET CA C 58.300 0.1 . 781 157 157 MET CB C 32.300 0.1 . 782 157 157 MET CG C 35.700 0.1 . 783 157 157 MET CE C 16.900 0.1 . 784 157 157 MET N N 117.600 0.1 . 785 158 158 PHE C C 176.800 0.1 . 786 158 158 PHE CA C 55.400 0.1 . 787 158 158 PHE CB C 41.300 0.1 . 788 158 158 PHE CG C 139.600 0.1 . 789 158 158 PHE N N 124.300 0.1 . 790 159 159 ALA C C 175.300 0.1 . 791 159 159 ALA CA C 54.712 0.1 . 792 159 159 ALA CB C 19.200 0.1 . 793 159 159 ALA N N 118.300 0.1 . 794 160 160 ARG C C 174.700 0.1 . 795 160 160 ARG CA C 54.300 0.1 . 796 160 160 ARG CB C 34.600 0.1 . 797 160 160 ARG CG C 27.600 0.1 . 798 160 160 ARG CD C 44.000 0.1 . 799 160 160 ARG N N 122.700 0.1 . 800 161 161 HIS C C 176.100 0.1 . 801 161 161 HIS CA C 53.800 0.1 . 802 161 161 HIS CB C 32.800 0.1 . 803 161 161 HIS CG C 128.300 0.1 . 804 161 161 HIS N N 120.600 0.1 . 805 162 162 ALA C C 175.200 0.1 . 806 162 162 ALA CA C 53.400 0.1 . 807 162 162 ALA CB C 21.700 0.1 . 808 162 162 ALA N N 123.300 0.1 . 809 163 163 ILE C C 177.531 0.1 . 810 163 163 ILE CA C 57.833 0.1 . 811 163 163 ILE CB C 42.659 0.1 . 812 163 163 ILE CG1 C 28.300 0.1 . 813 163 163 ILE CG2 C 18.152 0.1 . 814 163 163 ILE CD1 C 13.250 0.1 . 815 163 163 ILE N N 117.650 0.1 . 816 164 164 VAL C C 174.989 0.1 . 817 164 164 VAL CA C 59.902 0.1 . 818 164 164 VAL CB C 32.501 0.1 . 819 164 164 VAL CG1 C 22.000 0.1 . 820 164 164 VAL CG2 C 21.399 0.1 . 821 164 164 VAL N N 118.657 0.1 . 822 165 165 ARG C C 175.700 0.1 . 823 165 165 ARG CA C 56.059 0.1 . 824 165 165 ARG CB C 31.215 0.1 . 825 165 165 ARG CG C 26.900 0.1 . 826 165 165 ARG CD C 42.251 0.1 . 827 165 165 ARG N N 122.600 0.1 . 828 166 166 PRO C C 176.200 0.1 . 829 166 166 PRO CA C 62.800 0.1 . 830 166 166 PRO CB C 32.100 0.1 . 831 166 166 PRO CG C 27.002 0.1 . 832 166 166 PRO CD C 51.500 0.1 . 833 166 166 PRO N N 132.000 0.1 . 834 167 167 PHE C C 177.772 0.1 . 835 167 167 PHE CA C 55.099 0.1 . 836 167 167 PHE CB C 41.502 0.1 . 837 167 167 PHE CG C 140.000 0.1 . 838 167 167 PHE N N 120.700 0.1 . 839 168 168 ASN C C 177.000 0.1 . 840 168 168 ASN CA C 55.203 0.1 . 841 168 168 ASN CB C 35.300 0.1 . 842 168 168 ASN CG C 176.001 0.1 . 843 168 168 ASN N N 121.000 0.1 . 844 169 169 GLY C C 174.200 0.1 . 845 169 169 GLY CA C 45.106 0.1 . 846 169 169 GLY N N 107.703 0.1 . 847 170 170 ARG C C 175.305 0.1 . 848 170 170 ARG CA C 53.609 0.1 . 849 170 170 ARG CB C 33.000 0.1 . 850 170 170 ARG CG C 26.600 0.1 . 851 170 170 ARG CD C 47.000 0.1 . 852 170 170 ARG N N 120.500 0.1 . 853 171 171 MET C C 174.501 0.1 . 854 171 171 MET CA C 53.718 0.1 . 855 171 171 MET CB C 30.703 0.1 . 856 171 171 MET CG C 29.201 0.1 . 857 171 171 MET CE C 17.500 0.1 . 858 171 171 MET N N 115.800 0.1 . 859 172 172 THR C C 174.565 0.1 . 860 172 172 THR CA C 58.901 0.1 . 861 172 172 THR CB C 71.889 0.1 . 862 172 172 THR CG2 C 21.937 0.1 . 863 172 172 THR N N 111.770 0.1 . 864 173 173 LEU C C 176.302 0.1 . 865 173 173 LEU CA C 54.851 0.1 . 866 173 173 LEU CB C 44.503 0.1 . 867 173 173 LEU CG C 25.852 0.1 . 868 173 173 LEU CD1 C 22.609 0.1 . 869 173 173 LEU CD2 C 22.102 0.1 . 870 173 173 LEU N N 116.810 0.1 . 871 174 174 MET C C 178.017 0.1 . 872 174 174 MET CA C 55.510 0.1 . 873 174 174 MET CB C 36.603 0.1 . 874 174 174 MET CG C 31.599 0.1 . 875 174 174 MET CE C 18.102 0.1 . 876 174 174 MET N N 121.160 0.1 . 877 175 175 VAL C C 176.503 0.1 . 878 175 175 VAL CA C 61.300 0.1 . 879 175 175 VAL CB C 34.181 0.1 . 880 175 175 VAL CG1 C 22.700 0.1 . 881 175 175 VAL CG2 C 21.300 0.1 . 882 175 175 VAL N N 121.805 0.1 . 883 176 176 ARG C C 175.902 0.1 . 884 176 176 ARG CA C 55.120 0.1 . 885 176 176 ARG CB C 32.706 0.1 . 886 176 176 ARG CG C 27.510 0.1 . 887 176 176 ARG CD C 41.800 0.1 . 888 176 176 ARG N N 121.020 0.1 . 889 177 177 ALA C C 176.400 0.1 . 890 177 177 ALA CA C 52.599 0.1 . 891 177 177 ALA CB C 19.600 0.1 . 892 177 177 ALA N N 124.400 0.1 . 893 178 178 ALA C C 178.000 0.1 . 894 178 178 ALA CA C 52.233 0.1 . 895 178 178 ALA CB C 19.901 0.1 . 896 178 178 ALA N N 120.400 0.1 . 897 179 179 ASN C C 176.367 0.1 . 898 179 179 ASN CA C 53.202 0.1 . 899 179 179 ASN CB C 37.107 0.1 . 900 179 179 ASN CG C 178.500 0.1 . 901 179 179 ASN N N 113.200 0.1 . 902 180 180 ALA C C 174.600 0.1 . 903 180 180 ALA CA C 53.800 0.1 . 904 180 180 ALA CB C 18.200 0.1 . 905 180 180 ALA N N 121.200 0.1 . 906 181 181 ARG C C 174.501 0.1 . 907 181 181 ARG CA C 56.400 0.1 . 908 181 181 ARG CB C 29.502 0.1 . 909 181 181 ARG CG C 27.418 0.1 . 910 181 181 ARG CD C 43.167 0.1 . 911 181 181 ARG N N 118.300 0.1 . 912 182 182 GLN C C 176.252 0.1 . 913 182 182 GLN CA C 54.402 0.1 . 914 182 182 GLN CB C 29.800 0.1 . 915 182 182 GLN CG C 31.550 0.1 . 916 182 182 GLN CD C 180.609 0.1 . 917 182 182 GLN N N 121.800 0.1 . 918 183 183 ASN C C 177.404 0.1 . 919 183 183 ASN CA C 55.611 0.1 . 920 183 183 ASN CB C 37.800 0.1 . 921 183 183 ASN CG C 180.000 0.1 . 922 183 183 ASN N N 120.400 0.1 . 923 184 184 VAL C C 178.001 0.1 . 924 184 184 VAL CA C 66.620 0.1 . 925 184 184 VAL CB C 31.600 0.1 . 926 184 184 VAL CG1 C 23.400 0.1 . 927 184 184 VAL CG2 C 21.900 0.1 . 928 184 184 VAL N N 117.000 0.1 . 929 185 185 ILE C C 177.900 0.1 . 930 185 185 ILE CA C 59.803 0.1 . 931 185 185 ILE CB C 42.300 0.1 . 932 185 185 ILE CG1 C 28.500 0.1 . 933 185 185 ILE CG2 C 17.800 0.1 . 934 185 185 ILE CD1 C 15.100 0.1 . 935 185 185 ILE N N 120.004 0.1 . 936 186 186 ALA C C 175.108 0.1 . 937 186 186 ALA CA C 53.254 0.1 . 938 186 186 ALA CB C 19.411 0.1 . 939 186 186 ALA N N 118.800 0.1 . 940 187 187 GLU C C 174.122 0.1 . 941 187 187 GLU CA C 53.800 0.1 . 942 187 187 GLU CB C 31.632 0.1 . 943 187 187 GLU CG C 35.507 0.1 . 944 187 187 GLU CD C 182.302 0.1 . 945 187 187 GLU N N 125.800 0.1 . 946 188 188 ALA C C 175.308 0.1 . 947 188 188 ALA CA C 51.104 0.1 . 948 188 188 ALA CB C 20.701 0.1 . 949 188 188 ALA N N 126.800 0.1 . 950 189 189 ARG C C 175.222 0.1 . 951 189 189 ARG CA C 54.310 0.1 . 952 189 189 ARG CB C 32.604 0.1 . 953 189 189 ARG CG C 26.602 0.1 . 954 189 189 ARG CD C 43.900 0.1 . 955 189 189 ARG N N 121.500 0.1 . 956 190 190 ALA C C 176.009 0.1 . 957 190 190 ALA CA C 52.639 0.1 . 958 190 190 ALA CB C 19.132 0.1 . 959 190 190 ALA N N 127.800 0.1 . 960 191 191 LYS C C 174.712 0.1 . 961 191 191 LYS CA C 54.400 0.1 . 962 191 191 LYS CB C 32.400 0.1 . 963 191 191 LYS CG C 25.240 0.1 . 964 191 191 LYS CD C 29.029 0.1 . 965 191 191 LYS CE C 42.776 0.1 . 966 191 191 LYS N N 116.800 0.1 . 967 192 192 MET C C 174.529 0.1 . 968 192 192 MET CA C 54.000 0.1 . 969 192 192 MET CB C 34.300 0.1 . 970 192 192 MET CG C 33.000 0.1 . 971 192 192 MET CE C 17.900 0.1 . 972 192 192 MET N N 124.000 0.1 . 973 193 193 ARG C C 174.606 0.1 . 974 193 193 ARG CA C 53.110 0.1 . 975 193 193 ARG CB C 33.700 0.1 . 976 193 193 ARG CG C 26.600 0.1 . 977 193 193 ARG CD C 45.800 0.1 . 978 193 193 ARG N N 123.300 0.1 . 979 194 194 LEU C C 174.404 0.1 . 980 194 194 LEU CA C 54.600 0.1 . 981 194 194 LEU CB C 41.000 0.1 . 982 194 194 LEU CG C 27.800 0.1 . 983 194 194 LEU CD1 C 23.620 0.1 . 984 194 194 LEU CD2 C 23.350 0.1 . 985 194 194 LEU N N 124.100 0.1 . 986 195 195 MET C C 175.592 0.1 . 987 195 195 MET CA C 55.010 0.1 . 988 195 195 MET CB C 36.209 0.1 . 989 195 195 MET CG C 32.843 0.1 . 990 195 195 MET CE C 18.839 0.1 . 991 195 195 MET N N 115.400 0.1 . 992 196 196 ARG C C 176.042 0.1 . 993 196 196 ARG CA C 56.566 0.1 . 994 196 196 ARG CB C 31.320 0.1 . 995 196 196 ARG CG C 26.361 0.1 . 996 196 196 ARG CD C 41.648 0.1 . 997 196 196 ARG N N 113.401 0.1 . 998 197 197 ARG C C 175.104 0.1 . 999 197 197 ARG CA C 56.309 0.1 . 1000 197 197 ARG CB C 31.710 0.1 . 1001 197 197 ARG CG C 26.909 0.1 . 1002 197 197 ARG CD C 43.000 0.1 . 1003 197 197 ARG N N 119.397 0.1 . 1004 198 198 GLU C C 176.991 0.1 . 1005 198 198 GLU CA C 58.807 0.1 . 1006 198 198 GLU CB C 30.631 0.1 . 1007 198 198 GLU CG C 35.899 0.1 . 1008 198 198 GLU CD C 182.400 0.1 . 1009 198 198 GLU N N 118.495 0.1 . 1010 199 199 HIS C C 177.460 0.1 . 1011 199 199 HIS CA C 56.597 0.1 . 1012 199 199 HIS CB C 31.529 0.1 . 1013 199 199 HIS CG C 131.729 0.1 . 1014 199 199 HIS N N 120.097 0.1 . 1015 200 200 SER C C 177.939 0.1 . 1016 200 200 SER CA C 58.117 0.1 . 1017 200 200 SER CB C 63.879 0.1 . 1018 200 200 SER N N 115.301 0.1 . 1019 201 201 SER C C 176.973 0.1 . 1020 201 201 SER CA C 55.416 0.1 . 1021 201 201 SER CB C 64.202 0.1 . 1022 201 201 SER N N 116.494 0.1 . 1023 202 202 GLU C C 175.439 0.1 . 1024 202 202 GLU CA C 57.428 0.1 . 1025 202 202 GLU CB C 29.754 0.1 . 1026 202 202 GLU CG C 37.402 0.1 . 1027 202 202 GLU CD C 182.800 0.1 . 1028 202 202 GLU N N 120.007 0.1 . 1029 203 203 GLY C C 175.656 0.1 . 1030 203 203 GLY CA C 47.607 0.1 . 1031 203 203 GLY N N 106.188 0.1 . 1032 204 204 TYR C C 176.503 0.1 . 1033 204 204 TYR CA C 59.425 0.1 . 1034 204 204 TYR CB C 37.033 0.1 . 1035 204 204 TYR CG C 131.333 0.1 . 1036 204 204 TYR N N 120.197 0.1 . 1037 205 205 SER C C 176.200 0.1 . 1038 205 205 SER CA C 55.809 0.1 . 1039 205 205 SER CB C 63.701 0.1 . 1040 205 205 SER N N 119.900 0.1 . 1041 206 206 LEU C C 176.339 0.1 . 1042 206 206 LEU CA C 54.602 0.1 . 1043 206 206 LEU CB C 42.381 0.1 . 1044 206 206 LEU CG C 28.294 0.1 . 1045 206 206 LEU CD1 C 25.601 0.1 . 1046 206 206 LEU CD2 C 26.799 0.1 . 1047 206 206 LEU N N 121.920 0.1 . 1048 207 207 MET C C 175.741 0.1 . 1049 207 207 MET CA C 54.401 0.1 . 1050 207 207 MET CB C 33.699 0.1 . 1051 207 207 MET CG C 31.902 0.1 . 1052 207 207 MET CE C 18.037 0.1 . 1053 207 207 MET N N 121.215 0.1 . 1054 208 208 LYS C C 176.538 0.1 . 1055 208 208 LYS CA C 54.900 0.1 . 1056 208 208 LYS CB C 32.609 0.1 . 1057 208 208 LYS CG C 24.829 0.1 . 1058 208 208 LYS CD C 29.514 0.1 . 1059 208 208 LYS CE C 40.819 0.1 . 1060 208 208 LYS N N 117.170 0.1 . 1061 209 209 ILE C C 177.508 0.1 . 1062 209 209 ILE CA C 58.898 0.1 . 1063 209 209 ILE CB C 42.005 0.1 . 1064 209 209 ILE CG1 C 27.202 0.1 . 1065 209 209 ILE CG2 C 18.100 0.1 . 1066 209 209 ILE CD1 C 13.700 0.1 . 1067 209 209 ILE N N 118.700 0.1 . 1068 210 210 HIS C C 178.100 0.1 . 1069 210 210 HIS CA C 55.349 0.1 . 1070 210 210 HIS CB C 32.500 0.1 . 1071 210 210 HIS CG C 130.700 0.1 . 1072 210 210 HIS N N 124.000 0.1 . 1073 211 211 ASP C C 176.100 0.1 . 1074 211 211 ASP CA C 54.003 0.1 . 1075 211 211 ASP CB C 39.902 0.1 . 1076 211 211 ASP CG C 178.930 0.1 . 1077 211 211 ASP N N 122.770 0.1 . 1078 212 212 LEU C C 177.839 0.1 . 1079 212 212 LEU CA C 55.603 0.1 . 1080 212 212 LEU CB C 41.603 0.1 . 1081 212 212 LEU CG C 25.904 0.1 . 1082 212 212 LEU CD1 C 23.295 0.1 . 1083 212 212 LEU CD2 C 21.803 0.1 . 1084 212 212 LEU N N 117.800 0.1 . 1085 213 213 LYS C C 177.602 0.1 . 1086 213 213 LYS CA C 58.102 0.1 . 1087 213 213 LYS CB C 31.700 0.1 . 1088 213 213 LYS CG C 26.502 0.1 . 1089 213 213 LYS CD C 27.804 0.1 . 1090 213 213 LYS CE C 41.604 0.1 . 1091 213 213 LYS N N 118.010 0.1 . 1092 214 214 LEU C C 179.500 0.1 . 1093 214 214 LEU CA C 58.002 0.1 . 1094 214 214 LEU CB C 40.810 0.1 . 1095 214 214 LEU CG C 27.610 0.1 . 1096 214 214 LEU CD1 C 22.810 0.1 . 1097 214 214 LEU CD2 C 22.130 0.1 . 1098 214 214 LEU N N 116.000 0.1 . 1099 215 215 VAL C C 176.701 0.1 . 1100 215 215 VAL CA C 65.310 0.1 . 1101 215 215 VAL CB C 31.810 0.1 . 1102 215 215 VAL CG1 C 22.930 0.1 . 1103 215 215 VAL CG2 C 21.802 0.1 . 1104 215 215 VAL N N 120.040 0.1 . 1105 216 216 ARG C C 179.705 0.1 . 1106 216 216 ARG CA C 59.601 0.1 . 1107 216 216 ARG CB C 29.805 0.1 . 1108 216 216 ARG CG C 28.402 0.1 . 1109 216 216 ARG CD C 42.010 0.1 . 1110 216 216 ARG N N 117.910 0.1 . 1111 217 217 ASN C C 178.610 0.1 . 1112 217 217 ASN CA C 53.401 0.1 . 1113 217 217 ASN CB C 42.402 0.1 . 1114 217 217 ASN CG C 175.101 0.1 . 1115 217 217 ASN N N 118.610 0.1 . 1116 218 218 GLU C C 177.101 0.1 . 1117 218 218 GLU CA C 58.804 0.1 . 1118 218 218 GLU CB C 29.431 0.1 . 1119 218 218 GLU CG C 36.017 0.1 . 1120 218 218 GLU CD C 181.018 0.1 . 1121 218 218 GLU N N 117.300 0.1 . 1122 219 219 HIS C C 177.210 0.1 . 1123 219 219 HIS CA C 55.707 0.1 . 1124 219 219 HIS CB C 31.020 0.1 . 1125 219 219 HIS CG C 130.600 0.1 . 1126 219 219 HIS N N 120.600 0.1 . 1127 220 220 PRO C C 179.200 0.1 . 1128 220 220 PRO CA C 64.100 0.1 . 1129 220 220 PRO CB C 32.300 0.1 . 1130 220 220 PRO CG C 26.800 0.1 . 1131 220 220 PRO CD C 50.600 0.1 . 1132 220 220 PRO N N 142.400 0.1 . 1133 221 221 ILE C C 178.015 0.1 . 1134 221 221 ILE CA C 66.047 0.1 . 1135 221 221 ILE CB C 38.401 0.1 . 1136 221 221 ILE CG1 C 29.404 0.1 . 1137 221 221 ILE CG2 C 17.292 0.1 . 1138 221 221 ILE CD1 C 14.100 0.1 . 1139 221 221 ILE N N 118.910 0.1 . 1140 222 222 PHE C C 176.502 0.1 . 1141 222 222 PHE CA C 57.301 0.1 . 1142 222 222 PHE CB C 41.300 0.1 . 1143 222 222 PHE CG C 137.700 0.1 . 1144 222 222 PHE CD1 C 132.100 0.1 . 1145 222 222 PHE CD2 C 132.100 0.1 . 1146 222 222 PHE N N 117.000 0.1 . 1147 223 223 LEU C C 176.404 0.1 . 1148 223 223 LEU CA C 56.403 0.1 . 1149 223 223 LEU CB C 41.804 0.1 . 1150 223 223 LEU CG C 26.000 0.1 . 1151 223 223 LEU CD1 C 24.241 0.1 . 1152 223 223 LEU CD2 C 23.700 0.1 . 1153 223 223 LEU N N 121.600 0.1 . 1154 224 224 LEU C C 177.501 0.1 . 1155 224 224 LEU CA C 56.407 0.1 . 1156 224 224 LEU CB C 41.900 0.1 . 1157 224 224 LEU CG C 26.214 0.1 . 1158 224 224 LEU CD1 C 23.702 0.1 . 1159 224 224 LEU CD2 C 23.299 0.1 . 1160 224 224 LEU N N 118.010 0.1 . 1161 225 225 GLY C C 174.018 0.1 . 1162 225 225 GLY CA C 45.104 0.1 . 1163 225 225 GLY N N 105.201 0.1 . 1164 226 226 TRP C C 176.606 0.1 . 1165 226 226 TRP CA C 55.408 0.1 . 1166 226 226 TRP CB C 29.401 0.1 . 1167 226 226 TRP N N 118.303 0.1 . 1168 227 227 ASN C C 176.215 0.1 . 1169 227 227 ASN CA C 52.801 0.1 . 1170 227 227 ASN CB C 40.305 0.1 . 1171 227 227 ASN CG C 174.681 0.1 . 1172 227 227 ASN N N 125.904 0.1 . 1173 228 228 MET C C 176.206 0.1 . 1174 228 228 MET CA C 55.599 0.1 . 1175 228 228 MET CB C 32.343 0.1 . 1176 228 228 MET CG C 31.316 0.1 . 1177 228 228 MET CE C 17.800 0.1 . 1178 228 228 MET N N 116.192 0.1 . 1179 229 229 MET C C 176.407 0.1 . 1180 229 229 MET CA C 55.799 0.1 . 1181 229 229 MET CB C 34.019 0.1 . 1182 229 229 MET CG C 31.644 0.1 . 1183 229 229 MET CE C 18.328 0.1 . 1184 229 229 MET N N 119.319 0.1 . 1185 230 230 HIS C C 177.105 0.1 . 1186 230 230 HIS CA C 55.606 0.1 . 1187 230 230 HIS CB C 30.407 0.1 . 1188 230 230 HIS CG C 133.915 0.1 . 1189 230 230 HIS N N 118.305 0.1 . 1190 231 231 VAL C C 178.502 0.1 . 1191 231 231 VAL CA C 59.908 0.1 . 1192 231 231 VAL CB C 33.907 0.1 . 1193 231 231 VAL CG1 C 22.109 0.1 . 1194 231 231 VAL CG2 C 21.202 0.1 . 1195 231 231 VAL N N 119.501 0.1 . 1196 232 232 ILE C C 177.416 0.1 . 1197 232 232 ILE CA C 65.228 0.1 . 1198 232 232 ILE CB C 37.813 0.1 . 1199 232 232 ILE CG1 C 26.904 0.1 . 1200 232 232 ILE CG2 C 16.924 0.1 . 1201 232 232 ILE CD1 C 14.232 0.1 . 1202 232 232 ILE N N 119.408 0.1 . 1203 233 233 ASP C C 177.804 0.1 . 1204 233 233 ASP CA C 54.404 0.1 . 1205 233 233 ASP CB C 40.910 0.1 . 1206 233 233 ASP CG C 178.916 0.1 . 1207 233 233 ASP N N 121.444 0.1 . 1208 234 234 GLU C C 176.718 0.1 . 1209 234 234 GLU CA C 57.619 0.1 . 1210 234 234 GLU CB C 30.204 0.1 . 1211 234 234 GLU CG C 34.410 0.1 . 1212 234 234 GLU CD C 182.814 0.1 . 1213 234 234 GLU N N 115.719 0.1 . 1214 235 235 SER C C 177.215 0.1 . 1215 235 235 SER CA C 55.704 0.1 . 1216 235 235 SER CB C 68.315 0.1 . 1217 235 235 SER N N 121.615 0.1 . 1218 236 236 SER CA C 58.404 0.1 . 1219 236 236 SER CB C 64.015 0.1 . 1220 236 236 SER N N 123.817 0.1 . 1221 237 237 PRO C C 176.816 0.1 . 1222 237 237 PRO CA C 65.438 0.1 . 1223 237 237 PRO CB C 29.611 0.1 . 1224 237 237 PRO CG C 26.618 0.1 . 1225 237 237 PRO CD C 50.403 0.1 . 1226 237 237 PRO N N 134.601 0.1 . 1227 238 238 LEU C C 178.007 0.1 . 1228 238 238 LEU CA C 56.005 0.1 . 1229 238 238 LEU CB C 42.101 0.1 . 1230 238 238 LEU CG C 26.207 0.1 . 1231 238 238 LEU CD1 C 22.515 0.1 . 1232 238 238 LEU CD2 C 21.905 0.1 . 1233 238 238 LEU N N 115.701 0.1 . 1234 239 239 PHE C C 177.400 0.1 . 1235 239 239 PHE CA C 63.111 0.1 . 1236 239 239 PHE CB C 37.807 0.1 . 1237 239 239 PHE CG C 132.307 0.1 . 1238 239 239 PHE N N 114.801 0.1 . 1239 240 240 GLY C C 175.701 0.1 . 1240 240 240 GLY CA C 47.901 0.1 . 1241 240 240 GLY N N 110.014 0.1 . 1242 241 241 GLU C C 176.849 0.1 . 1243 241 241 GLU CA C 58.207 0.1 . 1244 241 241 GLU CB C 32.414 0.1 . 1245 241 241 GLU CG C 36.110 0.1 . 1246 241 241 GLU CD C 180.100 0.1 . 1247 241 241 GLU N N 121.200 0.1 . 1248 242 242 THR C C 173.716 0.1 . 1249 242 242 THR CA C 59.738 0.1 . 1250 242 242 THR CB C 72.908 0.1 . 1251 242 242 THR CG2 C 21.708 0.1 . 1252 242 242 THR N N 112.010 0.1 . 1253 243 243 PRO C C 176.105 0.1 . 1254 243 243 PRO CA C 63.112 0.1 . 1255 243 243 PRO CB C 31.216 0.1 . 1256 243 243 PRO CG C 29.204 0.1 . 1257 243 243 PRO CD C 50.771 0.1 . 1258 243 243 PRO N N 139.537 0.1 . 1259 244 244 GLU C C 176.503 0.1 . 1260 244 244 GLU CA C 59.112 0.1 . 1261 244 244 GLU CB C 28.807 0.1 . 1262 244 244 GLU CG C 36.002 0.1 . 1263 244 244 GLU CD C 180.710 0.1 . 1264 244 244 GLU N N 122.712 0.1 . 1265 245 245 SER C C 176.109 0.1 . 1266 245 245 SER CA C 62.715 0.1 . 1267 245 245 SER CB C 63.023 0.1 . 1268 245 245 SER N N 118.105 0.1 . 1269 246 246 LEU C C 179.302 0.1 . 1270 246 246 LEU CA C 58.215 0.1 . 1271 246 246 LEU CB C 41.911 0.1 . 1272 246 246 LEU CG C 26.713 0.1 . 1273 246 246 LEU CD1 C 23.516 0.1 . 1274 246 246 LEU CD2 C 23.111 0.1 . 1275 246 246 LEU N N 121.603 0.1 . 1276 247 247 ALA C C 179.500 0.1 . 1277 247 247 ALA CA C 55.416 0.1 . 1278 247 247 ALA CB C 18.116 0.1 . 1279 247 247 ALA N N 122.108 0.1 . 1280 248 248 GLU C C 176.715 0.1 . 1281 248 248 GLU CA C 58.413 0.1 . 1282 248 248 GLU CB C 27.616 0.1 . 1283 248 248 GLU CG C 38.401 0.1 . 1284 248 248 GLU CD C 181.916 0.1 . 1285 248 248 GLU N N 120.005 0.1 . 1286 249 249 GLY C C 174.800 0.1 . 1287 249 249 GLY CA C 45.500 0.1 . 1288 249 249 GLY N N 107.405 0.1 . 1289 250 250 ARG C C 176.704 0.1 . 1290 250 250 ARG CA C 54.407 0.1 . 1291 250 250 ARG CB C 27.611 0.1 . 1292 250 250 ARG CG C 25.616 0.1 . 1293 250 250 ARG CD C 41.900 0.1 . 1294 250 250 ARG N N 123.504 0.1 . 1295 251 251 ALA C C 175.001 0.1 . 1296 251 251 ALA CA C 54.609 0.1 . 1297 251 251 ALA CB C 18.205 0.1 . 1298 251 251 ALA N N 121.310 0.1 . 1299 252 252 MET C C 175.600 0.1 . 1300 252 252 MET CA C 54.004 0.1 . 1301 252 252 MET CB C 34.411 0.1 . 1302 252 252 MET CG C 32.609 0.1 . 1303 252 252 MET CE C 17.508 0.1 . 1304 252 252 MET N N 120.404 0.1 . 1305 253 253 LEU C C 178.510 0.1 . 1306 253 253 LEU CA C 54.518 0.1 . 1307 253 253 LEU CB C 43.309 0.1 . 1308 253 253 LEU CG C 27.300 0.1 . 1309 253 253 LEU CD1 C 22.800 0.1 . 1310 253 253 LEU CD2 C 21.619 0.1 . 1311 253 253 LEU N N 120.500 0.1 . 1312 254 254 LEU C C 174.911 0.1 . 1313 254 254 LEU CA C 54.510 0.1 . 1314 254 254 LEU CB C 45.501 0.1 . 1315 254 254 LEU CG C 27.201 0.1 . 1316 254 254 LEU CD1 C 22.619 0.1 . 1317 254 254 LEU CD2 C 21.801 0.1 . 1318 254 254 LEU N N 120.300 0.1 . 1319 255 255 VAL C C 178.208 0.1 . 1320 255 255 VAL CA C 60.300 0.1 . 1321 255 255 VAL CB C 34.001 0.1 . 1322 255 255 VAL CG1 C 22.200 0.1 . 1323 255 255 VAL CG2 C 21.300 0.1 . 1324 255 255 VAL N N 119.100 0.1 . 1325 256 256 MET C C 174.601 0.1 . 1326 256 256 MET CA C 55.009 0.1 . 1327 256 256 MET CB C 36.105 0.1 . 1328 256 256 MET CG C 34.543 0.1 . 1329 256 256 MET CE C 18.003 0.1 . 1330 256 256 MET N N 117.600 0.1 . 1331 257 257 ILE C C 176.001 0.1 . 1332 257 257 ILE CA C 59.001 0.1 . 1333 257 257 ILE CB C 41.309 0.1 . 1334 257 257 ILE CG1 C 27.647 0.1 . 1335 257 257 ILE CG2 C 17.199 0.1 . 1336 257 257 ILE CD1 C 13.009 0.1 . 1337 257 257 ILE N N 117.600 0.1 . 1338 258 258 GLU C C 175.501 0.1 . 1339 258 258 GLU CA C 56.322 0.1 . 1340 258 258 GLU CB C 30.531 0.1 . 1341 258 258 GLU CG C 37.609 0.1 . 1342 258 258 GLU CD C 182.631 0.1 . 1343 258 258 GLU N N 118.000 0.1 . 1344 259 259 GLY C C 172.710 0.1 . 1345 259 259 GLY CA C 44.102 0.1 . 1346 259 259 GLY N N 104.805 0.1 . 1347 260 260 SER C C 176.003 0.1 . 1348 260 260 SER CA C 55.103 0.1 . 1349 260 260 SER CB C 63.109 0.1 . 1350 260 260 SER N N 122.000 0.1 . 1351 261 261 ASP C C 177.743 0.1 . 1352 261 261 ASP CA C 55.702 0.1 . 1353 261 261 ASP CB C 42.701 0.1 . 1354 261 261 ASP CG C 179.304 0.1 . 1355 261 261 ASP N N 120.100 0.1 . 1356 262 262 GLU C C 175.519 0.1 . 1357 262 262 GLU CA C 58.100 0.1 . 1358 262 262 GLU CB C 31.705 0.1 . 1359 262 262 GLU CG C 35.400 0.1 . 1360 262 262 GLU CD C 183.004 0.1 . 1361 262 262 GLU N N 117.900 0.1 . 1362 263 263 THR C C 177.228 0.1 . 1363 263 263 THR CA C 60.100 0.1 . 1364 263 263 THR CB C 67.000 0.1 . 1365 263 263 THR CG2 C 21.500 0.1 . 1366 263 263 THR N N 117.200 0.1 . 1367 264 264 THR C C 174.917 0.1 . 1368 264 264 THR CA C 60.400 0.1 . 1369 264 264 THR CB C 70.101 0.1 . 1370 264 264 THR CG2 C 21.220 0.1 . 1371 264 264 THR N N 121.000 0.1 . 1372 265 265 ALA C C 175.400 0.1 . 1373 265 265 ALA CA C 50.401 0.1 . 1374 265 265 ALA CB C 20.299 0.1 . 1375 265 265 ALA N N 129.400 0.1 . 1376 266 266 GLN C C 174.528 0.1 . 1377 266 266 GLN CA C 54.921 0.1 . 1378 266 266 GLN CB C 31.300 0.1 . 1379 266 266 GLN CG C 32.902 0.1 . 1380 266 266 GLN CD C 180.402 0.1 . 1381 266 266 GLN N N 122.140 0.1 . 1382 267 267 VAL C C 175.203 0.1 . 1383 267 267 VAL CA C 61.119 0.1 . 1384 267 267 VAL CB C 34.400 0.1 . 1385 267 267 VAL CG1 C 21.105 0.1 . 1386 267 267 VAL CG2 C 20.444 0.1 . 1387 267 267 VAL N N 123.400 0.1 . 1388 268 268 MET C C 176.201 0.1 . 1389 268 268 MET CA C 54.200 0.1 . 1390 268 268 MET CB C 35.400 0.1 . 1391 268 268 MET CG C 33.400 0.1 . 1392 268 268 MET CE C 17.600 0.1 . 1393 268 268 MET N N 126.000 0.1 . 1394 269 269 GLN C C 175.300 0.1 . 1395 269 269 GLN CA C 55.300 0.1 . 1396 269 269 GLN CB C 33.427 0.1 . 1397 269 269 GLN CG C 34.600 0.1 . 1398 269 269 GLN CD C 179.400 0.1 . 1399 269 269 GLN N N 118.300 0.1 . 1400 270 270 ALA C C 175.901 0.1 . 1401 270 270 ALA CA C 52.413 0.1 . 1402 270 270 ALA CB C 21.900 0.1 . 1403 270 270 ALA N N 126.000 0.1 . 1404 271 271 ARG C C 175.000 0.1 . 1405 271 271 ARG CA C 54.375 0.1 . 1406 271 271 ARG CB C 31.596 0.1 . 1407 271 271 ARG CG C 26.836 0.1 . 1408 271 271 ARG CD C 44.506 0.1 . 1409 271 271 ARG N N 125.900 0.1 . 1410 272 272 HIS C C 174.500 0.1 . 1411 272 272 HIS CA C 55.700 0.1 . 1412 272 272 HIS CB C 32.500 0.1 . 1413 272 272 HIS CG C 130.100 0.1 . 1414 272 272 HIS N N 124.000 0.1 . 1415 273 273 ALA C C 176.903 0.1 . 1416 273 273 ALA CA C 52.812 0.1 . 1417 273 273 ALA CB C 20.400 0.1 . 1418 273 273 ALA N N 127.400 0.1 . 1419 274 274 TRP C C 178.800 0.1 . 1420 274 274 TRP CA C 58.721 0.1 . 1421 274 274 TRP CB C 34.511 0.1 . 1422 274 274 TRP CG C 111.100 0.1 . 1423 274 274 TRP N N 122.708 0.1 . 1424 275 275 GLU C C 174.500 0.1 . 1425 275 275 GLU CA C 55.401 0.1 . 1426 275 275 GLU CB C 31.316 0.1 . 1427 275 275 GLU CG C 34.102 0.1 . 1428 275 275 GLU CD C 182.209 0.1 . 1429 275 275 GLU N N 115.800 0.1 . 1430 276 276 HIS C C 175.787 0.1 . 1431 276 276 HIS CA C 59.903 0.1 . 1432 276 276 HIS CB C 27.354 0.1 . 1433 276 276 HIS CG C 133.400 0.1 . 1434 276 276 HIS N N 123.178 0.1 . 1435 277 277 ASP C C 178.601 0.1 . 1436 277 277 ASP CA C 55.900 0.1 . 1437 277 277 ASP CB C 39.300 0.1 . 1438 277 277 ASP CG C 176.000 0.1 . 1439 277 277 ASP N N 122.500 0.1 . 1440 278 278 ASP C C 177.000 0.1 . 1441 278 278 ASP CA C 55.602 0.1 . 1442 278 278 ASP CB C 37.503 0.1 . 1443 278 278 ASP CG C 178.600 0.1 . 1444 278 278 ASP N N 117.810 0.1 . 1445 279 279 ILE C C 177.517 0.1 . 1446 279 279 ILE CA C 57.900 0.1 . 1447 279 279 ILE CB C 41.200 0.1 . 1448 279 279 ILE CG1 C 27.000 0.1 . 1449 279 279 ILE CG2 C 18.208 0.1 . 1450 279 279 ILE CD1 C 14.130 0.1 . 1451 279 279 ILE N N 120.400 0.1 . 1452 280 280 ARG C C 174.604 0.1 . 1453 280 280 ARG CA C 55.104 0.1 . 1454 280 280 ARG CB C 34.815 0.1 . 1455 280 280 ARG CG C 27.000 0.1 . 1456 280 280 ARG CD C 42.119 0.1 . 1457 280 280 ARG N N 124.217 0.1 . 1458 281 281 TRP C C 178.218 0.1 . 1459 281 281 TRP CA C 55.700 0.1 . 1460 281 281 TRP CB C 33.000 0.1 . 1461 281 281 TRP N N 124.600 0.1 . 1462 282 282 HIS C C 178.914 0.1 . 1463 282 282 HIS CA C 59.500 0.1 . 1464 282 282 HIS CB C 26.000 0.1 . 1465 282 282 HIS N N 115.700 0.1 . 1466 283 283 HIS C C 178.716 0.1 . 1467 283 283 HIS CA C 58.200 0.1 . 1468 283 283 HIS CB C 27.051 0.1 . 1469 283 283 HIS N N 119.800 0.1 . 1470 284 284 ARG C C 179.106 0.1 . 1471 284 284 ARG CA C 55.243 0.1 . 1472 284 284 ARG CB C 32.304 0.1 . 1473 284 284 ARG CG C 27.500 0.1 . 1474 284 284 ARG CD C 41.201 0.1 . 1475 284 284 ARG N N 123.900 0.1 . 1476 285 285 TYR C C 176.000 0.1 . 1477 285 285 TYR CA C 61.700 0.1 . 1478 285 285 TYR CB C 39.600 0.1 . 1479 285 285 TYR CG C 132.200 0.1 . 1480 285 285 TYR N N 121.305 0.1 . 1481 286 286 VAL C C 178.610 0.1 . 1482 286 286 VAL CA C 61.611 0.1 . 1483 286 286 VAL CB C 32.948 0.1 . 1484 286 286 VAL CG1 C 22.502 0.1 . 1485 286 286 VAL CG2 C 21.300 0.1 . 1486 286 286 VAL N N 123.104 0.1 . 1487 287 287 ASP C C 174.612 0.1 . 1488 287 287 ASP CA C 55.601 0.1 . 1489 287 287 ASP CB C 44.644 0.1 . 1490 287 287 ASP CG C 176.719 0.1 . 1491 287 287 ASP N N 121.100 0.1 . 1492 288 288 LEU C C 176.900 0.1 . 1493 288 288 LEU CA C 57.800 0.1 . 1494 288 288 LEU CB C 41.017 0.1 . 1495 288 288 LEU CG C 26.552 0.1 . 1496 288 288 LEU CD1 C 23.515 0.1 . 1497 288 288 LEU CD2 C 22.716 0.1 . 1498 288 288 LEU N N 116.200 0.1 . 1499 289 289 MET C C 178.600 0.1 . 1500 289 289 MET CA C 55.640 0.1 . 1501 289 289 MET CB C 34.218 0.1 . 1502 289 289 MET CG C 31.607 0.1 . 1503 289 289 MET CE C 17.718 0.1 . 1504 289 289 MET N N 119.200 0.1 . 1505 290 290 SER C C 176.898 0.1 . 1506 290 290 SER CA C 56.821 0.1 . 1507 290 290 SER CB C 63.705 0.1 . 1508 290 290 SER N N 121.500 0.1 . 1509 291 291 ASP C C 174.703 0.1 . 1510 291 291 ASP CA C 54.798 0.1 . 1511 291 291 ASP CB C 41.109 0.1 . 1512 291 291 ASP CG C 176.100 0.1 . 1513 291 291 ASP N N 124.205 0.1 . 1514 292 292 VAL C C 174.597 0.1 . 1515 292 292 VAL CA C 60.803 0.1 . 1516 292 292 VAL CB C 33.347 0.1 . 1517 292 292 VAL CG1 C 21.297 0.1 . 1518 292 292 VAL CG2 C 21.604 0.1 . 1519 292 292 VAL N N 122.730 0.1 . 1520 293 293 ASP C C 176.415 0.1 . 1521 293 293 ASP CA C 54.702 0.1 . 1522 293 293 ASP CB C 42.819 0.1 . 1523 293 293 ASP CG C 174.502 0.1 . 1524 293 293 ASP N N 125.822 0.1 . 1525 294 294 GLY C C 173.901 0.1 . 1526 294 294 GLY CA C 45.700 0.1 . 1527 294 294 GLY N N 107.000 0.1 . 1528 295 295 MET C C 177.014 0.1 . 1529 295 295 MET CA C 54.500 0.1 . 1530 295 295 MET CB C 33.740 0.1 . 1531 295 295 MET CG C 31.691 0.1 . 1532 295 295 MET CE C 18.000 0.1 . 1533 295 295 MET N N 121.500 0.1 . 1534 296 296 THR C C 172.603 0.1 . 1535 296 296 THR CA C 61.305 0.1 . 1536 296 296 THR CB C 70.800 0.1 . 1537 296 296 THR CG2 C 21.212 0.1 . 1538 296 296 THR N N 117.916 0.1 . 1539 297 297 HIS C C 174.300 0.1 . 1540 297 297 HIS CA C 55.105 0.1 . 1541 297 297 HIS CB C 33.600 0.1 . 1542 297 297 HIS CG C 130.304 0.1 . 1543 297 297 HIS N N 125.813 0.1 . 1544 298 298 ILE C C 174.805 0.1 . 1545 298 298 ILE CA C 60.516 0.1 . 1546 298 298 ILE CB C 42.518 0.1 . 1547 298 298 ILE CG1 C 27.416 0.1 . 1548 298 298 ILE CG2 C 17.400 0.1 . 1549 298 298 ILE CD1 C 14.400 0.1 . 1550 298 298 ILE N N 126.700 0.1 . 1551 299 299 ASP C C 176.315 0.1 . 1552 299 299 ASP CA C 54.318 0.1 . 1553 299 299 ASP CB C 43.000 0.1 . 1554 299 299 ASP CG C 174.600 0.1 . 1555 299 299 ASP N N 127.400 0.1 . 1556 300 300 TYR C C 176.035 0.1 . 1557 300 300 TYR CA C 55.008 0.1 . 1558 300 300 TYR CB C 39.500 0.1 . 1559 300 300 TYR CG C 131.103 0.1 . 1560 300 300 TYR CD1 C 136.723 0.1 . 1561 300 300 TYR CD2 C 136.723 0.1 . 1562 300 300 TYR N N 119.600 0.1 . 1563 301 301 THR CA C 61.711 0.1 . 1564 301 301 THR CB C 70.800 0.1 . 1565 301 301 THR CG2 C 23.900 0.1 . 1566 301 301 THR N N 117.700 0.1 . stop_ save_ save_assigned_chemical_shifts_2 _Saveframe_category assigned_chemical_shifts _Details 'Assigned chemical shift for the second conformers.' loop_ _Experiment_label '3D NCACX' '3D NCOCX' '3D CANcoCA' '2D C-C' 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 in PC bilayers, conformer 2' _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 178.600 0.1 . 2 71 71 PHE CA C 62.000 0.1 . 3 71 71 PHE CB C 37.600 0.1 . 4 71 71 PHE CD1 C 131.000 0.1 . 5 71 71 PHE N N 120.300 0.1 . 6 72 72 VAL C C 179.300 0.1 . 7 72 72 VAL CA C 68.600 0.1 . 8 72 72 VAL CB C 31.600 0.1 . 9 72 72 VAL CG1 C 24.100 0.1 . 10 72 72 VAL CG2 C 22.100 0.1 . 11 72 72 VAL N N 123.100 0.1 . 12 73 73 VAL C C 176.500 0.1 . 13 73 73 VAL CA C 68.200 0.1 . 14 73 73 VAL CB C 31.200 0.1 . 15 73 73 VAL CG1 C 24.100 0.1 . 16 73 73 VAL CG2 C 22.000 0.1 . 17 73 73 VAL N N 123.700 0.1 . stop_ save_