data_26589 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for the yeast ADP/ATP carrier 3 ; _BMRB_accession_number 26589 _BMRB_flat_file_name bmr26589.str _Entry_type original _Submission_date 2015-06-17 _Accession_date 2015-06-17 _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 Bruschweiler Sven . . 2 Yang Qin . . 3 Run Changqing . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 256 "13C chemical shifts" 669 "15N chemical shifts" 256 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-07-13 original BMRB . stop_ _Original_release_date 2015-07-13 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Substrate Modulated Dynamics of the ADP/ATP Transporter Revealed by NMR Relaxation Dispersion ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bruschweiler Sven . . 2 Yang Qin . . 3 Run Changqing . . 4 Chou James . . stop_ _Journal_abbreviation 'Nat. Struct. Biol.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name yAAC3 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label yAAC3 $yAAC3 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_yAAC3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common yAAC3 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 307 _Mol_residue_sequence ; RGSDAKQQETNFAINFLMGG VSAAIAKTAASPIERVKILI QNQDEMIKQGTLDKKYSGIV DAFKRTAKQEGLISFWRGNT ANVIRYFPTQALNFAFKDKI KLMFGFKKEEGYGKWFAGNL ASGGAAGALSLLFVYSLDFA RTRLAADAKSSKKGGARQFN GLTDVYKKTLKSDGIAGLYR GFMPSVVGIVVYRGLYFGMF DSLKPLVLTGSLDGSFLASF LLGWVVTTGASTVSYPLDTV RRRMMMTSGQAVKYNGAIDA LKKIVASEGVGSLFKGAGAN ILRSVAGAGVISMYDQLQMI LFGKKFK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 ARG 2 2 GLY 3 3 SER 4 4 ASP 5 5 ALA 6 6 LYS 7 7 GLN 8 8 GLN 9 9 GLU 10 10 THR 11 11 ASN 12 12 PHE 13 13 ALA 14 14 ILE 15 15 ASN 16 16 PHE 17 17 LEU 18 18 MET 19 19 GLY 20 20 GLY 21 21 VAL 22 22 SER 23 23 ALA 24 24 ALA 25 25 ILE 26 26 ALA 27 27 LYS 28 28 THR 29 29 ALA 30 30 ALA 31 31 SER 32 32 PRO 33 33 ILE 34 34 GLU 35 35 ARG 36 36 VAL 37 37 LYS 38 38 ILE 39 39 LEU 40 40 ILE 41 41 GLN 42 42 ASN 43 43 GLN 44 44 ASP 45 45 GLU 46 46 MET 47 47 ILE 48 48 LYS 49 49 GLN 50 50 GLY 51 51 THR 52 52 LEU 53 53 ASP 54 54 LYS 55 55 LYS 56 56 TYR 57 57 SER 58 58 GLY 59 59 ILE 60 60 VAL 61 61 ASP 62 62 ALA 63 63 PHE 64 64 LYS 65 65 ARG 66 66 THR 67 67 ALA 68 68 LYS 69 69 GLN 70 70 GLU 71 71 GLY 72 72 LEU 73 73 ILE 74 74 SER 75 75 PHE 76 76 TRP 77 77 ARG 78 78 GLY 79 79 ASN 80 80 THR 81 81 ALA 82 82 ASN 83 83 VAL 84 84 ILE 85 85 ARG 86 86 TYR 87 87 PHE 88 88 PRO 89 89 THR 90 90 GLN 91 91 ALA 92 92 LEU 93 93 ASN 94 94 PHE 95 95 ALA 96 96 PHE 97 97 LYS 98 98 ASP 99 99 LYS 100 100 ILE 101 101 LYS 102 102 LEU 103 103 MET 104 104 PHE 105 105 GLY 106 106 PHE 107 107 LYS 108 108 LYS 109 109 GLU 110 110 GLU 111 111 GLY 112 112 TYR 113 113 GLY 114 114 LYS 115 115 TRP 116 116 PHE 117 117 ALA 118 118 GLY 119 119 ASN 120 120 LEU 121 121 ALA 122 122 SER 123 123 GLY 124 124 GLY 125 125 ALA 126 126 ALA 127 127 GLY 128 128 ALA 129 129 LEU 130 130 SER 131 131 LEU 132 132 LEU 133 133 PHE 134 134 VAL 135 135 TYR 136 136 SER 137 137 LEU 138 138 ASP 139 139 PHE 140 140 ALA 141 141 ARG 142 142 THR 143 143 ARG 144 144 LEU 145 145 ALA 146 146 ALA 147 147 ASP 148 148 ALA 149 149 LYS 150 150 SER 151 151 SER 152 152 LYS 153 153 LYS 154 154 GLY 155 155 GLY 156 156 ALA 157 157 ARG 158 158 GLN 159 159 PHE 160 160 ASN 161 161 GLY 162 162 LEU 163 163 THR 164 164 ASP 165 165 VAL 166 166 TYR 167 167 LYS 168 168 LYS 169 169 THR 170 170 LEU 171 171 LYS 172 172 SER 173 173 ASP 174 174 GLY 175 175 ILE 176 176 ALA 177 177 GLY 178 178 LEU 179 179 TYR 180 180 ARG 181 181 GLY 182 182 PHE 183 183 MET 184 184 PRO 185 185 SER 186 186 VAL 187 187 VAL 188 188 GLY 189 189 ILE 190 190 VAL 191 191 VAL 192 192 TYR 193 193 ARG 194 194 GLY 195 195 LEU 196 196 TYR 197 197 PHE 198 198 GLY 199 199 MET 200 200 PHE 201 201 ASP 202 202 SER 203 203 LEU 204 204 LYS 205 205 PRO 206 206 LEU 207 207 VAL 208 208 LEU 209 209 THR 210 210 GLY 211 211 SER 212 212 LEU 213 213 ASP 214 214 GLY 215 215 SER 216 216 PHE 217 217 LEU 218 218 ALA 219 219 SER 220 220 PHE 221 221 LEU 222 222 LEU 223 223 GLY 224 224 TRP 225 225 VAL 226 226 VAL 227 227 THR 228 228 THR 229 229 GLY 230 230 ALA 231 231 SER 232 232 THR 233 233 VAL 234 234 SER 235 235 TYR 236 236 PRO 237 237 LEU 238 238 ASP 239 239 THR 240 240 VAL 241 241 ARG 242 242 ARG 243 243 ARG 244 244 MET 245 245 MET 246 246 MET 247 247 THR 248 248 SER 249 249 GLY 250 250 GLN 251 251 ALA 252 252 VAL 253 253 LYS 254 254 TYR 255 255 ASN 256 256 GLY 257 257 ALA 258 258 ILE 259 259 ASP 260 260 ALA 261 261 LEU 262 262 LYS 263 263 LYS 264 264 ILE 265 265 VAL 266 266 ALA 267 267 SER 268 268 GLU 269 269 GLY 270 270 VAL 271 271 GLY 272 272 SER 273 273 LEU 274 274 PHE 275 275 LYS 276 276 GLY 277 277 ALA 278 278 GLY 279 279 ALA 280 280 ASN 281 281 ILE 282 282 LEU 283 283 ARG 284 284 SER 285 285 VAL 286 286 ALA 287 287 GLY 288 288 ALA 289 289 GLY 290 290 VAL 291 291 ILE 292 292 SER 293 293 MET 294 294 TYR 295 295 ASP 296 296 GLN 297 297 LEU 298 298 GLN 299 299 MET 300 300 ILE 301 301 LEU 302 302 PHE 303 303 GLY 304 304 LYS 305 305 LYS 306 306 PHE 307 307 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-22 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 4C9J "Structure Of Yeast Mitochondrial Adp/atp Carrier Isoform 3 Inhibited By Carboxyatractyloside (p212121 Crystal Form)" 99.35 322 98.69 98.69 0.00e+00 PDB 4C9Q "Structure Of Yeast Mitochondrial Adp/atp Carrier Isoform 3 Inhibited By Carboxyatractyloside (p21 Crystal Form)" 99.35 322 98.69 98.69 0.00e+00 DBJ GAA21635 "K7_Aac3p [Saccharomyces cerevisiae Kyokai no. 7]" 99.35 307 98.69 98.69 0.00e+00 EMBL CAA85031 "AAC3 [Saccharomyces cerevisiae]" 99.35 307 98.69 98.69 0.00e+00 EMBL CBK39159 "Aac3p [Saccharomyces cerevisiae EC1118]" 99.35 307 98.36 98.36 0.00e+00 GB AAA97485 "ADP/ATP-translocator protein [Saccharomyces cerevisiae]" 99.35 307 98.69 98.69 0.00e+00 GB AHY74567 "Aac3p [Saccharomyces cerevisiae YJM993]" 99.35 307 98.36 98.36 0.00e+00 GB AJP37166 "Aac3p [Saccharomyces cerevisiae YJM1078]" 99.35 307 98.36 98.36 0.00e+00 GB AJP82061 "Aac3p [Saccharomyces cerevisiae YJM1402]" 99.35 307 98.69 98.69 0.00e+00 GB AJP82451 "Aac3p [Saccharomyces cerevisiae YJM1415]" 99.35 307 98.36 98.36 0.00e+00 REF NP_009642 "ADP/ATP carrier protein AAC3 [Saccharomyces cerevisiae S288c]" 99.35 307 98.69 98.69 0.00e+00 SP P18238 "RecName: Full=ADP,ATP carrier protein 3; AltName: Full=ADP/ATP translocase 3; AltName: Full=Adenine nucleotide translocator 3; " 99.35 307 98.69 98.69 0.00e+00 TPG DAA07205 "TPA: ADP/ATP carrier protein AAC3 [Saccharomyces cerevisiae S288c]" 99.35 307 98.69 98.69 0.00e+00 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $yAAC3 "Baker's yeast" 4932 Eukaryota Fungi Saccharomyces cerevisiae stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $yAAC3 'recombinant technology' . Escherichia coli . pET21a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $yAAC3 0.8 mM '[U-100% 13C; U-100% 15N]' H2O 93 % 'natural abundance' D2O 7 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CCPN _Saveframe_category software _Name CCPN _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(COCA)CB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.025 . M pH 6 . pH pressure 1 . atm temperature 303.15 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water H 1 protons ppm 4.7 internal indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HN(CO)CA' '3D HNCA' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name yAAC3 _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 1 1 ARG H H 8.368 . . 2 1 1 ARG C C 176.917 . . 3 1 1 ARG CA C 55.675 . . 4 1 1 ARG CB C 30.257 . . 5 1 1 ARG N N 122.176 . . 6 2 2 GLY H H 8.416 . . 7 2 2 GLY C C 174.326 . . 8 2 2 GLY CA C 44.807 . . 9 2 2 GLY N N 110.966 . . 10 3 3 SER H H 8.200 . . 11 3 3 SER C C 174.354 . . 12 3 3 SER CA C 58.160 . . 13 3 3 SER N N 116.218 . . 14 4 4 ASP H H 8.307 . . 15 4 4 ASP C C 176.168 . . 16 4 4 ASP CA C 53.966 . . 17 4 4 ASP CB C 40.489 . . 18 4 4 ASP N N 122.714 . . 19 5 5 ALA H H 8.071 . . 20 5 5 ALA C C 178.012 . . 21 5 5 ALA CA C 52.520 . . 22 5 5 ALA CB C 18.180 . . 23 5 5 ALA N N 124.716 . . 24 6 6 LYS H H 8.153 . . 25 6 6 LYS C C 177.088 . . 26 6 6 LYS CA C 56.130 . . 27 6 6 LYS CB C 31.494 . . 28 6 6 LYS N N 120.263 . . 29 7 7 GLN H H 8.213 . . 30 7 7 GLN C C 176.212 . . 31 7 7 GLN CA C 55.846 . . 32 7 7 GLN CB C 28.328 . . 33 7 7 GLN N N 121.502 . . 34 8 8 GLN H H 8.292 . . 35 8 8 GLN C C 176.317 . . 36 8 8 GLN CA C 55.814 . . 37 8 8 GLN CB C 28.432 . . 38 8 8 GLN N N 121.422 . . 39 9 9 GLU H H 8.443 . . 40 9 9 GLU C C 176.919 . . 41 9 9 GLU CA C 56.727 . . 42 9 9 GLU CB C 29.245 . . 43 9 9 GLU N N 122.647 . . 44 10 10 THR H H 8.129 . . 45 10 10 THR C C 176.912 . . 46 10 10 THR CA C 62.369 . . 47 10 10 THR CB C 68.755 . . 48 10 10 THR N N 116.124 . . 49 11 11 ASN H H 8.405 . . 50 11 11 ASN C C 175.609 . . 51 11 11 ASN CA C 53.633 . . 52 11 11 ASN CB C 38.336 . . 53 11 11 ASN N N 121.809 . . 54 12 12 PHE H H 8.435 . . 55 12 12 PHE C C 176.458 . . 56 12 12 PHE CA C 59.528 . . 57 12 12 PHE CB C 38.228 . . 58 12 12 PHE N N 122.087 . . 59 13 13 ALA H H 8.126 . . 60 13 13 ALA C C 178.584 . . 61 13 13 ALA CA C 54.101 . . 62 13 13 ALA CB C 17.771 . . 63 13 13 ALA N N 123.840 . . 64 14 14 ILE H H 8.032 . . 65 14 14 ILE CB C 36.612 . . 66 14 14 ILE N N 117.921 . . 67 15 15 ASN H H 8.109 . . 68 15 15 ASN C C 177.645 . . 69 15 15 ASN CA C 55.671 . . 70 15 15 ASN CB C 37.714 . . 71 15 15 ASN N N 119.239 . . 72 16 16 PHE H H 8.081 . . 73 16 16 PHE C C 177.341 . . 74 16 16 PHE CA C 59.950 . . 75 16 16 PHE CB C 38.316 . . 76 16 16 PHE N N 121.279 . . 77 17 17 LEU H H 7.971 . . 78 17 17 LEU C C 178.031 . . 79 17 17 LEU CA C 56.878 . . 80 17 17 LEU N N 119.826 . . 81 18 18 MET H H 8.285 . . 82 18 18 MET C C 178.233 . . 83 18 18 MET CB C 31.313 . . 84 18 18 MET N N 116.532 . . 85 19 19 GLY H H 8.023 . . 86 19 19 GLY C C 175.857 . . 87 19 19 GLY CA C 45.957 . . 88 19 19 GLY N N 108.127 . . 89 20 20 GLY H H 8.035 . . 90 20 20 GLY C C 175.017 . . 91 20 20 GLY CA C 45.943 . . 92 20 20 GLY N N 110.300 . . 93 21 21 VAL H H 8.142 . . 94 21 21 VAL C C 176.962 . . 95 21 21 VAL CA C 65.062 . . 96 21 21 VAL CB C 30.722 . . 97 21 21 VAL N N 121.332 . . 98 22 22 SER H H 8.179 . . 99 22 22 SER C C 176.209 . . 100 22 22 SER CA C 60.865 . . 101 22 22 SER CB C 62.314 . . 102 22 22 SER N N 115.817 . . 103 23 23 ALA H H 7.882 . . 104 23 23 ALA C C 179.287 . . 105 23 23 ALA CA C 53.901 . . 106 23 23 ALA CB C 17.470 . . 107 23 23 ALA N N 123.636 . . 108 24 24 ALA H H 7.847 . . 109 24 24 ALA C C 179.629 . . 110 24 24 ALA CA C 53.979 . . 111 24 24 ALA CB C 17.726 . . 112 24 24 ALA N N 120.827 . . 113 25 25 ILE H H 7.955 . . 114 25 25 ILE C C 177.047 . . 115 25 25 ILE CA C 62.930 . . 116 25 25 ILE CB C 37.030 . . 117 25 25 ILE N N 117.362 . . 118 26 26 ALA H H 7.890 . . 119 26 26 ALA C C 178.720 . . 120 26 26 ALA CA C 53.646 . . 121 26 26 ALA N N 123.182 . . 122 27 27 LYS H H 7.795 . . 123 27 27 LYS C C 177.500 . . 124 27 27 LYS CA C 56.883 . . 125 27 27 LYS CB C 31.612 . . 126 27 27 LYS N N 117.432 . . 127 28 28 THR H H 7.718 . . 128 28 28 THR C C 174.439 . . 129 28 28 THR CA C 62.827 . . 130 28 28 THR CB C 68.929 . . 131 28 28 THR N N 114.161 . . 132 29 29 ALA H H 8.165 . . 133 29 29 ALA C C 176.773 . . 134 29 29 ALA CA C 52.124 . . 135 29 29 ALA N N 124.370 . . 136 30 30 ALA H H 7.779 . . 137 30 30 ALA C C 177.768 . . 138 30 30 ALA CA C 52.570 . . 139 30 30 ALA N N 121.345 . . 140 31 31 SER H H 8.406 . . 141 31 31 SER CA C 57.586 . . 142 31 31 SER N N 115.243 . . 143 32 32 PRO C C 177.623 . . 144 32 32 PRO CA C 65.073 . . 145 32 32 PRO CB C 31.002 . . 146 33 33 ILE H H 7.847 . . 147 33 33 ILE C C 177.276 . . 148 33 33 ILE CA C 63.628 . . 149 33 33 ILE CB C 36.295 . . 150 33 33 ILE N N 116.704 . . 151 34 34 GLU H H 7.756 . . 152 34 34 GLU C C 178.813 . . 153 34 34 GLU CA C 63.602 . . 154 34 34 GLU CB C 28.260 . . 155 34 34 GLU N N 120.789 . . 156 35 35 ARG H H 7.893 . . 157 35 35 ARG C C 178.711 . . 158 35 35 ARG CA C 58.126 . . 159 35 35 ARG CB C 29.123 . . 160 35 35 ARG N N 117.690 . . 161 36 36 VAL H H 7.889 . . 162 36 36 VAL C C 175.584 . . 163 36 36 VAL CA C 65.588 . . 164 36 36 VAL CB C 30.393 . . 165 36 36 VAL N N 119.229 . . 166 37 37 LYS H H 8.039 . . 167 37 37 LYS C C 178.551 . . 168 37 37 LYS CA C 59.992 . . 169 37 37 LYS N N 120.178 . . 170 38 38 ILE H H 7.631 . . 171 38 38 ILE C C 177.828 . . 172 38 38 ILE CA C 63.471 . . 173 38 38 ILE CB C 36.837 . . 174 38 38 ILE N N 118.858 . . 175 39 39 LEU H H 7.595 . . 176 39 39 LEU C C 178.730 . . 177 39 39 LEU CA C 57.346 . . 178 39 39 LEU CB C 41.085 . . 179 39 39 LEU N N 121.333 . . 180 40 40 ILE H H 7.890 . . 181 40 40 ILE CA C 63.180 . . 182 40 40 ILE N N 115.948 . . 183 41 41 GLN H H 7.930 . . 184 41 41 GLN C C 177.760 . . 185 41 41 GLN CA C 57.522 . . 186 41 41 GLN N N 119.941 . . 187 42 42 ASN H H 8.047 . . 188 42 42 ASN CA C 57.353 . . 189 42 42 ASN N N 119.338 . . 190 47 47 ILE H H 7.924 . . 191 47 47 ILE C C 177.324 . . 192 47 47 ILE CA C 62.110 . . 193 47 47 ILE N N 119.679 . . 194 48 48 LYS H H 8.011 . . 195 48 48 LYS CA C 57.344 . . 196 48 48 LYS N N 122.697 . . 197 49 49 GLN C C 176.971 . . 198 49 49 GLN CA C 56.289 . . 199 50 50 GLY H H 8.208 . . 200 50 50 GLY C C 174.439 . . 201 50 50 GLY CA C 45.400 . . 202 50 50 GLY N N 109.001 . . 203 51 51 THR H H 7.872 . . 204 51 51 THR C C 174.962 . . 205 51 51 THR CA C 62.308 . . 206 51 51 THR CB C 68.877 . . 207 51 51 THR N N 113.810 . . 208 52 52 LEU H H 8.164 . . 209 52 52 LEU N N 122.908 . . 210 53 53 ASP C C 177.240 . . 211 53 53 ASP CA C 55.036 . . 212 54 54 LYS H H 8.069 . . 213 54 54 LYS C C 178.305 . . 214 54 54 LYS CA C 57.429 . . 215 54 54 LYS N N 122.334 . . 216 55 55 LYS H H 8.381 . . 217 55 55 LYS C C 177.631 . . 218 55 55 LYS CA C 57.551 . . 219 55 55 LYS CB C 31.056 . . 220 55 55 LYS N N 121.119 . . 221 56 56 TYR H H 7.985 . . 222 56 56 TYR C C 176.726 . . 223 56 56 TYR CA C 58.409 . . 224 56 56 TYR CB C 37.248 . . 225 56 56 TYR N N 117.887 . . 226 57 57 SER H H 8.085 . . 227 57 57 SER C C 176.179 . . 228 57 57 SER CA C 60.964 . . 229 57 57 SER CB C 62.416 . . 230 57 57 SER N N 116.233 . . 231 58 58 GLY H H 8.296 . . 232 58 58 GLY C C 176.319 . . 233 58 58 GLY CA C 46.199 . . 234 58 58 GLY N N 110.299 . . 235 59 59 ILE H H 7.835 . . 236 59 59 ILE C C 177.062 . . 237 59 59 ILE CA C 63.980 . . 238 59 59 ILE CB C 36.929 . . 239 59 59 ILE N N 123.229 . . 240 60 60 VAL H H 7.882 . . 241 60 60 VAL C C 178.076 . . 242 60 60 VAL CA C 66.759 . . 243 60 60 VAL CB C 30.371 . . 244 60 60 VAL N N 120.742 . . 245 61 61 ASP H H 8.201 . . 246 61 61 ASP C C 178.392 . . 247 61 61 ASP CA C 57.179 . . 248 61 61 ASP CB C 40.424 . . 249 61 61 ASP N N 119.377 . . 250 62 62 ALA H H 7.774 . . 251 62 62 ALA C C 180.343 . . 252 62 62 ALA CA C 54.599 . . 253 62 62 ALA CB C 17.323 . . 254 62 62 ALA N N 121.763 . . 255 63 63 PHE H H 8.350 . . 256 63 63 PHE C C 177.159 . . 257 63 63 PHE CA C 60.780 . . 258 63 63 PHE CB C 38.181 . . 259 63 63 PHE N N 119.984 . . 260 64 64 LYS H H 8.431 . . 261 64 64 LYS C C 178.393 . . 262 64 64 LYS CA C 59.511 . . 263 64 64 LYS N N 119.360 . . 264 65 65 ARG H H 8.011 . . 265 65 65 ARG C C 178.418 . . 266 65 65 ARG CA C 58.224 . . 267 65 65 ARG N N 117.957 . . 268 66 66 THR H H 7.756 . . 269 66 66 THR C C 175.895 . . 270 66 66 THR CA C 64.957 . . 271 66 66 THR N N 116.158 . . 272 67 67 ALA H H 8.140 . . 273 67 67 ALA C C 177.653 . . 274 67 67 ALA N N 123.484 . . 275 68 68 LYS C C 176.772 . . 276 68 68 LYS CA C 56.487 . . 277 69 69 GLN H H 8.003 . . 278 69 69 GLN C C 176.619 . . 279 69 69 GLN CA C 56.675 . . 280 69 69 GLN CB C 28.202 . . 281 69 69 GLN N N 120.357 . . 282 70 70 GLU H H 8.494 . . 283 70 70 GLU C C 177.546 . . 284 70 70 GLU CA C 57.078 . . 285 70 70 GLU CB C 28.620 . . 286 70 70 GLU N N 120.417 . . 287 71 71 GLY H H 8.223 . . 288 71 71 GLY C C 175.103 . . 289 71 71 GLY CA C 45.497 . . 290 71 71 GLY N N 108.532 . . 291 72 72 LEU H H 8.185 . . 292 72 72 LEU C C 177.962 . . 293 72 72 LEU CA C 57.115 . . 294 72 72 LEU N N 122.126 . . 295 73 73 ILE H H 8.121 . . 296 73 73 ILE C C 177.458 . . 297 73 73 ILE CA C 63.152 . . 298 73 73 ILE CB C 36.385 . . 299 73 73 ILE N N 117.998 . . 300 74 74 SER H H 8.048 . . 301 74 74 SER CA C 60.356 . . 302 74 74 SER CB C 62.385 . . 303 74 74 SER N N 116.234 . . 304 75 75 PHE H H 7.925 . . 305 75 75 PHE CA C 59.903 . . 306 75 75 PHE CB C 38.336 . . 307 75 75 PHE N N 122.035 . . 308 76 76 TRP H H 8.014 . . 309 76 76 TRP CA C 58.561 . . 310 76 76 TRP N N 120.335 . . 311 77 77 ARG H H 8.147 . . 312 77 77 ARG C C 177.564 . . 313 77 77 ARG CA C 57.181 . . 314 77 77 ARG CB C 29.325 . . 315 77 77 ARG N N 118.816 . . 316 78 78 GLY H H 7.761 . . 317 78 78 GLY C C 174.238 . . 318 78 78 GLY CA C 45.082 . . 319 78 78 GLY N N 106.890 . . 320 79 79 ASN H H 7.894 . . 321 79 79 ASN C C 175.910 . . 322 79 79 ASN CA C 53.467 . . 323 79 79 ASN CB C 38.921 . . 324 79 79 ASN N N 118.268 . . 325 80 80 THR H H 7.936 . . 326 80 80 THR C C 175.272 . . 327 80 80 THR CA C 64.240 . . 328 80 80 THR CB C 67.939 . . 329 80 80 THR N N 115.248 . . 330 81 81 ALA H H 8.137 . . 331 81 81 ALA C C 178.786 . . 332 81 81 ALA CA C 53.879 . . 333 81 81 ALA CB C 17.555 . . 334 81 81 ALA N N 123.518 . . 335 82 82 ASN H H 7.957 . . 336 82 82 ASN C C 176.327 . . 337 82 82 ASN CA C 54.210 . . 338 82 82 ASN CB C 37.838 . . 339 82 82 ASN N N 115.859 . . 340 83 83 VAL H H 7.812 . . 341 83 83 VAL C C 176.539 . . 342 83 83 VAL CA C 64.421 . . 343 83 83 VAL CB C 31.092 . . 344 83 83 VAL N N 118.561 . . 345 84 84 ILE H H 7.684 . . 346 84 84 ILE C C 177.109 . . 347 84 84 ILE CA C 62.841 . . 348 84 84 ILE CB C 36.704 . . 349 84 84 ILE N N 117.954 . . 350 85 85 ARG H H 7.529 . . 351 85 85 ARG C C 176.610 . . 352 85 85 ARG CA C 57.280 . . 353 85 85 ARG CB C 28.936 . . 354 85 85 ARG N N 118.995 . . 355 86 86 TYR H H 7.632 . . 356 86 86 TYR C C 174.833 . . 357 86 86 TYR CA C 58.037 . . 358 86 86 TYR CB C 38.045 . . 359 86 86 TYR N N 117.014 . . 360 87 87 PHE H H 7.726 . . 361 87 87 PHE C C 174.162 . . 362 87 87 PHE CA C 56.227 . . 363 87 87 PHE CB C 38.351 . . 364 87 87 PHE N N 120.504 . . 365 88 88 PRO CA C 62.385 . . 366 89 89 THR H H 8.264 . . 367 89 89 THR C C 176.070 . . 368 89 89 THR CA C 64.118 . . 369 89 89 THR CB C 68.098 . . 370 89 89 THR N N 116.434 . . 371 90 90 GLN H H 8.648 . . 372 90 90 GLN CB C 27.512 . . 373 90 90 GLN N N 120.783 . . 374 91 91 ALA H H 7.928 . . 375 91 91 ALA C C 177.510 . . 376 91 91 ALA CA C 52.898 . . 377 91 91 ALA CB C 18.257 . . 378 91 91 ALA N N 121.747 . . 379 92 92 LEU H H 7.653 . . 380 92 92 LEU C C 176.549 . . 381 92 92 LEU CA C 54.918 . . 382 92 92 LEU CB C 40.656 . . 383 92 92 LEU N N 117.271 . . 384 93 93 ASN H H 7.867 . . 385 93 93 ASN C C 175.217 . . 386 93 93 ASN CA C 53.001 . . 387 93 93 ASN CB C 38.313 . . 388 93 93 ASN N N 118.075 . . 389 94 94 PHE H H 7.894 . . 390 94 94 PHE C C 175.535 . . 391 94 94 PHE CA C 58.002 . . 392 94 94 PHE CB C 38.537 . . 393 94 94 PHE N N 120.262 . . 394 95 95 ALA H H 8.178 . . 395 95 95 ALA C C 178.024 . . 396 95 95 ALA CA C 52.592 . . 397 95 95 ALA CB C 17.151 . . 398 95 95 ALA N N 125.042 . . 399 96 96 PHE H H 8.053 . . 400 96 96 PHE C C 176.854 . . 401 96 96 PHE CA C 59.759 . . 402 96 96 PHE N N 119.168 . . 403 97 97 LYS H H 8.309 . . 404 97 97 LYS C C 177.722 . . 405 97 97 LYS N N 120.039 . . 406 98 98 ASP H H 8.061 . . 407 98 98 ASP C C 178.349 . . 408 98 98 ASP CA C 56.765 . . 409 98 98 ASP CB C 39.785 . . 410 98 98 ASP N N 118.582 . . 411 99 99 LYS H H 7.737 . . 412 99 99 LYS C C 178.666 . . 413 99 99 LYS CA C 57.895 . . 414 99 99 LYS N N 119.407 . . 415 100 100 ILE H H 7.912 . . 416 100 100 ILE CA C 63.580 . . 417 100 100 ILE CB C 36.224 . . 418 100 100 ILE N N 119.428 . . 419 101 101 LYS H H 7.946 . . 420 101 101 LYS C C 178.751 . . 421 101 101 LYS CA C 59.786 . . 422 101 101 LYS N N 119.284 . . 423 102 102 LEU H H 7.674 . . 424 102 102 LEU CA C 56.755 . . 425 102 102 LEU CB C 40.854 . . 426 102 102 LEU N N 119.249 . . 427 103 103 MET H H 7.911 . . 428 103 103 MET N N 119.009 . . 429 111 111 GLY C C 174.572 . . 430 111 111 GLY CA C 44.777 . . 431 112 112 TYR H H 8.614 . . 432 112 112 TYR C C 177.208 . . 433 112 112 TYR CA C 59.511 . . 434 112 112 TYR CB C 37.676 . . 435 112 112 TYR N N 120.982 . . 436 113 113 GLY H H 8.756 . . 437 113 113 GLY C C 175.262 . . 438 113 113 GLY CA C 46.447 . . 439 113 113 GLY N N 109.397 . . 440 114 114 LYS H H 7.999 . . 441 114 114 LYS C C 178.037 . . 442 114 114 LYS CA C 57.513 . . 443 114 114 LYS CB C 31.267 . . 444 114 114 LYS N N 121.234 . . 445 115 115 TRP H H 7.983 . . 446 115 115 TRP C C 177.153 . . 447 115 115 TRP CA C 59.017 . . 448 115 115 TRP CB C 28.361 . . 449 115 115 TRP N N 121.179 . . 450 116 116 PHE H H 8.145 . . 451 116 116 PHE C C 175.895 . . 452 116 116 PHE CA C 58.804 . . 453 116 116 PHE CB C 38.716 . . 454 116 116 PHE N N 118.547 . . 455 117 117 ALA H H 8.032 . . 456 117 117 ALA C C 178.680 . . 457 117 117 ALA CA C 53.162 . . 458 117 117 ALA CB C 18.121 . . 459 117 117 ALA N N 122.234 . . 460 118 118 GLY H H 7.976 . . 461 118 118 GLY C C 174.704 . . 462 118 118 GLY CA C 45.466 . . 463 118 118 GLY N N 106.139 . . 464 119 119 ASN H H 7.892 . . 465 119 119 ASN C C 175.870 . . 466 119 119 ASN CA C 54.011 . . 467 119 119 ASN CB C 38.457 . . 468 119 119 ASN N N 119.004 . . 469 120 120 LEU H H 8.029 . . 470 120 120 LEU C C 177.220 . . 471 120 120 LEU CA C 55.923 . . 472 120 120 LEU CB C 41.094 . . 473 120 120 LEU N N 121.389 . . 474 121 121 ALA H H 7.878 . . 475 121 121 ALA C C 177.941 . . 476 121 121 ALA CB C 18.271 . . 477 121 121 ALA N N 121.130 . . 478 122 122 SER H H 7.870 . . 479 122 122 SER C C 175.291 . . 480 122 122 SER CA C 58.618 . . 481 122 122 SER CB C 63.066 . . 482 122 122 SER N N 113.531 . . 483 123 123 GLY H H 8.205 . . 484 123 123 GLY C C 175.366 . . 485 123 123 GLY CA C 45.207 . . 486 123 123 GLY N N 110.306 . . 487 124 124 GLY H H 8.274 . . 488 124 124 GLY C C 174.474 . . 489 124 124 GLY CA C 45.225 . . 490 124 124 GLY N N 109.611 . . 491 125 125 ALA H H 8.647 . . 492 125 125 ALA C C 178.263 . . 493 125 125 ALA CA C 54.102 . . 494 125 125 ALA CB C 17.881 . . 495 125 125 ALA N N 124.550 . . 496 126 126 ALA H H 8.448 . . 497 126 126 ALA C C 179.867 . . 498 126 126 ALA CA C 54.440 . . 499 126 126 ALA CB C 17.536 . . 500 126 126 ALA N N 120.020 . . 501 127 127 GLY H H 8.063 . . 502 127 127 GLY C C 175.877 . . 503 127 127 GLY CA C 46.146 . . 504 127 127 GLY N N 107.184 . . 505 128 128 ALA H H 8.037 . . 506 128 128 ALA C C 178.985 . . 507 128 128 ALA CA C 54.563 . . 508 128 128 ALA N N 124.996 . . 509 129 129 LEU H H 8.259 . . 510 129 129 LEU C C 178.515 . . 511 129 129 LEU CA C 57.354 . . 512 129 129 LEU N N 117.447 . . 513 130 130 SER H H 7.954 . . 514 130 130 SER CA C 61.984 . . 515 130 130 SER N N 114.231 . . 516 132 132 LEU C C 177.543 . . 517 132 132 LEU CA C 55.131 . . 518 132 132 LEU CB C 41.503 . . 519 133 133 PHE H H 7.743 . . 520 133 133 PHE CA C 60.339 . . 521 133 133 PHE N N 120.103 . . 522 134 134 VAL H H 8.103 . . 523 134 134 VAL N N 119.105 . . 524 138 138 ASP C C 178.773 . . 525 139 139 PHE H H 8.377 . . 526 139 139 PHE C C 177.509 . . 527 139 139 PHE CA C 60.529 . . 528 139 139 PHE CB C 37.505 . . 529 139 139 PHE N N 119.471 . . 530 140 140 ALA H H 8.438 . . 531 140 140 ALA C C 178.826 . . 532 140 140 ALA CA C 54.691 . . 533 140 140 ALA CB C 17.703 . . 534 140 140 ALA N N 121.723 . . 535 141 141 ARG H H 8.394 . . 536 141 141 ARG C C 178.676 . . 537 141 141 ARG CA C 59.278 . . 538 141 141 ARG CB C 29.335 . . 539 141 141 ARG N N 116.665 . . 540 142 142 THR H H 7.858 . . 541 142 142 THR CA C 64.577 . . 542 142 142 THR CB C 68.707 . . 543 142 142 THR N N 112.761 . . 544 143 143 ARG H H 7.742 . . 545 143 143 ARG C C 177.595 . . 546 143 143 ARG N N 121.238 . . 547 144 144 LEU H H 7.846 . . 548 144 144 LEU C C 177.145 . . 549 144 144 LEU CA C 55.421 . . 550 144 144 LEU CB C 40.932 . . 551 144 144 LEU N N 118.625 . . 552 145 145 ALA H H 7.518 . . 553 145 145 ALA C C 177.722 . . 554 145 145 ALA CA C 52.273 . . 555 145 145 ALA CB C 18.223 . . 556 145 145 ALA N N 121.866 . . 557 146 146 ALA H H 7.883 . . 558 146 146 ALA C C 177.975 . . 559 146 146 ALA CA C 52.573 . . 560 146 146 ALA CB C 18.221 . . 561 146 146 ALA N N 122.723 . . 562 147 147 ASP H H 8.153 . . 563 147 147 ASP C C 176.605 . . 564 147 147 ASP CA C 54.027 . . 565 147 147 ASP CB C 40.713 . . 566 147 147 ASP N N 119.666 . . 567 148 148 ALA H H 8.120 . . 568 148 148 ALA C C 178.433 . . 569 148 148 ALA CA C 52.825 . . 570 148 148 ALA CB C 18.147 . . 571 148 148 ALA N N 124.918 . . 572 149 149 LYS H H 8.124 . . 573 149 149 LYS C C 177.175 . . 574 149 149 LYS CA C 56.492 . . 575 149 149 LYS CB C 31.467 . . 576 149 149 LYS N N 119.288 . . 577 150 150 SER H H 7.994 . . 578 150 150 SER C C 174.830 . . 579 150 150 SER CA C 58.129 . . 580 150 150 SER CB C 63.082 . . 581 150 150 SER N N 115.907 . . 582 151 151 SER H H 8.146 . . 583 151 151 SER C C 174.657 . . 584 151 151 SER CA C 57.404 . . 585 151 151 SER CB C 63.110 . . 586 151 151 SER N N 118.181 . . 587 152 152 LYS H H 8.146 . . 588 152 152 LYS C C 176.623 . . 589 152 152 LYS CA C 55.935 . . 590 152 152 LYS CB C 31.684 . . 591 152 152 LYS N N 123.472 . . 592 153 153 LYS H H 8.183 . . 593 153 153 LYS C C 177.067 . . 594 153 153 LYS CA C 55.894 . . 595 153 153 LYS CB C 31.803 . . 596 153 153 LYS N N 122.834 . . 597 154 154 GLY H H 8.309 . . 598 154 154 GLY C C 174.559 . . 599 154 154 GLY CA C 44.859 . . 600 154 154 GLY N N 110.600 . . 601 155 155 GLY H H 8.192 . . 602 155 155 GLY C C 173.814 . . 603 155 155 GLY CA C 44.723 . . 604 155 155 GLY N N 109.349 . . 605 156 156 ALA H H 8.171 . . 606 156 156 ALA C C 177.756 . . 607 156 156 ALA CA C 52.053 . . 608 156 156 ALA CB C 18.470 . . 609 156 156 ALA N N 124.196 . . 610 157 157 ARG H H 8.280 . . 611 157 157 ARG C C 176.078 . . 612 157 157 ARG CA C 55.863 . . 613 157 157 ARG CB C 29.531 . . 614 157 157 ARG N N 120.677 . . 615 158 158 GLN H H 8.262 . . 616 158 158 GLN C C 175.617 . . 617 158 158 GLN CA C 55.511 . . 618 158 158 GLN CB C 28.860 . . 619 158 158 GLN N N 121.411 . . 620 159 159 PHE H H 8.397 . . 621 159 159 PHE C C 175.528 . . 622 159 159 PHE CA C 57.258 . . 623 159 159 PHE CB C 38.568 . . 624 159 159 PHE N N 120.815 . . 625 160 160 ASN H H 8.544 . . 626 160 160 ASN C C 175.567 . . 627 160 160 ASN CA C 53.662 . . 628 160 160 ASN CB C 38.426 . . 629 160 160 ASN N N 121.242 . . 630 161 161 GLY H H 7.973 . . 631 161 161 GLY C C 174.824 . . 632 161 161 GLY CA C 45.353 . . 633 161 161 GLY N N 108.543 . . 634 162 162 LEU H H 8.352 . . 635 162 162 LEU C C 178.240 . . 636 162 162 LEU CA C 56.666 . . 637 162 162 LEU CB C 41.162 . . 638 162 162 LEU N N 121.774 . . 639 163 163 THR H H 8.179 . . 640 163 163 THR C C 175.924 . . 641 163 163 THR CA C 64.919 . . 642 163 163 THR CB C 67.825 . . 643 163 163 THR N N 112.856 . . 644 164 164 ASP H H 7.864 . . 645 164 164 ASP C C 178.090 . . 646 164 164 ASP CA C 56.593 . . 647 164 164 ASP CB C 40.432 . . 648 164 164 ASP N N 121.647 . . 649 165 165 VAL H H 7.659 . . 650 165 165 VAL C C 177.990 . . 651 165 165 VAL CA C 65.006 . . 652 165 165 VAL CB C 30.879 . . 653 165 165 VAL N N 119.115 . . 654 166 166 TYR H H 7.946 . . 655 166 166 TYR C C 176.746 . . 656 166 166 TYR CA C 60.097 . . 657 166 166 TYR CB C 37.606 . . 658 166 166 TYR N N 121.285 . . 659 167 167 LYS H H 8.074 . . 660 167 167 LYS C C 178.233 . . 661 167 167 LYS CA C 58.793 . . 662 167 167 LYS N N 119.334 . . 663 168 168 LYS H H 7.873 . . 664 168 168 LYS C C 178.136 . . 665 168 168 LYS CA C 57.799 . . 666 168 168 LYS CB C 31.486 . . 667 168 168 LYS N N 118.265 . . 668 169 169 THR H H 7.797 . . 669 169 169 THR C C 175.326 . . 670 169 169 THR CB C 68.427 . . 671 169 169 THR N N 114.760 . . 672 170 170 LEU H H 7.829 . . 673 170 170 LEU C C 177.307 . . 674 170 170 LEU CA C 55.810 . . 675 170 170 LEU CB C 40.901 . . 676 170 170 LEU N N 121.988 . . 677 171 171 LYS H H 7.623 . . 678 171 171 LYS C C 176.904 . . 679 171 171 LYS CA C 56.229 . . 680 171 171 LYS CB C 31.580 . . 681 171 171 LYS N N 118.222 . . 682 172 172 SER H H 7.911 . . 683 172 172 SER C C 174.889 . . 684 172 172 SER CA C 58.825 . . 685 172 172 SER CB C 63.120 . . 686 172 172 SER N N 115.503 . . 687 173 173 ASP H H 8.452 . . 688 173 173 ASP C C 177.481 . . 689 173 173 ASP CA C 54.855 . . 690 173 173 ASP CB C 40.760 . . 691 173 173 ASP N N 122.105 . . 692 174 174 GLY H H 8.199 . . 693 174 174 GLY C C 174.978 . . 694 174 174 GLY CA C 45.449 . . 695 174 174 GLY N N 108.869 . . 696 175 175 ILE H H 8.376 . . 697 175 175 ILE C C 176.922 . . 698 175 175 ILE CA C 62.657 . . 699 175 175 ILE CB C 36.759 . . 700 175 175 ILE N N 121.555 . . 701 176 176 ALA H H 8.381 . . 702 176 176 ALA C C 179.562 . . 703 176 176 ALA CA C 54.309 . . 704 176 176 ALA CB C 17.464 . . 705 176 176 ALA N N 123.590 . . 706 177 177 GLY H H 7.884 . . 707 177 177 GLY C C 175.946 . . 708 177 177 GLY CA C 45.955 . . 709 177 177 GLY N N 105.003 . . 710 178 178 LEU H H 7.732 . . 711 178 178 LEU C C 177.807 . . 712 178 178 LEU CA C 56.486 . . 713 178 178 LEU CB C 41.278 . . 714 178 178 LEU N N 122.052 . . 715 179 179 TYR H H 7.833 . . 716 179 179 TYR C C 176.487 . . 717 179 179 TYR CA C 59.229 . . 718 179 179 TYR CB C 37.852 . . 719 179 179 TYR N N 117.429 . . 720 180 180 ARG H H 7.954 . . 721 180 180 ARG C C 177.678 . . 722 180 180 ARG CA C 57.575 . . 723 180 180 ARG N N 119.407 . . 724 181 181 GLY H H 7.875 . . 725 181 181 GLY C C 174.455 . . 726 181 181 GLY CA C 45.277 . . 727 181 181 GLY N N 106.030 . . 728 182 182 PHE C C 174.394 . . 729 182 182 PHE CA C 57.841 . . 730 183 183 MET H H 8.562 . . 731 183 183 MET CA C 55.076 . . 732 183 183 MET N N 123.385 . . 733 188 188 GLY C C 173.188 . . 734 188 188 GLY CA C 45.201 . . 735 189 189 ILE H H 7.434 . . 736 189 189 ILE CA C 62.150 . . 737 189 189 ILE N N 123.988 . . 738 195 195 LEU C C 179.584 . . 739 195 195 LEU CA C 57.703 . . 740 196 196 TYR H H 8.430 . . 741 196 196 TYR C C 176.690 . . 742 196 196 TYR CA C 60.708 . . 743 196 196 TYR CB C 37.981 . . 744 196 196 TYR N N 120.800 . . 745 197 197 PHE H H 8.579 . . 746 197 197 PHE CA C 60.093 . . 747 197 197 PHE N N 125.057 . . 748 198 198 GLY H H 8.325 . . 749 198 198 GLY N N 109.689 . . 750 200 200 PHE C C 174.054 . . 751 200 200 PHE CA C 58.361 . . 752 201 201 ASP H H 8.097 . . 753 201 201 ASP C C 178.353 . . 754 201 201 ASP CA C 57.130 . . 755 201 201 ASP N N 122.652 . . 756 202 202 SER H H 8.008 . . 757 202 202 SER CA C 60.153 . . 758 202 202 SER N N 114.174 . . 759 203 203 LEU H H 8.179 . . 760 203 203 LEU CA C 57.468 . . 761 203 203 LEU N N 120.711 . . 762 205 205 PRO C C 176.453 . . 763 205 205 PRO CA C 61.663 . . 764 206 206 LEU H H 7.589 . . 765 206 206 LEU C C 178.605 . . 766 206 206 LEU CA C 57.274 . . 767 206 206 LEU N N 121.892 . . 768 207 207 VAL H H 8.195 . . 769 207 207 VAL CA C 60.589 . . 770 207 207 VAL N N 121.675 . . 771 208 208 LEU C C 177.894 . . 772 208 208 LEU CA C 55.792 . . 773 209 209 THR H H 7.681 . . 774 209 209 THR CA C 61.965 . . 775 209 209 THR CB C 69.333 . . 776 209 209 THR N N 110.088 . . 777 210 210 GLY H H 7.984 . . 778 210 210 GLY C C 173.949 . . 779 210 210 GLY CA C 45.270 . . 780 210 210 GLY N N 110.647 . . 781 211 211 SER H H 7.952 . . 782 211 211 SER C C 173.762 . . 783 211 211 SER CA C 58.635 . . 784 211 211 SER CB C 63.251 . . 785 211 211 SER N N 115.457 . . 786 212 212 LEU H H 7.928 . . 787 212 212 LEU C C 175.595 . . 788 212 212 LEU CA C 54.202 . . 789 212 212 LEU CB C 41.693 . . 790 212 212 LEU N N 121.985 . . 791 213 213 ASP H H 8.181 . . 792 213 213 ASP C C 176.600 . . 793 213 213 ASP CA C 53.392 . . 794 213 213 ASP CB C 41.586 . . 795 213 213 ASP N N 121.359 . . 796 214 214 GLY H H 9.142 . . 797 214 214 GLY C C 174.954 . . 798 214 214 GLY CA C 46.320 . . 799 214 214 GLY N N 111.069 . . 800 215 215 SER H H 8.424 . . 801 215 215 SER C C 178.757 . . 802 215 215 SER CA C 60.599 . . 803 215 215 SER CB C 62.185 . . 804 215 215 SER N N 117.342 . . 805 216 216 PHE H H 8.286 . . 806 216 216 PHE CA C 62.553 . . 807 216 216 PHE N N 117.058 . . 808 217 217 LEU H H 8.045 . . 809 217 217 LEU C C 178.142 . . 810 217 217 LEU CA C 57.425 . . 811 217 217 LEU N N 123.485 . . 812 218 218 ALA H H 8.321 . . 813 218 218 ALA C C 178.825 . . 814 218 218 ALA CA C 55.063 . . 815 218 218 ALA CB C 17.380 . . 816 218 218 ALA N N 119.861 . . 817 219 219 SER H H 7.781 . . 818 219 219 SER C C 176.867 . . 819 219 219 SER CA C 61.248 . . 820 219 219 SER CB C 62.274 . . 821 219 219 SER N N 112.498 . . 822 220 220 PHE H H 8.120 . . 823 220 220 PHE C C 177.462 . . 824 220 220 PHE CA C 60.401 . . 825 220 220 PHE CB C 38.640 . . 826 220 220 PHE N N 123.017 . . 827 221 221 LEU H H 8.198 . . 828 221 221 LEU CA C 55.887 . . 829 221 221 LEU N N 119.090 . . 830 222 222 LEU C C 178.517 . . 831 222 222 LEU CA C 57.111 . . 832 223 223 GLY H H 7.851 . . 833 223 223 GLY N N 105.557 . . 834 224 224 TRP H H 7.834 . . 835 224 224 TRP CA C 59.702 . . 836 224 224 TRP N N 122.304 . . 837 226 226 VAL C C 176.805 . . 838 227 227 THR H H 7.850 . . 839 227 227 THR C C 175.587 . . 840 227 227 THR CA C 62.949 . . 841 227 227 THR N N 114.824 . . 842 228 228 THR H H 7.970 . . 843 228 228 THR CA C 63.154 . . 844 228 228 THR N N 116.924 . . 845 229 229 GLY H H 8.234 . . 846 229 229 GLY C C 174.132 . . 847 229 229 GLY CA C 45.543 . . 848 229 229 GLY N N 110.928 . . 849 230 230 ALA H H 8.009 . . 850 230 230 ALA C C 177.935 . . 851 230 230 ALA CA C 52.985 . . 852 230 230 ALA CB C 17.914 . . 853 230 230 ALA N N 123.495 . . 854 237 237 LEU H H 8.195 . . 855 237 237 LEU C C 178.162 . . 856 237 237 LEU CA C 56.693 . . 857 237 237 LEU CB C 41.215 . . 858 237 237 LEU N N 120.646 . . 859 238 238 ASP H H 8.389 . . 860 238 238 ASP C C 178.164 . . 861 238 238 ASP CA C 56.784 . . 862 238 238 ASP CB C 40.386 . . 863 238 238 ASP N N 119.731 . . 864 239 239 THR H H 7.870 . . 865 239 239 THR C C 176.311 . . 866 239 239 THR CA C 65.452 . . 867 239 239 THR CB C 68.030 . . 868 239 239 THR N N 115.225 . . 869 240 240 VAL H H 7.661 . . 870 240 240 VAL C C 177.198 . . 871 240 240 VAL CA C 65.771 . . 872 240 240 VAL CB C 30.536 . . 873 240 240 VAL N N 121.779 . . 874 241 241 ARG H H 8.241 . . 875 241 241 ARG C C 178.269 . . 876 241 241 ARG CA C 59.331 . . 877 241 241 ARG CB C 30.014 . . 878 241 241 ARG N N 119.992 . . 879 242 242 ARG H H 7.973 . . 880 242 242 ARG C C 178.597 . . 881 242 242 ARG CA C 58.502 . . 882 242 242 ARG CB C 29.064 . . 883 242 242 ARG N N 117.884 . . 884 243 243 ARG H H 7.789 . . 885 243 243 ARG C C 178.034 . . 886 243 243 ARG CA C 57.144 . . 887 243 243 ARG CB C 29.095 . . 888 243 243 ARG N N 118.643 . . 889 244 244 MET H H 7.991 . . 890 244 244 MET C C 176.576 . . 891 244 244 MET CA C 56.525 . . 892 244 244 MET CB C 31.540 . . 893 244 244 MET N N 117.698 . . 894 245 245 MET H H 7.760 . . 895 245 245 MET C C 178.693 . . 896 245 245 MET CA C 55.921 . . 897 245 245 MET CB C 31.319 . . 898 245 245 MET N N 117.745 . . 899 246 246 MET H H 7.910 . . 900 246 246 MET C C 177.587 . . 901 246 246 MET CA C 55.807 . . 902 246 246 MET CB C 32.271 . . 903 246 246 MET N N 119.525 . . 904 247 247 THR H H 7.990 . . 905 247 247 THR C C 174.978 . . 906 247 247 THR CA C 61.752 . . 907 247 247 THR CB C 69.192 . . 908 247 247 THR N N 114.102 . . 909 248 248 SER H H 8.302 . . 910 248 248 SER C C 175.530 . . 911 248 248 SER CA C 59.021 . . 912 248 248 SER CB C 63.000 . . 913 248 248 SER N N 117.835 . . 914 249 249 GLY H H 8.413 . . 915 249 249 GLY C C 174.846 . . 916 249 249 GLY CA C 45.369 . . 917 249 249 GLY N N 110.738 . . 918 250 250 GLN H H 8.015 . . 919 250 250 GLN C C 176.257 . . 920 250 250 GLN CA C 55.989 . . 921 250 250 GLN N N 120.168 . . 922 251 251 ALA H H 8.205 . . 923 251 251 ALA C C 178.155 . . 924 251 251 ALA CA C 53.054 . . 925 251 251 ALA N N 123.796 . . 926 252 252 VAL H H 7.797 . . 927 252 252 VAL C C 176.741 . . 928 252 252 VAL CA C 62.918 . . 929 252 252 VAL N N 118.117 . . 930 253 253 LYS C C 177.001 . . 931 253 253 LYS CA C 56.497 . . 932 253 253 LYS CB C 31.592 . . 933 254 254 TYR H H 8.112 . . 934 254 254 TYR C C 176.052 . . 935 254 254 TYR CA C 58.324 . . 936 254 254 TYR CB C 37.418 . . 937 254 254 TYR N N 119.945 . . 938 255 255 ASN H H 8.359 . . 939 255 255 ASN C C 176.776 . . 940 255 255 ASN CA C 54.999 . . 941 255 255 ASN N N 119.962 . . 942 256 256 GLY H H 8.153 . . 943 256 256 GLY C C 175.765 . . 944 256 256 GLY CA C 45.855 . . 945 256 256 GLY N N 108.786 . . 946 257 257 ALA H H 8.191 . . 947 257 257 ALA C C 178.757 . . 948 257 257 ALA CA C 54.698 . . 949 257 257 ALA N N 125.402 . . 950 258 258 ILE H H 8.086 . . 951 258 258 ILE C C 177.723 . . 952 258 258 ILE CA C 63.983 . . 953 258 258 ILE CB C 35.640 . . 954 258 258 ILE N N 117.763 . . 955 259 259 ASP H H 8.016 . . 956 259 259 ASP C C 178.546 . . 957 259 259 ASP CA C 57.274 . . 958 259 259 ASP CB C 40.444 . . 959 259 259 ASP N N 120.281 . . 960 260 260 ALA H H 7.749 . . 961 260 260 ALA C C 180.077 . . 962 260 260 ALA CA C 54.623 . . 963 260 260 ALA CB C 17.475 . . 964 260 260 ALA N N 121.285 . . 965 261 261 LEU H H 8.125 . . 966 261 261 LEU C C 178.618 . . 967 261 261 LEU CA C 57.414 . . 968 261 261 LEU CB C 40.889 . . 969 261 261 LEU N N 119.340 . . 970 262 262 LYS H H 8.430 . . 971 262 262 LYS C C 178.754 . . 972 262 262 LYS CA C 59.978 . . 973 262 262 LYS CB C 31.258 . . 974 262 262 LYS N N 118.580 . . 975 263 263 LYS H H 7.605 . . 976 263 263 LYS C C 179.417 . . 977 263 263 LYS CA C 58.718 . . 978 263 263 LYS CB C 31.390 . . 979 263 263 LYS N N 118.225 . . 980 264 264 ILE H H 7.828 . . 981 264 264 ILE C C 178.209 . . 982 264 264 ILE CA C 64.249 . . 983 264 264 ILE CB C 37.292 . . 984 264 264 ILE N N 120.491 . . 985 265 265 VAL H H 8.068 . . 986 265 265 VAL C C 176.310 . . 987 265 265 VAL CA C 64.914 . . 988 265 265 VAL CB C 30.083 . . 989 265 265 VAL N N 117.951 . . 990 266 266 ALA H H 7.624 . . 991 266 266 ALA C C 178.182 . . 992 266 266 ALA CA C 52.754 . . 993 266 266 ALA CB C 18.256 . . 994 266 266 ALA N N 120.076 . . 995 267 267 SER H H 7.593 . . 996 267 267 SER C C 175.358 . . 997 267 267 SER CA C 59.044 . . 998 267 267 SER CB C 63.385 . . 999 267 267 SER N N 113.334 . . 1000 268 268 GLU H H 8.616 . . 1001 268 268 GLU C C 177.874 . . 1002 268 268 GLU CA C 57.064 . . 1003 268 268 GLU N N 122.182 . . 1004 269 269 GLY H H 8.344 . . 1005 269 269 GLY C C 175.007 . . 1006 269 269 GLY CA C 45.164 . . 1007 269 269 GLY N N 109.100 . . 1008 270 270 VAL H H 8.287 . . 1009 270 270 VAL C C 177.157 . . 1010 270 270 VAL CA C 64.546 . . 1011 270 270 VAL CB C 30.768 . . 1012 270 270 VAL N N 120.397 . . 1013 271 271 GLY H H 8.666 . . 1014 271 271 GLY C C 176.107 . . 1015 271 271 GLY CA C 46.825 . . 1016 271 271 GLY N N 108.790 . . 1017 272 272 SER H H 7.928 . . 1018 272 272 SER C C 176.382 . . 1019 272 272 SER CA C 60.294 . . 1020 272 272 SER CB C 62.470 . . 1021 272 272 SER N N 116.250 . . 1022 273 273 LEU H H 7.662 . . 1023 273 273 LEU C C 177.331 . . 1024 273 273 LEU CA C 56.660 . . 1025 273 273 LEU CB C 40.886 . . 1026 273 273 LEU N N 122.248 . . 1027 274 274 PHE H H 7.656 . . 1028 274 274 PHE C C 175.980 . . 1029 274 274 PHE CA C 58.421 . . 1030 274 274 PHE CB C 38.450 . . 1031 274 274 PHE N N 114.989 . . 1032 275 275 LYS H H 7.758 . . 1033 275 275 LYS C C 177.388 . . 1034 275 275 LYS CA C 57.372 . . 1035 275 275 LYS CB C 31.732 . . 1036 275 275 LYS N N 118.902 . . 1037 276 276 GLY H H 8.324 . . 1038 276 276 GLY C C 175.080 . . 1039 276 276 GLY CA C 45.469 . . 1040 276 276 GLY N N 109.670 . . 1041 277 277 ALA H H 8.330 . . 1042 277 277 ALA C C 179.131 . . 1043 277 277 ALA CA C 53.640 . . 1044 277 277 ALA CB C 18.205 . . 1045 277 277 ALA N N 125.181 . . 1046 278 278 GLY H H 8.560 . . 1047 278 278 GLY C C 174.511 . . 1048 278 278 GLY CA C 46.532 . . 1049 278 278 GLY N N 106.529 . . 1050 279 279 ALA H H 8.057 . . 1051 279 279 ALA C C 179.291 . . 1052 279 279 ALA CA C 54.381 . . 1053 279 279 ALA CB C 17.479 . . 1054 279 279 ALA N N 123.401 . . 1055 280 280 ASN H H 7.959 . . 1056 280 280 ASN C C 177.903 . . 1057 280 280 ASN CA C 55.275 . . 1058 280 280 ASN CB C 37.599 . . 1059 280 280 ASN N N 116.250 . . 1060 281 281 ILE H H 8.068 . . 1061 281 281 ILE C C 177.654 . . 1062 281 281 ILE CA C 63.989 . . 1063 281 281 ILE CB C 36.951 . . 1064 281 281 ILE N N 121.803 . . 1065 282 282 LEU H H 8.016 . . 1066 282 282 LEU C C 178.388 . . 1067 282 282 LEU CA C 57.288 . . 1068 282 282 LEU CB C 40.314 . . 1069 282 282 LEU N N 120.139 . . 1070 283 283 ARG H H 7.917 . . 1071 283 283 ARG C C 178.439 . . 1072 283 283 ARG CA C 58.504 . . 1073 283 283 ARG CB C 29.098 . . 1074 283 283 ARG N N 117.450 . . 1075 284 284 SER H H 7.782 . . 1076 284 284 SER C C 175.719 . . 1077 284 284 SER CA C 60.737 . . 1078 284 284 SER CB C 62.878 . . 1079 284 284 SER N N 115.167 . . 1080 285 285 VAL H H 7.864 . . 1081 285 285 VAL C C 176.113 . . 1082 285 285 VAL CA C 63.491 . . 1083 285 285 VAL CB C 31.065 . . 1084 285 285 VAL N N 118.674 . . 1085 286 286 ALA H H 7.954 . . 1086 286 286 ALA C C 178.257 . . 1087 286 286 ALA CA C 52.955 . . 1088 286 286 ALA CB C 18.247 . . 1089 286 286 ALA N N 122.215 . . 1090 287 287 GLY H H 7.990 . . 1091 287 287 GLY C C 174.355 . . 1092 287 287 GLY CA C 45.397 . . 1093 287 287 GLY N N 106.477 . . 1094 288 288 ALA H H 8.061 . . 1095 288 288 ALA C C 179.168 . . 1096 288 288 ALA CA C 53.257 . . 1097 288 288 ALA CB C 18.177 . . 1098 288 288 ALA N N 123.024 . . 1099 289 289 GLY H H 8.356 . . 1100 289 289 GLY C C 175.132 . . 1101 289 289 GLY CA C 45.711 . . 1102 289 289 GLY N N 107.561 . . 1103 290 290 VAL H H 8.088 . . 1104 290 290 VAL C C 176.941 . . 1105 290 290 VAL CA C 64.753 . . 1106 290 290 VAL CB C 30.920 . . 1107 290 290 VAL N N 120.521 . . 1108 291 291 ILE H H 7.971 . . 1109 291 291 ILE C C 177.453 . . 1110 291 291 ILE CA C 63.148 . . 1111 291 291 ILE N N 120.944 . . 1112 292 292 SER H H 8.062 . . 1113 292 292 SER N N 116.256 . . 1114 293 293 MET C C 177.438 . . 1115 293 293 MET CA C 57.897 . . 1116 293 293 MET CB C 28.348 . . 1117 294 294 TYR H H 8.304 . . 1118 294 294 TYR C C 177.259 . . 1119 294 294 TYR CA C 60.874 . . 1120 294 294 TYR CB C 37.566 . . 1121 294 294 TYR N N 121.099 . . 1122 295 295 ASP H H 8.331 . . 1123 295 295 ASP C C 178.972 . . 1124 295 295 ASP CB C 39.333 . . 1125 295 295 ASP N N 120.341 . . 1126 296 296 GLN H H 7.972 . . 1127 296 296 GLN CB C 27.730 . . 1128 296 296 GLN N N 119.200 . . 1129 297 297 LEU H H 8.313 . . 1130 297 297 LEU C C 178.533 . . 1131 297 297 LEU CA C 57.405 . . 1132 297 297 LEU CB C 40.329 . . 1133 297 297 LEU N N 120.349 . . 1134 298 298 GLN H H 8.077 . . 1135 298 298 GLN C C 178.031 . . 1136 298 298 GLN CA C 59.449 . . 1137 298 298 GLN CB C 27.947 . . 1138 298 298 GLN N N 117.740 . . 1139 299 299 MET H H 7.628 . . 1140 299 299 MET C C 178.950 . . 1141 299 299 MET CA C 57.737 . . 1142 299 299 MET N N 118.112 . . 1143 300 300 ILE H H 7.922 . . 1144 300 300 ILE C C 176.902 . . 1145 300 300 ILE CA C 63.699 . . 1146 300 300 ILE CB C 37.553 . . 1147 300 300 ILE N N 119.865 . . 1148 301 301 LEU H H 7.884 . . 1149 301 301 LEU C C 177.458 . . 1150 301 301 LEU CA C 56.527 . . 1151 301 301 LEU CB C 41.275 . . 1152 301 301 LEU N N 116.893 . . 1153 302 302 PHE H H 7.867 . . 1154 302 302 PHE C C 177.037 . . 1155 302 302 PHE CA C 56.699 . . 1156 302 302 PHE CB C 39.367 . . 1157 302 302 PHE N N 112.857 . . 1158 303 303 GLY H H 7.837 . . 1159 303 303 GLY C C 173.290 . . 1160 303 303 GLY CA C 45.375 . . 1161 303 303 GLY N N 109.641 . . 1162 304 304 LYS H H 7.748 . . 1163 304 304 LYS C C 174.849 . . 1164 304 304 LYS CA C 55.337 . . 1165 304 304 LYS CB C 32.359 . . 1166 304 304 LYS N N 119.227 . . 1167 305 305 LYS H H 8.054 . . 1168 305 305 LYS C C 176.217 . . 1169 305 305 LYS CA C 55.335 . . 1170 305 305 LYS CB C 32.285 . . 1171 305 305 LYS N N 120.990 . . 1172 306 306 PHE H H 8.288 . . 1173 306 306 PHE C C 174.623 . . 1174 306 306 PHE CA C 57.456 . . 1175 306 306 PHE CB C 38.817 . . 1176 306 306 PHE N N 122.153 . . 1177 307 307 LYS H H 7.741 . . 1178 307 307 LYS C C 180.660 . . 1179 307 307 LYS CA C 57.236 . . 1180 307 307 LYS CB C 32.901 . . 1181 307 307 LYS N N 126.857 . . stop_ save_