data_27590 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assignment of pegylated E.coli asparaginase II (ANSII) by solid-state NMR ; _BMRB_accession_number 27590 _BMRB_flat_file_name bmr27590.str _Entry_type original _Submission_date 2018-08-24 _Accession_date 2018-08-24 _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 Cerofolini Linda . . 2 Giuntini Stefano . . 3 Carlon Azzurra . . 4 Ravera Enrico . . 5 Calderone Vito . . 6 Fragai Marco . . 7 Parigi Giacomo . . 8 Luchinat Claudio . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 189 "13C chemical shifts" 973 "15N chemical shifts" 243 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-02-18 update BMRB 'update entry citation' 2018-11-28 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 27588 'E.coli asparaginase (ANSII) by solution NMR' 27589 'crystalline E.coli asparaginase II (ANSII) by solid-state NMR' stop_ _Original_release_date 2018-08-24 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Characterization of PEGylated asparaginase: new opportunities from NMR analysis of large pegylated therapeutics ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30462348 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cerofolini Linda . . 2 Giuntini Stefano . . 3 Carlon Azzurra . . 4 Ravera Enrico . . 5 Calderone Vito . . 6 Fragai Marco . . 7 Parigi Giacomo . . 8 Luchinat Claudio . . stop_ _Journal_abbreviation Chemistry _Journal_name_full 'Chemistry (Weinheim an der Bergstrasse, Germany)' _Journal_volume 25 _Journal_issue 8 _Journal_ISSN 1521-3765 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1984 _Page_last 1991 _Year 2019 _Details . loop_ _Keyword 'Asparaginase II' NMR 'PEGylated protein therapeutics' 'stealth biologics' 'structural characterization' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'ANSII homotetramer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'ANSII, chain A' $ANSII 'ANSII, chain B' $ANSII 'ANSII, chain C' $ANSII 'ANSII, chain D' $ANSII stop_ _System_molecular_weight 138000 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details 'Homotetramer with D2 symmetry' save_ ######################## # Monomeric polymers # ######################## save_ANSII _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ANSII _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 326 _Mol_residue_sequence ; LPNITILATGGTIAGGGDSA TKSNYTVGKVGVENLVNAVP QLKDIANVKGEQVVNIGSQD MNDNVWLTLAKKINTDCDKT DGFVITHGTDTMEETAYFLD LTVKCDKPVVMVGAMRPSTS MSADGPFNLYNAVVTAADKA SANRGVLVVMNDTVLDGRDV TKTNTTDVATFKSVNYGPLG YIHNGKIDYQRTPARKHTSD TPFDVSKLNELPKVGIVYNY ANASDLPAKALVDAGYDGIV SAGVGNGNLYKSVFDTLATA AKTGTAVVRSSRVPTGATTQ DAEVDDAKYGFVASGTLNPQ KARVLLQLALTQTKDPQQIQ QIFNQY ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 23 LEU 2 24 PRO 3 25 ASN 4 26 ILE 5 27 THR 6 28 ILE 7 29 LEU 8 30 ALA 9 31 THR 10 32 GLY 11 33 GLY 12 34 THR 13 35 ILE 14 36 ALA 15 37 GLY 16 38 GLY 17 39 GLY 18 40 ASP 19 41 SER 20 42 ALA 21 43 THR 22 44 LYS 23 45 SER 24 46 ASN 25 47 TYR 26 48 THR 27 49 VAL 28 50 GLY 29 51 LYS 30 52 VAL 31 53 GLY 32 54 VAL 33 55 GLU 34 56 ASN 35 57 LEU 36 58 VAL 37 59 ASN 38 60 ALA 39 61 VAL 40 62 PRO 41 63 GLN 42 64 LEU 43 65 LYS 44 66 ASP 45 67 ILE 46 68 ALA 47 69 ASN 48 70 VAL 49 71 LYS 50 72 GLY 51 73 GLU 52 74 GLN 53 75 VAL 54 76 VAL 55 77 ASN 56 78 ILE 57 79 GLY 58 80 SER 59 81 GLN 60 82 ASP 61 83 MET 62 84 ASN 63 85 ASP 64 86 ASN 65 87 VAL 66 88 TRP 67 89 LEU 68 90 THR 69 91 LEU 70 92 ALA 71 93 LYS 72 94 LYS 73 95 ILE 74 96 ASN 75 97 THR 76 98 ASP 77 99 CYS 78 100 ASP 79 101 LYS 80 102 THR 81 103 ASP 82 104 GLY 83 105 PHE 84 106 VAL 85 107 ILE 86 108 THR 87 109 HIS 88 110 GLY 89 111 THR 90 112 ASP 91 113 THR 92 114 MET 93 115 GLU 94 116 GLU 95 117 THR 96 118 ALA 97 119 TYR 98 120 PHE 99 121 LEU 100 122 ASP 101 123 LEU 102 124 THR 103 125 VAL 104 126 LYS 105 127 CYS 106 128 ASP 107 129 LYS 108 130 PRO 109 131 VAL 110 132 VAL 111 133 MET 112 134 VAL 113 135 GLY 114 136 ALA 115 137 MET 116 138 ARG 117 139 PRO 118 140 SER 119 141 THR 120 142 SER 121 143 MET 122 144 SER 123 145 ALA 124 146 ASP 125 147 GLY 126 148 PRO 127 149 PHE 128 150 ASN 129 151 LEU 130 152 TYR 131 153 ASN 132 154 ALA 133 155 VAL 134 156 VAL 135 157 THR 136 158 ALA 137 159 ALA 138 160 ASP 139 161 LYS 140 162 ALA 141 163 SER 142 164 ALA 143 165 ASN 144 166 ARG 145 167 GLY 146 168 VAL 147 169 LEU 148 170 VAL 149 171 VAL 150 172 MET 151 173 ASN 152 174 ASP 153 175 THR 154 176 VAL 155 177 LEU 156 178 ASP 157 179 GLY 158 180 ARG 159 181 ASP 160 182 VAL 161 183 THR 162 184 LYS 163 185 THR 164 186 ASN 165 187 THR 166 188 THR 167 189 ASP 168 190 VAL 169 191 ALA 170 192 THR 171 193 PHE 172 194 LYS 173 195 SER 174 196 VAL 175 197 ASN 176 198 TYR 177 199 GLY 178 200 PRO 179 201 LEU 180 202 GLY 181 203 TYR 182 204 ILE 183 205 HIS 184 206 ASN 185 207 GLY 186 208 LYS 187 209 ILE 188 210 ASP 189 211 TYR 190 212 GLN 191 213 ARG 192 214 THR 193 215 PRO 194 216 ALA 195 217 ARG 196 218 LYS 197 219 HIS 198 220 THR 199 221 SER 200 222 ASP 201 223 THR 202 224 PRO 203 225 PHE 204 226 ASP 205 227 VAL 206 228 SER 207 229 LYS 208 230 LEU 209 231 ASN 210 232 GLU 211 233 LEU 212 234 PRO 213 235 LYS 214 236 VAL 215 237 GLY 216 238 ILE 217 239 VAL 218 240 TYR 219 241 ASN 220 242 TYR 221 243 ALA 222 244 ASN 223 245 ALA 224 246 SER 225 247 ASP 226 248 LEU 227 249 PRO 228 250 ALA 229 251 LYS 230 252 ALA 231 253 LEU 232 254 VAL 233 255 ASP 234 256 ALA 235 257 GLY 236 258 TYR 237 259 ASP 238 260 GLY 239 261 ILE 240 262 VAL 241 263 SER 242 264 ALA 243 265 GLY 244 266 VAL 245 267 GLY 246 268 ASN 247 269 GLY 248 270 ASN 249 271 LEU 250 272 TYR 251 273 LYS 252 274 SER 253 275 VAL 254 276 PHE 255 277 ASP 256 278 THR 257 279 LEU 258 280 ALA 259 281 THR 260 282 ALA 261 283 ALA 262 284 LYS 263 285 THR 264 286 GLY 265 287 THR 266 288 ALA 267 289 VAL 268 290 VAL 269 291 ARG 270 292 SER 271 293 SER 272 294 ARG 273 295 VAL 274 296 PRO 275 297 THR 276 298 GLY 277 299 ALA 278 300 THR 279 301 THR 280 302 GLN 281 303 ASP 282 304 ALA 283 305 GLU 284 306 VAL 285 307 ASP 286 308 ASP 287 309 ALA 288 310 LYS 289 311 TYR 290 312 GLY 291 313 PHE 292 314 VAL 293 315 ALA 294 316 SER 295 317 GLY 296 318 THR 297 319 LEU 298 320 ASN 299 321 PRO 300 322 GLN 301 323 LYS 302 324 ALA 303 325 ARG 304 326 VAL 305 327 LEU 306 328 LEU 307 329 GLN 308 330 LEU 309 331 ALA 310 332 LEU 311 333 THR 312 334 GLN 313 335 THR 314 336 LYS 315 337 ASP 316 338 PRO 317 339 GLN 318 340 GLN 319 341 ILE 320 342 GLN 321 343 GLN 322 344 ILE 323 345 PHE 324 346 ASN 325 347 GLN 326 348 TYR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $ANSII 'E. coli' 562 Bacteria . Escherichia coli 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 $ANSII 'recombinant technology' . Escherichia coli . pET-21a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solid _Details 'Pegylated freeze-dried preparation of ANSII' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ANSII 2 mg '[U-100% 2H; U-100% 13C; U-100% 15N]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solid _Details 'Pegylated freeze-dried preparation of ANSII' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ANSII 25 mg '[U-100% 2H; Lys U-100% 1H, U-100% 13C, U-100% 15N]' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solid _Details 'Pegylated freeze-dried preparation of ANSII' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $ANSII 25 mg 20 30 '[U-100% 13C, U-100% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AvanceII wide-bore' _Field_strength 850 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AvanceIII narrow-bore' _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_CP-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N CP-HSQC' _Sample_label $sample_1 save_ save_3D_(H)CANH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CANH' _Sample_label $sample_1 save_ save_2D_13C-15N_NCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C-15N NCA' _Sample_label $sample_2 save_ save_2D_13C-13C_DARR_(100_ms)_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C-13C DARR (100 ms)' _Sample_label $sample_2 save_ save_3D_NCACX_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NCACX' _Sample_label $sample_2 save_ save_2D_13C-15N_NCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C-15N NCA' _Sample_label $sample_3 save_ save_2D_13C-13C_DARR_(50,_100,_200,_300,_400,_800,_1000_ms)_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C-13C DARR (50, 100, 200, 300, 400, 800, 1000 ms)' _Sample_label $sample_3 save_ save_2D_13C-15N_NCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C-15N NCO' _Sample_label $sample_3 save_ save_3D_NCACX_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NCACX' _Sample_label $sample_3 save_ save_3D_CANCO_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CANCO' _Sample_label $sample_3 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 . M pH 7.5 . pH pressure 1 . atm temperature 285 5 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 external indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 external direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 external 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 CP-HSQC' '3D (H)CANH' '2D 13C-15N NCA' '2D 13C-13C DARR (100 ms)' '3D NCACX' '2D 13C-13C DARR (50, 100, 200, 300, 400, 800, 1000 ms)' '2D 13C-15N NCO' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'ANSII, chain A' _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 24 2 PRO C C 174.030 0.3 1 2 24 2 PRO CA C 62.014 0.3 1 3 24 2 PRO CB C 31.904 0.3 1 4 24 2 PRO CG C 27.425 0.3 1 5 24 2 PRO CD C 54.774 0.3 1 6 24 2 PRO N N 133.308 0.3 1 7 25 3 ASN H H 9.782 0.020 1 8 25 3 ASN C C 172.705 0.3 1 9 25 3 ASN CA C 51.989 0.3 1 10 25 3 ASN CB C 39.014 0.3 1 11 25 3 ASN N N 123.058 0.3 1 12 26 4 ILE H H 8.188 0.020 1 13 26 4 ILE C C 174.102 0.3 1 14 26 4 ILE CA C 55.608 0.3 1 15 26 4 ILE CB C 38.631 0.3 1 16 26 4 ILE CG1 C 26.529 0.3 1 17 26 4 ILE CG2 C 16.612 0.3 1 18 26 4 ILE CD1 C 8.505 0.3 1 19 26 4 ILE N N 124.267 0.3 1 20 28 6 ILE H H 9.388 0.020 1 21 28 6 ILE C C 174.362 0.3 1 22 28 6 ILE CA C 59.033 0.3 1 23 28 6 ILE CB C 37.937 0.3 1 24 28 6 ILE CG1 C 27.081 0.3 1 25 28 6 ILE CG2 C 16.191 0.3 1 26 28 6 ILE CD1 C 13.280 0.3 1 27 28 6 ILE N N 128.316 0.3 1 28 29 7 LEU H H 9.436 0.020 1 29 29 7 LEU C C 174.211 0.3 1 30 29 7 LEU CA C 53.176 0.3 1 31 29 7 LEU CB C 42.810 0.3 1 32 29 7 LEU CG C 26.988 0.3 1 33 29 7 LEU CD1 C 25.883 0.3 1 34 29 7 LEU CD2 C 24.827 0.3 1 35 29 7 LEU N N 129.570 0.3 1 36 30 8 ALA H H 8.797 0.020 1 37 30 8 ALA C C 178.666 0.3 1 38 30 8 ALA CA C 50.637 0.3 1 39 30 8 ALA CB C 22.087 0.3 1 40 30 8 ALA N N 125.181 0.3 1 41 34 12 THR C C 170.157 0.3 1 42 34 12 THR CA C 62.209 0.3 1 43 34 12 THR CB C 71.231 0.3 1 44 34 12 THR CG2 C 21.168 0.3 1 45 34 12 THR N N 115.383 0.3 1 46 35 13 ILE H H 8.902 0.020 1 47 35 13 ILE C C 173.876 0.3 1 48 35 13 ILE CA C 59.504 0.3 1 49 35 13 ILE CB C 42.568 0.3 1 50 35 13 ILE CG1 C 27.107 0.3 1 51 35 13 ILE CG2 C 16.451 0.3 1 52 35 13 ILE CD1 C 14.358 0.3 1 53 35 13 ILE N N 121.468 0.3 1 54 57 35 LEU H H 7.544 0.020 1 55 57 35 LEU C C 177.058 0.3 1 56 57 35 LEU CA C 57.687 0.3 1 57 57 35 LEU CB C 40.499 0.3 1 58 57 35 LEU CG C 26.735 0.3 1 59 57 35 LEU CD1 C 26.194 0.3 1 60 57 35 LEU CD2 C 22.668 0.3 1 61 57 35 LEU N N 122.372 0.3 1 62 58 36 VAL H H 7.603 0.020 1 63 58 36 VAL C C 177.621 0.3 1 64 58 36 VAL CA C 63.474 0.3 1 65 58 36 VAL CB C 30.994 0.3 1 66 58 36 VAL CG1 C 23.107 0.3 1 67 58 36 VAL CG2 C 21.380 0.3 1 68 58 36 VAL N N 113.243 0.3 1 69 59 37 ASN H H 7.640 0.020 1 70 59 37 ASN C C 177.477 0.3 1 71 59 37 ASN CA C 56.237 0.3 1 72 59 37 ASN CB C 38.829 0.3 1 73 59 37 ASN N N 116.930 0.3 1 74 60 38 ALA H H 7.404 0.020 1 75 60 38 ALA C C 179.150 0.3 1 76 60 38 ALA CA C 54.329 0.3 1 77 60 38 ALA CB C 17.267 0.3 1 78 60 38 ALA N N 120.424 0.3 1 79 61 39 VAL H H 7.386 0.020 1 80 61 39 VAL C C 176.885 0.3 1 81 61 39 VAL CA C 58.053 0.3 1 82 61 39 VAL CB C 31.785 0.3 1 83 61 39 VAL CG1 C 24.950 0.3 1 84 61 39 VAL CG2 C 22.902 0.3 1 85 61 39 VAL N N 117.456 0.3 1 86 62 40 PRO C C 178.232 0.3 1 87 62 40 PRO CA C 64.421 0.3 1 88 62 40 PRO CB C 32.313 0.3 1 89 62 40 PRO CG C 27.130 0.3 1 90 62 40 PRO CD C 49.711 0.3 1 91 62 40 PRO N N 136.329 0.3 1 92 63 41 GLN H H 9.286 0.020 1 93 63 41 GLN C C 177.816 0.3 1 94 63 41 GLN CA C 58.831 0.3 1 95 63 41 GLN CB C 27.438 0.3 1 96 63 41 GLN CG C 34.221 0.3 1 97 63 41 GLN CD C 180.716 0.3 1 98 63 41 GLN N N 118.975 0.3 1 99 64 42 LEU H H 8.299 0.020 1 100 64 42 LEU C C 177.811 0.3 1 101 64 42 LEU CA C 58.008 0.3 1 102 64 42 LEU CB C 41.966 0.3 1 103 64 42 LEU CG C 26.610 0.3 1 104 64 42 LEU CD1 C 24.503 0.3 1 105 64 42 LEU CD2 C 22.758 0.3 1 106 64 42 LEU N N 117.839 0.3 1 107 65 43 LYS H H 7.423 0.020 1 108 65 43 LYS C C 176.537 0.3 1 109 65 43 LYS CA C 57.440 0.3 1 110 65 43 LYS CB C 31.693 0.3 1 111 65 43 LYS CG C 24.575 0.3 1 112 65 43 LYS CD C 29.043 0.3 1 113 65 43 LYS CE C 41.407 0.3 1 114 65 43 LYS N N 114.537 0.3 1 115 66 44 ASP H H 7.152 0.020 1 116 66 44 ASP C C 175.509 0.3 1 117 66 44 ASP CA C 55.022 0.3 1 118 66 44 ASP CB C 40.820 0.3 1 119 66 44 ASP N N 114.946 0.3 1 120 67 45 ILE H H 7.497 0.020 1 121 67 45 ILE C C 174.043 0.3 1 122 67 45 ILE CA C 59.836 0.3 1 123 67 45 ILE CB C 39.904 0.3 1 124 67 45 ILE CG1 C 27.401 0.3 1 125 67 45 ILE CG2 C 17.799 0.3 1 126 67 45 ILE CD1 C 15.092 0.3 1 127 67 45 ILE N N 112.976 0.3 1 128 68 46 ALA H H 7.921 0.020 1 129 68 46 ALA C C 174.051 0.3 1 130 68 46 ALA CA C 50.837 0.3 1 131 68 46 ALA CB C 21.872 0.3 1 132 68 46 ALA N N 119.473 0.3 1 133 69 47 ASN H H 8.751 0.020 1 134 69 47 ASN C C 174.515 0.3 1 135 69 47 ASN CA C 51.887 0.3 1 136 69 47 ASN CB C 38.024 0.3 1 137 69 47 ASN N N 118.351 0.3 1 138 70 48 VAL H H 8.516 0.020 1 139 70 48 VAL C C 172.765 0.3 1 140 70 48 VAL CA C 60.874 0.3 1 141 70 48 VAL CB C 32.901 0.3 1 142 70 48 VAL CG1 C 21.231 0.3 1 143 70 48 VAL CG2 C 21.145 0.3 1 144 70 48 VAL N N 124.927 0.3 1 145 71 49 LYS H H 8.270 0.020 1 146 71 49 LYS C C 174.406 0.3 1 147 71 49 LYS CA C 54.311 0.3 1 148 71 49 LYS CB C 35.245 0.3 1 149 71 49 LYS CG C 24.127 0.3 1 150 71 49 LYS CD C 28.910 0.3 1 151 71 49 LYS CE C 42.310 0.3 1 152 71 49 LYS N N 126.677 0.3 1 153 72 50 GLY H H 8.714 0.020 1 154 72 50 GLY C C 171.983 0.3 1 155 72 50 GLY CA C 44.899 0.3 1 156 72 50 GLY N N 109.508 0.3 1 157 73 51 GLU H H 8.941 0.020 1 158 73 51 GLU C C 173.979 0.3 1 159 73 51 GLU CA C 54.901 0.3 1 160 73 51 GLU CB C 33.031 0.3 1 161 73 51 GLU CG C 34.404 0.3 1 162 73 51 GLU N N 120.741 0.3 1 163 74 52 GLN C C 174.318 0.3 1 164 74 52 GLN CA C 54.950 0.3 1 165 74 52 GLN CB C 25.707 0.3 1 166 74 52 GLN CG C 31.671 0.3 1 167 74 52 GLN N N 126.838 0.3 1 168 75 53 VAL H H 8.734 0.020 1 169 75 53 VAL C C 174.827 0.3 1 170 75 53 VAL CA C 64.631 0.3 1 171 75 53 VAL CB C 32.793 0.3 1 172 75 53 VAL CG1 C 26.286 0.3 1 173 75 53 VAL CG2 C 23.165 0.3 1 174 75 53 VAL N N 129.031 0.3 1 175 76 54 VAL H H 7.610 0.020 1 176 76 54 VAL C C 173.021 0.3 1 177 76 54 VAL CA C 58.752 0.3 1 178 76 54 VAL CB C 35.654 0.3 1 179 76 54 VAL CG1 C 21.537 0.3 1 180 76 54 VAL CG2 C 21.272 0.3 1 181 76 54 VAL N N 110.323 0.3 1 182 77 55 ASN C C 176.853 0.3 1 183 77 55 ASN CA C 52.058 0.3 1 184 77 55 ASN CB C 38.958 0.3 1 185 77 55 ASN N N 121.874 0.3 1 186 78 56 ILE H H 8.848 0.020 1 187 78 56 ILE C C 176.743 0.3 1 188 78 56 ILE CA C 63.863 0.3 1 189 78 56 ILE CB C 37.103 0.3 1 190 78 56 ILE CG1 C 28.674 0.3 1 191 78 56 ILE CG2 C 16.912 0.3 1 192 78 56 ILE CD1 C 14.614 0.3 1 193 78 56 ILE N N 120.217 0.3 1 194 81 59 GLN H H 10.015 0.020 1 195 81 59 GLN C C 173.407 0.3 1 196 81 59 GLN CA C 57.710 0.3 1 197 81 59 GLN CB C 25.185 0.3 1 198 81 59 GLN CG C 31.475 0.3 1 199 81 59 GLN N N 128.593 0.3 1 200 82 60 ASP H H 7.655 0.020 1 201 82 60 ASP C C 174.789 0.3 1 202 82 60 ASP CA C 53.834 0.3 1 203 82 60 ASP CB C 40.352 0.3 1 204 82 60 ASP N N 119.680 0.3 1 205 83 61 MET H H 7.214 0.020 1 206 83 61 MET C C 172.055 0.3 1 207 83 61 MET CA C 54.361 0.3 1 208 83 61 MET CB C 29.837 0.3 1 209 83 61 MET CG C 30.330 0.3 1 210 83 61 MET CE C 17.909 0.3 1 211 83 61 MET N N 120.333 0.3 1 212 84 62 ASN H H 6.401 0.020 1 213 84 62 ASN C C 172.968 0.3 1 214 84 62 ASN CA C 51.751 0.3 1 215 84 62 ASN CB C 40.728 0.3 1 216 84 62 ASN CG C 176.190 0.3 1 217 84 62 ASN N N 113.528 0.3 1 218 85 63 ASP H H 8.708 0.020 1 219 85 63 ASP C C 177.063 0.3 1 220 85 63 ASP CA C 55.784 0.3 1 221 85 63 ASP CB C 40.903 0.3 1 222 85 63 ASP CG C 175.232 0.3 1 223 85 63 ASP N N 117.671 0.3 1 224 86 64 ASN H H 7.945 0.020 1 225 86 64 ASN C C 178.414 0.3 1 226 86 64 ASN CA C 56.137 0.3 1 227 86 64 ASN CB C 37.880 0.3 1 228 86 64 ASN N N 115.673 0.3 1 229 87 65 VAL H H 7.505 0.020 1 230 87 65 VAL C C 177.108 0.3 1 231 87 65 VAL CA C 66.049 0.3 1 232 87 65 VAL CB C 31.130 0.3 1 233 87 65 VAL CG1 C 22.417 0.3 1 234 87 65 VAL CG2 C 22.191 0.3 1 235 87 65 VAL N N 122.512 0.3 1 236 88 66 TRP H H 7.271 0.020 1 237 88 66 TRP C C 176.830 0.3 1 238 88 66 TRP CA C 58.662 0.3 1 239 88 66 TRP CB C 26.283 0.3 1 240 88 66 TRP CD1 C 130.455 0.3 1 241 88 66 TRP CD2 C 131.331 0.3 1 242 88 66 TRP CE2 C 138.620 0.3 1 243 88 66 TRP CE3 C 127.115 0.3 1 244 88 66 TRP CZ3 C 128.909 0.3 1 245 88 66 TRP CH2 C 129.519 0.3 1 246 88 66 TRP N N 121.554 0.3 1 247 89 67 LEU H H 8.167 0.020 1 248 89 67 LEU C C 177.989 0.3 1 249 89 67 LEU CA C 58.235 0.3 1 250 89 67 LEU CB C 41.856 0.3 1 251 89 67 LEU CG C 26.562 0.3 1 252 89 67 LEU CD1 C 24.665 0.3 1 253 89 67 LEU CD2 C 22.712 0.3 1 254 89 67 LEU N N 117.827 0.3 1 255 90 68 THR H H 7.758 0.020 1 256 90 68 THR C C 177.068 0.3 1 257 90 68 THR CA C 66.955 0.3 1 258 90 68 THR CB C 67.975 0.3 1 259 90 68 THR CG2 C 21.128 0.3 1 260 90 68 THR N N 115.393 0.3 1 261 91 69 LEU H H 6.987 0.020 1 262 91 69 LEU C C 174.142 0.3 1 263 91 69 LEU CA C 54.586 0.3 1 264 91 69 LEU CB C 41.073 0.3 1 265 91 69 LEU N N 120.441 0.3 1 266 92 70 ALA H H 7.344 0.020 1 267 92 70 ALA C C 177.939 0.3 1 268 92 70 ALA CA C 53.869 0.3 1 269 92 70 ALA CB C 18.041 0.3 1 270 92 70 ALA N N 125.142 0.3 1 271 93 71 LYS H H 7.795 0.020 1 272 93 71 LYS C C 179.064 0.3 1 273 93 71 LYS CA C 58.911 0.3 1 274 93 71 LYS CB C 32.637 0.3 1 275 93 71 LYS CG C 26.210 0.3 1 276 93 71 LYS CD C 29.740 0.3 1 277 93 71 LYS CE C 42.738 0.3 1 278 93 71 LYS N N 114.518 0.3 1 279 93 71 LYS NZ N 119.425 0.3 1 280 94 72 LYS C C 176.707 0.3 1 281 94 72 LYS CA C 57.994 0.3 1 282 94 72 LYS CB C 31.829 0.3 1 283 94 72 LYS CG C 24.837 0.3 1 284 94 72 LYS CD C 28.096 0.3 1 285 94 72 LYS CE C 42.088 0.3 1 286 94 72 LYS N N 122.395 0.3 1 287 94 72 LYS NZ N 120.786 0.3 1 288 95 73 ILE H H 8.630 0.020 1 289 95 73 ILE C C 176.570 0.3 1 290 95 73 ILE CA C 57.777 0.3 1 291 95 73 ILE CB C 39.706 0.3 1 292 95 73 ILE CG1 C 27.255 0.3 1 293 95 73 ILE CG2 C 17.425 0.3 1 294 95 73 ILE CD1 C 14.928 0.3 1 295 95 73 ILE N N 126.470 0.3 1 296 96 74 ASN H H 7.930 0.020 1 297 96 74 ASN C C 178.234 0.3 1 298 96 74 ASN CA C 55.253 0.3 1 299 96 74 ASN CB C 36.783 0.3 1 300 96 74 ASN CG C 175.401 0.3 1 301 96 74 ASN N N 115.973 0.3 1 302 97 75 THR H H 8.250 0.020 1 303 97 75 THR C C 175.579 0.3 1 304 97 75 THR CA C 65.866 0.3 1 305 97 75 THR CB C 68.512 0.3 1 306 97 75 THR CG2 C 22.205 0.3 1 307 97 75 THR N N 117.073 0.3 1 308 98 76 ASP H H 8.198 0.020 1 309 98 76 ASP C C 176.447 0.3 1 310 98 76 ASP CA C 54.468 0.3 1 311 98 76 ASP CB C 39.138 0.3 1 312 98 76 ASP N N 121.263 0.3 1 313 99 77 CYS H H 7.434 0.020 1 314 99 77 CYS C C 173.805 0.3 1 315 99 77 CYS CA C 59.489 0.3 1 316 99 77 CYS CB C 39.115 0.3 1 317 99 77 CYS N N 120.593 0.3 1 318 100 78 ASP H H 8.538 0.020 1 319 100 78 ASP C C 175.739 0.3 1 320 100 78 ASP CA C 54.803 0.3 1 321 100 78 ASP CB C 39.828 0.3 1 322 100 78 ASP CG C 179.522 0.3 1 323 100 78 ASP N N 113.027 0.3 1 324 101 79 LYS H H 7.972 0.020 1 325 101 79 LYS C C 174.262 0.3 1 326 101 79 LYS CA C 55.306 0.3 1 327 101 79 LYS CB C 32.826 0.3 1 328 101 79 LYS CG C 24.275 0.3 1 329 101 79 LYS CD C 28.760 0.3 1 330 101 79 LYS CE C 41.777 0.3 1 331 101 79 LYS N N 117.303 0.3 1 332 102 80 THR H H 7.259 0.020 1 333 102 80 THR C C 170.141 0.3 1 334 102 80 THR CA C 58.963 0.3 1 335 102 80 THR CB C 69.262 0.3 1 336 102 80 THR CG2 C 18.502 0.3 1 337 102 80 THR N N 115.256 0.3 1 338 103 81 ASP H H 8.500 0.020 1 339 103 81 ASP C C 176.157 0.3 1 340 103 81 ASP CA C 55.225 0.3 1 341 103 81 ASP CB C 40.772 0.3 1 342 103 81 ASP CG C 180.147 0.3 1 343 103 81 ASP N N 118.896 0.3 1 344 104 82 GLY H H 7.650 0.020 1 345 104 82 GLY C C 168.877 0.3 1 346 104 82 GLY CA C 44.987 0.3 1 347 104 82 GLY N N 108.575 0.3 1 348 105 83 PHE H H 7.265 0.020 1 349 105 83 PHE C C 175.061 0.3 1 350 105 83 PHE CA C 56.987 0.3 1 351 105 83 PHE CB C 40.972 0.3 1 352 105 83 PHE N N 117.089 0.3 1 353 106 84 VAL H H 8.286 0.020 1 354 106 84 VAL C C 175.980 0.3 1 355 106 84 VAL CA C 59.661 0.3 1 356 106 84 VAL CB C 39.000 0.3 1 357 106 84 VAL N N 121.575 0.3 1 358 107 85 ILE H H 8.957 0.020 1 359 107 85 ILE C C 175.931 0.3 1 360 107 85 ILE CA C 55.181 0.3 1 361 107 85 ILE CB C 40.808 0.3 1 362 107 85 ILE CG1 C 26.853 0.3 1 363 107 85 ILE CG2 C 19.922 0.3 1 364 107 85 ILE CD1 C 15.267 0.3 1 365 107 85 ILE N N 126.020 0.3 1 366 109 87 HIS H H 9.012 0.020 1 367 109 87 HIS C C 174.807 0.3 1 368 109 87 HIS CA C 54.963 0.3 1 369 109 87 HIS CB C 33.908 0.3 1 370 109 87 HIS N N 129.361 0.3 1 371 110 88 GLY H H 8.301 0.020 1 372 110 88 GLY C C 174.107 0.3 1 373 110 88 GLY CA C 45.664 0.3 1 374 110 88 GLY N N 111.226 0.3 1 375 114 92 MET H H 7.294 0.020 1 376 114 92 MET C C 175.898 0.3 1 377 114 92 MET CA C 59.451 0.3 1 378 114 92 MET CB C 33.618 0.3 1 379 114 92 MET CG C 28.977 0.3 1 380 114 92 MET N N 126.182 0.3 1 381 115 93 GLU H H 9.804 0.020 1 382 115 93 GLU C C 175.398 0.3 1 383 115 93 GLU CA C 57.267 0.3 1 384 115 93 GLU CB C 30.332 0.3 1 385 115 93 GLU CG C 38.363 0.3 1 386 115 93 GLU CD C 184.079 0.3 1 387 115 93 GLU N N 113.488 0.3 1 388 116 94 GLU C C 175.042 0.3 1 389 116 94 GLU CA C 58.574 0.3 1 390 116 94 GLU CB C 30.368 0.3 1 391 116 94 GLU CG C 39.845 0.3 1 392 116 94 GLU N N 123.026 0.3 1 393 117 95 THR H H 7.712 0.020 1 394 117 95 THR C C 175.085 0.3 1 395 117 95 THR CA C 64.592 0.3 1 396 117 95 THR CB C 66.941 0.3 1 397 117 95 THR CG2 C 23.067 0.3 1 398 117 95 THR N N 116.051 0.3 1 399 126 104 LYS H H 9.234 0.020 1 400 126 104 LYS C C 174.711 0.3 1 401 126 104 LYS CA C 51.702 0.3 1 402 126 104 LYS CB C 30.183 0.3 1 403 126 104 LYS CG C 23.396 0.3 1 404 126 104 LYS CD C 27.366 0.3 1 405 126 104 LYS CE C 43.392 0.3 1 406 126 104 LYS N N 124.532 0.3 1 407 126 104 LYS NZ N 121.909 0.3 1 408 127 105 CYS C C 174.564 0.3 1 409 127 105 CYS CA C 53.517 0.3 1 410 127 105 CYS CB C 38.493 0.3 1 411 127 105 CYS N N 117.852 0.3 1 412 128 106 ASP H H 8.874 0.020 1 413 128 106 ASP C C 174.375 0.3 1 414 128 106 ASP CA C 54.590 0.3 1 415 128 106 ASP CB C 41.630 0.3 1 416 128 106 ASP N N 127.626 0.3 1 417 129 107 LYS C C 175.870 0.3 1 418 129 107 LYS CA C 54.516 0.3 1 419 129 107 LYS CB C 32.060 0.3 1 420 129 107 LYS CG C 24.647 0.3 1 421 129 107 LYS CD C 28.398 0.3 1 422 129 107 LYS CE C 41.558 0.3 1 423 129 107 LYS N N 119.925 0.3 1 424 130 108 PRO C C 174.946 0.3 1 425 130 108 PRO CA C 62.222 0.3 1 426 130 108 PRO CB C 32.820 0.3 1 427 130 108 PRO CG C 26.044 0.3 1 428 130 108 PRO CD C 49.043 0.3 1 429 130 108 PRO N N 131.846 0.3 1 430 131 109 VAL H H 8.089 0.020 1 431 131 109 VAL C C 171.795 0.3 1 432 131 109 VAL CA C 58.059 0.3 1 433 131 109 VAL CB C 33.119 0.3 1 434 131 109 VAL CG1 C 21.373 0.3 1 435 131 109 VAL CG2 C 17.401 0.3 1 436 131 109 VAL N N 116.536 0.3 1 437 132 110 VAL C C 174.267 0.3 1 438 132 110 VAL CA C 59.070 0.3 1 439 132 110 VAL CB C 30.272 0.3 1 440 132 110 VAL CG1 C 22.393 0.3 1 441 132 110 VAL CG2 C 21.199 0.3 1 442 132 110 VAL N N 128.093 0.3 1 443 134 112 VAL C C 169.742 0.3 1 444 134 112 VAL CA C 60.223 0.3 1 445 134 112 VAL CB C 34.554 0.3 1 446 134 112 VAL CG1 C 22.144 0.3 1 447 134 112 VAL CG2 C 19.703 0.3 1 448 134 112 VAL N N 119.820 0.3 1 449 135 113 GLY H H 8.782 0.020 1 450 135 113 GLY C C 169.845 0.3 1 451 135 113 GLY CA C 44.852 0.3 1 452 135 113 GLY N N 112.581 0.3 1 453 136 114 ALA H H 8.842 0.020 1 454 136 114 ALA C C 175.645 0.3 1 455 136 114 ALA CA C 51.266 0.3 1 456 136 114 ALA CB C 22.372 0.3 1 457 136 114 ALA N N 122.556 0.3 1 458 137 115 MET H H 11.539 0.020 1 459 137 115 MET C C 177.131 0.3 1 460 137 115 MET CA C 53.944 0.3 1 461 137 115 MET CB C 31.117 0.3 1 462 137 115 MET CG C 29.703 0.3 1 463 137 115 MET N N 125.065 0.3 1 464 138 116 ARG H H 9.903 0.020 1 465 138 116 ARG C C 173.187 0.3 1 466 138 116 ARG CA C 52.640 0.3 1 467 138 116 ARG CB C 31.021 0.3 1 468 138 116 ARG N N 124.880 0.3 1 469 155 133 VAL C C 173.309 0.3 1 470 155 133 VAL CA C 61.687 0.3 1 471 155 133 VAL CB C 33.054 0.3 1 472 155 133 VAL CG1 C 21.846 0.3 1 473 155 133 VAL CG2 C 20.694 0.3 1 474 155 133 VAL N N 124.292 0.3 1 475 156 134 VAL C C 174.104 0.3 1 476 156 134 VAL CA C 59.574 0.3 1 477 156 134 VAL CB C 34.528 0.3 1 478 156 134 VAL CG1 C 22.325 0.3 1 479 156 134 VAL CG2 C 20.436 0.3 1 480 156 134 VAL N N 126.906 0.3 1 481 157 135 THR H H 7.946 0.020 1 482 157 135 THR C C 173.997 0.3 1 483 157 135 THR CA C 62.608 0.3 1 484 157 135 THR CB C 71.490 0.3 1 485 157 135 THR CG2 C 21.166 0.3 1 486 157 135 THR N N 108.552 0.3 1 487 159 137 ALA H H 9.046 0.020 1 488 159 137 ALA C C 175.500 0.3 1 489 159 137 ALA CA C 51.563 0.3 1 490 159 137 ALA CB C 22.454 0.3 1 491 159 137 ALA N N 122.952 0.3 1 492 160 138 ASP H H 7.155 0.020 1 493 160 138 ASP C C 177.943 0.3 1 494 160 138 ASP CA C 53.469 0.3 1 495 160 138 ASP CB C 41.502 0.3 1 496 160 138 ASP N N 122.275 0.3 1 497 161 139 LYS H H 8.903 0.020 1 498 161 139 LYS C C 179.040 0.3 1 499 161 139 LYS CA C 58.434 0.3 1 500 161 139 LYS CB C 31.604 0.3 1 501 161 139 LYS CG C 24.752 0.3 1 502 161 139 LYS CD C 28.231 0.3 1 503 161 139 LYS CE C 41.996 0.3 1 504 161 139 LYS N N 129.665 0.3 1 505 162 140 ALA H H 9.274 0.020 1 506 162 140 ALA C C 177.875 0.3 1 507 162 140 ALA CA C 52.973 0.3 1 508 162 140 ALA CB C 18.506 0.3 1 509 162 140 ALA N N 121.074 0.3 1 510 163 141 SER H H 8.216 0.020 1 511 163 141 SER C C 172.527 0.3 1 512 163 141 SER CA C 58.383 0.3 1 513 163 141 SER CB C 62.824 0.3 1 514 163 141 SER N N 114.203 0.3 1 515 164 142 ALA H H 7.026 0.020 1 516 164 142 ALA C C 175.321 0.3 1 517 164 142 ALA CA C 52.117 0.3 1 518 164 142 ALA CB C 19.021 0.3 1 519 164 142 ALA N N 121.328 0.3 1 520 165 143 ASN H H 8.765 0.020 1 521 165 143 ASN C C 174.606 0.3 1 522 165 143 ASN CA C 54.855 0.3 1 523 165 143 ASN CB C 37.160 0.3 1 524 165 143 ASN N N 113.543 0.3 1 525 166 144 ARG H H 7.879 0.020 1 526 166 144 ARG C C 173.662 0.3 1 527 166 144 ARG CA C 54.806 0.3 1 528 166 144 ARG CB C 31.515 0.3 1 529 166 144 ARG CD C 42.695 0.3 1 530 166 144 ARG N N 115.952 0.3 1 531 167 145 GLY H H 7.683 0.020 1 532 167 145 GLY C C 172.756 0.3 1 533 167 145 GLY CA C 42.772 0.3 1 534 167 145 GLY N N 107.679 0.3 1 535 168 146 VAL H H 7.570 0.020 1 536 168 146 VAL C C 175.031 0.3 1 537 168 146 VAL CA C 63.485 0.3 1 538 168 146 VAL CB C 31.545 0.3 1 539 168 146 VAL CG1 C 20.935 0.3 1 540 168 146 VAL CG2 C 20.190 0.3 1 541 168 146 VAL N N 119.802 0.3 1 542 169 147 LEU C C 175.073 0.3 1 543 169 147 LEU CA C 52.331 0.3 1 544 169 147 LEU CB C 44.819 0.3 1 545 169 147 LEU CG C 25.371 0.3 1 546 169 147 LEU CD1 C 24.694 0.3 1 547 169 147 LEU CD2 C 23.361 0.3 1 548 169 147 LEU N N 129.876 0.3 1 549 170 148 VAL H H 8.925 0.020 1 550 170 148 VAL C C 177.761 0.3 1 551 170 148 VAL CA C 65.212 0.3 1 552 170 148 VAL CB C 31.252 0.3 1 553 170 148 VAL CG1 C 22.336 0.3 1 554 170 148 VAL CG2 C 20.921 0.3 1 555 170 148 VAL N N 118.986 0.3 1 556 171 149 VAL C C 176.558 0.3 1 557 171 149 VAL CA C 66.511 0.3 1 558 171 149 VAL CB C 29.788 0.3 1 559 171 149 VAL CG1 C 23.056 0.3 1 560 171 149 VAL CG2 C 21.325 0.3 1 561 171 149 VAL N N 120.915 0.3 1 562 180 158 ARG H H 7.875 0.020 1 563 180 158 ARG C C 175.513 0.3 1 564 180 158 ARG CA C 58.723 0.3 1 565 180 158 ARG CB C 30.152 0.3 1 566 180 158 ARG CG C 25.949 0.3 1 567 180 158 ARG CD C 44.459 0.3 1 568 180 158 ARG N N 120.793 0.3 1 569 181 159 ASP H H 8.540 0.020 1 570 181 159 ASP C C 177.783 0.3 1 571 181 159 ASP CA C 55.189 0.3 1 572 181 159 ASP CB C 38.328 0.3 1 573 181 159 ASP N N 120.509 0.3 1 574 182 160 VAL H H 7.083 0.020 1 575 182 160 VAL C C 173.309 0.3 1 576 182 160 VAL CA C 61.412 0.3 1 577 182 160 VAL CB C 28.898 0.3 1 578 182 160 VAL CG1 C 24.616 0.3 1 579 182 160 VAL CG2 C 19.966 0.3 1 580 182 160 VAL N N 117.217 0.3 1 581 183 161 THR C C 169.309 0.3 1 582 183 161 THR CA C 59.943 0.3 1 583 183 161 THR CB C 68.568 0.3 1 584 183 161 THR CG2 C 19.613 0.3 1 585 183 161 THR N N 122.023 0.3 1 586 184 162 LYS H H 7.614 0.020 1 587 184 162 LYS C C 174.777 0.3 1 588 184 162 LYS CA C 56.409 0.3 1 589 184 162 LYS CB C 32.474 0.3 1 590 184 162 LYS CG C 26.575 0.3 1 591 184 162 LYS CD C 31.576 0.3 1 592 184 162 LYS CE C 42.937 0.3 1 593 184 162 LYS N N 129.027 0.3 1 594 184 162 LYS NZ N 119.778 0.3 1 595 185 163 THR H H 7.849 0.020 1 596 185 163 THR C C 175.309 0.3 1 597 185 163 THR CA C 63.581 0.3 1 598 185 163 THR CB C 70.423 0.3 1 599 185 163 THR CG2 C 23.698 0.3 1 600 185 163 THR N N 118.703 0.3 1 601 186 164 ASN H H 8.811 0.020 1 602 186 164 ASN C C 175.969 0.3 1 603 186 164 ASN CA C 52.002 0.3 1 604 186 164 ASN CB C 45.475 0.3 1 605 186 164 ASN N N 125.872 0.3 1 606 187 165 THR H H 7.459 0.020 1 607 187 165 THR C C 174.281 0.3 1 608 187 165 THR CA C 65.616 0.3 1 609 187 165 THR CB C 68.621 0.3 1 610 187 165 THR CG2 C 21.482 0.3 1 611 187 165 THR N N 117.357 0.3 1 612 188 166 THR H H 7.588 0.020 1 613 188 166 THR C C 173.994 0.3 1 614 188 166 THR CA C 62.534 0.3 1 615 188 166 THR CB C 70.987 0.3 1 616 188 166 THR CG2 C 20.660 0.3 1 617 188 166 THR N N 107.962 0.3 1 618 189 167 ASP H H 8.283 0.020 1 619 189 167 ASP C C 177.813 0.3 1 620 189 167 ASP CA C 53.762 0.3 1 621 189 167 ASP CB C 41.420 0.3 1 622 189 167 ASP N N 125.797 0.3 1 623 190 168 VAL H H 9.171 0.020 1 624 190 168 VAL C C 177.787 0.3 1 625 190 168 VAL CA C 64.518 0.3 1 626 190 168 VAL CB C 30.568 0.3 1 627 190 168 VAL CG1 C 20.736 0.3 1 628 190 168 VAL CG2 C 17.391 0.3 1 629 190 168 VAL N N 123.172 0.3 1 630 191 169 ALA H H 9.366 0.020 1 631 191 169 ALA C C 175.353 0.3 1 632 191 169 ALA CA C 51.214 0.3 1 633 191 169 ALA CB C 19.054 0.3 1 634 191 169 ALA N N 127.494 0.3 1 635 192 170 THR H H 7.109 0.020 1 636 192 170 THR C C 175.068 0.3 1 637 192 170 THR CA C 62.881 0.3 1 638 192 170 THR CB C 67.829 0.3 1 639 192 170 THR CG2 C 22.865 0.3 1 640 192 170 THR N N 112.145 0.3 1 641 193 171 PHE H H 9.318 0.020 1 642 193 171 PHE C C 174.301 0.3 1 643 193 171 PHE CA C 60.798 0.3 1 644 193 171 PHE CB C 37.293 0.3 1 645 193 171 PHE N N 124.901 0.3 1 646 194 172 LYS H H 8.456 0.020 1 647 194 172 LYS C C 174.912 0.3 1 648 194 172 LYS CA C 53.762 0.3 1 649 194 172 LYS CB C 37.745 0.3 1 650 194 172 LYS CG C 24.417 0.3 1 651 194 172 LYS CD C 28.704 0.3 1 652 194 172 LYS CE C 42.132 0.3 1 653 194 172 LYS N N 122.229 0.3 1 654 194 172 LYS NZ N 120.647 0.3 1 655 195 173 SER H H 9.049 0.020 1 656 195 173 SER C C 177.087 0.3 1 657 195 173 SER CA C 57.590 0.3 1 658 195 173 SER CB C 62.249 0.3 1 659 195 173 SER N N 126.228 0.3 1 660 196 174 VAL H H 5.964 0.020 1 661 196 174 VAL C C 176.256 0.3 1 662 196 174 VAL CA C 63.422 0.3 1 663 196 174 VAL CB C 31.306 0.3 1 664 196 174 VAL CG1 C 22.667 0.3 1 665 196 174 VAL CG2 C 17.297 0.3 1 666 196 174 VAL N N 112.640 0.3 1 667 197 175 ASN H H 9.620 0.020 1 668 197 175 ASN C C 176.419 0.3 1 669 197 175 ASN CA C 55.136 0.3 1 670 197 175 ASN CB C 43.135 0.3 1 671 197 175 ASN N N 118.449 0.3 1 672 198 176 TYR H H 9.265 0.020 1 673 198 176 TYR C C 173.992 0.3 1 674 198 176 TYR CA C 58.523 0.3 1 675 198 176 TYR CB C 39.527 0.3 1 676 198 176 TYR N N 118.661 0.3 1 677 199 177 GLY H H 7.351 0.020 1 678 199 177 GLY C C 170.223 0.3 1 679 199 177 GLY CA C 45.031 0.3 1 680 199 177 GLY N N 106.198 0.3 1 681 203 181 TYR H H 9.329 0.020 1 682 203 181 TYR C C 175.045 0.3 1 683 203 181 TYR CA C 62.136 0.3 1 684 203 181 TYR CB C 36.746 0.3 1 685 203 181 TYR CG C 132.442 0.3 1 686 203 181 TYR CD1 C 131.853 0.3 1 687 203 181 TYR CD2 C 131.853 0.3 1 688 203 181 TYR CE1 C 118.038 0.3 1 689 203 181 TYR CE2 C 118.038 0.3 1 690 203 181 TYR N N 118.798 0.3 1 691 206 184 ASN C C 174.683 0.3 1 692 206 184 ASN CA C 53.604 0.3 1 693 206 184 ASN CB C 36.965 0.3 1 694 206 184 ASN N N 126.900 0.3 1 695 207 185 GLY H H 8.657 0.020 1 696 207 185 GLY C C 170.938 0.3 1 697 207 185 GLY CA C 45.296 0.3 1 698 207 185 GLY N N 102.464 0.3 1 699 208 186 LYS H H 7.521 0.020 1 700 208 186 LYS C C 174.905 0.3 1 701 208 186 LYS CA C 53.893 0.3 1 702 208 186 LYS CB C 34.501 0.3 1 703 208 186 LYS CG C 24.221 0.3 1 704 208 186 LYS CD C 28.454 0.3 1 705 208 186 LYS CE C 41.694 0.3 1 706 208 186 LYS N N 119.379 0.3 1 707 209 187 ILE H H 8.846 0.020 1 708 209 187 ILE C C 175.000 0.3 1 709 209 187 ILE CA C 58.672 0.3 1 710 209 187 ILE CB C 38.679 0.3 1 711 209 187 ILE CG1 C 23.063 0.3 1 712 209 187 ILE CG2 C 20.075 0.3 1 713 209 187 ILE N N 123.976 0.3 1 714 210 188 ASP H H 8.343 0.020 1 715 210 188 ASP C C 175.716 0.3 1 716 210 188 ASP CA C 51.691 0.3 1 717 210 188 ASP CB C 40.002 0.3 1 718 210 188 ASP N N 126.873 0.3 1 719 211 189 TYR H H 8.511 0.020 1 720 211 189 TYR C C 175.658 0.3 1 721 211 189 TYR CA C 58.400 0.3 1 722 211 189 TYR CB C 38.832 0.3 1 723 211 189 TYR N N 125.402 0.3 1 724 212 190 GLN H H 8.338 0.020 1 725 212 190 GLN C C 177.651 0.3 1 726 212 190 GLN CA C 58.632 0.3 1 727 212 190 GLN CB C 26.493 0.3 1 728 212 190 GLN CG C 38.405 0.3 1 729 212 190 GLN N N 120.506 0.3 1 730 213 191 ARG C C 178.030 0.3 1 731 213 191 ARG CA C 54.957 0.3 1 732 213 191 ARG CB C 27.607 0.3 1 733 213 191 ARG CG C 26.491 0.3 1 734 213 191 ARG CD C 43.359 0.3 1 735 213 191 ARG N N 120.624 0.3 1 736 214 192 THR H H 8.213 0.020 1 737 214 192 THR C C 170.740 0.3 1 738 214 192 THR CA C 58.973 0.3 1 739 214 192 THR CB C 72.298 0.3 1 740 214 192 THR CG2 C 20.511 0.3 1 741 214 192 THR N N 114.898 0.3 1 742 215 193 PRO C C 175.909 0.3 1 743 215 193 PRO CA C 63.244 0.3 1 744 215 193 PRO CB C 31.465 0.3 1 745 215 193 PRO CG C 28.177 0.3 1 746 215 193 PRO CD C 51.225 0.3 1 747 215 193 PRO N N 133.904 0.3 1 748 216 194 ALA H H 7.481 0.020 1 749 216 194 ALA C C 179.035 0.3 1 750 216 194 ALA CA C 52.859 0.3 1 751 216 194 ALA CB C 21.034 0.3 1 752 216 194 ALA N N 123.335 0.3 1 753 217 195 ARG H H 7.956 0.020 1 754 217 195 ARG C C 176.258 0.3 1 755 217 195 ARG CA C 55.102 0.3 1 756 217 195 ARG CB C 28.714 0.3 1 757 217 195 ARG CG C 25.840 0.3 1 758 217 195 ARG CD C 42.371 0.3 1 759 217 195 ARG N N 115.974 0.3 1 760 218 196 LYS H H 7.218 0.020 1 761 218 196 LYS C C 175.036 0.3 1 762 218 196 LYS CA C 57.039 0.3 1 763 218 196 LYS CB C 33.601 0.3 1 764 218 196 LYS CG C 25.556 0.3 1 765 218 196 LYS CD C 28.664 0.3 1 766 218 196 LYS CE C 41.647 0.3 1 767 218 196 LYS N N 121.505 0.3 1 768 219 197 HIS H H 7.839 0.020 1 769 219 197 HIS C C 175.480 0.3 1 770 219 197 HIS CA C 54.031 0.3 1 771 219 197 HIS CB C 32.330 0.3 1 772 219 197 HIS N N 115.936 0.3 1 773 220 198 THR H H 9.642 0.020 1 774 220 198 THR C C 177.238 0.3 1 775 220 198 THR CA C 62.630 0.3 1 776 220 198 THR CB C 71.444 0.3 1 777 220 198 THR CG2 C 22.093 0.3 1 778 220 198 THR N N 109.957 0.3 1 779 221 199 SER H H 8.431 0.020 1 780 221 199 SER C C 173.831 0.3 1 781 221 199 SER CA C 59.710 0.3 1 782 221 199 SER CB C 62.358 0.3 1 783 221 199 SER N N 118.876 0.3 1 784 222 200 ASP H H 8.754 0.020 1 785 222 200 ASP C C 174.987 0.3 1 786 222 200 ASP CA C 53.670 0.3 1 787 222 200 ASP CB C 41.020 0.3 1 788 222 200 ASP N N 120.884 0.3 1 789 223 201 THR H H 7.352 0.020 1 790 223 201 THR C C 172.509 0.3 1 791 223 201 THR CA C 57.453 0.3 1 792 223 201 THR CB C 66.701 0.3 1 793 223 201 THR CG2 C 20.396 0.3 1 794 223 201 THR N N 110.372 0.3 1 795 224 202 PRO C C 174.955 0.3 1 796 224 202 PRO CA C 61.593 0.3 1 797 224 202 PRO CB C 30.736 0.3 1 798 224 202 PRO CG C 24.653 0.3 1 799 224 202 PRO CD C 48.277 0.3 1 800 224 202 PRO N N 130.472 0.3 1 801 225 203 PHE H H 6.532 0.020 1 802 225 203 PHE C C 173.623 0.3 1 803 225 203 PHE CA C 56.503 0.3 1 804 225 203 PHE CB C 37.398 0.3 1 805 225 203 PHE N N 119.637 0.3 1 806 226 204 ASP H H 7.890 0.020 1 807 226 204 ASP C C 176.493 0.3 1 808 226 204 ASP CA C 52.254 0.3 1 809 226 204 ASP CB C 42.383 0.3 1 810 226 204 ASP N N 122.775 0.3 1 811 227 205 VAL H H 8.831 0.020 1 812 227 205 VAL C C 175.853 0.3 1 813 227 205 VAL CA C 59.481 0.3 1 814 227 205 VAL CB C 30.328 0.3 1 815 227 205 VAL CG1 C 21.186 0.3 1 816 227 205 VAL CG2 C 17.797 0.3 1 817 227 205 VAL N N 118.511 0.3 1 818 228 206 SER H H 8.251 0.020 1 819 228 206 SER C C 177.919 0.3 1 820 228 206 SER CA C 62.408 0.3 1 821 228 206 SER CB C 62.847 0.3 1 822 228 206 SER N N 117.901 0.3 1 823 234 212 PRO C C 174.078 0.3 1 824 234 212 PRO CA C 62.799 0.3 1 825 234 212 PRO CB C 32.438 0.3 1 826 234 212 PRO CG C 26.777 0.3 1 827 234 212 PRO CD C 50.734 0.3 1 828 234 212 PRO N N 132.913 0.3 1 829 235 213 LYS H H 9.066 0.020 1 830 235 213 LYS C C 175.791 0.3 1 831 235 213 LYS CA C 56.083 0.3 1 832 235 213 LYS CB C 31.552 0.3 1 833 235 213 LYS CG C 24.316 0.3 1 834 235 213 LYS CD C 28.745 0.3 1 835 235 213 LYS CE C 41.461 0.3 1 836 235 213 LYS N N 123.820 0.3 1 837 236 214 VAL H H 9.300 0.020 1 838 236 214 VAL C C 174.830 0.3 1 839 236 214 VAL CA C 59.886 0.3 1 840 236 214 VAL CB C 35.509 0.3 1 841 236 214 VAL CG1 C 23.432 0.3 1 842 236 214 VAL CG2 C 21.622 0.3 1 843 236 214 VAL N N 126.066 0.3 1 844 237 215 GLY H H 8.651 0.020 1 845 237 215 GLY C C 176.054 0.3 1 846 237 215 GLY CA C 45.978 0.3 1 847 237 215 GLY N N 116.532 0.3 1 848 238 216 ILE C C 174.828 0.3 1 849 238 216 ILE CA C 59.200 0.3 1 850 238 216 ILE CB C 40.500 0.3 1 851 238 216 ILE CG2 C 16.494 0.3 1 852 238 216 ILE CD1 C 12.310 0.3 1 853 238 216 ILE N N 117.014 0.3 1 854 241 219 ASN C C 171.247 0.3 1 855 241 219 ASN CA C 53.500 0.3 1 856 241 219 ASN CB C 42.677 0.3 1 857 241 219 ASN N N 120.426 0.3 1 858 242 220 TYR C C 171.795 0.3 1 859 242 220 TYR CA C 54.590 0.3 1 860 242 220 TYR CB C 34.784 0.3 1 861 242 220 TYR N N 114.407 0.3 1 862 243 221 ALA C C 173.663 0.3 1 863 243 221 ALA CA C 52.872 0.3 1 864 243 221 ALA CB C 18.860 0.3 1 865 243 221 ALA N N 127.978 0.3 1 866 244 222 ASN H H 7.868 0.020 1 867 244 222 ASN C C 175.482 0.3 1 868 244 222 ASN CA C 52.556 0.3 1 869 244 222 ASN CB C 43.083 0.3 1 870 244 222 ASN N N 117.913 0.3 1 871 245 223 ALA H H 5.426 0.020 1 872 245 223 ALA C C 175.538 0.3 1 873 245 223 ALA CA C 52.881 0.3 1 874 245 223 ALA CB C 17.344 0.3 1 875 245 223 ALA N N 119.707 0.3 1 876 248 226 LEU C C 172.796 0.3 1 877 248 226 LEU CA C 51.784 0.3 1 878 248 226 LEU CB C 39.124 0.3 1 879 248 226 LEU CG C 28.487 0.3 1 880 248 226 LEU CD1 C 26.904 0.3 1 881 248 226 LEU CD2 C 21.963 0.3 1 882 248 226 LEU N N 123.531 0.3 1 883 249 227 PRO C C 176.774 0.3 1 884 249 227 PRO CA C 66.785 0.3 1 885 249 227 PRO CB C 31.548 0.3 1 886 249 227 PRO CG C 28.387 0.3 1 887 249 227 PRO CD C 49.604 0.3 1 888 249 227 PRO N N 132.068 0.3 1 889 250 228 ALA H H 7.431 0.020 1 890 250 228 ALA C C 177.713 0.3 1 891 250 228 ALA CA C 54.893 0.3 1 892 250 228 ALA CB C 17.502 0.3 1 893 250 228 ALA N N 117.342 0.3 1 894 251 229 LYS H H 8.438 0.020 1 895 251 229 LYS C C 177.438 0.3 1 896 251 229 LYS CA C 59.196 0.3 1 897 251 229 LYS CB C 32.434 0.3 1 898 251 229 LYS CG C 26.010 0.3 1 899 251 229 LYS CD C 28.804 0.3 1 900 251 229 LYS CE C 41.601 0.3 1 901 251 229 LYS N N 117.675 0.3 1 902 252 230 ALA H H 8.433 0.020 1 903 252 230 ALA C C 178.261 0.3 1 904 252 230 ALA CA C 54.808 0.3 1 905 252 230 ALA CB C 18.212 0.3 1 906 252 230 ALA N N 118.977 0.3 1 907 253 231 LEU H H 10.346 0.020 1 908 253 231 LEU C C 178.266 0.3 1 909 253 231 LEU CA C 54.098 0.3 1 910 253 231 LEU CB C 38.562 0.3 1 911 253 231 LEU CG C 27.620 0.3 1 912 253 231 LEU CD1 C 26.560 0.3 1 913 253 231 LEU CD2 C 25.909 0.3 1 914 253 231 LEU N N 120.977 0.3 1 915 254 232 VAL C C 180.574 0.3 1 916 254 232 VAL CA C 65.475 0.3 1 917 254 232 VAL CB C 31.481 0.3 1 918 254 232 VAL CG1 C 22.724 0.3 1 919 254 232 VAL CG2 C 20.864 0.3 1 920 254 232 VAL N N 121.040 0.3 1 921 255 233 ASP H H 9.006 0.020 1 922 255 233 ASP C C 176.582 0.3 1 923 255 233 ASP CA C 56.619 0.3 1 924 255 233 ASP CB C 39.679 0.3 1 925 255 233 ASP N N 123.179 0.3 1 926 256 234 ALA H H 7.245 0.020 1 927 256 234 ALA C C 177.124 0.3 1 928 256 234 ALA CA C 51.470 0.3 1 929 256 234 ALA CB C 19.659 0.3 1 930 256 234 ALA N N 118.599 0.3 1 931 257 235 GLY H H 8.181 0.020 1 932 257 235 GLY C C 174.363 0.3 1 933 257 235 GLY CA C 45.625 0.3 1 934 257 235 GLY N N 107.920 0.3 1 935 258 236 TYR H H 7.793 0.020 1 936 258 236 TYR C C 174.636 0.3 1 937 258 236 TYR CA C 61.019 0.3 1 938 258 236 TYR CB C 35.874 0.3 1 939 258 236 TYR N N 120.638 0.3 1 940 259 237 ASP C C 176.609 0.3 1 941 259 237 ASP CA C 56.561 0.3 1 942 259 237 ASP CB C 42.696 0.3 1 943 259 237 ASP CG C 179.068 0.3 1 944 259 237 ASP N N 121.120 0.3 1 945 262 240 VAL C C 174.301 0.3 1 946 262 240 VAL CA C 61.875 0.3 1 947 262 240 VAL CB C 31.915 0.3 1 948 262 240 VAL CG1 C 23.165 0.3 1 949 262 240 VAL CG2 C 19.197 0.3 1 950 262 240 VAL N N 124.327 0.3 1 951 263 241 SER C C 174.086 0.3 1 952 263 241 SER CA C 54.441 0.3 1 953 263 241 SER CB C 62.203 0.3 1 954 263 241 SER N N 120.310 0.3 1 955 264 242 ALA C C 174.579 0.3 1 956 264 242 ALA CA C 49.550 0.3 1 957 264 242 ALA CB C 16.675 0.3 1 958 264 242 ALA N N 133.719 0.3 1 959 265 243 GLY H H 7.113 0.020 1 960 265 243 GLY C C 171.569 0.3 1 961 265 243 GLY CA C 44.512 0.3 1 962 265 243 GLY N N 111.462 0.3 1 963 266 244 VAL H H 8.379 0.020 1 964 266 244 VAL C C 175.427 0.3 1 965 266 244 VAL CA C 58.465 0.3 1 966 266 244 VAL CB C 32.037 0.3 1 967 266 244 VAL CG1 C 21.504 0.3 1 968 266 244 VAL CG2 C 18.252 0.3 1 969 266 244 VAL N N 110.395 0.3 1 970 267 245 GLY H H 9.255 0.020 1 971 267 245 GLY C C 174.142 0.3 1 972 267 245 GLY CA C 45.730 0.3 1 973 267 245 GLY N N 110.744 0.3 1 974 268 246 ASN H H 9.780 0.020 1 975 268 246 ASN C C 175.054 0.3 1 976 268 246 ASN CA C 50.673 0.3 1 977 268 246 ASN CB C 34.662 0.3 1 978 268 246 ASN N N 129.944 0.3 1 979 269 247 GLY H H 7.847 0.020 1 980 269 247 GLY C C 176.002 0.3 1 981 269 247 GLY CA C 46.354 0.3 1 982 269 247 GLY N N 105.507 0.3 1 983 270 248 ASN H H 8.954 0.020 1 984 270 248 ASN C C 173.463 0.3 1 985 270 248 ASN CA C 53.438 0.3 1 986 270 248 ASN CB C 40.279 0.3 1 987 270 248 ASN N N 123.030 0.3 1 988 271 249 LEU H H 8.544 0.020 1 989 271 249 LEU C C 174.756 0.3 1 990 271 249 LEU CA C 52.910 0.3 1 991 271 249 LEU CB C 45.136 0.3 1 992 271 249 LEU CG C 27.543 0.3 1 993 271 249 LEU CD1 C 26.948 0.3 1 994 271 249 LEU CD2 C 25.929 0.3 1 995 271 249 LEU N N 118.334 0.3 1 996 272 250 TYR H H 8.099 0.020 1 997 272 250 TYR C C 178.291 0.3 1 998 272 250 TYR CA C 58.767 0.3 1 999 272 250 TYR CB C 39.072 0.3 1 1000 272 250 TYR N N 124.053 0.3 1 1001 273 251 LYS H H 7.154 0.020 1 1002 273 251 LYS C C 175.835 0.3 1 1003 273 251 LYS CA C 59.746 0.3 1 1004 273 251 LYS CB C 31.592 0.3 1 1005 273 251 LYS CG C 23.410 0.3 1 1006 273 251 LYS CD C 27.807 0.3 1 1007 273 251 LYS CE C 41.745 0.3 1 1008 273 251 LYS N N 129.111 0.3 1 1009 274 252 SER H H 6.497 0.020 1 1010 274 252 SER C C 176.619 0.3 1 1011 274 252 SER CA C 60.975 0.3 1 1012 274 252 SER CB C 61.376 0.3 1 1013 274 252 SER N N 113.067 0.3 1 1014 275 253 VAL H H 7.371 0.020 1 1015 275 253 VAL C C 176.748 0.3 1 1016 275 253 VAL CA C 66.341 0.3 1 1017 275 253 VAL CB C 31.253 0.3 1 1018 275 253 VAL CG1 C 22.192 0.3 1 1019 275 253 VAL CG2 C 20.921 0.3 1 1020 275 253 VAL N N 126.149 0.3 1 1021 276 254 PHE H H 8.688 0.020 1 1022 276 254 PHE C C 177.422 0.3 1 1023 276 254 PHE CA C 60.184 0.3 1 1024 276 254 PHE CB C 37.568 0.3 1 1025 276 254 PHE N N 121.672 0.3 1 1026 277 255 ASP H H 8.499 0.020 1 1027 277 255 ASP C C 178.650 0.3 1 1028 277 255 ASP CA C 57.654 0.3 1 1029 277 255 ASP CB C 39.618 0.3 1 1030 277 255 ASP N N 118.589 0.3 1 1031 278 256 THR H H 7.447 0.020 1 1032 278 256 THR C C 176.039 0.3 1 1033 278 256 THR CA C 67.068 0.3 1 1034 278 256 THR CB C 68.279 0.3 1 1035 278 256 THR CG2 C 21.403 0.3 1 1036 278 256 THR N N 116.637 0.3 1 1037 279 257 LEU H H 8.607 0.020 1 1038 279 257 LEU C C 177.925 0.3 1 1039 279 257 LEU CA C 57.347 0.3 1 1040 279 257 LEU CB C 38.839 0.3 1 1041 279 257 LEU CG C 26.185 0.3 1 1042 279 257 LEU CD1 C 24.800 0.3 1 1043 279 257 LEU CD2 C 22.296 0.3 1 1044 279 257 LEU N N 122.143 0.3 1 1045 280 258 ALA H H 9.368 0.020 1 1046 280 258 ALA C C 180.293 0.3 1 1047 280 258 ALA CA C 55.003 0.3 1 1048 280 258 ALA CB C 17.760 0.3 1 1049 280 258 ALA N N 123.646 0.3 1 1050 281 259 THR H H 7.646 0.020 1 1051 281 259 THR C C 175.857 0.3 1 1052 281 259 THR CA C 66.790 0.3 1 1053 281 259 THR CB C 67.949 0.3 1 1054 281 259 THR CG2 C 21.274 0.3 1 1055 281 259 THR N N 115.924 0.3 1 1056 282 260 ALA H H 8.098 0.020 1 1057 282 260 ALA C C 179.299 0.3 1 1058 282 260 ALA CA C 54.237 0.3 1 1059 282 260 ALA CB C 17.321 0.3 1 1060 282 260 ALA N N 125.394 0.3 1 1061 283 261 ALA H H 8.677 0.020 1 1062 283 261 ALA C C 181.004 0.3 1 1063 283 261 ALA CA C 53.915 0.3 1 1064 283 261 ALA CB C 17.935 0.3 1 1065 283 261 ALA N N 122.379 0.3 1 1066 284 262 LYS H H 7.458 0.020 1 1067 284 262 LYS C C 177.574 0.3 1 1068 284 262 LYS CA C 58.127 0.3 1 1069 284 262 LYS CB C 32.378 0.3 1 1070 284 262 LYS CG C 24.897 0.3 1 1071 284 262 LYS CD C 30.500 0.3 1 1072 284 262 LYS CE C 41.490 0.3 1 1073 284 262 LYS N N 118.383 0.3 1 1074 284 262 LYS NZ N 119.614 0.3 1 1075 285 263 THR H H 7.658 0.020 1 1076 285 263 THR C C 174.253 0.3 1 1077 285 263 THR CA C 60.786 0.3 1 1078 285 263 THR CB C 68.650 0.3 1 1079 285 263 THR CG2 C 21.503 0.3 1 1080 285 263 THR N N 107.548 0.3 1 1081 286 264 GLY H H 7.517 0.020 1 1082 286 264 GLY C C 173.978 0.3 1 1083 286 264 GLY CA C 45.388 0.3 1 1084 286 264 GLY N N 107.797 0.3 1 1085 287 265 THR H H 8.018 0.020 1 1086 287 265 THR C C 172.355 0.3 1 1087 287 265 THR CA C 63.819 0.3 1 1088 287 265 THR CB C 68.359 0.3 1 1089 287 265 THR CG2 C 20.189 0.3 1 1090 287 265 THR N N 122.231 0.3 1 1091 288 266 ALA H H 7.890 0.020 1 1092 288 266 ALA C C 175.362 0.3 1 1093 288 266 ALA CA C 51.472 0.3 1 1094 288 266 ALA CB C 20.283 0.3 1 1095 288 266 ALA N N 129.978 0.3 1 1096 289 267 VAL H H 9.215 0.020 1 1097 289 267 VAL C C 174.331 0.3 1 1098 289 267 VAL CA C 60.802 0.3 1 1099 289 267 VAL CB C 34.359 0.3 1 1100 289 267 VAL CG1 C 21.500 0.3 1 1101 289 267 VAL CG2 C 20.568 0.3 1 1102 289 267 VAL N N 124.408 0.3 1 1103 290 268 VAL H H 9.046 0.020 1 1104 290 268 VAL C C 174.617 0.3 1 1105 290 268 VAL CA C 57.707 0.3 1 1106 290 268 VAL CB C 34.058 0.3 1 1107 290 268 VAL CG1 C 22.941 0.3 1 1108 290 268 VAL CG2 C 20.762 0.3 1 1109 290 268 VAL N N 126.000 0.3 1 1110 291 269 ARG H H 9.342 0.020 1 1111 291 269 ARG C C 172.558 0.3 1 1112 291 269 ARG CA C 55.770 0.3 1 1113 291 269 ARG CB C 30.031 0.3 1 1114 291 269 ARG CG C 28.500 0.3 1 1115 291 269 ARG CD C 41.827 0.3 1 1116 291 269 ARG N N 126.050 0.3 1 1117 292 270 SER C C 176.397 0.3 1 1118 292 270 SER CA C 53.359 0.3 1 1119 292 270 SER CB C 64.896 0.3 1 1120 292 270 SER N N 120.164 0.3 1 1121 293 271 SER H H 8.768 0.020 1 1122 293 271 SER C C 173.571 0.3 1 1123 293 271 SER CA C 55.855 0.3 1 1124 293 271 SER CB C 63.269 0.3 1 1125 293 271 SER N N 115.373 0.3 1 1126 294 272 ARG H H 9.649 0.020 1 1127 294 272 ARG C C 175.483 0.3 1 1128 294 272 ARG CA C 55.055 0.3 1 1129 294 272 ARG CB C 28.084 0.3 1 1130 294 272 ARG CG C 25.574 0.3 1 1131 294 272 ARG CD C 42.219 0.3 1 1132 294 272 ARG CZ C 160.841 0.3 1 1133 294 272 ARG N N 126.483 0.3 1 1134 295 273 VAL H H 8.817 0.020 1 1135 295 273 VAL C C 175.531 0.3 1 1136 295 273 VAL CA C 60.610 0.3 1 1137 295 273 VAL CB C 34.463 0.3 1 1138 295 273 VAL CG1 C 20.507 0.3 1 1139 295 273 VAL CG2 C 20.383 0.3 1 1140 295 273 VAL N N 124.929 0.3 1 1141 296 274 PRO C C 175.083 0.3 1 1142 296 274 PRO CA C 62.425 0.3 1 1143 296 274 PRO CB C 32.706 0.3 1 1144 296 274 PRO CG C 26.312 0.3 1 1145 296 274 PRO CD C 49.477 0.3 1 1146 296 274 PRO N N 131.988 0.3 1 1147 297 275 THR H H 7.150 0.020 1 1148 297 275 THR C C 173.217 0.3 1 1149 297 275 THR CA C 59.593 0.3 1 1150 297 275 THR CB C 72.416 0.3 1 1151 297 275 THR CG2 C 21.307 0.3 1 1152 297 275 THR N N 108.019 0.3 1 1153 298 276 GLY H H 8.590 0.020 1 1154 298 276 GLY C C 171.774 0.3 1 1155 298 276 GLY CA C 43.280 0.3 1 1156 298 276 GLY N N 109.531 0.3 1 1157 299 277 ALA H H 7.686 0.020 1 1158 299 277 ALA C C 177.667 0.3 1 1159 299 277 ALA CA C 50.059 0.3 1 1160 299 277 ALA CB C 19.814 0.3 1 1161 299 277 ALA N N 118.620 0.3 1 1162 300 278 THR H H 7.865 0.020 1 1163 300 278 THR C C 176.801 0.3 1 1164 300 278 THR CA C 62.675 0.3 1 1165 300 278 THR CB C 66.396 0.3 1 1166 300 278 THR CG2 C 22.103 0.3 1 1167 300 278 THR N N 121.706 0.3 1 1168 301 279 THR H H 8.863 0.020 1 1169 301 279 THR C C 176.481 0.3 1 1170 301 279 THR CA C 60.373 0.3 1 1171 301 279 THR CB C 69.698 0.3 1 1172 301 279 THR CG2 C 21.981 0.3 1 1173 301 279 THR N N 119.336 0.3 1 1174 302 280 GLN H H 8.305 0.020 1 1175 302 280 GLN C C 175.731 0.3 1 1176 302 280 GLN CA C 55.925 0.3 1 1177 302 280 GLN CB C 29.864 0.3 1 1178 302 280 GLN CG C 32.351 0.3 1 1179 302 280 GLN N N 119.441 0.3 1 1180 303 281 ASP H H 9.101 0.020 1 1181 303 281 ASP C C 173.159 0.3 1 1182 303 281 ASP CA C 52.227 0.3 1 1183 303 281 ASP CB C 40.273 0.3 1 1184 303 281 ASP CG C 179.443 0.3 1 1185 303 281 ASP N N 118.750 0.3 1 1186 304 282 ALA H H 8.150 0.020 1 1187 304 282 ALA C C 177.605 0.3 1 1188 304 282 ALA CA C 51.551 0.3 1 1189 304 282 ALA CB C 18.487 0.3 1 1190 304 282 ALA N N 124.292 0.3 1 1191 305 283 GLU H H 8.210 0.020 1 1192 305 283 GLU C C 175.934 0.3 1 1193 305 283 GLU CA C 57.188 0.3 1 1194 305 283 GLU CB C 29.568 0.3 1 1195 305 283 GLU N N 119.388 0.3 1 1196 306 284 VAL H H 7.481 0.020 1 1197 306 284 VAL C C 175.002 0.3 1 1198 306 284 VAL CA C 59.215 0.3 1 1199 306 284 VAL CB C 32.872 0.3 1 1200 306 284 VAL CG1 C 27.728 0.3 1 1201 306 284 VAL CG2 C 26.526 0.3 1 1202 306 284 VAL N N 117.479 0.3 1 1203 307 285 ASP H H 8.230 0.020 1 1204 307 285 ASP C C 174.359 0.3 1 1205 307 285 ASP CA C 51.620 0.3 1 1206 307 285 ASP CB C 38.265 0.3 1 1207 307 285 ASP N N 127.370 0.3 1 1208 308 286 ASP H H 7.914 0.020 1 1209 308 286 ASP C C 178.391 0.3 1 1210 308 286 ASP CA C 59.163 0.3 1 1211 308 286 ASP CB C 40.707 0.3 1 1212 308 286 ASP N N 126.577 0.3 1 1213 309 287 ALA H H 8.426 0.020 1 1214 309 287 ALA C C 179.156 0.3 1 1215 309 287 ALA CA C 54.252 0.3 1 1216 309 287 ALA CB C 18.177 0.3 1 1217 309 287 ALA N N 120.610 0.3 1 1218 310 288 LYS H H 7.274 0.020 1 1219 310 288 LYS C C 176.913 0.3 1 1220 310 288 LYS CA C 57.874 0.3 1 1221 310 288 LYS CB C 32.074 0.3 1 1222 310 288 LYS CG C 24.290 0.3 1 1223 310 288 LYS CD C 29.165 0.3 1 1224 310 288 LYS CE C 41.582 0.3 1 1225 310 288 LYS N N 119.301 0.3 1 1226 311 289 TYR H H 6.831 0.020 1 1227 311 289 TYR C C 174.623 0.3 1 1228 311 289 TYR CA C 58.232 0.3 1 1229 311 289 TYR CB C 36.941 0.3 1 1230 311 289 TYR CD1 C 130.394 0.3 1 1231 311 289 TYR CD2 C 130.394 0.3 1 1232 311 289 TYR N N 113.045 0.3 1 1233 312 290 GLY H H 7.876 0.020 1 1234 312 290 GLY C C 173.608 0.3 1 1235 312 290 GLY CA C 45.276 0.3 1 1236 312 290 GLY N N 107.424 0.3 1 1237 313 291 PHE H H 7.420 0.020 1 1238 313 291 PHE C C 174.353 0.3 1 1239 313 291 PHE CA C 51.912 0.3 1 1240 313 291 PHE CB C 39.350 0.3 1 1241 313 291 PHE N N 116.782 0.3 1 1242 314 292 VAL H H 7.914 0.020 1 1243 314 292 VAL C C 173.438 0.3 1 1244 314 292 VAL CA C 60.043 0.3 1 1245 314 292 VAL CB C 34.507 0.3 1 1246 314 292 VAL CG1 C 21.318 0.3 1 1247 314 292 VAL CG2 C 20.289 0.3 1 1248 314 292 VAL N N 120.319 0.3 1 1249 315 293 ALA H H 9.201 0.020 1 1250 315 293 ALA C C 178.845 0.3 1 1251 315 293 ALA CA C 50.837 0.3 1 1252 315 293 ALA CB C 19.800 0.3 1 1253 315 293 ALA N N 131.047 0.3 1 1254 316 294 SER C C 177.486 0.3 1 1255 316 294 SER CA C 60.488 0.3 1 1256 316 294 SER CB C 64.121 0.3 1 1257 316 294 SER N N 115.928 0.3 1 1258 319 297 LEU H H 7.049 0.020 1 1259 319 297 LEU C C 174.985 0.3 1 1260 319 297 LEU CA C 54.833 0.3 1 1261 319 297 LEU N N 120.454 0.3 1 1262 320 298 ASN H H 7.379 0.020 1 1263 320 298 ASN C C 172.716 0.3 1 1264 320 298 ASN CA C 51.223 0.3 1 1265 320 298 ASN CB C 35.508 0.3 1 1266 320 298 ASN N N 125.333 0.3 1 1267 322 300 GLN C C 177.731 0.3 1 1268 322 300 GLN CA C 57.479 0.3 1 1269 322 300 GLN CB C 25.993 0.3 1 1270 322 300 GLN CG C 30.395 0.3 1 1271 322 300 GLN CD C 180.940 0.3 1 1272 322 300 GLN N N 113.900 0.3 1 1273 323 301 LYS C C 177.464 0.3 1 1274 323 301 LYS CA C 59.234 0.3 1 1275 323 301 LYS CB C 33.914 0.3 1 1276 323 301 LYS CG C 26.620 0.3 1 1277 323 301 LYS CD C 29.373 0.3 1 1278 323 301 LYS CE C 44.091 0.3 1 1279 323 301 LYS N N 124.577 0.3 1 1280 323 301 LYS NZ N 120.636 0.3 1 1281 324 302 ALA C C 179.414 0.3 1 1282 324 302 ALA CA C 54.263 0.3 1 1283 324 302 ALA CB C 18.130 0.3 1 1284 324 302 ALA N N 120.493 0.3 1 1285 325 303 ARG C C 177.210 0.3 1 1286 325 303 ARG CA C 56.152 0.3 1 1287 325 303 ARG CB C 25.862 0.3 1 1288 325 303 ARG CG C 20.669 0.3 1 1289 325 303 ARG CD C 40.751 0.3 1 1290 325 303 ARG N N 120.432 0.3 1 1291 327 305 LEU C C 177.381 0.3 1 1292 327 305 LEU CA C 54.236 0.3 1 1293 327 305 LEU CB C 43.920 0.3 1 1294 327 305 LEU CG C 26.175 0.3 1 1295 327 305 LEU CD1 C 26.094 0.3 1 1296 327 305 LEU CD2 C 22.505 0.3 1 1297 327 305 LEU N N 113.273 0.3 1 1298 328 306 LEU C C 177.381 0.3 1 1299 328 306 LEU CA C 57.622 0.3 1 1300 328 306 LEU CB C 41.064 0.3 1 1301 328 306 LEU CG C 25.956 0.3 1 1302 328 306 LEU CD1 C 24.739 0.3 1 1303 328 306 LEU CD2 C 22.316 0.3 1 1304 328 306 LEU N N 120.338 0.3 1 1305 329 307 GLN C C 177.141 0.3 1 1306 329 307 GLN CA C 60.660 0.3 1 1307 329 307 GLN CB C 31.687 0.3 1 1308 329 307 GLN CG C 35.672 0.3 1 1309 329 307 GLN N N 117.658 0.3 1 1310 330 308 LEU C C 180.504 0.3 1 1311 330 308 LEU CA C 56.106 0.3 1 1312 330 308 LEU CB C 38.993 0.3 1 1313 330 308 LEU CG C 26.942 0.3 1 1314 330 308 LEU CD1 C 25.749 0.3 1 1315 330 308 LEU CD2 C 21.691 0.3 1 1316 330 308 LEU N N 114.814 0.3 1 1317 331 309 ALA C C 178.894 0.3 1 1318 331 309 ALA CA C 55.885 0.3 1 1319 331 309 ALA CB C 18.373 0.3 1 1320 331 309 ALA N N 127.757 0.3 1 1321 332 310 LEU C C 177.645 0.3 1 1322 332 310 LEU CA C 55.764 0.3 1 1323 332 310 LEU CB C 42.385 0.3 1 1324 332 310 LEU CG C 26.898 0.3 1 1325 332 310 LEU CD1 C 26.476 0.3 1 1326 332 310 LEU CD2 C 22.538 0.3 1 1327 332 310 LEU N N 116.380 0.3 1 1328 333 311 THR H H 7.554 0.020 1 1329 333 311 THR C C 174.132 0.3 1 1330 333 311 THR CA C 63.175 0.3 1 1331 333 311 THR CB C 69.662 0.3 1 1332 333 311 THR CG2 C 21.262 0.3 1 1333 333 311 THR N N 109.825 0.3 1 1334 334 312 GLN H H 8.050 0.020 1 1335 334 312 GLN C C 174.576 0.3 1 1336 334 312 GLN CA C 55.574 0.3 1 1337 334 312 GLN CB C 30.930 0.3 1 1338 334 312 GLN CG C 33.018 0.3 1 1339 334 312 GLN CD C 178.804 0.3 1 1340 334 312 GLN N N 118.764 0.3 1 1341 335 313 THR H H 8.555 0.020 1 1342 335 313 THR C C 168.971 0.3 1 1343 335 313 THR CA C 59.954 0.3 1 1344 335 313 THR CB C 67.824 0.3 1 1345 335 313 THR CG2 C 18.794 0.3 1 1346 335 313 THR N N 115.926 0.3 1 1347 336 314 LYS H H 8.096 0.020 1 1348 336 314 LYS C C 176.003 0.3 1 1349 336 314 LYS CA C 54.143 0.3 1 1350 336 314 LYS CB C 33.065 0.3 1 1351 336 314 LYS CG C 24.745 0.3 1 1352 336 314 LYS CD C 28.881 0.3 1 1353 336 314 LYS CE C 41.858 0.3 1 1354 336 314 LYS N N 121.126 0.3 1 1355 337 315 ASP H H 8.419 0.020 1 1356 337 315 ASP C C 174.746 0.3 1 1357 337 315 ASP CA C 51.123 0.3 1 1358 337 315 ASP CB C 41.868 0.3 1 1359 337 315 ASP N N 125.115 0.3 1 1360 338 316 PRO C C 177.761 0.3 1 1361 338 316 PRO CA C 65.205 0.3 1 1362 338 316 PRO CB C 31.754 0.3 1 1363 338 316 PRO CG C 27.530 0.3 1 1364 338 316 PRO CD C 50.791 0.3 1 1365 338 316 PRO N N 100.833 0.3 1 1366 339 317 GLN H H 8.041 0.020 1 1367 339 317 GLN C C 179.175 0.3 1 1368 339 317 GLN CA C 58.718 0.3 1 1369 339 317 GLN CB C 28.006 0.3 1 1370 339 317 GLN CG C 34.192 0.3 1 1371 339 317 GLN CD C 180.262 0.3 1 1372 339 317 GLN N N 117.239 0.3 1 1373 340 318 GLN H H 7.685 0.020 1 1374 340 318 GLN C C 178.879 0.3 1 1375 340 318 GLN CA C 57.902 0.3 1 1376 340 318 GLN CB C 28.496 0.3 1 1377 340 318 GLN N N 119.963 0.3 1 1378 341 319 ILE H H 8.765 0.020 1 1379 341 319 ILE C C 177.823 0.3 1 1380 341 319 ILE CA C 65.978 0.3 1 1381 341 319 ILE CB C 36.576 0.3 1 1382 341 319 ILE CG1 C 29.969 0.3 1 1383 341 319 ILE CG2 C 18.667 0.3 1 1384 341 319 ILE CD1 C 12.071 0.3 1 1385 341 319 ILE N N 121.767 0.3 1 1386 342 320 GLN H H 8.702 0.020 1 1387 342 320 GLN C C 177.451 0.3 1 1388 342 320 GLN CA C 58.135 0.3 1 1389 342 320 GLN CB C 28.221 0.3 1 1390 342 320 GLN CG C 33.788 0.3 1 1391 342 320 GLN CD C 179.921 0.3 1 1392 342 320 GLN N N 121.462 0.3 1 1393 343 321 GLN H H 7.704 0.020 1 1394 343 321 GLN C C 177.591 0.3 1 1395 343 321 GLN CA C 59.072 0.3 1 1396 343 321 GLN CB C 27.641 0.3 1 1397 343 321 GLN N N 118.818 0.3 1 1398 344 322 ILE H H 8.080 0.020 1 1399 344 322 ILE C C 178.445 0.3 1 1400 344 322 ILE CA C 66.048 0.3 1 1401 344 322 ILE CB C 37.838 0.3 1 1402 344 322 ILE CG1 C 30.721 0.3 1 1403 344 322 ILE CG2 C 17.839 0.3 1 1404 344 322 ILE CD1 C 13.545 0.3 1 1405 344 322 ILE N N 121.981 0.3 1 stop_ save_