data_27589 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assignment of crystalline E.coli asparaginase II (ANSII) by solid-state NMR ; _BMRB_accession_number 27589 _BMRB_flat_file_name bmr27589.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" 195 "13C chemical shifts" 676 "15N chemical shifts" 198 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' 27590 'pegylated 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 'Crystalline 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 'Freeze-dried ANSII' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ANSII 10 mg '[U-100% 2H; Lys U-100% 1H, 13C, 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_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 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)CONH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CONH' _Sample_label $sample_1 save_ save_3D_(H)CO(CA)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CO(CA)NH' _Sample_label $sample_1 save_ save_3D_(H)CANH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CANH' _Sample_label $sample_1 save_ save_3D_(H)CA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CA(CO)NH' _Sample_label $sample_1 save_ save_3D_(H)(CA)CB(CA)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)(CA)CB(CA)NH' _Sample_label $sample_1 save_ save_3D_(H)(CA)CB(CACO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)(CA)CB(CACO)NH' _Sample_label $sample_1 save_ save_2D_13C-15N_NCA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C-15N NCA' _Sample_label $sample_2 save_ save_2D_13C-13C_DARR_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C-13C DARR' _Sample_label $sample_2 save_ save_3D_NCACX_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NCACX' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0 . M pH 7.5 . pH pressure 1 . atm temperature 280 . 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)CONH' '3D (H)CO(CA)NH' '3D (H)CANH' '3D (H)CA(CO)NH' '3D (H)(CA)CB(CA)NH' '3D (H)(CA)CB(CACO)NH' '2D 13C-15N NCA' '2D 13C-13C DARR' '3D NCACX' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name '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 25 3 ASN H H 9.868 0.020 1 2 25 3 ASN C C 172.530 0.3 1 3 25 3 ASN CA C 51.958 0.3 1 4 25 3 ASN CB C 39.116 0.3 1 5 25 3 ASN N N 122.858 0.3 1 6 26 4 ILE H H 8.180 0.020 1 7 26 4 ILE C C 173.892 0.3 1 8 26 4 ILE CA C 55.690 0.3 1 9 26 4 ILE CB C 38.509 0.3 1 10 26 4 ILE CD1 C 8.226 0.3 1 11 26 4 ILE N N 123.895 0.3 1 12 28 6 ILE H H 9.353 0.020 1 13 28 6 ILE C C 174.008 0.3 1 14 28 6 ILE CA C 58.912 0.3 1 15 28 6 ILE CB C 37.875 0.3 1 16 28 6 ILE CG1 C 26.440 0.3 1 17 28 6 ILE CG2 C 16.510 0.3 1 18 28 6 ILE CD1 C 12.446 0.3 1 19 28 6 ILE N N 128.204 0.3 1 20 30 8 ALA H H 8.768 0.020 1 21 30 8 ALA C C 178.311 0.3 1 22 30 8 ALA CA C 50.665 0.3 1 23 30 8 ALA CB C 21.224 0.3 1 24 30 8 ALA N N 125.387 0.3 1 25 31 9 THR H H 7.324 0.020 1 26 31 9 THR C C 177.724 0.3 1 27 31 9 THR CA C 60.641 0.3 1 28 31 9 THR CB C 70.295 0.3 1 29 31 9 THR N N 107.534 0.3 1 30 57 35 LEU H H 7.539 0.020 1 31 57 35 LEU C C 176.902 0.3 1 32 57 35 LEU CA C 57.813 0.3 1 33 57 35 LEU CB C 40.960 0.3 1 34 57 35 LEU N N 122.300 0.3 1 35 58 36 VAL H H 7.619 0.020 1 36 58 36 VAL C C 176.440 0.3 1 37 58 36 VAL CA C 64.269 0.3 1 38 58 36 VAL CB C 30.248 0.3 1 39 58 36 VAL N N 113.306 0.3 1 40 59 37 ASN H H 7.551 0.020 1 41 59 37 ASN C C 176.271 0.3 1 42 59 37 ASN CA C 55.085 0.3 1 43 59 37 ASN CB C 38.675 0.3 1 44 59 37 ASN N N 116.782 0.3 1 45 60 38 ALA H H 7.421 0.020 1 46 60 38 ALA C C 177.561 0.3 1 47 60 38 ALA CA C 53.856 0.3 1 48 60 38 ALA CB C 17.772 0.3 1 49 60 38 ALA N N 120.945 0.3 1 50 61 39 VAL H H 7.446 0.020 1 51 61 39 VAL C C 177.291 0.3 1 52 61 39 VAL CA C 58.652 0.3 1 53 61 39 VAL CB C 31.567 0.3 1 54 61 39 VAL N N 117.639 0.3 1 55 62 40 PRO C C 179.150 0.3 1 56 62 40 PRO CA C 64.487 0.3 1 57 62 40 PRO CB C 30.512 0.3 1 58 62 40 PRO CG C 22.725 0.3 1 59 62 40 PRO CD C 49.814 0.3 1 60 62 40 PRO N N 136.340 0.3 1 61 63 41 GLN H H 9.266 0.020 1 62 63 41 GLN C C 177.816 0.3 1 63 63 41 GLN CA C 58.756 0.3 1 64 63 41 GLN CB C 26.611 0.3 1 65 63 41 GLN CG C 34.054 0.3 1 66 63 41 GLN CD C 180.716 0.3 1 67 63 41 GLN N N 119.185 0.3 1 68 64 42 LEU H H 8.285 0.020 1 69 64 42 LEU C C 177.811 0.3 1 70 64 42 LEU CA C 57.511 0.3 1 71 64 42 LEU CB C 41.685 0.3 1 72 64 42 LEU N N 117.827 0.3 1 73 65 43 LYS H H 7.470 0.020 1 74 65 43 LYS C C 175.952 0.3 1 75 65 43 LYS CA C 57.405 0.3 1 76 65 43 LYS CB C 31.685 0.3 1 77 65 43 LYS CG C 24.746 0.3 1 78 65 43 LYS CD C 29.019 0.3 1 79 65 43 LYS CE C 41.707 0.3 1 80 65 43 LYS N N 113.445 0.3 1 81 66 44 ASP H H 7.184 0.020 1 82 66 44 ASP C C 175.509 0.3 1 83 66 44 ASP CA C 54.874 0.3 1 84 66 44 ASP CB C 40.820 0.3 1 85 66 44 ASP N N 115.208 0.3 1 86 67 45 ILE H H 7.432 0.020 1 87 67 45 ILE C C 174.209 0.3 1 88 67 45 ILE CA C 59.834 0.3 1 89 67 45 ILE CB C 39.191 0.3 1 90 67 45 ILE CG1 C 28.268 0.3 1 91 67 45 ILE CG2 C 16.622 0.3 1 92 67 45 ILE CD1 C 14.276 0.3 1 93 67 45 ILE N N 113.190 0.3 1 94 68 46 ALA H H 7.921 0.020 1 95 68 46 ALA C C 173.753 0.3 1 96 68 46 ALA CA C 50.690 0.3 1 97 68 46 ALA CB C 21.694 0.3 1 98 68 46 ALA N N 119.651 0.3 1 99 69 47 ASN H H 8.740 0.020 1 100 69 47 ASN C C 174.265 0.3 1 101 69 47 ASN CA C 51.817 0.3 1 102 69 47 ASN CB C 37.592 0.3 1 103 69 47 ASN N N 118.056 0.3 1 104 70 48 VAL H H 8.537 0.020 1 105 70 48 VAL C C 174.601 0.3 1 106 70 48 VAL CA C 60.837 0.3 1 107 70 48 VAL CB C 32.319 0.3 1 108 70 48 VAL N N 124.986 0.3 1 109 71 49 LYS H H 8.282 0.020 1 110 71 49 LYS C C 174.173 0.3 1 111 71 49 LYS CA C 54.065 0.3 1 112 71 49 LYS CB C 35.461 0.3 1 113 71 49 LYS CG C 24.122 0.3 1 114 71 49 LYS CD C 28.728 0.3 1 115 71 49 LYS CE C 41.786 0.3 1 116 71 49 LYS N N 126.887 0.3 1 117 72 50 GLY H H 8.719 0.020 1 118 72 50 GLY C C 171.983 0.3 1 119 72 50 GLY CA C 44.791 0.3 1 120 72 50 GLY N N 109.698 0.3 1 121 73 51 GLU H H 8.933 0.020 1 122 73 51 GLU C C 173.246 0.3 1 123 73 51 GLU CA C 54.815 0.3 1 124 73 51 GLU CB C 33.184 0.3 1 125 73 51 GLU N N 120.741 0.3 1 126 74 52 GLN H H 9.153 0.020 1 127 74 52 GLN C C 174.509 0.3 1 128 74 52 GLN CA C 54.655 0.3 1 129 74 52 GLN CB C 26.097 0.3 1 130 74 52 GLN N N 126.962 0.3 1 131 75 53 VAL H H 8.744 0.020 1 132 75 53 VAL C C 174.744 0.3 1 133 75 53 VAL CA C 64.496 0.3 1 134 75 53 VAL CB C 31.942 0.3 1 135 75 53 VAL CG1 C 20.404 0.3 1 136 75 53 VAL CG2 C 17.036 0.3 1 137 75 53 VAL N N 129.161 0.3 1 138 76 54 VAL H H 7.605 0.020 1 139 76 54 VAL C C 172.718 0.3 1 140 76 54 VAL CA C 59.054 0.3 1 141 76 54 VAL CB C 35.207 0.3 1 142 76 54 VAL N N 110.939 0.3 1 143 77 55 ASN H H 8.607 0.020 1 144 77 55 ASN C C 176.577 0.3 1 145 77 55 ASN CA C 52.061 0.3 1 146 77 55 ASN CB C 38.593 0.3 1 147 77 55 ASN N N 120.867 0.3 1 148 81 59 GLN H H 9.926 0.020 1 149 81 59 GLN C C 173.138 0.3 1 150 81 59 GLN CA C 57.577 0.3 1 151 81 59 GLN CB C 25.107 0.3 1 152 81 59 GLN N N 128.812 0.3 1 153 82 60 ASP H H 7.637 0.020 1 154 82 60 ASP C C 174.789 0.3 1 155 82 60 ASP CA C 53.570 0.3 1 156 82 60 ASP CB C 40.859 0.3 1 157 82 60 ASP N N 119.592 0.3 1 158 83 61 MET H H 7.176 0.020 1 159 83 61 MET C C 171.771 0.3 1 160 83 61 MET CA C 54.411 0.3 1 161 83 61 MET CB C 30.307 0.3 1 162 83 61 MET N N 120.265 0.3 1 163 84 62 ASN H H 6.338 0.020 1 164 84 62 ASN C C 172.810 0.3 1 165 84 62 ASN CA C 51.754 0.3 1 166 84 62 ASN CB C 41.367 0.3 1 167 84 62 ASN N N 113.471 0.3 1 168 85 63 ASP H H 8.727 0.020 1 169 85 63 ASP C C 176.719 0.3 1 170 85 63 ASP CA C 55.980 0.3 1 171 85 63 ASP CB C 41.083 0.3 1 172 85 63 ASP N N 118.049 0.3 1 173 86 64 ASN H H 7.921 0.020 1 174 86 64 ASN C C 178.074 0.3 1 175 86 64 ASN CA C 56.129 0.3 1 176 86 64 ASN CB C 38.106 0.3 1 177 86 64 ASN N N 115.526 0.3 1 178 87 65 VAL H H 7.503 0.020 1 179 87 65 VAL C C 176.906 0.3 1 180 87 65 VAL CA C 65.725 0.3 1 181 87 65 VAL CB C 31.008 0.3 1 182 87 65 VAL N N 122.221 0.3 1 183 88 66 TRP H H 7.192 0.020 1 184 88 66 TRP C C 176.700 0.3 1 185 88 66 TRP CA C 58.716 0.3 1 186 88 66 TRP CB C 26.424 0.3 1 187 88 66 TRP N N 121.297 0.3 1 188 89 67 LEU H H 8.112 0.020 1 189 89 67 LEU C C 177.899 0.3 1 190 89 67 LEU CA C 57.863 0.3 1 191 89 67 LEU CB C 41.769 0.3 1 192 89 67 LEU N N 117.724 0.3 1 193 90 68 THR H H 7.831 0.020 1 194 90 68 THR CA C 66.467 0.3 1 195 90 68 THR CB C 68.706 0.3 1 196 90 68 THR N N 115.331 0.3 1 197 91 69 LEU H H 7.008 0.020 1 198 91 69 LEU C C 174.715 0.3 1 199 91 69 LEU CA C 54.702 0.3 1 200 91 69 LEU CB C 41.226 0.3 1 201 91 69 LEU N N 120.856 0.3 1 202 92 70 ALA H H 7.386 0.020 1 203 92 70 ALA C C 177.471 0.3 1 204 92 70 ALA CA C 54.102 0.3 1 205 92 70 ALA CB C 17.724 0.3 1 206 92 70 ALA N N 125.142 0.3 1 207 93 71 LYS H H 7.746 0.020 1 208 93 71 LYS C C 179.077 0.3 1 209 93 71 LYS CA C 59.074 0.3 1 210 93 71 LYS CB C 32.853 0.3 1 211 93 71 LYS CG C 25.560 0.3 1 212 93 71 LYS CD C 29.709 0.3 1 213 93 71 LYS CE C 42.675 0.3 1 214 93 71 LYS N N 114.229 0.3 1 215 94 72 LYS H H 7.930 0.020 1 216 94 72 LYS C C 176.679 0.3 1 217 94 72 LYS CA C 58.154 0.3 1 218 94 72 LYS CB C 31.749 0.3 1 219 94 72 LYS CG C 24.981 0.3 1 220 94 72 LYS CD C 28.038 0.3 1 221 94 72 LYS CE C 41.794 0.3 1 222 94 72 LYS N N 121.967 0.3 1 223 95 73 ILE H H 8.595 0.020 1 224 95 73 ILE C C 176.719 0.3 1 225 95 73 ILE CA C 58.220 0.3 1 226 95 73 ILE CB C 39.018 0.3 1 227 95 73 ILE N N 126.626 0.3 1 228 96 74 ASN H H 7.930 0.020 1 229 96 74 ASN C C 178.112 0.3 1 230 96 74 ASN CA C 55.189 0.3 1 231 96 74 ASN CB C 36.405 0.3 1 232 96 74 ASN N N 115.915 0.3 1 233 97 75 THR H H 8.270 0.020 1 234 97 75 THR C C 175.518 0.3 1 235 97 75 THR CA C 65.669 0.3 1 236 97 75 THR CB C 68.396 0.3 1 237 97 75 THR CG2 C 21.859 0.3 1 238 97 75 THR N N 116.915 0.3 1 239 98 76 ASP H H 8.205 0.020 1 240 98 76 ASP C C 176.073 0.3 1 241 98 76 ASP CA C 54.536 0.3 1 242 98 76 ASP CB C 38.937 0.3 1 243 98 76 ASP N N 121.210 0.3 1 244 99 77 CYS H H 7.408 0.020 1 245 99 77 CYS C C 173.805 0.3 1 246 99 77 CYS CA C 59.433 0.3 1 247 99 77 CYS CB C 38.954 0.3 1 248 99 77 CYS N N 120.907 0.3 1 249 100 78 ASP H H 8.512 0.020 1 250 100 78 ASP C C 176.061 0.3 1 251 100 78 ASP CA C 55.121 0.3 1 252 100 78 ASP CB C 39.422 0.3 1 253 100 78 ASP N N 112.982 0.3 1 254 101 79 LYS H H 7.972 0.020 1 255 101 79 LYS C C 174.265 0.3 1 256 101 79 LYS CA C 55.179 0.3 1 257 101 79 LYS CB C 32.756 0.3 1 258 101 79 LYS CG C 24.250 0.3 1 259 101 79 LYS CD C 28.701 0.3 1 260 101 79 LYS CE C 41.697 0.3 1 261 101 79 LYS N N 116.911 0.3 1 262 102 80 THR H H 7.214 0.020 1 263 102 80 THR C C 170.141 0.3 1 264 102 80 THR CA C 58.915 0.3 1 265 102 80 THR CB C 70.070 0.3 1 266 102 80 THR CG2 C 20.397 0.3 1 267 102 80 THR N N 115.405 0.3 1 268 103 81 ASP H H 8.473 0.020 1 269 103 81 ASP C C 176.265 0.3 1 270 103 81 ASP CA C 55.095 0.3 1 271 103 81 ASP CB C 40.698 0.3 1 272 103 81 ASP N N 118.791 0.3 1 273 104 82 GLY H H 7.594 0.020 1 274 104 82 GLY C C 169.044 0.3 1 275 104 82 GLY CA C 45.191 0.3 1 276 104 82 GLY N N 108.539 0.3 1 277 105 83 PHE H H 7.215 0.020 1 278 105 83 PHE C C 173.672 0.3 1 279 105 83 PHE CA C 56.895 0.3 1 280 105 83 PHE CB C 41.524 0.3 1 281 105 83 PHE N N 116.982 0.3 1 282 106 84 VAL H H 8.279 0.020 1 283 106 84 VAL C C 175.282 0.3 1 284 106 84 VAL CA C 59.647 0.3 1 285 106 84 VAL CB C 39.324 0.3 1 286 106 84 VAL N N 121.649 0.3 1 287 107 85 ILE H H 8.880 0.020 1 288 107 85 ILE C C 175.931 0.3 1 289 107 85 ILE CA C 54.970 0.3 1 290 107 85 ILE CB C 39.129 0.3 1 291 107 85 ILE N N 126.368 0.3 1 292 109 87 HIS H H 8.910 0.020 1 293 109 87 HIS C C 173.763 0.3 1 294 109 87 HIS CA C 54.636 0.3 1 295 109 87 HIS CB C 33.697 0.3 1 296 109 87 HIS N N 128.926 0.3 1 297 110 88 GLY H H 8.413 0.020 1 298 110 88 GLY C C 176.734 0.3 1 299 110 88 GLY CA C 45.618 0.3 1 300 110 88 GLY N N 111.130 0.3 1 301 114 92 MET H H 7.141 0.020 1 302 114 92 MET C C 175.488 0.3 1 303 114 92 MET CA C 59.302 0.3 1 304 114 92 MET CB C 33.422 0.3 1 305 114 92 MET N N 126.024 0.3 1 306 115 93 GLU H H 9.727 0.020 1 307 115 93 GLU C C 174.986 0.3 1 308 115 93 GLU CA C 57.104 0.3 1 309 115 93 GLU CB C 30.227 0.3 1 310 115 93 GLU N N 113.241 0.3 1 311 116 94 GLU H H 7.796 0.020 1 312 116 94 GLU C C 174.796 0.3 1 313 116 94 GLU CA C 58.398 0.3 1 314 116 94 GLU CB C 29.945 0.3 1 315 116 94 GLU N N 122.755 0.3 1 316 117 95 THR H H 7.680 0.020 1 317 117 95 THR C C 175.824 0.3 1 318 117 95 THR CA C 64.436 0.3 1 319 117 95 THR CB C 68.331 0.3 1 320 117 95 THR N N 115.616 0.3 1 321 126 104 LYS H H 9.286 0.020 1 322 126 104 LYS C C 174.408 0.3 1 323 126 104 LYS CA C 51.517 0.3 1 324 126 104 LYS CB C 30.264 0.3 1 325 126 104 LYS CG C 23.331 0.3 1 326 126 104 LYS CD C 27.385 0.3 1 327 126 104 LYS CE C 43.359 0.3 1 328 126 104 LYS N N 124.346 0.3 1 329 127 105 CYS H H 6.671 0.020 1 330 127 105 CYS C C 172.558 0.3 1 331 127 105 CYS CA C 53.578 0.3 1 332 127 105 CYS CB C 37.937 0.3 1 333 127 105 CYS N N 117.886 0.3 1 334 128 106 ASP H H 9.005 0.020 1 335 128 106 ASP C C 176.057 0.3 1 336 128 106 ASP CA C 54.539 0.3 1 337 128 106 ASP CB C 39.746 0.3 1 338 128 106 ASP N N 128.254 0.3 1 339 129 107 LYS C C 175.205 0.3 1 340 129 107 LYS CA C 54.368 0.3 1 341 129 107 LYS CB C 32.038 0.3 1 342 129 107 LYS CG C 24.400 0.3 1 343 129 107 LYS CD C 28.303 0.3 1 344 129 107 LYS CE C 41.701 0.3 1 345 129 107 LYS N N 118.429 0.3 1 346 134 112 VAL H H 8.902 0.020 1 347 134 112 VAL C C 174.647 0.3 1 348 134 112 VAL CA C 59.149 0.3 1 349 134 112 VAL CB C 39.700 0.3 1 350 134 112 VAL N N 121.951 0.3 1 351 135 113 GLY H H 8.721 0.020 1 352 135 113 GLY C C 170.371 0.3 1 353 135 113 GLY CA C 44.564 0.3 1 354 135 113 GLY N N 112.734 0.3 1 355 136 114 ALA H H 8.779 0.020 1 356 136 114 ALA C C 176.456 0.3 1 357 136 114 ALA CA C 51.277 0.3 1 358 136 114 ALA CB C 21.987 0.3 1 359 136 114 ALA N N 122.225 0.3 1 360 137 115 MET H H 11.582 0.020 1 361 137 115 MET C C 176.865 0.3 1 362 137 115 MET CA C 54.189 0.3 1 363 137 115 MET N N 125.725 0.3 1 364 138 116 ARG H H 9.868 0.020 1 365 138 116 ARG C C 172.876 0.3 1 366 138 116 ARG CA C 52.629 0.3 1 367 138 116 ARG CB C 30.578 0.3 1 368 138 116 ARG N N 124.817 0.3 1 369 157 135 THR H H 7.840 0.020 1 370 157 135 THR C C 173.997 0.3 1 371 157 135 THR CA C 62.667 0.3 1 372 157 135 THR CB C 72.015 0.3 1 373 157 135 THR N N 109.532 0.3 1 374 159 137 ALA H H 9.071 0.020 1 375 159 137 ALA C C 175.520 0.3 1 376 159 137 ALA CA C 51.578 0.3 1 377 159 137 ALA CB C 21.829 0.3 1 378 159 137 ALA N N 122.850 0.3 1 379 160 138 ASP H H 7.117 0.020 1 380 160 138 ASP C C 177.728 0.3 1 381 160 138 ASP CA C 53.679 0.3 1 382 160 138 ASP CB C 42.086 0.3 1 383 160 138 ASP N N 122.182 0.3 1 384 161 139 LYS H H 8.878 0.020 1 385 161 139 LYS C C 178.719 0.3 1 386 161 139 LYS CA C 58.130 0.3 1 387 161 139 LYS CB C 31.580 0.3 1 388 161 139 LYS CG C 24.714 0.3 1 389 161 139 LYS CD C 28.164 0.3 1 390 161 139 LYS CE C 41.608 0.3 1 391 161 139 LYS N N 129.392 0.3 1 392 162 140 ALA H H 9.155 0.020 1 393 162 140 ALA C C 177.785 0.3 1 394 162 140 ALA CA C 53.024 0.3 1 395 162 140 ALA CB C 18.189 0.3 1 396 162 140 ALA N N 121.074 0.3 1 397 163 141 SER H H 8.172 0.020 1 398 163 141 SER C C 172.430 0.3 1 399 163 141 SER CA C 57.949 0.3 1 400 163 141 SER CB C 63.356 0.3 1 401 163 141 SER N N 114.155 0.3 1 402 164 142 ALA H H 7.027 0.020 1 403 164 142 ALA C C 175.321 0.3 1 404 164 142 ALA CA C 52.027 0.3 1 405 164 142 ALA CB C 18.055 0.3 1 406 164 142 ALA N N 121.561 0.3 1 407 165 143 ASN H H 8.735 0.020 1 408 165 143 ASN C C 175.155 0.3 1 409 165 143 ASN CA C 54.779 0.3 1 410 165 143 ASN CB C 37.134 0.3 1 411 165 143 ASN N N 112.332 0.3 1 412 166 144 ARG H H 7.879 0.020 1 413 166 144 ARG C C 174.665 0.3 1 414 166 144 ARG CA C 54.728 0.3 1 415 166 144 ARG CB C 30.968 0.3 1 416 166 144 ARG N N 116.128 0.3 1 417 167 145 GLY H H 7.714 0.020 1 418 167 145 GLY C C 173.947 0.3 1 419 167 145 GLY CA C 42.772 0.3 1 420 167 145 GLY N N 108.009 0.3 1 421 168 146 VAL H H 7.600 0.020 1 422 168 146 VAL C C 174.645 0.3 1 423 168 146 VAL CA C 63.075 0.3 1 424 168 146 VAL CB C 31.190 0.3 1 425 168 146 VAL N N 119.771 0.3 1 426 180 158 ARG H H 7.875 0.020 1 427 180 158 ARG CA C 58.743 0.3 1 428 180 158 ARG CB C 29.001 0.3 1 429 180 158 ARG N N 120.692 0.3 1 430 181 159 ASP H H 8.522 0.020 1 431 181 159 ASP C C 177.586 0.3 1 432 181 159 ASP CA C 55.151 0.3 1 433 181 159 ASP N N 120.542 0.3 1 434 182 160 VAL H H 7.074 0.020 1 435 182 160 VAL C C 173.101 0.3 1 436 182 160 VAL CA C 61.425 0.3 1 437 182 160 VAL CB C 28.820 0.3 1 438 182 160 VAL N N 117.384 0.3 1 439 183 161 THR H H 8.719 0.020 1 440 183 161 THR CA C 59.997 0.3 1 441 183 161 THR CB C 69.326 0.3 1 442 183 161 THR N N 121.891 0.3 1 443 184 162 LYS H H 7.614 0.020 1 444 184 162 LYS C C 174.750 0.3 1 445 184 162 LYS CA C 56.308 0.3 1 446 184 162 LYS CB C 32.066 0.3 1 447 184 162 LYS CG C 26.638 0.3 1 448 184 162 LYS CD C 30.649 0.3 1 449 184 162 LYS CE C 42.214 0.3 1 450 184 162 LYS N N 128.701 0.3 1 451 185 163 THR H H 7.914 0.020 1 452 185 163 THR C C 174.986 0.3 1 453 185 163 THR CA C 63.585 0.3 1 454 185 163 THR CB C 71.200 0.3 1 455 185 163 THR N N 118.468 0.3 1 456 186 164 ASN H H 8.745 0.020 1 457 186 164 ASN C C 175.880 0.3 1 458 186 164 ASN CA C 52.134 0.3 1 459 186 164 ASN CB C 44.719 0.3 1 460 186 164 ASN N N 125.469 0.3 1 461 187 165 THR H H 7.483 0.020 1 462 187 165 THR C C 174.265 0.3 1 463 187 165 THR CA C 65.690 0.3 1 464 187 165 THR CB C 68.220 0.3 1 465 187 165 THR N N 117.594 0.3 1 466 188 166 THR H H 7.542 0.020 1 467 188 166 THR C C 173.940 0.3 1 468 188 166 THR CA C 61.868 0.3 1 469 188 166 THR CB C 71.017 0.3 1 470 188 166 THR N N 107.994 0.3 1 471 189 167 ASP H H 8.283 0.020 1 472 189 167 ASP C C 177.639 0.3 1 473 189 167 ASP CA C 53.658 0.3 1 474 189 167 ASP CB C 41.959 0.3 1 475 189 167 ASP N N 126.058 0.3 1 476 190 168 VAL H H 9.091 0.020 1 477 190 168 VAL C C 177.661 0.3 1 478 190 168 VAL CA C 64.558 0.3 1 479 190 168 VAL CB C 30.541 0.3 1 480 190 168 VAL N N 123.231 0.3 1 481 191 169 ALA H H 9.317 0.020 1 482 191 169 ALA C C 175.353 0.3 1 483 191 169 ALA CA C 51.272 0.3 1 484 191 169 ALA CB C 18.515 0.3 1 485 191 169 ALA N N 127.476 0.3 1 486 192 170 THR H H 6.996 0.020 1 487 192 170 THR C C 174.762 0.3 1 488 192 170 THR CA C 62.769 0.3 1 489 192 170 THR CB C 68.531 0.3 1 490 192 170 THR N N 111.512 0.3 1 491 193 171 PHE H H 9.382 0.020 1 492 193 171 PHE C C 174.301 0.3 1 493 193 171 PHE CA C 60.566 0.3 1 494 193 171 PHE CB C 37.431 0.3 1 495 193 171 PHE N N 124.524 0.3 1 496 194 172 LYS H H 8.457 0.020 1 497 194 172 LYS C C 174.265 0.3 1 498 194 172 LYS CA C 54.230 0.3 1 499 194 172 LYS CB C 37.377 0.3 1 500 194 172 LYS CG C 25.164 0.3 1 501 194 172 LYS CD C 29.210 0.3 1 502 194 172 LYS CE C 41.953 0.3 1 503 194 172 LYS N N 122.533 0.3 1 504 195 173 SER H H 9.225 0.020 1 505 195 173 SER C C 176.752 0.3 1 506 195 173 SER CA C 57.306 0.3 1 507 195 173 SER CB C 62.286 0.3 1 508 195 173 SER N N 126.479 0.3 1 509 196 174 VAL H H 5.893 0.020 1 510 196 174 VAL C C 176.256 0.3 1 511 196 174 VAL CA C 63.212 0.3 1 512 196 174 VAL CB C 30.947 0.3 1 513 196 174 VAL CG1 C 20.624 0.3 1 514 196 174 VAL N N 112.141 0.3 1 515 197 175 ASN H H 9.611 0.020 1 516 197 175 ASN C C 176.419 0.3 1 517 197 175 ASN CA C 54.746 0.3 1 518 197 175 ASN CB C 40.146 0.3 1 519 197 175 ASN N N 118.373 0.3 1 520 198 176 TYR H H 9.014 0.020 1 521 198 176 TYR C C 173.992 0.3 1 522 198 176 TYR CA C 58.203 0.3 1 523 198 176 TYR CB C 39.413 0.3 1 524 198 176 TYR N N 118.943 0.3 1 525 199 177 GLY H H 7.304 0.020 1 526 199 177 GLY CA C 44.534 0.3 1 527 199 177 GLY N N 105.856 0.3 1 528 206 184 ASN H H 9.628 0.020 1 529 206 184 ASN C C 174.505 0.3 1 530 206 184 ASN CA C 53.327 0.3 1 531 206 184 ASN CB C 36.471 0.3 1 532 206 184 ASN N N 128.105 0.3 1 533 207 185 GLY H H 8.638 0.020 1 534 207 185 GLY C C 171.071 0.3 1 535 207 185 GLY CA C 45.386 0.3 1 536 207 185 GLY N N 102.598 0.3 1 537 208 186 LYS H H 7.518 0.020 1 538 208 186 LYS C C 174.582 0.3 1 539 208 186 LYS CA C 53.840 0.3 1 540 208 186 LYS CB C 34.379 0.3 1 541 208 186 LYS CG C 24.300 0.3 1 542 208 186 LYS CD C 28.659 0.3 1 543 208 186 LYS CE C 41.752 0.3 1 544 208 186 LYS N N 119.313 0.3 1 545 209 187 ILE H H 8.846 0.020 1 546 209 187 ILE C C 175.000 0.3 1 547 209 187 ILE CA C 58.537 0.3 1 548 209 187 ILE CB C 38.874 0.3 1 549 209 187 ILE N N 124.138 0.3 1 550 210 188 ASP H H 8.330 0.020 1 551 210 188 ASP C C 175.716 0.3 1 552 210 188 ASP CA C 51.479 0.3 1 553 210 188 ASP CB C 40.623 0.3 1 554 210 188 ASP N N 127.635 0.3 1 555 211 189 TYR H H 8.473 0.020 1 556 211 189 TYR C C 175.873 0.3 1 557 211 189 TYR CA C 58.566 0.3 1 558 211 189 TYR CB C 39.191 0.3 1 559 211 189 TYR N N 125.563 0.3 1 560 212 190 GLN H H 8.555 0.020 1 561 212 190 GLN C C 177.546 0.3 1 562 212 190 GLN CA C 58.407 0.3 1 563 212 190 GLN CB C 25.902 0.3 1 564 212 190 GLN N N 120.551 0.3 1 565 214 192 THR H H 8.244 0.020 1 566 214 192 THR C C 178.158 0.3 1 567 214 192 THR CA C 58.535 0.3 1 568 214 192 THR CB C 72.130 0.3 1 569 214 192 THR N N 114.904 0.3 1 570 215 193 PRO C C 175.716 0.3 1 571 215 193 PRO CA C 63.617 0.3 1 572 215 193 PRO CB C 31.351 0.3 1 573 216 194 ALA H H 7.407 0.020 1 574 216 194 ALA C C 178.884 0.3 1 575 216 194 ALA CA C 52.783 0.3 1 576 216 194 ALA CB C 20.316 0.3 1 577 216 194 ALA N N 123.815 0.3 1 578 217 195 ARG H H 7.957 0.020 1 579 217 195 ARG C C 176.258 0.3 1 580 217 195 ARG CA C 55.108 0.3 1 581 217 195 ARG CB C 29.322 0.3 1 582 217 195 ARG N N 116.120 0.3 1 583 218 196 LYS H H 7.264 0.020 1 584 218 196 LYS C C 174.605 0.3 1 585 218 196 LYS CA C 56.997 0.3 1 586 218 196 LYS CB C 33.430 0.3 1 587 218 196 LYS CG C 25.426 0.3 1 588 218 196 LYS CD C 28.604 0.3 1 589 218 196 LYS CE C 41.589 0.3 1 590 218 196 LYS N N 121.294 0.3 1 591 219 197 HIS H H 7.806 0.020 1 592 219 197 HIS C C 174.019 0.3 1 593 219 197 HIS CA C 53.861 0.3 1 594 219 197 HIS CB C 32.219 0.3 1 595 219 197 HIS N N 115.864 0.3 1 596 220 198 THR H H 9.615 0.020 1 597 220 198 THR C C 176.907 0.3 1 598 220 198 THR CA C 62.253 0.3 1 599 220 198 THR CB C 70.838 0.3 1 600 220 198 THR CG2 C 20.339 0.3 1 601 220 198 THR N N 109.697 0.3 1 602 221 199 SER H H 8.431 0.020 1 603 221 199 SER C C 174.486 0.3 1 604 221 199 SER CA C 60.470 0.3 1 605 221 199 SER CB C 62.214 0.3 1 606 221 199 SER N N 118.727 0.3 1 607 222 200 ASP H H 8.754 0.020 1 608 222 200 ASP C C 174.987 0.3 1 609 222 200 ASP CA C 53.776 0.3 1 610 222 200 ASP CB C 41.152 0.3 1 611 222 200 ASP N N 120.639 0.3 1 612 223 201 THR H H 7.326 0.020 1 613 223 201 THR C C 172.266 0.3 1 614 223 201 THR CA C 57.405 0.3 1 615 223 201 THR CB C 66.780 0.3 1 616 223 201 THR CG2 C 20.413 0.3 1 617 223 201 THR N N 109.902 0.3 1 618 225 203 PHE H H 6.520 0.020 1 619 225 203 PHE C C 173.414 0.3 1 620 225 203 PHE CA C 56.090 0.3 1 621 225 203 PHE CB C 37.440 0.3 1 622 225 203 PHE N N 119.718 0.3 1 623 226 204 ASP H H 7.890 0.020 1 624 226 204 ASP C C 176.582 0.3 1 625 226 204 ASP CA C 52.051 0.3 1 626 226 204 ASP CB C 42.403 0.3 1 627 226 204 ASP N N 122.853 0.3 1 628 227 205 VAL H H 8.815 0.020 1 629 227 205 VAL C C 175.767 0.3 1 630 227 205 VAL CA C 59.820 0.3 1 631 227 205 VAL CB C 30.062 0.3 1 632 227 205 VAL N N 118.629 0.3 1 633 228 206 SER H H 8.180 0.020 1 634 228 206 SER C C 177.913 0.3 1 635 228 206 SER CA C 62.102 0.3 1 636 228 206 SER CB C 62.988 0.3 1 637 228 206 SER N N 117.669 0.3 1 638 235 213 LYS H H 9.011 0.020 1 639 235 213 LYS C C 175.571 0.3 1 640 235 213 LYS CA C 55.850 0.3 1 641 235 213 LYS CB C 31.224 0.3 1 642 235 213 LYS CG C 24.232 0.3 1 643 235 213 LYS CD C 28.672 0.3 1 644 235 213 LYS CE C 41.352 0.3 1 645 235 213 LYS N N 123.887 0.3 1 646 236 214 VAL H H 9.303 0.020 1 647 236 214 VAL C C 174.465 0.3 1 648 236 214 VAL CA C 59.735 0.3 1 649 236 214 VAL CB C 35.068 0.3 1 650 236 214 VAL N N 125.934 0.3 1 651 237 215 GLY H H 8.629 0.020 1 652 237 215 GLY C C 176.248 0.3 1 653 237 215 GLY CA C 46.169 0.3 1 654 237 215 GLY N N 116.695 0.3 1 655 238 216 ILE H H 9.556 0.020 1 656 238 216 ILE CA C 63.431 0.3 1 657 238 216 ILE CB C 37.004 0.3 1 658 238 216 ILE CG1 C 23.842 0.3 1 659 238 216 ILE CG2 C 16.772 0.3 1 660 238 216 ILE CD1 C 14.441 0.3 1 661 238 216 ILE N N 118.247 0.3 1 662 244 222 ASN H H 7.790 0.020 1 663 244 222 ASN C C 175.130 0.3 1 664 244 222 ASN CA C 52.605 0.3 1 665 244 222 ASN CB C 43.852 0.3 1 666 244 222 ASN N N 117.665 0.3 1 667 245 223 ALA H H 5.302 0.020 1 668 245 223 ALA C C 175.538 0.3 1 669 245 223 ALA CA C 52.995 0.3 1 670 245 223 ALA CB C 16.835 0.3 1 671 245 223 ALA N N 119.093 0.3 1 672 249 227 PRO CA C 66.606 0.3 1 673 249 227 PRO CB C 31.238 0.3 1 674 249 227 PRO CG C 28.183 0.3 1 675 249 227 PRO CD C 49.341 0.3 1 676 250 228 ALA H H 7.397 0.020 1 677 250 228 ALA C C 177.713 0.3 1 678 250 228 ALA CA C 54.463 0.3 1 679 250 228 ALA CB C 17.096 0.3 1 680 250 228 ALA N N 116.448 0.3 1 681 251 229 LYS H H 8.473 0.020 1 682 251 229 LYS C C 177.325 0.3 1 683 251 229 LYS CA C 59.071 0.3 1 684 251 229 LYS CB C 32.423 0.3 1 685 251 229 LYS CG C 25.611 0.3 1 686 251 229 LYS CD C 28.963 0.3 1 687 251 229 LYS CE C 41.648 0.3 1 688 251 229 LYS N N 117.680 0.3 1 689 252 230 ALA H H 8.338 0.020 1 690 252 230 ALA C C 177.498 0.3 1 691 252 230 ALA CA C 54.221 0.3 1 692 252 230 ALA CB C 17.920 0.3 1 693 252 230 ALA N N 119.127 0.3 1 694 253 231 LEU H H 10.245 0.020 1 695 253 231 LEU C C 176.280 0.3 1 696 253 231 LEU CA C 54.279 0.3 1 697 253 231 LEU CB C 38.346 0.3 1 698 253 231 LEU N N 120.634 0.3 1 699 255 233 ASP H H 8.977 0.020 1 700 255 233 ASP C C 176.716 0.3 1 701 255 233 ASP CA C 56.396 0.3 1 702 255 233 ASP CB C 39.158 0.3 1 703 255 233 ASP N N 123.042 0.3 1 704 256 234 ALA H H 7.197 0.020 1 705 256 234 ALA C C 177.124 0.3 1 706 256 234 ALA CA C 51.427 0.3 1 707 256 234 ALA CB C 19.098 0.3 1 708 256 234 ALA N N 119.332 0.3 1 709 257 235 GLY H H 8.132 0.020 1 710 257 235 GLY C C 174.592 0.3 1 711 257 235 GLY CA C 45.681 0.3 1 712 257 235 GLY N N 107.989 0.3 1 713 258 236 TYR H H 7.857 0.020 1 714 258 236 TYR C C 174.454 0.3 1 715 258 236 TYR CA C 61.249 0.3 1 716 258 236 TYR CB C 35.974 0.3 1 717 258 236 TYR N N 120.652 0.3 1 718 259 237 ASP H H 7.920 0.020 1 719 259 237 ASP C C 176.198 0.3 1 720 259 237 ASP CA C 56.546 0.3 1 721 259 237 ASP CB C 42.947 0.3 1 722 259 237 ASP N N 120.962 0.3 1 723 264 242 ALA CA C 49.354 0.3 1 724 264 242 ALA CB C 16.353 0.3 1 725 265 243 GLY CA C 44.326 0.3 1 726 265 243 GLY N N 110.853 0.3 1 727 266 244 VAL H H 8.398 0.020 1 728 266 244 VAL C C 175.135 0.3 1 729 266 244 VAL CA C 58.649 0.3 1 730 266 244 VAL CB C 31.700 0.3 1 731 266 244 VAL N N 110.819 0.3 1 732 267 245 GLY H H 9.293 0.020 1 733 267 245 GLY C C 173.532 0.3 1 734 267 245 GLY CA C 46.170 0.3 1 735 267 245 GLY N N 110.620 0.3 1 736 268 246 ASN H H 9.570 0.020 1 737 268 246 ASN C C 174.786 0.3 1 738 268 246 ASN CA C 50.466 0.3 1 739 268 246 ASN CB C 34.204 0.3 1 740 268 246 ASN N N 130.373 0.3 1 741 269 247 GLY H H 7.776 0.020 1 742 269 247 GLY C C 175.641 0.3 1 743 269 247 GLY CA C 46.398 0.3 1 744 269 247 GLY N N 105.337 0.3 1 745 270 248 ASN H H 8.956 0.020 1 746 270 248 ASN C C 173.463 0.3 1 747 270 248 ASN CA C 53.369 0.3 1 748 270 248 ASN CB C 39.861 0.3 1 749 270 248 ASN N N 122.965 0.3 1 750 271 249 LEU H H 8.499 0.020 1 751 271 249 LEU C C 174.515 0.3 1 752 271 249 LEU CA C 53.552 0.3 1 753 271 249 LEU CB C 44.550 0.3 1 754 271 249 LEU N N 118.010 0.3 1 755 272 250 TYR H H 8.096 0.020 1 756 272 250 TYR C C 177.884 0.3 1 757 272 250 TYR CA C 58.764 0.3 1 758 272 250 TYR CB C 39.253 0.3 1 759 272 250 TYR N N 123.638 0.3 1 760 273 251 LYS H H 7.089 0.020 1 761 273 251 LYS C C 175.744 0.3 1 762 273 251 LYS CA C 59.775 0.3 1 763 273 251 LYS CB C 31.712 0.3 1 764 273 251 LYS CG C 23.569 0.3 1 765 273 251 LYS CD C 27.539 0.3 1 766 273 251 LYS CE C 41.604 0.3 1 767 273 251 LYS N N 129.382 0.3 1 768 274 252 SER H H 6.438 0.020 1 769 274 252 SER C C 176.340 0.3 1 770 274 252 SER CA C 61.034 0.3 1 771 274 252 SER CB C 62.173 0.3 1 772 274 252 SER N N 113.164 0.3 1 773 275 253 VAL H H 7.326 0.020 1 774 275 253 VAL C C 176.502 0.3 1 775 275 253 VAL CA C 66.264 0.3 1 776 275 253 VAL CB C 30.903 0.3 1 777 275 253 VAL CG1 C 22.660 0.3 1 778 275 253 VAL CG2 C 20.407 0.3 1 779 275 253 VAL N N 125.901 0.3 1 780 276 254 PHE H H 8.659 0.020 1 781 276 254 PHE C C 176.912 0.3 1 782 276 254 PHE CA C 60.159 0.3 1 783 276 254 PHE CB C 38.377 0.3 1 784 276 254 PHE N N 121.499 0.3 1 785 277 255 ASP H H 8.462 0.020 1 786 277 255 ASP C C 178.532 0.3 1 787 277 255 ASP CA C 57.437 0.3 1 788 277 255 ASP CB C 40.375 0.3 1 789 277 255 ASP N N 118.207 0.3 1 790 278 256 THR H H 7.435 0.020 1 791 278 256 THR C C 176.628 0.3 1 792 278 256 THR CA C 66.707 0.3 1 793 278 256 THR CB C 69.073 0.3 1 794 278 256 THR CG2 C 21.062 0.3 1 795 278 256 THR N N 116.733 0.3 1 796 279 257 LEU H H 8.555 0.020 1 797 279 257 LEU C C 177.663 0.3 1 798 279 257 LEU CA C 57.178 0.3 1 799 279 257 LEU CB C 38.378 0.3 1 800 279 257 LEU N N 122.009 0.3 1 801 280 258 ALA H H 9.329 0.020 1 802 280 258 ALA C C 180.431 0.3 1 803 280 258 ALA CA C 55.042 0.3 1 804 280 258 ALA CB C 17.439 0.3 1 805 280 258 ALA N N 123.811 0.3 1 806 281 259 THR H H 7.646 0.020 1 807 281 259 THR C C 175.857 0.3 1 808 281 259 THR CA C 66.087 0.3 1 809 281 259 THR CB C 68.622 0.3 1 810 281 259 THR N N 116.097 0.3 1 811 282 260 ALA H H 8.027 0.020 1 812 282 260 ALA C C 179.231 0.3 1 813 282 260 ALA CA C 54.233 0.3 1 814 282 260 ALA CB C 16.848 0.3 1 815 282 260 ALA N N 125.245 0.3 1 816 283 261 ALA H H 8.652 0.020 1 817 283 261 ALA C C 180.782 0.3 1 818 283 261 ALA CA C 53.862 0.3 1 819 283 261 ALA CB C 17.752 0.3 1 820 283 261 ALA N N 122.283 0.3 1 821 284 262 LYS H H 7.518 0.020 1 822 284 262 LYS C C 176.825 0.3 1 823 284 262 LYS CA C 57.464 0.3 1 824 284 262 LYS CB C 32.212 0.3 1 825 284 262 LYS CG C 24.501 0.3 1 826 284 262 LYS CD C 28.905 0.3 1 827 284 262 LYS CE C 41.537 0.3 1 828 284 262 LYS N N 117.926 0.3 1 829 285 263 THR H H 7.684 0.020 1 830 285 263 THR C C 174.253 0.3 1 831 285 263 THR CA C 60.966 0.3 1 832 285 263 THR CB C 69.474 0.3 1 833 285 263 THR CG2 C 19.235 0.3 1 834 285 263 THR N N 108.194 0.3 1 835 286 264 GLY H H 7.550 0.020 1 836 286 264 GLY C C 173.978 0.3 1 837 286 264 GLY CA C 44.975 0.3 1 838 286 264 GLY N N 107.957 0.3 1 839 287 265 THR H H 8.015 0.020 1 840 287 265 THR C C 172.355 0.3 1 841 287 265 THR CA C 63.683 0.3 1 842 287 265 THR CB C 68.641 0.3 1 843 287 265 THR N N 122.165 0.3 1 844 288 266 ALA H H 7.888 0.020 1 845 288 266 ALA C C 175.362 0.3 1 846 288 266 ALA CA C 51.399 0.3 1 847 288 266 ALA CB C 19.955 0.3 1 848 288 266 ALA N N 129.938 0.3 1 849 289 267 VAL H H 9.212 0.020 1 850 289 267 VAL C C 173.978 0.3 1 851 289 267 VAL CA C 60.575 0.3 1 852 289 267 VAL CB C 34.243 0.3 1 853 289 267 VAL N N 124.504 0.3 1 854 291 269 ARG H H 9.342 0.020 1 855 291 269 ARG CA C 57.099 0.3 1 856 291 269 ARG N N 125.998 0.3 1 857 293 271 SER H H 8.722 0.020 1 858 293 271 SER C C 173.946 0.3 1 859 293 271 SER CA C 55.716 0.3 1 860 293 271 SER CB C 63.130 0.3 1 861 293 271 SER N N 115.261 0.3 1 862 294 272 ARG H H 9.533 0.020 1 863 294 272 ARG C C 174.654 0.3 1 864 294 272 ARG CA C 54.852 0.3 1 865 294 272 ARG CB C 28.158 0.3 1 866 294 272 ARG N N 125.734 0.3 1 867 295 273 VAL H H 9.070 0.020 1 868 295 273 VAL C C 175.665 0.3 1 869 295 273 VAL CA C 60.283 0.3 1 870 295 273 VAL CB C 35.105 0.3 1 871 295 273 VAL N N 125.037 0.3 1 872 296 274 PRO C C 176.516 0.3 1 873 297 275 THR H H 7.235 0.020 1 874 297 275 THR C C 172.879 0.3 1 875 297 275 THR CA C 59.384 0.3 1 876 297 275 THR CB C 72.058 0.3 1 877 297 275 THR CG2 C 21.137 0.3 1 878 297 275 THR N N 108.111 0.3 1 879 298 276 GLY H H 8.513 0.020 1 880 298 276 GLY C C 171.774 0.3 1 881 298 276 GLY CA C 43.083 0.3 1 882 298 276 GLY N N 109.490 0.3 1 883 299 277 ALA H H 7.686 0.020 1 884 299 277 ALA C C 177.667 0.3 1 885 299 277 ALA CA C 49.801 0.3 1 886 299 277 ALA CB C 19.440 0.3 1 887 299 277 ALA N N 118.689 0.3 1 888 300 278 THR H H 7.865 0.020 1 889 300 278 THR C C 176.369 0.3 1 890 300 278 THR CA C 62.751 0.3 1 891 300 278 THR CB C 66.058 0.3 1 892 300 278 THR N N 121.618 0.3 1 893 301 279 THR H H 8.863 0.020 1 894 301 279 THR C C 176.481 0.3 1 895 301 279 THR CA C 60.436 0.3 1 896 301 279 THR CB C 69.959 0.3 1 897 301 279 THR CG2 C 20.836 0.3 1 898 301 279 THR N N 119.441 0.3 1 899 302 280 GLN H H 8.277 0.020 1 900 302 280 GLN C C 175.731 0.3 1 901 302 280 GLN CA C 55.688 0.3 1 902 302 280 GLN CB C 29.619 0.3 1 903 302 280 GLN N N 119.235 0.3 1 904 303 281 ASP H H 9.077 0.020 1 905 303 281 ASP C C 173.159 0.3 1 906 303 281 ASP CA C 52.355 0.3 1 907 303 281 ASP CB C 40.130 0.3 1 908 303 281 ASP N N 118.676 0.3 1 909 304 282 ALA H H 8.177 0.020 1 910 304 282 ALA C C 177.605 0.3 1 911 304 282 ALA CA C 51.434 0.3 1 912 304 282 ALA CB C 18.397 0.3 1 913 304 282 ALA N N 124.195 0.3 1 914 305 283 GLU H H 8.176 0.020 1 915 305 283 GLU C C 175.934 0.3 1 916 305 283 GLU CA C 57.429 0.3 1 917 305 283 GLU CB C 29.568 0.3 1 918 305 283 GLU N N 119.557 0.3 1 919 306 284 VAL H H 7.481 0.020 1 920 306 284 VAL C C 175.002 0.3 1 921 306 284 VAL CA C 59.069 0.3 1 922 306 284 VAL CB C 32.720 0.3 1 923 306 284 VAL N N 117.836 0.3 1 924 307 285 ASP H H 8.290 0.020 1 925 307 285 ASP C C 174.359 0.3 1 926 307 285 ASP CA C 52.027 0.3 1 927 307 285 ASP CB C 38.265 0.3 1 928 307 285 ASP N N 127.481 0.3 1 929 308 286 ASP H H 7.899 0.020 1 930 308 286 ASP C C 178.220 0.3 1 931 308 286 ASP CA C 58.766 0.3 1 932 308 286 ASP CB C 40.452 0.3 1 933 308 286 ASP N N 126.655 0.3 1 934 309 287 ALA H H 8.399 0.020 1 935 309 287 ALA C C 179.156 0.3 1 936 309 287 ALA CA C 53.932 0.3 1 937 309 287 ALA CB C 17.629 0.3 1 938 309 287 ALA N N 121.069 0.3 1 939 310 288 LYS H H 7.268 0.020 1 940 310 288 LYS C C 176.898 0.3 1 941 310 288 LYS CA C 57.682 0.3 1 942 310 288 LYS CB C 32.030 0.3 1 943 310 288 LYS CG C 24.179 0.3 1 944 310 288 LYS CD C 29.025 0.3 1 945 310 288 LYS CE C 41.397 0.3 1 946 310 288 LYS N N 118.894 0.3 1 947 311 289 TYR H H 6.831 0.020 1 948 311 289 TYR C C 174.623 0.3 1 949 311 289 TYR CA C 58.412 0.3 1 950 311 289 TYR CB C 37.237 0.3 1 951 311 289 TYR N N 113.482 0.3 1 952 312 290 GLY H H 7.845 0.020 1 953 312 290 GLY C C 173.608 0.3 1 954 312 290 GLY CA C 45.276 0.3 1 955 312 290 GLY N N 107.424 0.3 1 956 313 291 PHE H H 7.445 0.020 1 957 313 291 PHE C C 174.924 0.3 1 958 313 291 PHE CA C 52.007 0.3 1 959 313 291 PHE CB C 39.068 0.3 1 960 313 291 PHE N N 116.880 0.3 1 961 314 292 VAL H H 7.914 0.020 1 962 314 292 VAL C C 173.199 0.3 1 963 314 292 VAL CA C 59.979 0.3 1 964 314 292 VAL CB C 34.219 0.3 1 965 314 292 VAL N N 120.135 0.3 1 966 315 293 ALA H H 9.188 0.020 1 967 315 293 ALA C C 178.736 0.3 1 968 315 293 ALA CA C 50.849 0.3 1 969 315 293 ALA CB C 19.256 0.3 1 970 315 293 ALA N N 130.972 0.3 1 971 317 295 GLY H H 8.559 0.020 1 972 317 295 GLY CA C 46.199 0.3 1 973 317 295 GLY N N 116.124 0.3 1 974 318 296 THR H H 9.364 0.020 1 975 318 296 THR CA C 63.082 0.3 1 976 318 296 THR CB C 69.027 0.3 1 977 318 296 THR N N 117.947 0.3 1 978 319 297 LEU H H 6.960 0.020 1 979 319 297 LEU CA C 54.789 0.3 1 980 319 297 LEU CB C 41.047 0.3 1 981 319 297 LEU N N 120.341 0.3 1 982 320 298 ASN H H 7.328 0.020 1 983 320 298 ASN C C 172.606 0.3 1 984 320 298 ASN CA C 51.229 0.3 1 985 320 298 ASN CB C 35.974 0.3 1 986 320 298 ASN N N 124.864 0.3 1 987 323 301 LYS H H 8.000 0.020 1 988 323 301 LYS C C 177.333 0.3 1 989 323 301 LYS CA C 59.168 0.3 1 990 323 301 LYS CB C 33.862 0.3 1 991 323 301 LYS CG C 26.723 0.3 1 992 323 301 LYS CD C 29.381 0.3 1 993 323 301 LYS CE C 44.062 0.3 1 994 323 301 LYS N N 124.448 0.3 1 995 333 311 THR H H 7.576 0.020 1 996 333 311 THR C C 174.095 0.3 1 997 333 311 THR CA C 63.190 0.3 1 998 333 311 THR CB C 70.523 0.3 1 999 333 311 THR N N 110.337 0.3 1 1000 334 312 GLN H H 8.062 0.020 1 1001 334 312 GLN C C 174.708 0.3 1 1002 334 312 GLN CA C 55.258 0.3 1 1003 334 312 GLN CB C 30.748 0.3 1 1004 334 312 GLN CG C 33.018 0.3 1 1005 334 312 GLN CD C 178.875 0.3 1 1006 334 312 GLN N N 119.200 0.3 1 1007 335 313 THR H H 8.523 0.020 1 1008 335 313 THR C C 168.787 0.3 1 1009 335 313 THR CA C 59.869 0.3 1 1010 335 313 THR CB C 67.689 0.3 1 1011 335 313 THR CG2 C 18.593 0.3 1 1012 335 313 THR N N 116.205 0.3 1 1013 336 314 LYS H H 8.096 0.020 1 1014 336 314 LYS C C 175.544 0.3 1 1015 336 314 LYS CA C 53.924 0.3 1 1016 336 314 LYS CB C 33.041 0.3 1 1017 336 314 LYS CG C 24.959 0.3 1 1018 336 314 LYS CD C 28.734 0.3 1 1019 336 314 LYS CE C 41.867 0.3 1 1020 336 314 LYS N N 120.788 0.3 1 1021 337 315 ASP H H 8.464 0.020 1 1022 337 315 ASP C C 174.522 0.3 1 1023 337 315 ASP CA C 51.074 0.3 1 1024 337 315 ASP CB C 42.013 0.3 1 1025 337 315 ASP N N 125.156 0.3 1 1026 338 316 PRO C C 177.761 0.3 1 1027 338 316 PRO CA C 65.130 0.3 1 1028 338 316 PRO CB C 31.447 0.3 1 1029 338 316 PRO CG C 27.378 0.3 1 1030 338 316 PRO CD C 50.752 0.3 1 1031 339 317 GLN H H 8.056 0.020 1 1032 339 317 GLN C C 179.117 0.3 1 1033 339 317 GLN CA C 58.670 0.3 1 1034 339 317 GLN CB C 27.921 0.3 1 1035 339 317 GLN CG C 33.847 0.3 1 1036 339 317 GLN CD C 180.529 0.3 1 1037 339 317 GLN N N 116.986 0.3 1 1038 340 318 GLN H H 7.685 0.020 1 1039 340 318 GLN C C 178.959 0.3 1 1040 340 318 GLN CA C 57.698 0.3 1 1041 340 318 GLN CB C 28.822 0.3 1 1042 340 318 GLN N N 120.349 0.3 1 1043 341 319 ILE H H 8.787 0.020 1 1044 341 319 ILE C C 177.619 0.3 1 1045 341 319 ILE CA C 65.972 0.3 1 1046 341 319 ILE CB C 36.347 0.3 1 1047 341 319 ILE CG1 C 29.784 0.3 1 1048 341 319 ILE CG2 C 18.537 0.3 1 1049 341 319 ILE CD1 C 11.995 0.3 1 1050 341 319 ILE N N 122.177 0.3 1 1051 342 320 GLN H H 8.732 0.020 1 1052 342 320 GLN C C 177.451 0.3 1 1053 342 320 GLN CA C 58.160 0.3 1 1054 342 320 GLN CB C 28.126 0.3 1 1055 342 320 GLN CG C 35.658 0.3 1 1056 342 320 GLN N N 121.207 0.3 1 1057 343 321 GLN H H 7.689 0.020 1 1058 343 321 GLN C C 177.591 0.3 1 1059 343 321 GLN CA C 58.969 0.3 1 1060 343 321 GLN CB C 27.447 0.3 1 1061 343 321 GLN N N 118.885 0.3 1 1062 344 322 ILE H H 8.046 0.020 1 1063 344 322 ILE C C 178.445 0.3 1 1064 344 322 ILE CA C 66.083 0.3 1 1065 344 322 ILE CB C 37.520 0.3 1 1066 344 322 ILE CG1 C 30.562 0.3 1 1067 344 322 ILE CG2 C 17.538 0.3 1 1068 344 322 ILE CD1 C 13.246 0.3 1 1069 344 322 ILE N N 121.934 0.3 1 stop_ save_