data_27588 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assignment of E.coli asparaginase (ANSII) by solution NMR ; _BMRB_accession_number 27588 _BMRB_flat_file_name bmr27588.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" 340 "13C chemical shifts" 561 "15N chemical shifts" 186 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 27589 'crystalline E.coli asparaginase II (ANSII) by solid-state 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 NMR 'PEGylated protein therapeutics' 'asparaginase II' '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 solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $ANSII 0.75 mM 0.5 1 '[U-100% 2H; U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 mM . . 'natural abundance' 'sodium azide' 0.02 % . . 'natural abundance' pefabloc 0.1 mg/mL . . 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $ANSII 0.75 mM 0.5 1 '[U-100% 2H; Lys U-100% 1H, 13C, 15N]' 'sodium phosphate' 20 mM . . 'natural abundance' 'sodium azide' 0.02 % . . 'natural abundance' pefabloc 0.1 mg/mL . . 'natural abundance' 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 Avance _Field_strength 950 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_TROSY_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY HSQC' _Sample_label $sample_1 save_ save_3D_tr-HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D tr-HNCA' _Sample_label $sample_1 save_ save_3D_tr-HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D tr-HNCACB' _Sample_label $sample_1 save_ save_3D_tr-HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D tr-HNCO' _Sample_label $sample_1 save_ save_3D_tr-HN(CA)CO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D tr-HN(CA)CO' _Sample_label $sample_1 save_ save_3D_1H-15N_TROSY-NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TROSY-NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_1H-1H-1H_NOESY-NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-1H-1H NOESY-NOESY' _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' 0.02 . M pH 7.5 . pH pressure 1 . atm temperature 310 . 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 TROSY HSQC' '3D tr-HNCA' '3D tr-HNCACB' '3D tr-HNCO' '3D tr-HN(CA)CO' '3D 1H-15N TROSY-NOESY' '3D 1H-15N NOESY' '3D 1H-1H-1H NOESY-NOESY' 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 24 2 PRO C C 174.448 0.3 1 2 24 2 PRO CA C 62.161 0.3 1 3 24 2 PRO CB C 31.505 0.3 1 4 25 3 ASN H H 9.842 0.020 1 5 25 3 ASN HD21 H 7.691 0.020 1 6 25 3 ASN HD22 H 6.643 0.020 1 7 25 3 ASN C C 173.319 0.3 1 8 25 3 ASN CA C 52.032 0.3 1 9 25 3 ASN CB C 38.601 0.3 1 10 25 3 ASN N N 122.418 0.3 1 11 25 3 ASN ND2 N 114.880 0.3 1 12 26 4 ILE H H 8.144 0.020 1 13 26 4 ILE C C 174.640 0.3 1 14 26 4 ILE CA C 55.820 0.3 1 15 26 4 ILE CB C 38.261 0.3 1 16 26 4 ILE N N 123.993 0.3 1 17 28 6 ILE H H 9.320 0.020 1 18 28 6 ILE C C 174.650 0.3 1 19 28 6 ILE CA C 59.052 0.3 1 20 28 6 ILE CB C 37.513 0.3 1 21 28 6 ILE N N 127.953 0.3 1 22 30 8 ALA H H 8.768 0.020 1 23 30 8 ALA C C 179.068 0.3 1 24 30 8 ALA CA C 50.675 0.3 1 25 30 8 ALA CB C 21.143 0.3 1 26 30 8 ALA N N 124.850 0.3 1 27 31 9 THR H H 7.243 0.020 1 28 31 9 THR C C 178.925 0.3 1 29 31 9 THR CA C 60.761 0.3 1 30 31 9 THR CB C 69.823 0.3 1 31 31 9 THR N N 107.067 0.3 1 32 57 35 LEU H H 7.542 0.020 1 33 57 35 LEU C C 177.755 0.3 1 34 57 35 LEU CA C 57.813 0.3 1 35 57 35 LEU CB C 40.960 0.3 1 36 57 35 LEU N N 121.825 0.3 1 37 58 36 VAL H H 7.675 0.020 1 38 58 36 VAL C C 176.978 0.3 1 39 58 36 VAL CA C 64.182 0.3 1 40 58 36 VAL CB C 30.314 0.3 1 41 58 36 VAL N N 114.065 0.3 1 42 59 37 ASN H H 7.521 0.020 1 43 59 37 ASN C C 176.271 0.3 1 44 59 37 ASN CA C 54.277 0.3 1 45 59 37 ASN CB C 37.873 0.3 1 46 59 37 ASN N N 116.387 0.3 1 47 60 38 ALA H H 7.443 0.020 1 48 60 38 ALA C C 177.561 0.3 1 49 60 38 ALA CA C 53.155 0.3 1 50 60 38 ALA CB C 18.463 0.3 1 51 60 38 ALA N N 120.678 0.3 1 52 61 39 VAL H H 7.591 0.020 1 53 61 39 VAL C C 177.616 0.3 1 54 61 39 VAL CA C 58.652 0.3 1 55 61 39 VAL CB C 30.736 0.3 1 56 61 39 VAL N N 117.301 0.3 1 57 62 40 PRO C C 179.150 0.3 1 58 62 40 PRO CA C 64.538 0.3 1 59 62 40 PRO CB C 30.701 0.3 1 60 63 41 GLN H H 9.157 0.020 1 61 63 41 GLN C C 178.455 0.3 1 62 63 41 GLN CA C 58.756 0.3 1 63 63 41 GLN CB C 27.014 0.3 1 64 63 41 GLN CG C 34.054 0.3 1 65 63 41 GLN CD C 180.716 0.3 1 66 63 41 GLN N N 118.673 0.3 1 67 64 42 LEU H H 8.285 0.020 1 68 64 42 LEU C C 178.507 0.3 1 69 64 42 LEU CA C 57.626 0.3 1 70 64 42 LEU CB C 41.582 0.3 1 71 64 42 LEU N N 117.402 0.3 1 72 65 43 LYS H H 7.462 0.020 1 73 65 43 LYS HA H 4.349 0.020 1 74 65 43 LYS HB2 H 1.832 0.020 1 75 65 43 LYS HB3 H 1.832 0.020 1 76 65 43 LYS HG2 H 1.527 0.020 1 77 65 43 LYS HG3 H 1.527 0.020 1 78 65 43 LYS HD2 H 1.672 0.020 1 79 65 43 LYS HD3 H 1.672 0.020 1 80 65 43 LYS HE2 H 2.958 0.020 1 81 65 43 LYS HE3 H 2.958 0.020 1 82 65 43 LYS C C 177.007 0.3 1 83 65 43 LYS CA C 57.570 0.3 1 84 65 43 LYS CB C 31.195 0.3 1 85 65 43 LYS N N 113.305 0.3 1 86 66 44 ASP H H 7.269 0.020 1 87 66 44 ASP C C 176.396 0.3 1 88 66 44 ASP CA C 55.051 0.3 1 89 66 44 ASP CB C 40.820 0.3 1 90 66 44 ASP CG C 180.100 0.3 1 91 66 44 ASP N N 115.396 0.3 1 92 67 45 ILE H H 7.413 0.020 1 93 67 45 ILE C C 174.830 0.3 1 94 67 45 ILE CA C 59.970 0.3 1 95 67 45 ILE CB C 39.134 0.3 1 96 67 45 ILE N N 113.174 0.3 1 97 68 46 ALA H H 7.880 0.020 1 98 68 46 ALA C C 174.426 0.3 1 99 68 46 ALA CA C 51.023 0.3 1 100 68 46 ALA CB C 21.392 0.3 1 101 68 46 ALA N N 119.347 0.3 1 102 69 47 ASN H H 8.730 0.020 1 103 69 47 ASN HD21 H 7.131 0.020 1 104 69 47 ASN HD22 H 6.834 0.020 1 105 69 47 ASN C C 174.968 0.3 1 106 69 47 ASN CA C 51.909 0.3 1 107 69 47 ASN CB C 37.632 0.3 1 108 69 47 ASN N N 117.899 0.3 1 109 70 48 VAL H H 8.416 0.020 1 110 70 48 VAL C C 175.379 0.3 1 111 70 48 VAL CA C 60.894 0.3 1 112 70 48 VAL CB C 32.434 0.3 1 113 70 48 VAL N N 124.394 0.3 1 114 71 49 LYS H H 8.307 0.020 1 115 71 49 LYS HA H 4.649 0.020 1 116 71 49 LYS HB2 H 1.789 0.020 1 117 71 49 LYS HB3 H 1.789 0.020 1 118 71 49 LYS HG2 H 1.344 0.020 1 119 71 49 LYS HG3 H 1.344 0.020 1 120 71 49 LYS HD2 H 1.612 0.020 1 121 71 49 LYS HD3 H 1.612 0.020 1 122 71 49 LYS HE2 H 2.915 0.020 1 123 71 49 LYS HE3 H 2.915 0.020 1 124 71 49 LYS C C 174.697 0.3 1 125 71 49 LYS CA C 54.283 0.3 1 126 71 49 LYS CB C 34.457 0.3 1 127 71 49 LYS N N 126.624 0.3 1 128 72 50 GLY H H 8.634 0.020 1 129 72 50 GLY C C 172.635 0.3 1 130 72 50 GLY CA C 44.791 0.3 1 131 72 50 GLY N N 109.283 0.3 1 132 73 51 GLU H H 8.918 0.020 1 133 73 51 GLU C C 173.893 0.3 1 134 73 51 GLU CA C 55.012 0.3 1 135 73 51 GLU CB C 33.184 0.3 1 136 73 51 GLU N N 120.401 0.3 1 137 74 52 GLN H H 9.082 0.020 1 138 74 52 GLN CA C 54.631 0.3 1 139 74 52 GLN N N 126.761 0.3 1 140 75 53 VAL H H 8.665 0.020 1 141 75 53 VAL C C 175.520 0.3 1 142 75 53 VAL CA C 64.615 0.3 1 143 75 53 VAL CB C 32.234 0.3 1 144 75 53 VAL N N 128.942 0.3 1 145 76 54 VAL H H 7.609 0.020 1 146 76 54 VAL C C 173.504 0.3 1 147 76 54 VAL CA C 59.048 0.3 1 148 76 54 VAL CB C 34.829 0.3 1 149 76 54 VAL N N 111.111 0.3 1 150 77 55 ASN H H 8.623 0.020 1 151 77 55 ASN CA C 60.519 0.3 1 152 77 55 ASN N N 121.023 0.3 1 153 81 59 GLN H H 10.011 0.020 1 154 81 59 GLN C C 173.829 0.3 1 155 81 59 GLN CA C 57.577 0.3 1 156 81 59 GLN CB C 25.185 0.3 1 157 81 59 GLN N N 128.063 0.3 1 158 82 60 ASP H H 7.617 0.020 1 159 82 60 ASP C C 175.624 0.3 1 160 82 60 ASP CA C 53.725 0.3 1 161 82 60 ASP CB C 40.120 0.3 1 162 82 60 ASP N N 119.349 0.3 1 163 83 61 MET H H 7.175 0.020 1 164 83 61 MET C C 172.500 0.3 1 165 83 61 MET CA C 54.513 0.3 1 166 83 61 MET CB C 29.826 0.3 1 167 83 61 MET N N 120.121 0.3 1 168 84 62 ASN H H 6.383 0.020 1 169 84 62 ASN HD21 H 7.293 0.020 1 170 84 62 ASN HD22 H 6.822 0.020 1 171 84 62 ASN C C 173.429 0.3 1 172 84 62 ASN CA C 51.754 0.3 1 173 84 62 ASN CB C 40.815 0.3 1 174 84 62 ASN N N 113.308 0.3 1 175 84 62 ASN ND2 N 113.221 0.3 1 176 85 63 ASP H H 8.621 0.020 1 177 85 63 ASP C C 177.418 0.3 1 178 85 63 ASP CA C 55.973 0.3 1 179 85 63 ASP CB C 40.754 0.3 1 180 85 63 ASP N N 117.758 0.3 1 181 86 64 ASN H H 7.898 0.020 1 182 86 64 ASN C C 178.768 0.3 1 183 86 64 ASN CA C 56.281 0.3 1 184 86 64 ASN CB C 37.749 0.3 1 185 86 64 ASN N N 115.379 0.3 1 186 87 65 VAL H H 7.556 0.020 1 187 87 65 VAL C C 177.634 0.3 1 188 87 65 VAL CA C 65.911 0.3 1 189 87 65 VAL CB C 30.500 0.3 1 190 87 65 VAL N N 122.107 0.3 1 191 88 66 TRP H H 7.219 0.020 1 192 88 66 TRP C C 177.517 0.3 1 193 88 66 TRP CA C 58.716 0.3 1 194 88 66 TRP CB C 26.036 0.3 1 195 88 66 TRP N N 121.182 0.3 1 196 89 67 LEU H H 8.079 0.020 1 197 89 67 LEU C C 178.661 0.3 1 198 89 67 LEU CA C 58.168 0.3 1 199 89 67 LEU CB C 41.147 0.3 1 200 89 67 LEU N N 117.477 0.3 1 201 90 68 THR H H 7.870 0.020 1 202 90 68 THR CA C 66.561 0.3 1 203 90 68 THR CB C 68.056 0.3 1 204 90 68 THR N N 115.373 0.3 1 205 93 71 LYS H H 7.771 0.020 1 206 93 71 LYS HA H 4.329 0.020 1 207 93 71 LYS HB2 H 2.026 0.020 1 208 93 71 LYS HB3 H 2.026 0.020 1 209 93 71 LYS HG2 H 1.292 0.020 1 210 93 71 LYS HG3 H 1.292 0.020 1 211 93 71 LYS HD2 H 1.648 0.020 1 212 93 71 LYS HD3 H 1.648 0.020 1 213 93 71 LYS C C 179.488 0.3 1 214 93 71 LYS CA C 59.266 0.3 1 215 93 71 LYS CB C 31.979 0.3 1 216 93 71 LYS N N 114.065 0.3 1 217 94 72 LYS H H 7.909 0.020 1 218 94 72 LYS HB2 H 1.735 0.020 1 219 94 72 LYS HB3 H 1.735 0.020 1 220 94 72 LYS HG2 H 0.905 0.020 1 221 94 72 LYS HG3 H 0.905 0.020 1 222 94 72 LYS C C 177.241 0.3 1 223 94 72 LYS CA C 58.169 0.3 1 224 94 72 LYS CB C 31.278 0.3 1 225 94 72 LYS N N 121.908 0.3 1 226 96 74 ASN H H 7.903 0.020 1 227 96 74 ASN C C 179.020 0.3 1 228 96 74 ASN CA C 55.181 0.3 1 229 96 74 ASN CB C 36.553 0.3 1 230 96 74 ASN N N 115.298 0.3 1 231 97 75 THR H H 8.268 0.020 1 232 97 75 THR C C 176.125 0.3 1 233 97 75 THR CA C 65.666 0.3 1 234 97 75 THR CB C 68.533 0.3 1 235 97 75 THR N N 116.413 0.3 1 236 98 76 ASP H H 8.240 0.020 1 237 98 76 ASP C C 176.606 0.3 1 238 98 76 ASP CA C 54.536 0.3 1 239 98 76 ASP CB C 38.937 0.3 1 240 98 76 ASP N N 121.274 0.3 1 241 99 77 CYS H H 7.397 0.020 1 242 99 77 CYS C C 174.255 0.3 1 243 99 77 CYS CA C 59.433 0.3 1 244 99 77 CYS CB C 39.115 0.3 1 245 99 77 CYS N N 120.445 0.3 1 246 100 78 ASP H H 8.409 0.020 1 247 100 78 ASP C C 177.013 0.3 1 248 100 78 ASP CA C 54.807 0.3 1 249 100 78 ASP CB C 39.422 0.3 1 250 100 78 ASP N N 112.553 0.3 1 251 101 79 LYS H H 7.960 0.020 1 252 101 79 LYS HA H 4.387 0.020 1 253 101 79 LYS HB2 H 1.965 0.020 1 254 101 79 LYS HB3 H 1.965 0.020 1 255 101 79 LYS HG2 H 1.490 0.020 1 256 101 79 LYS HG3 H 1.490 0.020 1 257 101 79 LYS HD2 H 1.701 0.020 1 258 101 79 LYS HD3 H 1.701 0.020 1 259 101 79 LYS HE2 H 3.005 0.020 1 260 101 79 LYS HE3 H 3.005 0.020 1 261 101 79 LYS C C 175.294 0.3 1 262 101 79 LYS CA C 55.328 0.3 1 263 101 79 LYS CB C 32.136 0.3 1 264 101 79 LYS N N 117.300 0.3 1 265 102 80 THR H H 7.252 0.020 1 266 102 80 THR C C 170.695 0.3 1 267 102 80 THR CA C 59.044 0.3 1 268 102 80 THR CB C 69.194 0.3 1 269 102 80 THR CG2 C 17.935 0.3 1 270 102 80 THR N N 115.261 0.3 1 271 103 81 ASP H H 8.446 0.020 1 272 103 81 ASP C C 176.570 0.3 1 273 103 81 ASP CA C 55.220 0.3 1 274 103 81 ASP CB C 40.851 0.3 1 275 103 81 ASP CG C 180.039 0.3 1 276 103 81 ASP N N 118.851 0.3 1 277 104 82 GLY H H 7.556 0.020 1 278 104 82 GLY HA2 H 4.597 0.020 2 279 104 82 GLY HA3 H 4.274 0.020 2 280 104 82 GLY C C 169.492 0.3 1 281 104 82 GLY CA C 45.018 0.3 1 282 104 82 GLY N N 107.841 0.3 1 283 105 83 PHE H H 7.337 0.020 1 284 105 83 PHE C C 174.113 0.3 1 285 105 83 PHE CA C 56.901 0.3 1 286 105 83 PHE CB C 40.847 0.3 1 287 105 83 PHE N N 117.039 0.3 1 288 106 84 VAL H H 8.256 0.020 1 289 106 84 VAL C C 175.980 0.3 1 290 106 84 VAL CA C 59.839 0.3 1 291 106 84 VAL CB C 38.908 0.3 1 292 106 84 VAL N N 121.437 0.3 1 293 107 85 ILE H H 8.819 0.020 1 294 107 85 ILE C C 174.796 0.3 1 295 107 85 ILE CA C 56.203 0.3 1 296 107 85 ILE CB C 38.754 0.3 1 297 107 85 ILE N N 127.673 0.3 1 298 109 87 HIS H H 8.936 0.020 1 299 109 87 HIS C C 174.368 0.3 1 300 109 87 HIS CA C 55.145 0.3 1 301 109 87 HIS CB C 33.638 0.3 1 302 109 87 HIS N N 128.877 0.3 1 303 110 88 GLY H H 8.184 0.020 1 304 110 88 GLY CA C 45.157 0.3 1 305 110 88 GLY N N 110.892 0.3 1 306 114 92 MET H H 7.311 0.020 1 307 114 92 MET CA C 59.444 0.3 1 308 114 92 MET CB C 33.186 0.3 1 309 114 92 MET N N 125.882 0.3 1 310 115 93 GLU H H 9.767 0.020 1 311 115 93 GLU C C 175.844 0.3 1 312 115 93 GLU CA C 57.283 0.3 1 313 115 93 GLU CB C 30.050 0.3 1 314 115 93 GLU N N 113.260 0.3 1 315 116 94 GLU H H 7.754 0.020 1 316 116 94 GLU C C 175.538 0.3 1 317 116 94 GLU CA C 58.591 0.3 1 318 116 94 GLU CB C 29.681 0.3 1 319 116 94 GLU N N 122.295 0.3 1 320 117 95 THR H H 7.627 0.020 1 321 117 95 THR CA C 64.508 0.3 1 322 117 95 THR CB C 66.902 0.3 1 323 117 95 THR N N 115.597 0.3 1 324 125 103 VAL H H 8.141 0.020 1 325 125 103 VAL C C 174.089 0.3 1 326 125 103 VAL CA C 63.674 0.3 1 327 125 103 VAL CB C 31.053 0.3 1 328 125 103 VAL N N 126.128 0.3 1 329 126 104 LYS H H 9.182 0.020 1 330 126 104 LYS HA H 4.839 0.020 1 331 126 104 LYS HB2 H 1.920 0.020 1 332 126 104 LYS HB3 H 1.920 0.020 1 333 126 104 LYS HG2 H 1.424 0.020 1 334 126 104 LYS HG3 H 1.424 0.020 1 335 126 104 LYS C C 175.359 0.3 1 336 126 104 LYS CA C 51.908 0.3 1 337 126 104 LYS CB C 29.957 0.3 1 338 126 104 LYS N N 124.900 0.3 1 339 127 105 CYS H H 6.702 0.020 1 340 127 105 CYS C C 172.956 0.3 1 341 127 105 CYS CA C 53.485 0.3 1 342 127 105 CYS CB C 38.267 0.3 1 343 127 105 CYS N N 117.617 0.3 1 344 128 106 ASP H H 8.851 0.020 1 345 128 106 ASP C C 175.597 0.3 1 346 128 106 ASP CA C 54.019 0.3 1 347 128 106 ASP CB C 39.271 0.3 1 348 128 106 ASP N N 127.723 0.3 1 349 129 107 LYS H H 7.531 0.020 1 350 129 107 LYS HA H 4.344 0.020 1 351 129 107 LYS HB2 H 1.886 0.020 1 352 129 107 LYS HB3 H 1.886 0.020 1 353 129 107 LYS HG2 H 1.502 0.020 1 354 129 107 LYS HG3 H 1.502 0.020 1 355 129 107 LYS HD2 H 1.635 0.020 1 356 129 107 LYS HD3 H 1.635 0.020 1 357 129 107 LYS C C 173.360 0.3 1 358 129 107 LYS CA C 52.782 0.3 1 359 129 107 LYS CB C 30.062 0.3 1 360 129 107 LYS N N 120.938 0.3 1 361 134 112 VAL H H 8.876 0.020 1 362 134 112 VAL C C 175.138 0.3 1 363 134 112 VAL CA C 59.147 0.3 1 364 134 112 VAL CB C 42.278 0.3 1 365 134 112 VAL N N 122.154 0.3 1 366 135 113 GLY H H 8.651 0.020 1 367 135 113 GLY C C 170.371 0.3 1 368 135 113 GLY CA C 44.564 0.3 1 369 135 113 GLY N N 112.729 0.3 1 370 136 114 ALA H H 8.779 0.020 1 371 136 114 ALA C C 176.456 0.3 1 372 136 114 ALA CA C 51.402 0.3 1 373 136 114 ALA CB C 21.701 0.3 1 374 136 114 ALA N N 122.225 0.3 1 375 137 115 MET H H 11.488 0.020 1 376 137 115 MET CA C 54.020 0.3 1 377 137 115 MET N N 125.152 0.3 1 378 138 116 ARG H H 9.844 0.020 1 379 138 116 ARG C C 173.915 0.3 1 380 138 116 ARG CA C 52.536 0.3 1 381 138 116 ARG CB C 30.154 0.3 1 382 138 116 ARG N N 124.159 0.3 1 383 160 138 ASP H H 7.116 0.020 1 384 160 138 ASP C C 178.494 0.3 1 385 160 138 ASP CA C 53.733 0.3 1 386 160 138 ASP CB C 41.502 0.3 1 387 160 138 ASP N N 122.056 0.3 1 388 161 139 LYS H H 8.804 0.020 1 389 161 139 LYS HA H 4.026 0.020 1 390 161 139 LYS HB2 H 1.924 0.020 1 391 161 139 LYS HB3 H 1.924 0.020 1 392 161 139 LYS HG2 H 1.603 0.020 1 393 161 139 LYS HG3 H 1.603 0.020 1 394 161 139 LYS HD2 H 1.734 0.020 1 395 161 139 LYS HD3 H 1.734 0.020 1 396 161 139 LYS C C 179.274 0.3 1 397 161 139 LYS CA C 58.335 0.3 1 398 161 139 LYS CB C 30.885 0.3 1 399 161 139 LYS N N 129.465 0.3 1 400 162 140 ALA H H 9.200 0.020 1 401 162 140 ALA C C 178.584 0.3 1 402 162 140 ALA CA C 53.024 0.3 1 403 162 140 ALA CB C 17.854 0.3 1 404 162 140 ALA N N 121.182 0.3 1 405 163 141 SER H H 8.225 0.020 1 406 163 141 SER C C 172.978 0.3 1 407 163 141 SER CA C 58.278 0.3 1 408 163 141 SER CB C 62.463 0.3 1 409 163 141 SER N N 114.276 0.3 1 410 164 142 ALA H H 7.015 0.020 1 411 164 142 ALA C C 176.354 0.3 1 412 164 142 ALA CA C 52.027 0.3 1 413 164 142 ALA CB C 18.269 0.3 1 414 164 142 ALA N N 121.099 0.3 1 415 165 143 ASN H H 8.726 0.020 1 416 165 143 ASN C C 175.155 0.3 1 417 165 143 ASN CA C 54.778 0.3 1 418 165 143 ASN CB C 36.854 0.3 1 419 165 143 ASN N N 112.940 0.3 1 420 166 144 ARG H H 7.881 0.020 1 421 166 144 ARG C C 174.276 0.3 1 422 166 144 ARG CA C 54.728 0.3 1 423 166 144 ARG CB C 30.968 0.3 1 424 166 144 ARG N N 116.195 0.3 1 425 167 145 GLY H H 7.842 0.020 1 426 167 145 GLY C C 174.013 0.3 1 427 167 145 GLY CA C 42.772 0.3 1 428 167 145 GLY N N 108.016 0.3 1 429 168 146 VAL H H 7.587 0.020 1 430 168 146 VAL C C 175.401 0.3 1 431 168 146 VAL CA C 63.402 0.3 1 432 168 146 VAL CB C 30.562 0.3 1 433 168 146 VAL N N 119.584 0.3 1 434 178 156 ASP H H 7.891 0.020 1 435 178 156 ASP C C 175.670 0.3 1 436 178 156 ASP CA C 52.814 0.3 1 437 178 156 ASP CB C 42.522 0.3 1 438 178 156 ASP N N 117.979 0.3 1 439 179 157 GLY H H 7.789 0.020 1 440 179 157 GLY C C 175.530 0.3 1 441 179 157 GLY CA C 46.273 0.3 1 442 179 157 GLY N N 103.937 0.3 1 443 180 158 ARG H H 7.907 0.020 1 444 180 158 ARG C C 178.078 0.3 1 445 180 158 ARG CA C 58.784 0.3 1 446 180 158 ARG CB C 29.572 0.3 1 447 180 158 ARG N N 120.505 0.3 1 448 181 159 ASP H H 8.537 0.020 1 449 181 159 ASP C C 178.198 0.3 1 450 181 159 ASP CA C 55.153 0.3 1 451 181 159 ASP CB C 43.197 0.3 1 452 181 159 ASP N N 120.325 0.3 1 453 182 160 VAL H H 7.120 0.020 1 454 182 160 VAL C C 173.885 0.3 1 455 182 160 VAL CA C 61.513 0.3 1 456 182 160 VAL CB C 28.516 0.3 1 457 182 160 VAL N N 117.090 0.3 1 458 184 162 LYS H H 7.615 0.020 1 459 184 162 LYS HA H 4.295 0.020 1 460 184 162 LYS HB2 H 1.346 0.020 1 461 184 162 LYS HB3 H 1.346 0.020 1 462 184 162 LYS HG2 H 0.839 0.020 1 463 184 162 LYS HG3 H 0.839 0.020 1 464 184 162 LYS HD2 H 1.017 0.020 1 465 184 162 LYS HD3 H 1.017 0.020 1 466 184 162 LYS HE2 H 3.339 0.020 1 467 184 162 LYS HE3 H 3.339 0.020 1 468 184 162 LYS C C 175.598 0.3 1 469 184 162 LYS CA C 56.544 0.3 1 470 184 162 LYS CB C 32.299 0.3 1 471 184 162 LYS N N 128.634 0.3 1 472 185 163 THR H H 7.809 0.020 1 473 185 163 THR CA C 63.604 0.3 1 474 185 163 THR CB C 70.459 0.3 1 475 185 163 THR CG2 C 22.820 0.3 1 476 185 163 THR N N 118.335 0.3 1 477 187 165 THR H H 7.420 0.020 1 478 187 165 THR C C 174.792 0.3 1 479 187 165 THR CA C 65.803 0.3 1 480 187 165 THR CB C 68.342 0.3 1 481 187 165 THR N N 117.289 0.3 1 482 188 166 THR H H 7.653 0.020 1 483 188 166 THR C C 174.793 0.3 1 484 188 166 THR CA C 62.525 0.3 1 485 188 166 THR CB C 70.862 0.3 1 486 188 166 THR N N 107.594 0.3 1 487 189 167 ASP H H 8.176 0.020 1 488 189 167 ASP C C 178.301 0.3 1 489 189 167 ASP CA C 53.658 0.3 1 490 189 167 ASP CB C 41.420 0.3 1 491 189 167 ASP N N 125.495 0.3 1 492 190 168 VAL H H 9.078 0.020 1 493 190 168 VAL C C 178.306 0.3 1 494 190 168 VAL CA C 64.519 0.3 1 495 190 168 VAL CB C 30.054 0.3 1 496 190 168 VAL N N 122.787 0.3 1 497 191 169 ALA H H 9.285 0.020 1 498 191 169 ALA C C 176.151 0.3 1 499 191 169 ALA CA C 51.132 0.3 1 500 191 169 ALA CB C 18.464 0.3 1 501 191 169 ALA N N 127.219 0.3 1 502 192 170 THR H H 7.067 0.020 1 503 192 170 THR C C 175.486 0.3 1 504 192 170 THR CA C 62.905 0.3 1 505 192 170 THR CB C 67.809 0.3 1 506 192 170 THR N N 112.026 0.3 1 507 193 171 PHE H H 9.325 0.020 1 508 193 171 PHE C C 175.135 0.3 1 509 193 171 PHE CA C 61.138 0.3 1 510 193 171 PHE CB C 36.924 0.3 1 511 193 171 PHE N N 124.149 0.3 1 512 194 172 LYS H H 8.481 0.020 1 513 194 172 LYS HB2 H 1.809 0.020 1 514 194 172 LYS HB3 H 1.809 0.020 1 515 194 172 LYS HG2 H 1.459 0.020 1 516 194 172 LYS HG3 H 1.459 0.020 1 517 194 172 LYS HD2 H 1.642 0.020 1 518 194 172 LYS HD3 H 1.642 0.020 1 519 194 172 LYS HE2 H 3.000 0.020 1 520 194 172 LYS HE3 H 3.000 0.020 1 521 194 172 LYS C C 175.368 0.3 1 522 194 172 LYS CA C 53.908 0.3 1 523 194 172 LYS CB C 37.054 0.3 1 524 194 172 LYS N N 122.028 0.3 1 525 195 173 SER H H 9.017 0.020 1 526 195 173 SER C C 177.547 0.3 1 527 195 173 SER CA C 57.503 0.3 1 528 195 173 SER CB C 61.930 0.3 1 529 195 173 SER N N 125.553 0.3 1 530 196 174 VAL H H 5.945 0.020 1 531 196 174 VAL C C 175.574 0.3 1 532 196 174 VAL CA C 63.528 0.3 1 533 196 174 VAL CB C 30.903 0.3 1 534 196 174 VAL N N 112.534 0.3 1 535 197 175 ASN H H 9.626 0.020 1 536 197 175 ASN C C 176.419 0.3 1 537 197 175 ASN CA C 55.071 0.3 1 538 197 175 ASN CB C 39.628 0.3 1 539 197 175 ASN CG C 180.183 0.3 1 540 197 175 ASN N N 119.203 0.3 1 541 198 176 TYR H H 9.254 0.020 1 542 198 176 TYR C C 174.425 0.3 1 543 198 176 TYR CA C 59.284 0.3 1 544 198 176 TYR CB C 39.755 0.3 1 545 198 176 TYR N N 118.597 0.3 1 546 199 177 GLY H H 7.305 0.020 1 547 199 177 GLY CA C 44.534 0.3 1 548 199 177 GLY N N 106.012 0.3 1 549 203 181 TYR H H 7.785 0.020 1 550 203 181 TYR C C 174.412 0.3 1 551 203 181 TYR CA C 60.039 0.3 1 552 203 181 TYR CB C 35.584 0.3 1 553 203 181 TYR N N 118.848 0.3 1 554 204 182 ILE H H 8.128 0.020 1 555 204 182 ILE C C 176.828 0.3 1 556 204 182 ILE CA C 56.526 0.3 1 557 204 182 ILE CB C 42.805 0.3 1 558 204 182 ILE N N 120.888 0.3 1 559 207 185 GLY H H 8.590 0.020 1 560 207 185 GLY C C 172.004 0.3 1 561 207 185 GLY CA C 45.308 0.3 1 562 207 185 GLY N N 102.354 0.3 1 563 208 186 LYS H H 7.601 0.020 1 564 208 186 LYS HA H 3.526 0.020 1 565 208 186 LYS HB2 H 1.926 0.020 1 566 208 186 LYS HB3 H 1.926 0.020 1 567 208 186 LYS HG2 H 1.354 0.020 1 568 208 186 LYS HG3 H 1.354 0.020 1 569 208 186 LYS HD2 H 1.728 0.020 1 570 208 186 LYS HD3 H 1.728 0.020 1 571 208 186 LYS HE2 H 3.013 0.020 1 572 208 186 LYS HE3 H 3.013 0.020 1 573 208 186 LYS C C 175.127 0.3 1 574 208 186 LYS CA C 54.060 0.3 1 575 208 186 LYS CB C 33.655 0.3 1 576 208 186 LYS N N 119.514 0.3 1 577 209 187 ILE H H 8.886 0.020 1 578 209 187 ILE C C 175.912 0.3 1 579 209 187 ILE CA C 60.288 0.3 1 580 209 187 ILE CB C 38.636 0.3 1 581 209 187 ILE N N 124.239 0.3 1 582 210 188 ASP H H 8.222 0.020 1 583 210 188 ASP C C 176.393 0.3 1 584 210 188 ASP CA C 52.112 0.3 1 585 210 188 ASP CB C 40.321 0.3 1 586 210 188 ASP N N 127.535 0.3 1 587 211 189 TYR H H 8.473 0.020 1 588 211 189 TYR C C 177.471 0.3 1 589 211 189 TYR CA C 58.400 0.3 1 590 211 189 TYR CB C 38.832 0.3 1 591 211 189 TYR N N 125.647 0.3 1 592 215 193 PRO C C 176.328 0.3 1 593 215 193 PRO CA C 63.539 0.3 1 594 215 193 PRO CB C 31.425 0.3 1 595 216 194 ALA H H 7.442 0.020 1 596 216 194 ALA C C 179.687 0.3 1 597 216 194 ALA CA C 52.557 0.3 1 598 216 194 ALA CB C 20.347 0.3 1 599 216 194 ALA N N 123.076 0.3 1 600 217 195 ARG H H 7.898 0.020 1 601 217 195 ARG C C 176.762 0.3 1 602 217 195 ARG CA C 55.296 0.3 1 603 217 195 ARG CB C 28.710 0.3 1 604 217 195 ARG N N 116.468 0.3 1 605 218 196 LYS H H 7.227 0.020 1 606 218 196 LYS HA H 3.954 0.020 1 607 218 196 LYS HB2 H 1.757 0.020 1 608 218 196 LYS HB3 H 1.757 0.020 1 609 218 196 LYS HG2 H 1.442 0.020 1 610 218 196 LYS HG3 H 1.442 0.020 1 611 218 196 LYS HD2 H 1.611 0.020 1 612 218 196 LYS HD3 H 1.611 0.020 1 613 218 196 LYS HE2 H 2.871 0.020 1 614 218 196 LYS HE3 H 2.871 0.020 1 615 218 196 LYS C C 175.012 0.3 1 616 218 196 LYS CA C 56.957 0.3 1 617 218 196 LYS CB C 33.064 0.3 1 618 218 196 LYS N N 121.249 0.3 1 619 219 197 HIS H H 7.802 0.020 1 620 219 197 HIS C C 175.480 0.3 1 621 219 197 HIS CA C 53.892 0.3 1 622 219 197 HIS CB C 32.955 0.3 1 623 219 197 HIS N N 116.406 0.3 1 624 220 198 THR H H 9.522 0.020 1 625 220 198 THR C C 177.444 0.3 1 626 220 198 THR CA C 62.776 0.3 1 627 220 198 THR CB C 71.392 0.3 1 628 220 198 THR CG2 C 21.783 0.3 1 629 220 198 THR N N 109.423 0.3 1 630 221 199 SER H H 8.431 0.020 1 631 221 199 SER C C 174.359 0.3 1 632 221 199 SER CA C 60.470 0.3 1 633 221 199 SER CB C 62.214 0.3 1 634 221 199 SER N N 118.727 0.3 1 635 222 200 ASP H H 8.779 0.020 1 636 222 200 ASP C C 175.864 0.3 1 637 222 200 ASP CA C 53.776 0.3 1 638 222 200 ASP CB C 41.152 0.3 1 639 222 200 ASP N N 120.466 0.3 1 640 223 201 THR H H 7.292 0.020 1 641 223 201 THR C C 173.093 0.3 1 642 223 201 THR CA C 57.846 0.3 1 643 223 201 THR CB C 66.657 0.3 1 644 223 201 THR N N 110.127 0.3 1 645 224 202 PRO C C 175.880 0.3 1 646 224 202 PRO CA C 61.813 0.3 1 647 225 203 PHE H H 6.465 0.020 1 648 225 203 PHE HD1 H 5.129 0.020 1 649 225 203 PHE HD2 H 5.129 0.020 1 650 225 203 PHE C C 174.039 0.3 1 651 225 203 PHE CA C 56.402 0.3 1 652 225 203 PHE CB C 36.953 0.3 1 653 225 203 PHE N N 119.306 0.3 1 654 226 204 ASP H H 7.855 0.020 1 655 226 204 ASP C C 177.335 0.3 1 656 226 204 ASP CA C 52.019 0.3 1 657 226 204 ASP CB C 41.485 0.3 1 658 226 204 ASP N N 122.471 0.3 1 659 227 205 VAL H H 8.766 0.020 1 660 227 205 VAL C C 176.539 0.3 1 661 227 205 VAL CA C 59.958 0.3 1 662 227 205 VAL CB C 29.898 0.3 1 663 227 205 VAL N N 118.356 0.3 1 664 228 206 SER H H 8.247 0.020 1 665 228 206 SER C C 178.486 0.3 1 666 228 206 SER CA C 62.136 0.3 1 667 228 206 SER N N 117.547 0.3 1 668 234 212 PRO C C 174.785 0.3 1 669 234 212 PRO CA C 62.905 0.3 1 670 234 212 PRO CB C 31.781 0.3 1 671 235 213 LYS H H 9.047 0.020 1 672 235 213 LYS HA H 3.995 0.020 1 673 235 213 LYS HB2 H 1.383 0.020 1 674 235 213 LYS HB3 H 1.383 0.020 1 675 235 213 LYS HG2 H 1.091 0.020 1 676 235 213 LYS HG3 H 1.091 0.020 1 677 235 213 LYS HD2 H 1.292 0.020 1 678 235 213 LYS HD3 H 1.292 0.020 1 679 235 213 LYS HE2 H 2.836 0.020 1 680 235 213 LYS HE3 H 2.836 0.020 1 681 235 213 LYS C C 176.133 0.3 1 682 235 213 LYS CA C 56.260 0.3 1 683 235 213 LYS CB C 31.128 0.3 1 684 235 213 LYS N N 123.385 0.3 1 685 236 214 VAL H H 9.043 0.020 1 686 236 214 VAL C C 175.920 0.3 1 687 236 214 VAL CA C 59.799 0.3 1 688 236 214 VAL CB C 34.948 0.3 1 689 236 214 VAL N N 124.862 0.3 1 690 249 227 PRO CA C 66.454 0.3 1 691 249 227 PRO CB C 31.510 0.3 1 692 250 228 ALA H H 7.401 0.020 1 693 250 228 ALA C C 178.023 0.3 1 694 250 228 ALA CA C 54.463 0.3 1 695 250 228 ALA CB C 17.063 0.3 1 696 250 228 ALA N N 116.015 0.3 1 697 251 229 LYS H H 8.377 0.020 1 698 251 229 LYS HA H 3.656 0.020 1 699 251 229 LYS HB2 H 1.794 0.020 1 700 251 229 LYS HB3 H 1.794 0.020 1 701 251 229 LYS HG2 H 1.321 0.020 1 702 251 229 LYS HG3 H 1.321 0.020 1 703 251 229 LYS HD2 H 1.583 0.020 1 704 251 229 LYS HD3 H 1.583 0.020 1 705 251 229 LYS HE2 H 2.933 0.020 1 706 251 229 LYS HE3 H 2.933 0.020 1 707 251 229 LYS C C 177.937 0.3 1 708 251 229 LYS CA C 59.032 0.3 1 709 251 229 LYS CB C 31.844 0.3 1 710 251 229 LYS N N 117.763 0.3 1 711 252 230 ALA H H 8.212 0.020 1 712 252 230 ALA C C 177.848 0.3 1 713 252 230 ALA CA C 53.974 0.3 1 714 252 230 ALA CB C 17.530 0.3 1 715 252 230 ALA N N 119.233 0.3 1 716 253 231 LEU H H 10.276 0.020 1 717 253 231 LEU CA C 54.162 0.3 1 718 253 231 LEU CB C 38.098 0.3 1 719 253 231 LEU N N 120.831 0.3 1 720 255 233 ASP H H 8.945 0.020 1 721 255 233 ASP C C 177.653 0.3 1 722 255 233 ASP CA C 56.610 0.3 1 723 255 233 ASP CB C 39.288 0.3 1 724 255 233 ASP N N 122.772 0.3 1 725 256 234 ALA H H 7.181 0.020 1 726 256 234 ALA C C 177.912 0.3 1 727 256 234 ALA CA C 51.430 0.3 1 728 256 234 ALA CB C 18.962 0.3 1 729 256 234 ALA N N 119.353 0.3 1 730 257 235 GLY H H 8.093 0.020 1 731 257 235 GLY C C 175.141 0.3 1 732 257 235 GLY CA C 45.648 0.3 1 733 257 235 GLY N N 107.876 0.3 1 734 258 236 TYR H H 7.902 0.020 1 735 258 236 TYR C C 174.977 0.3 1 736 258 236 TYR CA C 60.903 0.3 1 737 258 236 TYR CB C 35.560 0.3 1 738 258 236 TYR N N 120.521 0.3 1 739 259 237 ASP H H 7.956 0.020 1 740 259 237 ASP C C 176.857 0.3 1 741 259 237 ASP CA C 56.582 0.3 1 742 259 237 ASP CB C 42.768 0.3 1 743 259 237 ASP N N 120.783 0.3 1 744 266 244 VAL H H 8.331 0.020 1 745 266 244 VAL C C 175.844 0.3 1 746 266 244 VAL CA C 58.649 0.3 1 747 266 244 VAL CB C 31.700 0.3 1 748 266 244 VAL N N 110.274 0.3 1 749 267 245 GLY H H 9.270 0.020 1 750 267 245 GLY CA C 45.745 0.3 1 751 267 245 GLY N N 110.615 0.3 1 752 269 247 GLY H H 7.807 0.020 1 753 269 247 GLY C C 176.200 0.3 1 754 269 247 GLY CA C 46.413 0.3 1 755 269 247 GLY N N 105.238 0.3 1 756 270 248 ASN H H 8.946 0.020 1 757 270 248 ASN C C 174.239 0.3 1 758 270 248 ASN CA C 53.167 0.3 1 759 270 248 ASN CB C 38.174 0.3 1 760 270 248 ASN N N 122.594 0.3 1 761 271 249 LEU H H 8.370 0.020 1 762 271 249 LEU C C 175.214 0.3 1 763 271 249 LEU CA C 53.424 0.3 1 764 271 249 LEU CB C 44.183 0.3 1 765 271 249 LEU N N 117.442 0.3 1 766 272 250 TYR H H 8.052 0.020 1 767 272 250 TYR C C 178.503 0.3 1 768 272 250 TYR CA C 58.764 0.3 1 769 272 250 TYR CB C 38.965 0.3 1 770 272 250 TYR N N 123.548 0.3 1 771 273 251 LYS H H 7.241 0.020 1 772 273 251 LYS HA H 3.930 0.020 1 773 273 251 LYS HB2 H 1.675 0.020 1 774 273 251 LYS HB3 H 1.675 0.020 1 775 273 251 LYS HG2 H 1.071 0.020 1 776 273 251 LYS HG3 H 1.071 0.020 1 777 273 251 LYS HD2 H 1.425 0.020 1 778 273 251 LYS HD3 H 1.425 0.020 1 779 273 251 LYS HE2 H 2.863 0.020 1 780 273 251 LYS HE3 H 2.863 0.020 1 781 273 251 LYS C C 176.292 0.3 1 782 273 251 LYS CA C 59.930 0.3 1 783 273 251 LYS CB C 30.888 0.3 1 784 273 251 LYS N N 129.238 0.3 1 785 274 252 SER H H 6.474 0.020 1 786 274 252 SER C C 176.974 0.3 1 787 274 252 SER CA C 60.939 0.3 1 788 274 252 SER CB C 61.592 0.3 1 789 274 252 SER N N 112.483 0.3 1 790 275 253 VAL H H 7.345 0.020 1 791 275 253 VAL C C 177.122 0.3 1 792 275 253 VAL CA C 66.264 0.3 1 793 275 253 VAL CB C 30.478 0.3 1 794 275 253 VAL N N 125.390 0.3 1 795 276 254 PHE H H 8.617 0.020 1 796 276 254 PHE C C 177.486 0.3 1 797 276 254 PHE CA C 60.529 0.3 1 798 276 254 PHE CB C 37.381 0.3 1 799 276 254 PHE N N 121.487 0.3 1 800 277 255 ASP H H 8.489 0.020 1 801 277 255 ASP C C 179.304 0.3 1 802 277 255 ASP CA C 57.437 0.3 1 803 277 255 ASP CB C 39.618 0.3 1 804 277 255 ASP N N 118.039 0.3 1 805 278 256 THR H H 7.435 0.020 1 806 278 256 THR C C 176.690 0.3 1 807 278 256 THR CA C 66.870 0.3 1 808 278 256 THR CB C 68.068 0.3 1 809 278 256 THR CG2 C 22.280 0.3 1 810 278 256 THR N N 116.733 0.3 1 811 279 257 LEU H H 8.502 0.020 1 812 279 257 LEU C C 178.287 0.3 1 813 279 257 LEU CA C 57.178 0.3 1 814 279 257 LEU CB C 38.378 0.3 1 815 279 257 LEU N N 121.768 0.3 1 816 280 258 ALA H H 9.292 0.020 1 817 280 258 ALA C C 181.186 0.3 1 818 280 258 ALA CA C 55.089 0.3 1 819 280 258 ALA CB C 17.206 0.3 1 820 280 258 ALA N N 123.499 0.3 1 821 281 259 THR H H 7.617 0.020 1 822 281 259 THR C C 176.513 0.3 1 823 281 259 THR CA C 66.050 0.3 1 824 281 259 THR CB C 68.030 0.3 1 825 281 259 THR N N 115.639 0.3 1 826 282 260 ALA H H 7.952 0.020 1 827 282 260 ALA C C 179.910 0.3 1 828 282 260 ALA CA C 54.180 0.3 1 829 282 260 ALA CB C 16.727 0.3 1 830 282 260 ALA N N 125.038 0.3 1 831 283 261 ALA H H 8.626 0.020 1 832 283 261 ALA C C 181.509 0.3 1 833 283 261 ALA CA C 53.848 0.3 1 834 283 261 ALA CB C 17.421 0.3 1 835 283 261 ALA N N 121.945 0.3 1 836 284 262 LYS H H 7.449 0.020 1 837 284 262 LYS HA H 4.255 0.020 1 838 284 262 LYS HB2 H 2.071 0.020 1 839 284 262 LYS HB3 H 2.071 0.020 1 840 284 262 LYS HG2 H 1.588 0.020 1 841 284 262 LYS HG3 H 1.588 0.020 1 842 284 262 LYS HD2 H 1.723 0.020 1 843 284 262 LYS HD3 H 1.723 0.020 1 844 284 262 LYS HE2 H 3.025 0.020 1 845 284 262 LYS HE3 H 3.025 0.020 1 846 284 262 LYS C C 178.408 0.3 1 847 284 262 LYS CA C 57.525 0.3 1 848 284 262 LYS CB C 31.510 0.3 1 849 284 262 LYS N N 117.346 0.3 1 850 285 263 THR H H 7.670 0.020 1 851 285 263 THR C C 175.141 0.3 1 852 285 263 THR CA C 61.079 0.3 1 853 285 263 THR CB C 68.573 0.3 1 854 285 263 THR N N 108.509 0.3 1 855 286 264 GLY H H 7.560 0.020 1 856 286 264 GLY C C 174.665 0.3 1 857 286 264 GLY CA C 45.109 0.3 1 858 286 264 GLY N N 107.876 0.3 1 859 287 265 THR H H 7.992 0.020 1 860 287 265 THR C C 173.048 0.3 1 861 287 265 THR CA C 63.722 0.3 1 862 287 265 THR CB C 68.382 0.3 1 863 287 265 THR N N 121.758 0.3 1 864 288 266 ALA H H 7.864 0.020 1 865 288 266 ALA C C 176.079 0.3 1 866 288 266 ALA CA C 51.508 0.3 1 867 288 266 ALA CB C 19.674 0.3 1 868 288 266 ALA N N 129.645 0.3 1 869 289 267 VAL H H 9.163 0.020 1 870 289 267 VAL C C 174.657 0.3 1 871 289 267 VAL CA C 60.645 0.3 1 872 289 267 VAL CB C 33.867 0.3 1 873 289 267 VAL N N 124.124 0.3 1 874 293 271 SER H H 8.722 0.020 1 875 293 271 SER C C 173.800 0.3 1 876 293 271 SER CA C 56.023 0.3 1 877 293 271 SER CB C 62.928 0.3 1 878 293 271 SER N N 115.261 0.3 1 879 294 272 ARG H H 9.533 0.020 1 880 294 272 ARG C C 174.758 0.3 1 881 294 272 ARG CA C 55.145 0.3 1 882 294 272 ARG CB C 27.816 0.3 1 883 294 272 ARG N N 125.734 0.3 1 884 295 273 VAL H H 9.119 0.020 1 885 295 273 VAL CA C 59.896 0.3 1 886 295 273 VAL CB C 35.047 0.3 1 887 295 273 VAL N N 125.148 0.3 1 888 296 274 PRO C C 176.516 0.3 1 889 297 275 THR H H 7.264 0.020 1 890 297 275 THR C C 173.470 0.3 1 891 297 275 THR CA C 59.696 0.3 1 892 297 275 THR CB C 72.422 0.3 1 893 297 275 THR CG2 C 20.754 0.3 1 894 297 275 THR N N 109.092 0.3 1 895 298 276 GLY H H 8.511 0.020 1 896 298 276 GLY C C 172.425 0.3 1 897 298 276 GLY CA C 43.029 0.3 1 898 298 276 GLY N N 109.177 0.3 1 899 299 277 ALA H H 7.679 0.020 1 900 299 277 ALA C C 178.103 0.3 1 901 299 277 ALA CA C 49.815 0.3 1 902 299 277 ALA CB C 19.150 0.3 1 903 299 277 ALA N N 118.497 0.3 1 904 300 278 THR H H 7.867 0.020 1 905 300 278 THR C C 177.078 0.3 1 906 300 278 THR CA C 62.991 0.3 1 907 300 278 THR CB C 66.115 0.3 1 908 300 278 THR N N 120.946 0.3 1 909 301 279 THR H H 8.845 0.020 1 910 301 279 THR C C 176.481 0.3 1 911 301 279 THR CA C 60.657 0.3 1 912 301 279 THR CB C 70.237 0.3 1 913 301 279 THR CG2 C 21.828 0.3 1 914 301 279 THR N N 119.270 0.3 1 915 302 280 GLN H H 8.277 0.020 1 916 302 280 GLN C C 176.172 0.3 1 917 302 280 GLN CA C 55.960 0.3 1 918 302 280 GLN CB C 30.155 0.3 1 919 302 280 GLN N N 119.235 0.3 1 920 303 281 ASP H H 9.089 0.020 1 921 303 281 ASP C C 175.006 0.3 1 922 303 281 ASP CA C 55.161 0.3 1 923 303 281 ASP CB C 39.448 0.3 1 924 303 281 ASP N N 118.722 0.3 1 925 304 282 ALA H H 8.229 0.020 1 926 304 282 ALA C C 177.605 0.3 1 927 304 282 ALA CA C 51.401 0.3 1 928 304 282 ALA CB C 17.584 0.3 1 929 304 282 ALA N N 124.364 0.3 1 930 305 283 GLU H H 8.210 0.020 1 931 305 283 GLU C C 176.628 0.3 1 932 305 283 GLU CA C 57.429 0.3 1 933 305 283 GLU CB C 29.568 0.3 1 934 305 283 GLU N N 119.345 0.3 1 935 306 284 VAL H H 7.622 0.020 1 936 306 284 VAL C C 175.234 0.3 1 937 306 284 VAL CA C 61.240 0.3 1 938 306 284 VAL CB C 32.846 0.3 1 939 306 284 VAL N N 118.251 0.3 1 940 307 285 ASP H H 8.531 0.020 1 941 307 285 ASP C C 175.144 0.3 1 942 307 285 ASP CA C 52.027 0.3 1 943 307 285 ASP CB C 38.265 0.3 1 944 307 285 ASP CG C 180.043 0.3 1 945 307 285 ASP N N 126.926 0.3 1 946 308 286 ASP H H 7.865 0.020 1 947 308 286 ASP C C 179.060 0.3 1 948 308 286 ASP CA C 59.017 0.3 1 949 308 286 ASP CB C 40.538 0.3 1 950 308 286 ASP N N 126.189 0.3 1 951 309 287 ALA H H 8.361 0.020 1 952 309 287 ALA C C 179.988 0.3 1 953 309 287 ALA CA C 53.932 0.3 1 954 309 287 ALA CB C 17.168 0.3 1 955 309 287 ALA N N 120.712 0.3 1 956 310 288 LYS H H 7.280 0.020 1 957 310 288 LYS HA H 3.753 0.020 1 958 310 288 LYS HB2 H 1.261 0.020 1 959 310 288 LYS HB3 H 1.261 0.020 1 960 310 288 LYS HG2 H 0.228 0.020 1 961 310 288 LYS HG3 H 0.228 0.020 1 962 310 288 LYS HD2 H 0.961 0.020 1 963 310 288 LYS HD3 H 0.961 0.020 1 964 310 288 LYS HE2 H 2.575 0.020 1 965 310 288 LYS HE3 H 2.575 0.020 1 966 310 288 LYS C C 177.810 0.3 1 967 310 288 LYS CA C 57.770 0.3 1 968 310 288 LYS CB C 31.253 0.3 1 969 310 288 LYS CE C 42.299 0.3 1 970 310 288 LYS N N 118.919 0.3 1 971 311 289 TYR H H 6.842 0.020 1 972 311 289 TYR C C 175.310 0.3 1 973 311 289 TYR CA C 58.412 0.3 1 974 311 289 TYR CB C 37.237 0.3 1 975 311 289 TYR N N 113.684 0.3 1 976 312 290 GLY H H 7.820 0.020 1 977 312 290 GLY C C 174.201 0.3 1 978 312 290 GLY CA C 45.276 0.3 1 979 312 290 GLY N N 107.348 0.3 1 980 313 291 PHE H H 7.420 0.020 1 981 313 291 PHE C C 174.907 0.3 1 982 313 291 PHE CA C 52.007 0.3 1 983 313 291 PHE CB C 39.068 0.3 1 984 313 291 PHE N N 116.476 0.3 1 985 314 292 VAL H H 7.852 0.020 1 986 314 292 VAL C C 173.915 0.3 1 987 314 292 VAL CA C 60.077 0.3 1 988 314 292 VAL CB C 33.855 0.3 1 989 314 292 VAL N N 119.827 0.3 1 990 315 293 ALA H H 9.153 0.020 1 991 315 293 ALA C C 179.438 0.3 1 992 315 293 ALA CA C 50.987 0.3 1 993 315 293 ALA CB C 19.256 0.3 1 994 315 293 ALA N N 130.794 0.3 1 995 317 295 GLY H H 8.514 0.020 1 996 317 295 GLY C C 176.933 0.3 1 997 317 295 GLY CA C 45.971 0.3 1 998 317 295 GLY N N 116.134 0.3 1 999 318 296 THR H H 9.439 0.020 1 1000 318 296 THR C C 174.657 0.3 1 1001 318 296 THR CA C 63.434 0.3 1 1002 318 296 THR CB C 67.861 0.3 1 1003 318 296 THR N N 117.899 0.3 1 1004 319 297 LEU H H 6.966 0.020 1 1005 319 297 LEU C C 175.547 0.3 1 1006 319 297 LEU CA C 54.771 0.3 1 1007 319 297 LEU CB C 40.718 0.3 1 1008 319 297 LEU N N 120.150 0.3 1 1009 320 298 ASN H H 7.344 0.020 1 1010 320 298 ASN C C 173.376 0.3 1 1011 320 298 ASN CA C 51.287 0.3 1 1012 320 298 ASN CB C 35.651 0.3 1 1013 320 298 ASN N N 124.639 0.3 1 1014 333 311 THR H H 7.615 0.020 1 1015 333 311 THR C C 175.027 0.3 1 1016 333 311 THR CA C 63.373 0.3 1 1017 333 311 THR CB C 69.608 0.3 1 1018 333 311 THR CG2 C 20.526 0.3 1 1019 333 311 THR N N 110.384 0.3 1 1020 334 312 GLN H H 8.062 0.020 1 1021 334 312 GLN C C 175.436 0.3 1 1022 334 312 GLN CA C 55.463 0.3 1 1023 334 312 GLN CB C 30.479 0.3 1 1024 334 312 GLN CG C 33.018 0.3 1 1025 334 312 GLN CD C 178.875 0.3 1 1026 334 312 GLN N N 119.200 0.3 1 1027 335 313 THR H H 8.523 0.020 1 1028 335 313 THR C C 169.463 0.3 1 1029 335 313 THR CA C 60.197 0.3 1 1030 335 313 THR CB C 67.861 0.3 1 1031 335 313 THR N N 116.205 0.3 1 1032 336 314 LYS H H 7.994 0.020 1 1033 336 314 LYS HA H 4.722 0.020 1 1034 336 314 LYS HB2 H 1.916 0.020 1 1035 336 314 LYS HB3 H 1.916 0.020 1 1036 336 314 LYS HG2 H 1.411 0.020 1 1037 336 314 LYS HG3 H 1.411 0.020 1 1038 336 314 LYS HD2 H 1.720 0.020 1 1039 336 314 LYS HD3 H 1.720 0.020 1 1040 336 314 LYS HE2 H 3.021 0.020 1 1041 336 314 LYS HE3 H 3.021 0.020 1 1042 336 314 LYS C C 176.432 0.3 1 1043 336 314 LYS CA C 54.270 0.3 1 1044 336 314 LYS CB C 32.413 0.3 1 1045 336 314 LYS N N 120.501 0.3 1 1046 337 315 ASP H H 8.412 0.020 1 1047 337 315 ASP C C 175.339 0.3 1 1048 337 315 ASP CA C 51.274 0.3 1 1049 337 315 ASP CB C 42.013 0.3 1 1050 337 315 ASP N N 125.181 0.3 1 1051 338 316 PRO C C 178.483 0.3 1 1052 338 316 PRO CA C 65.273 0.3 1 1053 338 316 PRO CB C 31.281 0.3 1 1054 339 317 GLN H H 8.040 0.020 1 1055 339 317 GLN C C 179.650 0.3 1 1056 339 317 GLN CA C 58.670 0.3 1 1057 339 317 GLN CB C 27.477 0.3 1 1058 339 317 GLN CG C 33.847 0.3 1 1059 339 317 GLN CD C 180.529 0.3 1 1060 339 317 GLN N N 116.703 0.3 1 1061 340 318 GLN H H 7.585 0.020 1 1062 340 318 GLN C C 179.672 0.3 1 1063 340 318 GLN CA C 57.583 0.3 1 1064 340 318 GLN CB C 27.656 0.3 1 1065 340 318 GLN N N 119.677 0.3 1 1066 341 319 ILE H H 8.723 0.020 1 1067 341 319 ILE C C 178.230 0.3 1 1068 341 319 ILE CA C 66.023 0.3 1 1069 341 319 ILE CB C 35.990 0.3 1 1070 341 319 ILE N N 122.013 0.3 1 1071 342 320 GLN H H 8.632 0.020 1 1072 342 320 GLN C C 178.086 0.3 1 1073 342 320 GLN CA C 58.160 0.3 1 1074 342 320 GLN CB C 27.846 0.3 1 1075 342 320 GLN CG C 35.658 0.3 1 1076 342 320 GLN CD C 183.929 0.3 1 1077 342 320 GLN N N 120.935 0.3 1 1078 343 321 GLN H H 7.621 0.020 1 1079 343 321 GLN C C 178.851 0.3 1 1080 343 321 GLN CA C 59.528 0.3 1 1081 343 321 GLN CB C 29.554 0.3 1 1082 343 321 GLN N N 119.116 0.3 1 1083 344 322 ILE H H 7.992 0.020 1 1084 344 322 ILE C C 178.621 0.3 1 1085 344 322 ILE CA C 66.141 0.3 1 1086 344 322 ILE CB C 37.346 0.3 1 1087 344 322 ILE N N 121.808 0.3 1 stop_ save_