data_25891 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N chemical shift assignments for PARP-1 F1F2F3 domains in complex with a DNA single-strand break ; _BMRB_accession_number 25891 _BMRB_flat_file_name bmr25891.str _Entry_type original _Submission_date 2015-10-08 _Accession_date 2015-10-14 _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 Neuhaus David . . 2 Eustermann Sebastian . . 3 Yang Ji-Chun . . 4 Wu Wing-Fung . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 335 "13C chemical shifts" 348 "15N chemical shifts" 335 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-10-07 update author 'update entry title, etc.' 2016-07-22 update BMRB 'update entry citation' 2015-11-25 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 25888 'F1F2-DNA complex' 25889 'F1F2 free' 25890 'DNA free' 25892 'F1F2F3 free' 25893 'F3 free' 25894 'F1F2F3-WGR-DNA complex' 25895 'WGR free' stop_ _Original_release_date 2015-11-25 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural basis of detection and signaling of DNA single-strand breaks by human PARP 1 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26626479 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Eustermann Sebastian . . 2 Wu Wing-Fung . . 3 Langelier Marie-France . . 4 Yang Ji-Chun . . 5 Easton Laura E. . 6 Riccio Amanda . . 7 Pascal John M. . 8 Neuhaus David . . stop_ _Journal_abbreviation 'Mol. Cell' _Journal_volume 60 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 742 _Page_last 754 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly_f1f2f3_dna_complex _Saveframe_category molecular_system _Mol_system_name PARP-1_F1F2F3-DNA_complex _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PARP-1_1-362 $PARP-1_1-362 'DNA (45-MER)' $DNA_(45-MER) ZN1 $entity_ZN ZN2 $entity_ZN ZN3 $entity_ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_PARP-1_1-362 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PARP-1_1-362 _Molecular_mass 24106.734 _Mol_thiol_state 'free and other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 362 _Mol_residue_sequence ; MAESSDKLYRVEYAKSGRAS CKKCSESIPKDSLRMAIMVQ SPMFDGKVPHWYHFSCFWKV GHSIRHPDVEVDGFSELRWD DQQKVKKTAEAGGVTGKGQD GIGSKAEKTLGDFAAEYAKS NRSTCKGCMEKIEKGQVRLS KKMVDPEKPQLGMIDRWYHP GCFVKNREELGFRPEYSASQ LKGFSLLATEDKEALKKQLP GVKSEGKRKGDEVDGVDEVA KKKSKKEKDKDSKLEKALKA QNDLIWNIKDELKKVCSTND LKELLIFNKQQVPSGESAIL DRVADGMVFGALLPCEECSG QLVFKSDAYYCTGDVTAWTK CMVKTQTPNRKEWVTPKEFR EISYLKKLKVKKQDRIFPPE TS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 ALA 3 3 GLU 4 4 SER 5 5 SER 6 6 ASP 7 7 LYS 8 8 LEU 9 9 TYR 10 10 ARG 11 11 VAL 12 12 GLU 13 13 TYR 14 14 ALA 15 15 LYS 16 16 SER 17 17 GLY 18 18 ARG 19 19 ALA 20 20 SER 21 21 CYS 22 22 LYS 23 23 LYS 24 24 CYS 25 25 SER 26 26 GLU 27 27 SER 28 28 ILE 29 29 PRO 30 30 LYS 31 31 ASP 32 32 SER 33 33 LEU 34 34 ARG 35 35 MET 36 36 ALA 37 37 ILE 38 38 MET 39 39 VAL 40 40 GLN 41 41 SER 42 42 PRO 43 43 MET 44 44 PHE 45 45 ASP 46 46 GLY 47 47 LYS 48 48 VAL 49 49 PRO 50 50 HIS 51 51 TRP 52 52 TYR 53 53 HIS 54 54 PHE 55 55 SER 56 56 CYS 57 57 PHE 58 58 TRP 59 59 LYS 60 60 VAL 61 61 GLY 62 62 HIS 63 63 SER 64 64 ILE 65 65 ARG 66 66 HIS 67 67 PRO 68 68 ASP 69 69 VAL 70 70 GLU 71 71 VAL 72 72 ASP 73 73 GLY 74 74 PHE 75 75 SER 76 76 GLU 77 77 LEU 78 78 ARG 79 79 TRP 80 80 ASP 81 81 ASP 82 82 GLN 83 83 GLN 84 84 LYS 85 85 VAL 86 86 LYS 87 87 LYS 88 88 THR 89 89 ALA 90 90 GLU 91 91 ALA 92 92 GLY 93 93 GLY 94 94 VAL 95 95 THR 96 96 GLY 97 97 LYS 98 98 GLY 99 99 GLN 100 100 ASP 101 101 GLY 102 102 ILE 103 103 GLY 104 104 SER 105 105 LYS 106 106 ALA 107 107 GLU 108 108 LYS 109 109 THR 110 110 LEU 111 111 GLY 112 112 ASP 113 113 PHE 114 114 ALA 115 115 ALA 116 116 GLU 117 117 TYR 118 118 ALA 119 119 LYS 120 120 SER 121 121 ASN 122 122 ARG 123 123 SER 124 124 THR 125 125 CYS 126 126 LYS 127 127 GLY 128 128 CYS 129 129 MET 130 130 GLU 131 131 LYS 132 132 ILE 133 133 GLU 134 134 LYS 135 135 GLY 136 136 GLN 137 137 VAL 138 138 ARG 139 139 LEU 140 140 SER 141 141 LYS 142 142 LYS 143 143 MET 144 144 VAL 145 145 ASP 146 146 PRO 147 147 GLU 148 148 LYS 149 149 PRO 150 150 GLN 151 151 LEU 152 152 GLY 153 153 MET 154 154 ILE 155 155 ASP 156 156 ARG 157 157 TRP 158 158 TYR 159 159 HIS 160 160 PRO 161 161 GLY 162 162 CYS 163 163 PHE 164 164 VAL 165 165 LYS 166 166 ASN 167 167 ARG 168 168 GLU 169 169 GLU 170 170 LEU 171 171 GLY 172 172 PHE 173 173 ARG 174 174 PRO 175 175 GLU 176 176 TYR 177 177 SER 178 178 ALA 179 179 SER 180 180 GLN 181 181 LEU 182 182 LYS 183 183 GLY 184 184 PHE 185 185 SER 186 186 LEU 187 187 LEU 188 188 ALA 189 189 THR 190 190 GLU 191 191 ASP 192 192 LYS 193 193 GLU 194 194 ALA 195 195 LEU 196 196 LYS 197 197 LYS 198 198 GLN 199 199 LEU 200 200 PRO 201 201 GLY 202 202 VAL 203 203 LYS 204 204 SER 205 205 GLU 206 206 GLY 207 207 LYS 208 208 ARG 209 209 LYS 210 210 GLY 211 211 ASP 212 212 GLU 213 213 VAL 214 214 ASP 215 215 GLY 216 216 VAL 217 217 ASP 218 218 GLU 219 219 VAL 220 220 ALA 221 221 LYS 222 222 LYS 223 223 LYS 224 224 SER 225 225 LYS 226 226 LYS 227 227 GLU 228 228 LYS 229 229 ASP 230 230 LYS 231 231 ASP 232 232 SER 233 233 LYS 234 234 LEU 235 235 GLU 236 236 LYS 237 237 ALA 238 238 LEU 239 239 LYS 240 240 ALA 241 241 GLN 242 242 ASN 243 243 ASP 244 244 LEU 245 245 ILE 246 246 TRP 247 247 ASN 248 248 ILE 249 249 LYS 250 250 ASP 251 251 GLU 252 252 LEU 253 253 LYS 254 254 LYS 255 255 VAL 256 256 CYS 257 257 SER 258 258 THR 259 259 ASN 260 260 ASP 261 261 LEU 262 262 LYS 263 263 GLU 264 264 LEU 265 265 LEU 266 266 ILE 267 267 PHE 268 268 ASN 269 269 LYS 270 270 GLN 271 271 GLN 272 272 VAL 273 273 PRO 274 274 SER 275 275 GLY 276 276 GLU 277 277 SER 278 278 ALA 279 279 ILE 280 280 LEU 281 281 ASP 282 282 ARG 283 283 VAL 284 284 ALA 285 285 ASP 286 286 GLY 287 287 MET 288 288 VAL 289 289 PHE 290 290 GLY 291 291 ALA 292 292 LEU 293 293 LEU 294 294 PRO 295 295 CYS 296 296 GLU 297 297 GLU 298 298 CYS 299 299 SER 300 300 GLY 301 301 GLN 302 302 LEU 303 303 VAL 304 304 PHE 305 305 LYS 306 306 SER 307 307 ASP 308 308 ALA 309 309 TYR 310 310 TYR 311 311 CYS 312 312 THR 313 313 GLY 314 314 ASP 315 315 VAL 316 316 THR 317 317 ALA 318 318 TRP 319 319 THR 320 320 LYS 321 321 CYS 322 322 MET 323 323 VAL 324 324 LYS 325 325 THR 326 326 GLN 327 327 THR 328 328 PRO 329 329 ASN 330 330 ARG 331 331 LYS 332 332 GLU 333 333 TRP 334 334 VAL 335 335 THR 336 336 PRO 337 337 LYS 338 338 GLU 339 339 PHE 340 340 ARG 341 341 GLU 342 342 ILE 343 343 SER 344 344 TYR 345 345 LEU 346 346 LYS 347 347 LYS 348 348 LEU 349 349 LYS 350 350 VAL 351 351 LYS 352 352 LYS 353 353 GLN 354 354 ASP 355 355 ARG 356 356 ILE 357 357 PHE 358 358 PRO 359 359 PRO 360 360 GLU 361 361 THR 362 362 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_DNA_(45-MER) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class DNA _Name_common DNA_(45-MER) _Molecular_mass 13871.971 _Mol_thiol_state 'not present' _Details . _Residue_count 45 _Mol_residue_sequence ; GCTGGCTTCGTAAGAAGCCA GCTCGCGGTCAGCTTGCTGA CCGCG ; loop_ _Residue_seq_code _Residue_label 1 DG 2 DC 3 DT 4 DG 5 DG 6 DC 7 DT 8 DT 9 DC 10 DG 11 DT 12 DA 13 DA 14 DG 15 DA 16 DA 17 DG 18 DC 19 DC 20 DA 21 DG 22 DC 23 DT 24 DC 25 DG 26 DC 27 DG 28 DG 29 DT 30 DC 31 DA 32 DG 33 DC 34 DT 35 DT 36 DG 37 DC 38 DT 39 DG 40 DA 41 DC 42 DC 43 DG 44 DC 45 DG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common 'ZINC ION' _BMRB_code ZN _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $PARP-1_1-362 Human 9606 Eukaryota Metazoa . . $DNA_(45-MER) . . . . . . stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $PARP-1_1-362 'recombinant technology' . . . BL21 DE3 Pet13 $DNA_(45-MER) 'chemical synthesis' . . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; PARP-1 F1F2F3 DNA complex. F1F2F3 was sortase ligated (N.B. additional residues LPETGG inserted between residues 214 and 215; this sample was not used for making any assignments of residues in this region, which is in the flexible linker between domains). Labelling for residues 1-214 (and LPET of insertion): uniform [2H,15N,13C] Labelling for residues 215-362 (and GG of insertion): natural abundance ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PARP-1_1-362 0.2 mM '[U-13C; U-15N; U-2H]-1_214, [natural abundance]-215_362' $DNA_(45-MER) 0.2 mM 'natural abundance' TRIS 50 mM [U-2H] DTT 1 mM [U-2H] ZnSO4 0.1 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % [U-2H] 'sodium chloride' 200 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details ; PARP-1 F1F2F3 DNA complex. F1F2F3 was sortase ligated (N.B. additional residues LPETGG inserted between residues 214 and 215; this sample was not used for making any assignments of residues in this region, which is in the flexible linker between domains). Labelling for residues 1-214 (and LPET of insertion): natural abundance Labelling for residues 215-362 (and GG of insertion): uniform [2H,15N,13C] ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PARP-1_1-362 0.2 mM '[natural abundance]-1_214, [U-13C; U-15N; U-2H]-215_362' $DNA_(45-MER) 0.2 mM 'natural abundance' TRIS 50 mM [U-2H] DTT 1 mM [U-2H] ZnSO4 0.1 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % [U-2H] 'sodium chloride' 200 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details ; PARP-1 F1F2F3 DNA complex. F1F2F3 15N,13C,2H labelled ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PARP-1_1-362 0.2 mM '[U-13C; U-15N; U-2H]' $DNA_(45-MER) 0.2 mM 'natural abundance' TRIS 50 mM [U-2H] DTT 1 mM [U-2H] ZnSO4 0.1 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % [U-2H] 'sodium chloride' 200 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.115 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ save_Analysis _Saveframe_category software _Name Analysis _Version 2.4.1 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 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 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_av800 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance I' _Field_strength 800 _Details . save_ save_av700 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance II+' _Field_strength 700 _Details . save_ save_dmx600 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ save_drx500 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_TROSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY' _Sample_label $sample_1 save_ save_3D_TROSY-HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCA' _Sample_label $sample_1 save_ save_2D_1H-15N_TROSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY' _Sample_label $sample_2 save_ save_3D_TROSY-HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCA' _Sample_label $sample_2 save_ save_2D_1H-15N_TROSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY' _Sample_label $sample_3 save_ save_3D_TROSY-HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCA' _Sample_label $sample_3 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.25 . M pH 7.2 . pH pressure 1 . atm temperature 303 . 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 TSP C 13 'methyl protons' ppm 0.0 external indirect . 'separate tube (no insert) similar to the experimental sample tube' . 0.251449530 TSP H 1 'methyl protons' ppm 0.0 external direct . 'separate tube (no insert) similar to the experimental sample tube' . 1.0 TSP N 15 'methyl protons' ppm 0.0 external indirect . 'separate tube (no insert) similar to the experimental sample tube' . 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_bound_F1F2F3 _Saveframe_category assigned_chemical_shifts _Details ; All amide group chemical shifts derived from TROSY data have been corrected by adding [1J(NH)]/2 in the 1H dimension and subtracting [1J(NH)]/2 in the 15N dimension ; loop_ _Experiment_label '2D 1H-15N TROSY' '3D TROSY-HNCA' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name PARP-1_1-362 _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 4 4 SER H H 8.555 0.02 1 2 4 4 SER CA C 57.949 0.1 1 3 4 4 SER N N 117.202 0.1 1 4 5 5 SER H H 8.388 0.02 1 5 5 5 SER CA C 57.914 0.1 1 6 5 5 SER N N 117.212 0.1 1 7 6 6 ASP H H 8.329 0.02 1 8 6 6 ASP CA C 53.844 0.1 1 9 6 6 ASP N N 122.439 0.1 1 10 7 7 LYS H H 8.183 0.02 1 11 7 7 LYS CA C 55.938 0.1 1 12 7 7 LYS N N 120.669 0.1 1 13 8 8 LEU H H 8.816 0.02 1 14 8 8 LEU CA C 55.525 0.1 1 15 8 8 LEU N N 123.303 0.1 1 16 9 9 TYR H H 6.708 0.02 1 17 9 9 TYR CA C 54.001 0.1 1 18 9 9 TYR N N 110.342 0.1 1 19 10 10 ARG H H 8.419 0.02 1 20 10 10 ARG CA C 54.215 0.1 1 21 10 10 ARG N N 120.814 0.1 1 22 11 11 VAL H H 8.866 0.02 1 23 11 11 VAL CA C 58.111 0.1 1 24 11 11 VAL N N 122.750 0.1 1 25 12 12 GLU H H 8.414 0.02 1 26 12 12 GLU CA C 54.227 0.1 1 27 12 12 GLU N N 119.229 0.1 1 28 13 13 TYR H H 7.858 0.02 1 29 13 13 TYR CA C 56.807 0.1 1 30 13 13 TYR N N 118.377 0.1 1 31 14 14 ALA H H 9.485 0.02 1 32 14 14 ALA CA C 53.803 0.1 1 33 14 14 ALA N N 125.768 0.1 1 34 15 15 LYS H H 6.691 0.02 1 35 15 15 LYS CA C 58.195 0.1 1 36 15 15 LYS N N 121.742 0.1 1 37 16 16 SER H H 7.739 0.02 1 38 16 16 SER CA C 56.491 0.1 1 39 16 16 SER N N 112.938 0.1 1 40 17 17 GLY H H 9.133 0.02 1 41 17 17 GLY CA C 45.073 0.1 1 42 17 17 GLY N N 109.183 0.1 1 43 18 18 ARG H H 8.495 0.02 1 44 18 18 ARG CA C 56.104 0.1 1 45 18 18 ARG N N 115.264 0.1 1 46 19 19 ALA H H 8.835 0.02 1 47 19 19 ALA CA C 51.734 0.1 1 48 19 19 ALA N N 124.048 0.1 1 49 20 20 SER H H 8.627 0.02 1 50 20 20 SER CA C 56.706 0.1 1 51 20 20 SER N N 116.694 0.1 1 52 21 21 CYS H H 8.073 0.02 1 53 21 21 CYS CA C 57.597 0.1 1 54 21 21 CYS N N 125.456 0.1 1 55 22 22 LYS H H 8.613 0.02 1 56 22 22 LYS CA C 56.016 0.1 1 57 22 22 LYS N N 128.613 0.1 1 58 23 23 LYS H H 8.958 0.02 1 59 23 23 LYS CA C 57.237 0.1 1 60 23 23 LYS N N 121.338 0.1 1 61 24 24 CYS H H 8.173 0.02 1 62 24 24 CYS CA C 58.743 0.1 1 63 24 24 CYS N N 116.915 0.1 1 64 25 25 SER H H 8.094 0.02 1 65 25 25 SER CA C 60.903 0.1 1 66 25 25 SER N N 116.232 0.1 1 67 26 26 GLU H H 8.287 0.02 1 68 26 26 GLU CA C 55.072 0.1 1 69 26 26 GLU N N 120.872 0.1 1 70 27 27 SER H H 8.779 0.02 1 71 27 27 SER CA C 58.795 0.1 1 72 27 27 SER N N 116.319 0.1 1 73 28 28 ILE H H 8.438 0.02 1 74 28 28 ILE CA C 58.142 0.1 1 75 28 28 ILE N N 126.696 0.1 1 76 29 29 PRO CA C 62.588 0.1 1 77 30 30 LYS H H 8.743 0.02 1 78 30 30 LYS CA C 58.245 0.1 1 79 30 30 LYS N N 125.128 0.1 1 80 31 31 ASP H H 9.154 0.02 1 81 31 31 ASP CA C 57.474 0.1 1 82 31 31 ASP N N 119.975 0.1 1 83 32 32 SER H H 7.926 0.02 1 84 32 32 SER CA C 58.397 0.1 1 85 32 32 SER N N 115.753 0.1 1 86 33 33 LEU H H 8.872 0.02 1 87 33 33 LEU CA C 55.806 0.1 1 88 33 33 LEU N N 123.376 0.1 1 89 34 34 ARG H H 9.063 0.02 1 90 34 34 ARG CA C 53.563 0.1 1 91 34 34 ARG N N 124.446 0.1 1 92 35 35 MET H H 8.493 0.02 1 93 35 35 MET CA C 52.883 0.1 1 94 35 35 MET N N 118.563 0.1 1 95 36 36 ALA H H 9.445 0.02 1 96 36 36 ALA CA C 49.362 0.1 1 97 36 36 ALA N N 123.325 0.1 1 98 37 37 ILE H H 7.861 0.02 1 99 37 37 ILE CA C 59.614 0.1 1 100 37 37 ILE N N 116.240 0.1 1 101 38 38 MET H H 8.250 0.02 1 102 38 38 MET CA C 52.215 0.1 1 103 38 38 MET N N 124.895 0.1 1 104 39 39 VAL H H 8.474 0.02 1 105 39 39 VAL CA C 59.384 0.1 1 106 39 39 VAL N N 121.436 0.1 1 107 40 40 GLN H H 8.443 0.02 1 108 40 40 GLN CA C 55.673 0.1 1 109 40 40 GLN N N 123.953 0.1 1 110 43 43 MET H H 8.080 0.02 1 111 43 43 MET CA C 55.573 0.1 1 112 43 43 MET N N 116.189 0.1 1 113 44 44 PHE H H 7.050 0.02 1 114 44 44 PHE CA C 54.795 0.1 1 115 44 44 PHE N N 115.285 0.1 1 116 45 45 ASP H H 8.442 0.02 1 117 45 45 ASP CA C 53.185 0.1 1 118 45 45 ASP N N 118.908 0.1 1 119 46 46 GLY H H 7.433 0.02 1 120 46 46 GLY CA C 44.231 0.1 1 121 46 46 GLY N N 111.060 0.1 1 122 47 47 LYS H H 8.083 0.02 1 123 47 47 LYS CA C 54.099 0.1 1 124 47 47 LYS N N 116.970 0.1 1 125 48 48 VAL H H 8.955 0.02 1 126 48 48 VAL CA C 56.692 0.1 1 127 48 48 VAL N N 116.672 0.1 1 128 49 49 PRO CA C 61.629 0.1 1 129 50 50 HIS H H 8.754 0.02 1 130 50 50 HIS CA C 54.460 0.1 1 131 50 50 HIS N N 125.438 0.1 1 132 51 51 TRP H H 8.657 0.02 1 133 51 51 TRP HE1 H 10.563 0.02 1 134 51 51 TRP CA C 56.989 0.1 1 135 51 51 TRP N N 121.077 0.1 1 136 51 51 TRP NE1 N 130.112 0.1 1 137 52 52 TYR H H 9.359 0.02 1 138 52 52 TYR CA C 56.049 0.1 1 139 52 52 TYR N N 114.144 0.1 1 140 53 53 HIS H H 8.820 0.02 1 141 53 53 HIS CA C 59.627 0.1 1 142 53 53 HIS N N 118.720 0.1 1 143 54 54 PHE H H 8.573 0.02 1 144 54 54 PHE CA C 63.474 0.1 1 145 54 54 PHE N N 123.112 0.1 1 146 55 55 SER H H 9.201 0.02 1 147 55 55 SER CA C 61.163 0.1 1 148 55 55 SER N N 109.027 0.1 1 149 56 56 CYS H H 7.025 0.02 1 150 56 56 CYS CA C 62.858 0.1 1 151 56 56 CYS N N 119.610 0.1 1 152 57 57 PHE H H 8.035 0.02 1 153 57 57 PHE CA C 60.983 0.1 1 154 57 57 PHE N N 117.719 0.1 1 155 58 58 TRP H H 6.516 0.02 1 156 58 58 TRP CA C 56.535 0.1 1 157 58 58 TRP N N 114.695 0.1 1 158 59 59 LYS H H 7.573 0.02 1 159 59 59 LYS CA C 56.587 0.1 1 160 59 59 LYS N N 117.426 0.1 1 161 60 60 VAL H H 7.083 0.02 1 162 60 60 VAL CA C 61.936 0.1 1 163 60 60 VAL N N 114.495 0.1 1 164 61 61 GLY H H 7.425 0.02 1 165 61 61 GLY CA C 45.145 0.1 1 166 61 61 GLY N N 105.653 0.1 1 167 62 62 HIS H H 7.290 0.02 1 168 62 62 HIS CA C 55.887 0.1 1 169 62 62 HIS N N 119.311 0.1 1 170 63 63 SER H H 8.408 0.02 1 171 63 63 SER CA C 56.863 0.1 1 172 63 63 SER N N 116.869 0.1 1 173 64 64 ILE H H 8.779 0.02 1 174 64 64 ILE CA C 60.159 0.1 1 175 64 64 ILE N N 125.648 0.1 1 176 65 65 ARG H H 8.999 0.02 1 177 65 65 ARG CA C 56.947 0.1 1 178 65 65 ARG N N 126.711 0.1 1 179 66 66 HIS H H 8.803 0.02 1 180 66 66 HIS CA C 51.984 0.1 1 181 66 66 HIS N N 116.275 0.1 1 182 67 67 PRO CA C 65.160 0.1 1 183 68 68 ASP H H 8.530 0.02 1 184 68 68 ASP CA C 54.998 0.1 1 185 68 68 ASP N N 110.963 0.1 1 186 69 69 VAL H H 7.169 0.02 1 187 69 69 VAL CA C 62.322 0.1 1 188 69 69 VAL N N 114.767 0.1 1 189 70 70 GLU H H 7.901 0.02 1 190 70 70 GLU CA C 57.501 0.1 1 191 70 70 GLU N N 115.783 0.1 1 192 71 71 VAL H H 7.860 0.02 1 193 71 71 VAL CA C 60.241 0.1 1 194 71 71 VAL N N 116.886 0.1 1 195 72 72 ASP H H 9.053 0.02 1 196 72 72 ASP CA C 55.700 0.1 1 197 72 72 ASP N N 131.527 0.1 1 198 73 73 GLY H H 8.713 0.02 1 199 73 73 GLY CA C 44.906 0.1 1 200 73 73 GLY N N 113.131 0.1 1 201 74 74 PHE H H 7.659 0.02 1 202 74 74 PHE CA C 62.226 0.1 1 203 74 74 PHE N N 122.723 0.1 1 204 75 75 SER H H 8.716 0.02 1 205 75 75 SER CA C 60.109 0.1 1 206 75 75 SER N N 109.160 0.1 1 207 76 76 GLU H H 7.437 0.02 1 208 76 76 GLU CA C 56.061 0.1 1 209 76 76 GLU N N 118.196 0.1 1 210 77 77 LEU H H 7.091 0.02 1 211 77 77 LEU CA C 53.862 0.1 1 212 77 77 LEU N N 118.230 0.1 1 213 78 78 ARG H H 8.621 0.02 1 214 78 78 ARG CA C 57.104 0.1 1 215 78 78 ARG N N 120.344 0.1 1 216 79 79 TRP HE1 H 10.187 0.02 1 217 79 79 TRP CA C 61.667 0.1 1 218 79 79 TRP NE1 N 129.593 0.1 1 219 80 80 ASP H H 9.119 0.02 1 220 80 80 ASP CA C 56.894 0.1 1 221 80 80 ASP N N 115.322 0.1 1 222 81 81 ASP H H 7.216 0.02 1 223 81 81 ASP CA C 56.526 0.1 1 224 81 81 ASP N N 119.432 0.1 1 225 82 82 GLN H H 8.103 0.02 1 226 82 82 GLN CA C 59.367 0.1 1 227 82 82 GLN N N 121.291 0.1 1 228 83 83 GLN H H 7.622 0.02 1 229 83 83 GLN CA C 57.527 0.1 1 230 83 83 GLN N N 115.002 0.1 1 231 84 84 LYS H H 7.614 0.02 1 232 84 84 LYS CA C 59.346 0.1 1 233 84 84 LYS N N 120.215 0.1 1 234 85 85 VAL H H 8.498 0.02 1 235 85 85 VAL CA C 67.224 0.1 1 236 85 85 VAL N N 121.182 0.1 1 237 86 86 LYS H H 8.295 0.02 1 238 86 86 LYS CA C 60.311 0.1 1 239 86 86 LYS N N 118.247 0.1 1 240 87 87 LYS H H 8.681 0.02 1 241 87 87 LYS CA C 58.520 0.1 1 242 87 87 LYS N N 117.571 0.1 1 243 88 88 THR H H 7.869 0.02 1 244 88 88 THR CA C 66.112 0.1 1 245 88 88 THR N N 116.165 0.1 1 246 89 89 ALA H H 7.880 0.02 1 247 89 89 ALA CA C 54.216 0.1 1 248 89 89 ALA N N 123.091 0.1 1 249 90 90 GLU H H 7.722 0.02 1 250 90 90 GLU CA C 57.817 0.1 1 251 90 90 GLU N N 116.678 0.1 1 252 91 91 ALA H H 7.498 0.02 1 253 91 91 ALA CA C 52.555 0.1 1 254 91 91 ALA N N 120.577 0.1 1 255 92 92 GLY H H 7.928 0.02 1 256 92 92 GLY CA C 45.213 0.1 1 257 92 92 GLY N N 106.531 0.1 1 258 93 93 GLY H H 7.890 0.02 1 259 93 93 GLY CA C 44.511 0.1 1 260 93 93 GLY N N 106.896 0.1 1 261 94 94 VAL H H 7.859 0.02 1 262 94 94 VAL CA C 61.927 0.1 1 263 94 94 VAL N N 118.154 0.1 1 264 95 95 THR H H 8.187 0.02 1 265 95 95 THR CA C 61.515 0.1 1 266 95 95 THR N N 117.045 0.1 1 267 96 96 GLY H H 8.363 0.02 1 268 96 96 GLY CA C 44.923 0.1 1 269 96 96 GLY N N 110.960 0.1 1 270 97 97 LYS H H 8.273 0.02 1 271 97 97 LYS CA C 55.955 0.1 1 272 97 97 LYS N N 120.858 0.1 1 273 98 98 GLY H H 8.523 0.02 1 274 98 98 GLY CA C 45.005 0.1 1 275 98 98 GLY N N 110.049 0.1 1 276 99 99 GLN H H 8.322 0.02 1 277 99 99 GLN CA C 55.547 0.1 1 278 99 99 GLN N N 119.874 0.1 1 279 100 100 ASP H H 8.398 0.02 1 280 100 100 ASP CA C 54.305 0.1 1 281 100 100 ASP N N 120.781 0.1 1 282 101 101 GLY H H 8.291 0.02 1 283 101 101 GLY CA C 45.090 0.1 1 284 101 101 GLY N N 108.697 0.1 1 285 102 102 ILE H H 8.021 0.02 1 286 102 102 ILE CA C 61.163 0.1 1 287 102 102 ILE N N 119.933 0.1 1 288 103 103 GLY H H 8.554 0.02 1 289 103 103 GLY CA C 44.985 0.1 1 290 103 103 GLY N N 112.366 0.1 1 291 105 105 LYS CA C 56.156 0.1 1 292 106 106 ALA H H 8.176 0.02 1 293 106 106 ALA CA C 52.278 0.1 1 294 106 106 ALA N N 124.091 0.1 1 295 107 107 GLU H H 8.256 0.02 1 296 107 107 GLU CA C 55.819 0.1 1 297 107 107 GLU N N 119.395 0.1 1 298 108 108 LYS H H 8.561 0.02 1 299 108 108 LYS CA C 56.117 0.1 1 300 108 108 LYS N N 123.490 0.1 1 301 109 109 THR H H 8.065 0.02 1 302 109 109 THR CA C 62.134 0.1 1 303 109 109 THR N N 115.913 0.1 1 304 110 110 LEU H H 8.946 0.02 1 305 110 110 LEU CA C 54.281 0.1 1 306 110 110 LEU N N 127.178 0.1 1 307 111 111 GLY H H 8.439 0.02 1 308 111 111 GLY CA C 45.721 0.1 1 309 111 111 GLY N N 106.958 0.1 1 310 112 112 ASP H H 8.712 0.02 1 311 112 112 ASP CA C 53.477 0.1 1 312 112 112 ASP N N 115.683 0.1 1 313 113 113 PHE H H 7.280 0.02 1 314 113 113 PHE CA C 56.174 0.1 1 315 113 113 PHE N N 116.049 0.1 1 316 114 114 ALA H H 8.391 0.02 1 317 114 114 ALA CA C 50.527 0.1 1 318 114 114 ALA N N 123.430 0.1 1 319 115 115 ALA H H 8.624 0.02 1 320 115 115 ALA CA C 50.132 0.1 1 321 115 115 ALA N N 118.412 0.1 1 322 116 116 GLU H H 8.718 0.02 1 323 116 116 GLU CA C 54.322 0.1 1 324 116 116 GLU N N 114.776 0.1 1 325 117 117 TYR H H 7.933 0.02 1 326 117 117 TYR CA C 57.668 0.1 1 327 117 117 TYR N N 117.274 0.1 1 328 118 118 ALA H H 9.303 0.02 1 329 118 118 ALA CA C 53.329 0.1 1 330 118 118 ALA N N 124.672 0.1 1 331 119 119 LYS H H 6.714 0.02 1 332 119 119 LYS CA C 57.922 0.1 1 333 119 119 LYS N N 121.733 0.1 1 334 120 120 SER H H 7.573 0.02 1 335 120 120 SER CA C 56.930 0.1 1 336 120 120 SER N N 112.396 0.1 1 337 122 122 ARG H H 8.689 0.02 1 338 122 122 ARG CA C 56.403 0.1 1 339 122 122 ARG N N 115.139 0.1 1 340 123 123 SER CA C 57.631 0.1 1 341 124 124 THR H H 8.722 0.02 1 342 124 124 THR CA C 61.550 0.1 1 343 124 124 THR N N 118.469 0.1 1 344 125 125 CYS H H 8.347 0.02 1 345 125 125 CYS CA C 57.132 0.1 1 346 125 125 CYS N N 126.620 0.1 1 347 126 126 LYS H H 8.665 0.02 1 348 126 126 LYS CA C 55.111 0.1 1 349 126 126 LYS N N 128.606 0.1 1 350 127 127 GLY H H 9.147 0.02 1 351 127 127 GLY CA C 45.555 0.1 1 352 127 127 GLY N N 111.465 0.1 1 353 128 128 CYS H H 8.128 0.02 1 354 128 128 CYS CA C 58.115 0.1 1 355 128 128 CYS N N 119.555 0.1 1 356 129 129 MET H H 8.171 0.02 1 357 129 129 MET CA C 56.508 0.1 1 358 129 129 MET N N 117.503 0.1 1 359 130 130 GLU H H 8.341 0.02 1 360 130 130 GLU CA C 54.514 0.1 1 361 130 130 GLU N N 119.140 0.1 1 362 131 131 LYS H H 8.671 0.02 1 363 131 131 LYS CA C 56.043 0.1 1 364 131 131 LYS N N 119.615 0.1 1 365 132 132 ILE H H 8.124 0.02 1 366 132 132 ILE CA C 60.329 0.1 1 367 132 132 ILE N N 124.220 0.1 1 368 133 133 GLU H H 8.787 0.02 1 369 133 133 GLU CA C 56.201 0.1 1 370 133 133 GLU N N 128.950 0.1 1 371 134 134 LYS H H 8.318 0.02 1 372 134 134 LYS CA C 57.992 0.1 1 373 134 134 LYS N N 122.273 0.1 1 374 135 135 GLY H H 8.835 0.02 1 375 135 135 GLY CA C 44.792 0.1 1 376 135 135 GLY N N 113.766 0.1 1 377 136 136 GLN H H 7.674 0.02 1 378 136 136 GLN CA C 54.541 0.1 1 379 136 136 GLN N N 118.350 0.1 1 380 137 137 VAL H H 8.894 0.02 1 381 137 137 VAL CA C 64.088 0.1 1 382 137 137 VAL N N 122.722 0.1 1 383 138 138 ARG H H 8.927 0.02 1 384 138 138 ARG CA C 53.241 0.1 1 385 138 138 ARG N N 121.415 0.1 1 386 139 139 LEU H H 9.091 0.02 1 387 139 139 LEU CA C 52.468 0.1 1 388 139 139 LEU N N 121.491 0.1 1 389 140 140 SER H H 9.301 0.02 1 390 140 140 SER CA C 54.427 0.1 1 391 140 140 SER N N 115.868 0.1 1 392 141 141 LYS H H 7.843 0.02 1 393 141 141 LYS CA C 54.787 0.1 1 394 141 141 LYS N N 118.779 0.1 1 395 142 142 LYS H H 8.109 0.02 1 396 142 142 LYS CA C 54.523 0.1 1 397 142 142 LYS N N 126.527 0.1 1 398 143 143 MET H H 8.806 0.02 1 399 143 143 MET CA C 54.810 0.1 1 400 143 143 MET N N 119.832 0.1 1 401 144 144 VAL H H 8.261 0.02 1 402 144 144 VAL CA C 61.735 0.1 1 403 144 144 VAL N N 122.305 0.1 1 404 145 145 ASP H H 9.857 0.02 1 405 145 145 ASP CA C 50.465 0.1 1 406 145 145 ASP N N 131.705 0.1 1 407 146 146 PRO CA C 63.728 0.1 1 408 147 147 GLU H H 8.354 0.02 1 409 147 147 GLU CA C 56.640 0.1 1 410 147 147 GLU N N 115.410 0.1 1 411 148 148 LYS H H 7.695 0.02 1 412 148 148 LYS CA C 53.083 0.1 1 413 148 148 LYS N N 117.972 0.1 1 414 149 149 PRO CA C 64.482 0.1 1 415 150 150 GLN H H 9.391 0.02 1 416 150 150 GLN CA C 56.868 0.1 1 417 150 150 GLN N N 119.502 0.1 1 418 151 151 LEU H H 7.184 0.02 1 419 151 151 LEU CA C 54.459 0.1 1 420 151 151 LEU N N 117.668 0.1 1 421 152 152 GLY H H 7.484 0.02 1 422 152 152 GLY CA C 44.233 0.1 1 423 152 152 GLY N N 103.976 0.1 1 424 153 153 MET H H 8.281 0.02 1 425 153 153 MET CA C 55.660 0.1 1 426 153 153 MET N N 119.898 0.1 1 427 154 154 ILE H H 8.197 0.02 1 428 154 154 ILE CA C 58.864 0.1 1 429 154 154 ILE N N 121.488 0.1 1 430 155 155 ASP H H 8.175 0.02 1 431 155 155 ASP CA C 55.764 0.1 1 432 155 155 ASP N N 119.176 0.1 1 433 156 156 ARG H H 7.840 0.02 1 434 156 156 ARG CA C 54.620 0.1 1 435 156 156 ARG N N 123.712 0.1 1 436 157 157 TRP H H 8.560 0.02 1 437 157 157 TRP CA C 56.745 0.1 1 438 157 157 TRP N N 122.247 0.1 1 439 158 158 TYR H H 9.786 0.02 1 440 158 158 TYR CA C 56.324 0.1 1 441 158 158 TYR N N 114.458 0.1 1 442 159 159 HIS H H 9.510 0.02 1 443 159 159 HIS CA C 57.316 0.1 1 444 159 159 HIS N N 120.626 0.1 1 445 160 160 PRO CA C 66.556 0.1 1 446 161 161 GLY H H 9.270 0.02 1 447 161 161 GLY CA C 46.495 0.1 1 448 161 161 GLY N N 102.582 0.1 1 449 162 162 CYS H H 7.201 0.02 1 450 162 162 CYS CA C 62.068 0.1 1 451 162 162 CYS N N 122.146 0.1 1 452 163 163 PHE H H 8.684 0.02 1 453 163 163 PHE CA C 60.847 0.1 1 454 163 163 PHE N N 123.982 0.1 1 455 164 164 VAL H H 8.255 0.02 1 456 164 164 VAL CA C 66.724 0.1 1 457 164 164 VAL N N 115.864 0.1 1 458 165 165 LYS H H 7.527 0.02 1 459 165 165 LYS CA C 58.721 0.1 1 460 165 165 LYS N N 118.406 0.1 1 461 166 166 ASN H H 7.200 0.02 1 462 166 166 ASN CA C 52.617 0.1 1 463 166 166 ASN N N 115.741 0.1 1 464 167 167 ARG H H 7.138 0.02 1 465 167 167 ARG CA C 60.522 0.1 1 466 167 167 ARG N N 119.265 0.1 1 467 168 168 GLU H H 8.447 0.02 1 468 168 168 GLU CA C 59.160 0.1 1 469 168 168 GLU N N 118.482 0.1 1 470 169 169 GLU H H 8.432 0.02 1 471 169 169 GLU CA C 58.889 0.1 1 472 169 169 GLU N N 123.026 0.1 1 473 170 170 LEU H H 7.781 0.02 1 474 170 170 LEU CA C 54.971 0.1 1 475 170 170 LEU N N 116.093 0.1 1 476 171 171 GLY H H 7.763 0.02 1 477 171 171 GLY CA C 45.239 0.1 1 478 171 171 GLY N N 106.710 0.1 1 479 172 172 PHE H H 8.154 0.02 1 480 172 172 PHE CA C 57.729 0.1 1 481 172 172 PHE N N 123.791 0.1 1 482 173 173 ARG H H 5.954 0.02 1 483 173 173 ARG CA C 55.191 0.1 1 484 173 173 ARG N N 126.812 0.1 1 485 174 174 PRO CA C 64.870 0.1 1 486 175 175 GLU H H 9.001 0.02 1 487 175 175 GLU CA C 56.921 0.1 1 488 175 175 GLU N N 112.664 0.1 1 489 176 176 TYR H H 7.531 0.02 1 490 176 176 TYR CA C 52.916 0.1 1 491 176 176 TYR N N 122.403 0.1 1 492 177 177 SER H H 8.150 0.02 1 493 177 177 SER CA C 55.367 0.1 1 494 177 177 SER N N 112.107 0.1 1 495 178 178 ALA H H 8.468 0.02 1 496 178 178 ALA CA C 53.953 0.1 1 497 178 178 ALA N N 121.882 0.1 1 498 179 179 SER H H 7.509 0.02 1 499 179 179 SER CA C 58.827 0.1 1 500 179 179 SER N N 106.430 0.1 1 501 180 180 GLN H H 7.622 0.02 1 502 180 180 GLN CA C 55.990 0.1 1 503 180 180 GLN N N 118.417 0.1 1 504 181 181 LEU H H 7.692 0.02 1 505 181 181 LEU CA C 55.139 0.1 1 506 181 181 LEU N N 119.534 0.1 1 507 182 182 LYS H H 9.109 0.02 1 508 182 182 LYS CA C 58.608 0.1 1 509 182 182 LYS N N 128.445 0.1 1 510 183 183 GLY H H 8.976 0.02 1 511 183 183 GLY CA C 44.861 0.1 1 512 183 183 GLY N N 114.407 0.1 1 513 184 184 PHE H H 8.212 0.02 1 514 184 184 PHE CA C 61.627 0.1 1 515 184 184 PHE N N 123.122 0.1 1 516 185 185 SER H H 8.534 0.02 1 517 185 185 SER CA C 60.567 0.1 1 518 185 185 SER N N 107.724 0.1 1 519 186 186 LEU H H 7.421 0.02 1 520 186 186 LEU CA C 54.629 0.1 1 521 186 186 LEU N N 119.778 0.1 1 522 187 187 LEU H H 7.271 0.02 1 523 187 187 LEU CA C 54.115 0.1 1 524 187 187 LEU N N 119.042 0.1 1 525 188 188 ALA H H 8.764 0.02 1 526 188 188 ALA CA C 51.748 0.1 1 527 188 188 ALA N N 122.170 0.1 1 528 189 189 THR H H 8.899 0.02 1 529 189 189 THR CA C 67.101 0.1 1 530 189 189 THR N N 118.941 0.1 1 531 190 190 GLU H H 9.652 0.02 1 532 190 190 GLU CA C 59.521 0.1 1 533 190 190 GLU N N 118.460 0.1 1 534 191 191 ASP H H 7.128 0.02 1 535 191 191 ASP CA C 56.939 0.1 1 536 191 191 ASP N N 118.692 0.1 1 537 192 192 LYS H H 8.231 0.02 1 538 192 192 LYS CA C 60.127 0.1 1 539 192 192 LYS N N 120.857 0.1 1 540 193 193 GLU H H 8.253 0.02 1 541 193 193 GLU CA C 58.572 0.1 1 542 193 193 GLU N N 115.956 0.1 1 543 194 194 ALA H H 7.613 0.02 1 544 194 194 ALA CA C 54.770 0.1 1 545 194 194 ALA N N 121.120 0.1 1 546 195 195 LEU H H 8.085 0.02 1 547 195 195 LEU CA C 57.259 0.1 1 548 195 195 LEU N N 118.207 0.1 1 549 196 196 LYS H H 8.451 0.02 1 550 196 196 LYS CA C 59.481 0.1 1 551 196 196 LYS N N 118.903 0.1 1 552 197 197 LYS H H 7.322 0.02 1 553 197 197 LYS CA C 58.028 0.1 1 554 197 197 LYS N N 115.349 0.1 1 555 198 198 GLN H H 7.335 0.02 1 556 198 198 GLN CA C 57.290 0.1 1 557 198 198 GLN N N 115.871 0.1 1 558 199 199 LEU H H 8.049 0.02 1 559 199 199 LEU CA C 61.058 0.1 1 560 199 199 LEU N N 117.916 0.1 1 561 200 200 PRO CA C 63.535 0.1 1 562 201 201 GLY H H 8.418 0.02 1 563 201 201 GLY CA C 44.229 0.1 1 564 201 201 GLY N N 108.535 0.1 1 565 202 202 VAL H H 8.089 0.02 1 566 202 202 VAL CA C 61.339 0.1 1 567 202 202 VAL N N 120.227 0.1 1 568 203 203 LYS H H 8.397 0.02 1 569 203 203 LYS CA C 55.657 0.1 1 570 203 203 LYS N N 125.091 0.1 1 571 204 204 SER H H 8.397 0.02 1 572 204 204 SER CA C 57.834 0.1 1 573 204 204 SER N N 117.804 0.1 1 574 205 205 GLU H H 8.542 0.02 1 575 205 205 GLU CA C 56.279 0.1 1 576 205 205 GLU N N 123.190 0.1 1 577 206 206 GLY H H 8.409 0.02 1 578 206 206 GLY CA C 44.862 0.1 1 579 206 206 GLY N N 109.676 0.1 1 580 207 207 LYS H H 8.157 0.02 1 581 207 207 LYS CA C 55.735 0.1 1 582 207 207 LYS N N 120.952 0.1 1 583 208 208 ARG H H 8.432 0.02 1 584 208 208 ARG CA C 55.665 0.1 1 585 208 208 ARG N N 122.749 0.1 1 586 209 209 LYS CA C 56.305 0.1 1 587 210 210 GLY H H 8.564 0.02 1 588 210 210 GLY CA C 45.006 0.1 1 589 210 210 GLY N N 110.391 0.1 1 590 211 211 ASP H H 8.228 0.02 1 591 211 211 ASP CA C 54.035 0.1 1 592 211 211 ASP N N 120.162 0.1 1 593 212 212 GLU H H 8.421 0.02 1 594 212 212 GLU CA C 56.412 0.1 1 595 212 212 GLU N N 120.562 0.1 1 596 213 213 VAL H H 8.055 0.02 1 597 213 213 VAL CA C 61.620 0.1 1 598 213 213 VAL N N 119.775 0.1 1 599 214 214 ASP H H 8.344 0.02 1 600 214 214 ASP CA C 53.794 0.1 1 601 214 214 ASP N N 123.542 0.1 1 602 215 215 GLY H H 8.387 0.02 1 603 215 215 GLY CA C 44.835 0.1 1 604 215 215 GLY N N 108.983 0.1 1 605 216 216 VAL H H 8.069 0.02 1 606 216 216 VAL CA C 62.161 0.1 1 607 216 216 VAL N N 118.810 0.1 1 608 217 217 ASP H H 8.404 0.02 1 609 217 217 ASP CA C 54.153 0.1 1 610 217 217 ASP N N 122.924 0.1 1 611 218 218 GLU H H 8.278 0.02 1 612 218 218 GLU CA C 56.963 0.1 1 613 218 218 GLU N N 121.297 0.1 1 614 219 219 VAL H H 8.061 0.02 1 615 219 219 VAL CA C 63.260 0.1 1 616 219 219 VAL N N 120.435 0.1 1 617 220 220 ALA H H 8.169 0.02 1 618 220 220 ALA CA C 52.801 0.1 1 619 220 220 ALA N N 125.118 0.1 1 620 221 221 LYS H H 8.052 0.02 1 621 221 221 LYS CA C 56.586 0.1 1 622 221 221 LYS N N 119.374 0.1 1 623 222 222 LYS H H 8.232 0.02 1 624 222 222 LYS CA C 56.322 0.1 1 625 222 222 LYS N N 121.937 0.1 1 626 226 226 LYS H H 8.290 0.02 1 627 226 226 LYS CA C 56.603 0.1 1 628 226 226 LYS N N 121.629 0.1 1 629 227 227 GLU H H 8.357 0.02 1 630 227 227 GLU N N 121.561 0.1 1 631 228 228 LYS H H 8.314 0.02 1 632 228 228 LYS CA C 56.731 0.1 1 633 228 228 LYS N N 121.811 0.1 1 634 229 229 ASP H H 8.412 0.02 1 635 229 229 ASP CA C 54.689 0.1 1 636 229 229 ASP N N 121.098 0.1 1 637 230 230 LYS H H 8.175 0.02 1 638 230 230 LYS CA C 56.990 0.1 1 639 230 230 LYS N N 121.305 0.1 1 640 231 231 ASP H H 8.397 0.02 1 641 231 231 ASP CA C 54.580 0.1 1 642 231 231 ASP N N 121.083 0.1 1 643 232 232 SER H H 8.427 0.02 1 644 232 232 SER N N 117.541 0.1 1 645 233 233 LYS H H 8.363 0.02 1 646 233 233 LYS CA C 59.071 0.1 1 647 233 233 LYS N N 122.593 0.1 1 648 234 234 LEU H H 8.121 0.02 1 649 234 234 LEU CA C 57.340 0.1 1 650 234 234 LEU N N 121.837 0.1 1 651 235 235 GLU H H 8.175 0.02 1 652 235 235 GLU CA C 59.501 0.1 1 653 235 235 GLU N N 119.034 0.1 1 654 236 236 LYS H H 8.096 0.02 1 655 236 236 LYS CA C 59.220 0.1 1 656 236 236 LYS N N 119.056 0.1 1 657 237 237 ALA H H 8.033 0.02 1 658 237 237 ALA CA C 54.508 0.1 1 659 237 237 ALA N N 123.603 0.1 1 660 238 238 LEU H H 8.723 0.02 1 661 238 238 LEU CA C 57.605 0.1 1 662 238 238 LEU N N 121.816 0.1 1 663 239 239 LYS H H 7.959 0.02 1 664 239 239 LYS CA C 59.264 0.1 1 665 239 239 LYS N N 120.514 0.1 1 666 240 240 ALA H H 7.939 0.02 1 667 240 240 ALA CA C 54.540 0.1 1 668 240 240 ALA N N 119.804 0.1 1 669 241 241 GLN H H 8.021 0.02 1 670 241 241 GLN CA C 58.918 0.1 1 671 241 241 GLN N N 119.621 0.1 1 672 242 242 ASN H H 8.509 0.02 1 673 242 242 ASN CA C 56.000 0.1 1 674 242 242 ASN N N 118.821 0.1 1 675 243 243 ASP H H 8.825 0.02 1 676 243 243 ASP CA C 57.042 0.1 1 677 243 243 ASP N N 120.979 0.1 1 678 244 244 LEU H H 7.850 0.02 1 679 244 244 LEU CA C 57.267 0.1 1 680 244 244 LEU N N 122.452 0.1 1 681 245 245 ILE H H 8.081 0.02 1 682 245 245 ILE CA C 64.603 0.1 1 683 245 245 ILE N N 118.338 0.1 1 684 246 246 TRP H H 8.419 0.02 1 685 246 246 TRP CA C 61.579 0.1 1 686 246 246 TRP N N 118.996 0.1 1 687 247 247 ASN H H 8.460 0.02 1 688 247 247 ASN CA C 56.416 0.1 1 689 247 247 ASN N N 118.086 0.1 1 690 248 248 ILE H H 8.337 0.02 1 691 248 248 ILE CA C 64.329 0.1 1 692 248 248 ILE N N 120.523 0.1 1 693 249 249 LYS H H 8.262 0.02 1 694 249 249 LYS CA C 60.977 0.1 1 695 249 249 LYS N N 118.797 0.1 1 696 250 250 ASP H H 8.016 0.02 1 697 250 250 ASP CA C 57.329 0.1 1 698 250 250 ASP N N 117.764 0.1 1 699 251 251 GLU H H 7.901 0.02 1 700 251 251 GLU CA C 58.826 0.1 1 701 251 251 GLU N N 118.404 0.1 1 702 252 252 LEU H H 8.801 0.02 1 703 252 252 LEU CA C 57.784 0.1 1 704 252 252 LEU N N 119.000 0.1 1 705 253 253 LYS H H 7.815 0.02 1 706 253 253 LYS CA C 58.002 0.1 1 707 253 253 LYS N N 115.190 0.1 1 708 254 254 LYS H H 7.383 0.02 1 709 254 254 LYS CA C 58.195 0.1 1 710 254 254 LYS N N 116.073 0.1 1 711 255 255 VAL H H 7.590 0.02 1 712 255 255 VAL CA C 61.794 0.1 1 713 255 255 VAL N N 109.928 0.1 1 714 256 256 CYS H H 8.285 0.02 1 715 256 256 CYS CA C 58.272 0.1 1 716 256 256 CYS N N 118.816 0.1 1 717 257 257 SER H H 9.328 0.02 1 718 257 257 SER CA C 56.281 0.1 1 719 257 257 SER N N 118.980 0.1 1 720 258 258 THR H H 8.990 0.02 1 721 258 258 THR CA C 66.992 0.1 1 722 258 258 THR N N 117.638 0.1 1 723 259 259 ASN H H 8.476 0.02 1 724 259 259 ASN CA C 56.603 0.1 1 725 259 259 ASN N N 119.037 0.1 1 726 260 260 ASP H H 7.986 0.02 1 727 260 260 ASP CA C 57.236 0.1 1 728 260 260 ASP N N 120.897 0.1 1 729 261 261 LEU H H 7.787 0.02 1 730 261 261 LEU CA C 57.587 0.1 1 731 261 261 LEU N N 117.483 0.1 1 732 262 262 LYS H H 8.235 0.02 1 733 262 262 LYS CA C 60.617 0.1 1 734 262 262 LYS N N 117.782 0.1 1 735 263 263 GLU H H 8.064 0.02 1 736 263 263 GLU CA C 59.027 0.1 1 737 263 263 GLU N N 116.910 0.1 1 738 264 264 LEU H H 8.049 0.02 1 739 264 264 LEU CA C 57.973 0.1 1 740 264 264 LEU N N 119.952 0.1 1 741 265 265 LEU H H 7.847 0.02 1 742 265 265 LEU CA C 58.500 0.1 1 743 265 265 LEU N N 119.776 0.1 1 744 266 266 ILE H H 8.509 0.02 1 745 266 266 ILE CA C 64.894 0.1 1 746 266 266 ILE N N 121.265 0.1 1 747 267 267 PHE H H 8.871 0.02 1 748 267 267 PHE CA C 60.986 0.1 1 749 267 267 PHE N N 123.133 0.1 1 750 268 268 ASN H H 7.120 0.02 1 751 268 268 ASN CA C 53.731 0.1 1 752 268 268 ASN N N 113.081 0.1 1 753 269 269 LYS H H 8.335 0.02 1 754 269 269 LYS CA C 56.612 0.1 1 755 269 269 LYS N N 118.081 0.1 1 756 270 270 GLN H H 8.362 0.02 1 757 270 270 GLN CA C 51.820 0.1 1 758 270 270 GLN N N 116.323 0.1 1 759 271 271 GLN H H 8.186 0.02 1 760 271 271 GLN CA C 55.558 0.1 1 761 271 271 GLN N N 120.626 0.1 1 762 272 272 VAL H H 8.599 0.02 1 763 272 272 VAL CA C 59.343 0.1 1 764 272 272 VAL N N 123.807 0.1 1 765 273 273 PRO CA C 61.662 0.1 1 766 274 274 SER H H 8.242 0.02 1 767 274 274 SER CA C 58.808 0.1 1 768 274 274 SER N N 111.197 0.1 1 769 275 275 GLY H H 8.275 0.02 1 770 275 275 GLY CA C 44.509 0.1 1 771 275 275 GLY N N 111.974 0.1 1 772 276 276 GLU H H 8.825 0.02 1 773 276 276 GLU CA C 60.134 0.1 1 774 276 276 GLU N N 124.231 0.1 1 775 277 277 SER CA C 61.258 0.1 1 776 278 278 ALA H H 7.615 0.02 1 777 278 278 ALA CA C 54.311 0.1 1 778 278 278 ALA N N 124.475 0.1 1 779 279 279 ILE H H 7.993 0.02 1 780 279 279 ILE CA C 66.204 0.1 1 781 279 279 ILE N N 119.034 0.1 1 782 280 280 LEU H H 7.856 0.02 1 783 280 280 LEU CA C 58.140 0.1 1 784 280 280 LEU N N 118.456 0.1 1 785 281 281 ASP H H 8.098 0.02 1 786 281 281 ASP CA C 57.754 0.1 1 787 281 281 ASP N N 117.447 0.1 1 788 282 282 ARG H H 8.266 0.02 1 789 282 282 ARG CA C 58.694 0.1 1 790 282 282 ARG N N 117.983 0.1 1 791 283 283 VAL H H 8.464 0.02 1 792 283 283 VAL CA C 66.290 0.1 1 793 283 283 VAL N N 121.610 0.1 1 794 284 284 ALA H H 8.208 0.02 1 795 284 284 ALA CA C 55.480 0.1 1 796 284 284 ALA N N 120.608 0.1 1 797 285 285 ASP H H 7.567 0.02 1 798 285 285 ASP CA C 56.867 0.1 1 799 285 285 ASP N N 113.863 0.1 1 800 286 286 GLY H H 7.523 0.02 1 801 286 286 GLY CA C 45.820 0.1 1 802 286 286 GLY N N 105.349 0.1 1 803 287 287 MET H H 7.730 0.02 1 804 287 287 MET CA C 58.289 0.1 1 805 287 287 MET N N 117.669 0.1 1 806 288 288 VAL H H 7.357 0.02 1 807 288 288 VAL CA C 64.832 0.1 1 808 288 288 VAL N N 115.316 0.1 1 809 289 289 PHE H H 7.835 0.02 1 810 289 289 PHE CA C 57.965 0.1 1 811 289 289 PHE N N 114.309 0.1 1 812 290 290 GLY H H 7.920 0.02 1 813 290 290 GLY CA C 43.852 0.1 1 814 290 290 GLY N N 108.547 0.1 1 815 291 291 ALA H H 8.404 0.02 1 816 291 291 ALA CA C 51.177 0.1 1 817 291 291 ALA N N 124.355 0.1 1 818 292 292 LEU H H 8.416 0.02 1 819 292 292 LEU CA C 56.067 0.1 1 820 292 292 LEU N N 125.324 0.1 1 821 293 293 LEU H H 7.733 0.02 1 822 293 293 LEU CA C 52.810 0.1 1 823 293 293 LEU N N 122.949 0.1 1 824 294 294 PRO CA C 62.364 0.1 1 825 295 295 CYS H H 9.038 0.02 1 826 295 295 CYS CA C 60.020 0.1 1 827 295 295 CYS N N 124.987 0.1 1 828 296 296 GLU H H 8.876 0.02 1 829 296 296 GLU CA C 58.316 0.1 1 830 296 296 GLU N N 129.111 0.1 1 831 297 297 GLU H H 9.556 0.02 1 832 297 297 GLU CA C 57.666 0.1 1 833 297 297 GLU N N 120.824 0.1 1 834 298 298 CYS H H 8.508 0.02 1 835 298 298 CYS CA C 58.532 0.1 1 836 298 298 CYS N N 119.083 0.1 1 837 299 299 SER H H 7.965 0.02 1 838 299 299 SER CA C 61.100 0.1 1 839 299 299 SER N N 117.131 0.1 1 840 300 300 GLY H H 10.006 0.02 1 841 300 300 GLY CA C 43.027 0.1 1 842 300 300 GLY N N 116.717 0.1 1 843 301 301 GLN H H 8.191 0.02 1 844 301 301 GLN CA C 53.354 0.1 1 845 301 301 GLN N N 117.043 0.1 1 846 302 302 LEU H H 10.006 0.02 1 847 302 302 LEU CA C 55.716 0.1 1 848 302 302 LEU N N 133.388 0.1 1 849 303 303 VAL H H 9.242 0.02 1 850 303 303 VAL CA C 60.520 0.1 1 851 303 303 VAL N N 118.121 0.1 1 852 304 304 PHE H H 9.117 0.02 1 853 304 304 PHE CA C 59.036 0.1 1 854 304 304 PHE N N 127.759 0.1 1 855 305 305 LYS H H 8.021 0.02 1 856 305 305 LYS CA C 54.741 0.1 1 857 305 305 LYS N N 129.398 0.1 1 858 306 306 SER H H 6.553 0.02 1 859 306 306 SER CA C 63.471 0.1 1 860 306 306 SER N N 111.453 0.1 1 861 307 307 ASP H H 9.359 0.02 1 862 307 307 ASP CA C 53.108 0.1 1 863 307 307 ASP N N 119.764 0.1 1 864 308 308 ALA H H 7.513 0.02 1 865 308 308 ALA CA C 51.334 0.1 1 866 308 308 ALA N N 117.707 0.1 1 867 309 309 TYR H H 8.466 0.02 1 868 309 309 TYR CA C 58.061 0.1 1 869 309 309 TYR N N 116.209 0.1 1 870 310 310 TYR H H 9.225 0.02 1 871 310 310 TYR CA C 55.998 0.1 1 872 310 310 TYR N N 121.602 0.1 1 873 311 311 CYS H H 8.538 0.02 1 874 311 311 CYS CA C 61.679 0.1 1 875 311 311 CYS N N 124.372 0.1 1 876 312 312 THR H H 7.829 0.02 1 877 312 312 THR CA C 61.582 0.1 1 878 312 312 THR N N 118.121 0.1 1 879 313 313 GLY H H 10.481 0.02 1 880 313 313 GLY CA C 44.880 0.1 1 881 313 313 GLY N N 120.180 0.1 1 882 314 314 ASP H H 8.199 0.02 1 883 314 314 ASP CA C 53.635 0.1 1 884 314 314 ASP N N 119.132 0.1 1 885 315 315 VAL H H 8.332 0.02 1 886 315 315 VAL CA C 64.647 0.1 1 887 315 315 VAL N N 123.141 0.1 1 888 316 316 THR H H 7.982 0.02 1 889 316 316 THR CA C 59.554 0.1 1 890 316 316 THR N N 109.459 0.1 1 891 317 317 ALA H H 8.311 0.02 1 892 317 317 ALA CA C 53.372 0.1 1 893 317 317 ALA N N 120.272 0.1 1 894 318 318 TRP H H 7.761 0.02 1 895 318 318 TRP HE1 H 10.139 0.02 1 896 318 318 TRP CA C 57.123 0.1 1 897 318 318 TRP N N 114.289 0.1 1 898 318 318 TRP NE1 N 128.982 0.1 1 899 319 319 THR H H 7.382 0.02 1 900 319 319 THR CA C 60.914 0.1 1 901 319 319 THR N N 115.984 0.1 1 902 320 320 LYS H H 8.565 0.02 1 903 320 320 LYS CA C 54.680 0.1 1 904 320 320 LYS N N 126.423 0.1 1 905 321 321 CYS H H 8.315 0.02 1 906 321 321 CYS CA C 60.809 0.1 1 907 321 321 CYS N N 124.592 0.1 1 908 322 322 MET H H 8.447 0.02 1 909 322 322 MET CA C 54.083 0.1 1 910 322 322 MET N N 125.138 0.1 1 911 323 323 VAL H H 8.705 0.02 1 912 323 323 VAL CA C 65.807 0.1 1 913 323 323 VAL N N 125.543 0.1 1 914 324 324 LYS H H 7.832 0.02 1 915 324 324 LYS CA C 54.267 0.1 1 916 324 324 LYS N N 127.387 0.1 1 917 325 325 THR H H 9.201 0.02 1 918 325 325 THR CA C 59.290 0.1 1 919 325 325 THR N N 117.433 0.1 1 920 326 326 GLN H H 9.038 0.02 1 921 326 326 GLN CA C 56.340 0.1 1 922 326 326 GLN N N 126.069 0.1 1 923 327 327 THR H H 8.855 0.02 1 924 327 327 THR CA C 57.113 0.1 1 925 327 327 THR N N 111.465 0.1 1 926 328 328 PRO CA C 61.820 0.1 1 927 329 329 ASN H H 8.390 0.02 1 928 329 329 ASN CA C 53.442 0.1 1 929 329 329 ASN N N 118.331 0.1 1 930 330 330 ARG H H 8.615 0.02 1 931 330 330 ARG CA C 54.469 0.1 1 932 330 330 ARG N N 122.182 0.1 1 933 331 331 LYS H H 9.167 0.02 1 934 331 331 LYS CA C 53.733 0.1 1 935 331 331 LYS N N 119.001 0.1 1 936 332 332 GLU H H 8.557 0.02 1 937 332 332 GLU CA C 57.363 0.1 1 938 332 332 GLU N N 119.888 0.1 1 939 333 333 TRP H H 9.114 0.02 1 940 333 333 TRP CA C 57.545 0.1 1 941 333 333 TRP N N 126.069 0.1 1 942 334 334 VAL H H 8.609 0.02 1 943 334 334 VAL CA C 60.230 0.1 1 944 334 334 VAL N N 128.186 0.1 1 945 335 335 THR H H 8.418 0.02 1 946 335 335 THR CA C 58.658 0.1 1 947 335 335 THR N N 119.510 0.1 1 948 336 336 PRO CA C 62.083 0.1 1 949 337 337 LYS H H 8.521 0.02 1 950 337 337 LYS CA C 58.614 0.1 1 951 337 337 LYS N N 122.417 0.1 1 952 338 338 GLU H H 8.871 0.02 1 953 338 338 GLU CA C 57.534 0.1 1 954 338 338 GLU N N 116.623 0.1 1 955 339 339 PHE H H 7.692 0.02 1 956 339 339 PHE CA C 57.561 0.1 1 957 339 339 PHE N N 120.176 0.1 1 958 340 340 ARG H H 7.587 0.02 1 959 340 340 ARG CA C 56.945 0.1 1 960 340 340 ARG N N 122.532 0.1 1 961 341 341 GLU H H 8.085 0.02 1 962 341 341 GLU CA C 57.279 0.1 1 963 341 341 GLU N N 118.361 0.1 1 964 342 342 ILE H H 7.864 0.02 1 965 342 342 ILE CA C 60.467 0.1 1 966 342 342 ILE N N 121.699 0.1 1 967 344 344 TYR H H 8.310 0.02 1 968 344 344 TYR CA C 60.642 0.1 1 969 344 344 TYR N N 120.249 0.1 1 970 345 345 LEU H H 7.279 0.02 1 971 345 345 LEU CA C 56.191 0.1 1 972 345 345 LEU N N 115.513 0.1 1 973 346 346 LYS H H 7.856 0.02 1 974 346 346 LYS CA C 58.148 0.1 1 975 346 346 LYS N N 119.001 0.1 1 976 347 347 LYS H H 7.593 0.02 1 977 347 347 LYS CA C 56.665 0.1 1 978 347 347 LYS N N 116.441 0.1 1 979 348 348 LEU H H 7.362 0.02 1 980 348 348 LEU CA C 55.058 0.1 1 981 348 348 LEU N N 119.823 0.1 1 982 349 349 LYS H H 7.995 0.02 1 983 349 349 LYS CA C 55.945 0.1 1 984 349 349 LYS N N 121.380 0.1 1 985 350 350 VAL H H 7.886 0.02 1 986 350 350 VAL CA C 61.459 0.1 1 987 350 350 VAL N N 119.593 0.1 1 988 351 351 LYS H H 8.236 0.02 1 989 351 351 LYS CA C 55.435 0.1 1 990 351 351 LYS N N 124.522 0.1 1 991 352 352 LYS H H 8.246 0.02 1 992 352 352 LYS CA C 56.349 0.1 1 993 352 352 LYS N N 123.002 0.1 1 994 353 353 GLN H H 8.598 0.02 1 995 353 353 GLN CA C 54.355 0.1 1 996 353 353 GLN N N 122.318 0.1 1 997 354 354 ASP H H 8.267 0.02 1 998 354 354 ASP CA C 53.073 0.1 1 999 354 354 ASP N N 119.023 0.1 1 1000 355 355 ARG H H 8.296 0.02 1 1001 355 355 ARG CA C 56.331 0.1 1 1002 355 355 ARG N N 124.084 0.1 1 1003 356 356 ILE H H 8.832 0.02 1 1004 356 356 ILE CA C 60.221 0.1 1 1005 356 356 ILE N N 127.267 0.1 1 1006 357 357 PHE H H 8.684 0.02 1 1007 357 357 PHE CA C 55.532 0.1 1 1008 357 357 PHE N N 125.060 0.1 1 1009 359 359 PRO CA C 62.575 0.1 1 1010 360 360 GLU H H 8.610 0.02 1 1011 360 360 GLU CA C 56.383 0.1 1 1012 360 360 GLU N N 120.707 0.1 1 1013 361 361 THR H H 8.247 0.02 1 1014 361 361 THR CA C 61.231 0.1 1 1015 361 361 THR N N 114.786 0.1 1 1016 362 362 SER H H 8.008 0.02 1 1017 362 362 SER CA C 59.677 0.1 1 1018 362 362 SER N N 123.352 0.1 1 stop_ save_