data_27160 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N, 13C backbone resonance assignments of the nuclease core residues 2-336 of wild type human flap endonuclease-1 ; _BMRB_accession_number 27160 _BMRB_flat_file_name bmr27160.str _Entry_type original _Submission_date 2017-06-23 _Accession_date 2017-06-23 _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 Bennet Ian A. . 2 Baxter Nicola J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 247 "13C chemical shifts" 797 "15N chemical shifts" 247 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-07-03 update BMRB 'update entry citation' 2018-05-22 original author 'original release' stop_ _Original_release_date 2017-06-23 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Regional conformational flexibility couples substrate specificity and scissile phosphate diester selectivity in human flap endonuclease 1 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29718417 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bennet Ian A. . 2 Finger 'L David' D. . 3 Baxter Nicola J. . 4 Ambrose Benjamin . . 5 Hounslow Andrea M. . 6 Thompson Mark J. . 7 Exell Jack C. . 8 Shahari 'Nur Nazihah' . . 9 Craggs Timothy D. . 10 Waltho Jonathan P. . 11 Grasby Jane A. . stop_ _Journal_abbreviation 'Nucleic Acids Res.' _Journal_name_full 'Nucleic acids research' _Journal_volume 46 _Journal_issue 11 _Journal_ISSN 1362-4962 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 5618 _Page_last 5633 _Year 2018 _Details . loop_ _Keyword Catalysis 'DNA replication / repair' 'Flap endonuclease 1' 'NMR spectroscopy' 'Protein dynamics' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name hFEN1-336 _Enzyme_commission_number 'EC 3.1.-.-' loop_ _Mol_system_component_name _Mol_label hFEN1-336 $hFEN1 stop_ _System_molecular_weight 38457.18 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_hFEN1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common hFEN1 _Molecular_mass 38457.18 _Mol_thiol_state 'all free' loop_ _Biological_function ; Flap endonuclease hydrolyses the phosphodiester of a 5' DNA sequence from a structure called a DNA flap. The DNA flap structure occurs in double-stranded DNA containing a single-stranded break where the 5' portion of the downstream strand is too long and overlaps the 3' end of the upstream strand. Flap endonucleases cleave the downstream strand of the overlap flap structure precisely after the first base-paired nucleotide, creating a ligatable nick. ; stop_ _Details ; The final 6 residues at the C-terminus (LEVLFQ) represent the cleavage recognition site for the human rhinovirus type 14 3C protease ; ############################## # Polymer residue sequence # ############################## _Residue_count 341 _Mol_residue_sequence ; GIQGLAKLIADVAPSAIREN DIKSYFGRKVAIDASMSIYQ FLIAVRQGGDVLQNEEGETT SHLMGMFYRTIRMMENGIKP VYVFDGKPPQLKSGELAKRS ERRAEAEKQLQQAQAAGAEQ EVEKFTKRLVKVTKQHNDEC KHLLSLMGIPYLDAPSEAEA SCAALVKAGKVYAAATEDMD CLTFGSPVLMRHLTASEAKK LPIQEFHLSRILQELGLNQE QFVDLCILLGSDYCESIRGI GPKRAVDLIQKHKSIEEIVR RLDPNKYPVPENWLHKEAHQ LFLEPEVLDPESVELKWSEP NEEELIKFMCGEKQFSEERI RSGVKRLSKSRQGSTLEVLF Q ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 2 GLY 2 3 ILE 3 4 GLN 4 5 GLY 5 6 LEU 6 7 ALA 7 8 LYS 8 9 LEU 9 10 ILE 10 11 ALA 11 12 ASP 12 13 VAL 13 14 ALA 14 15 PRO 15 16 SER 16 17 ALA 17 18 ILE 18 19 ARG 19 20 GLU 20 21 ASN 21 22 ASP 22 23 ILE 23 24 LYS 24 25 SER 25 26 TYR 26 27 PHE 27 28 GLY 28 29 ARG 29 30 LYS 30 31 VAL 31 32 ALA 32 33 ILE 33 34 ASP 34 35 ALA 35 36 SER 36 37 MET 37 38 SER 38 39 ILE 39 40 TYR 40 41 GLN 41 42 PHE 42 43 LEU 43 44 ILE 44 45 ALA 45 46 VAL 46 47 ARG 47 48 GLN 48 49 GLY 49 50 GLY 50 51 ASP 51 52 VAL 52 53 LEU 53 54 GLN 54 55 ASN 55 56 GLU 56 57 GLU 57 58 GLY 58 59 GLU 59 60 THR 60 61 THR 61 62 SER 62 63 HIS 63 64 LEU 64 65 MET 65 66 GLY 66 67 MET 67 68 PHE 68 69 TYR 69 70 ARG 70 71 THR 71 72 ILE 72 73 ARG 73 74 MET 74 75 MET 75 76 GLU 76 77 ASN 77 78 GLY 78 79 ILE 79 80 LYS 80 81 PRO 81 82 VAL 82 83 TYR 83 84 VAL 84 85 PHE 85 86 ASP 86 87 GLY 87 88 LYS 88 89 PRO 89 90 PRO 90 91 GLN 91 92 LEU 92 93 LYS 93 94 SER 94 95 GLY 95 96 GLU 96 97 LEU 97 98 ALA 98 99 LYS 99 100 ARG 100 101 SER 101 102 GLU 102 103 ARG 103 104 ARG 104 105 ALA 105 106 GLU 106 107 ALA 107 108 GLU 108 109 LYS 109 110 GLN 110 111 LEU 111 112 GLN 112 113 GLN 113 114 ALA 114 115 GLN 115 116 ALA 116 117 ALA 117 118 GLY 118 119 ALA 119 120 GLU 120 121 GLN 121 122 GLU 122 123 VAL 123 124 GLU 124 125 LYS 125 126 PHE 126 127 THR 127 128 LYS 128 129 ARG 129 130 LEU 130 131 VAL 131 132 LYS 132 133 VAL 133 134 THR 134 135 LYS 135 136 GLN 136 137 HIS 137 138 ASN 138 139 ASP 139 140 GLU 140 141 CYS 141 142 LYS 142 143 HIS 143 144 LEU 144 145 LEU 145 146 SER 146 147 LEU 147 148 MET 148 149 GLY 149 150 ILE 150 151 PRO 151 152 TYR 152 153 LEU 153 154 ASP 154 155 ALA 155 156 PRO 156 157 SER 157 158 GLU 158 159 ALA 159 160 GLU 160 161 ALA 161 162 SER 162 163 CYS 163 164 ALA 164 165 ALA 165 166 LEU 166 167 VAL 167 168 LYS 168 169 ALA 169 170 GLY 170 171 LYS 171 172 VAL 172 173 TYR 173 174 ALA 174 175 ALA 175 176 ALA 176 177 THR 177 178 GLU 178 179 ASP 179 180 MET 180 181 ASP 181 182 CYS 182 183 LEU 183 184 THR 184 185 PHE 185 186 GLY 186 187 SER 187 188 PRO 188 189 VAL 189 190 LEU 190 191 MET 191 192 ARG 192 193 HIS 193 194 LEU 194 195 THR 195 196 ALA 196 197 SER 197 198 GLU 198 199 ALA 199 200 LYS 200 201 LYS 201 202 LEU 202 203 PRO 203 204 ILE 204 205 GLN 205 206 GLU 206 207 PHE 207 208 HIS 208 209 LEU 209 210 SER 210 211 ARG 211 212 ILE 212 213 LEU 213 214 GLN 214 215 GLU 215 216 LEU 216 217 GLY 217 218 LEU 218 219 ASN 219 220 GLN 220 221 GLU 221 222 GLN 222 223 PHE 223 224 VAL 224 225 ASP 225 226 LEU 226 227 CYS 227 228 ILE 228 229 LEU 229 230 LEU 230 231 GLY 231 232 SER 232 233 ASP 233 234 TYR 234 235 CYS 235 236 GLU 236 237 SER 237 238 ILE 238 239 ARG 239 240 GLY 240 241 ILE 241 242 GLY 242 243 PRO 243 244 LYS 244 245 ARG 245 246 ALA 246 247 VAL 247 248 ASP 248 249 LEU 249 250 ILE 250 251 GLN 251 252 LYS 252 253 HIS 253 254 LYS 254 255 SER 255 256 ILE 256 257 GLU 257 258 GLU 258 259 ILE 259 260 VAL 260 261 ARG 261 262 ARG 262 263 LEU 263 264 ASP 264 265 PRO 265 266 ASN 266 267 LYS 267 268 TYR 268 269 PRO 269 270 VAL 270 271 PRO 271 272 GLU 272 273 ASN 273 274 TRP 274 275 LEU 275 276 HIS 276 277 LYS 277 278 GLU 278 279 ALA 279 280 HIS 280 281 GLN 281 282 LEU 282 283 PHE 283 284 LEU 284 285 GLU 285 286 PRO 286 287 GLU 287 288 VAL 288 289 LEU 289 290 ASP 290 291 PRO 291 292 GLU 292 293 SER 293 294 VAL 294 295 GLU 295 296 LEU 296 297 LYS 297 298 TRP 298 299 SER 299 300 GLU 300 301 PRO 301 302 ASN 302 303 GLU 303 304 GLU 304 305 GLU 305 306 LEU 306 307 ILE 307 308 LYS 308 309 PHE 309 310 MET 310 311 CYS 311 312 GLY 312 313 GLU 313 314 LYS 314 315 GLN 315 316 PHE 316 317 SER 317 318 GLU 318 319 GLU 319 320 ARG 320 321 ILE 321 322 ARG 322 323 SER 323 324 GLY 324 325 VAL 325 326 LYS 326 327 ARG 327 328 LEU 328 329 SER 329 330 LYS 330 331 SER 331 332 ARG 332 333 GLN 333 334 GLY 334 335 SER 335 336 THR 336 337 LEU 337 338 GLU 338 339 VAL 339 340 LEU 340 341 PHE 341 342 GLN 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 $hFEN1 Human 9606 Eukaryota Metazoa Homo sapiens 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 $hFEN1 'recombinant technology' . Escherichia coli BL21(DE3)-RILP pET-29b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $hFEN1 0.5 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' HEPES 10 mM 'natural abundance' 'potassium chloride' 76 mM 'natural abundance' EDTA 0.1 mM 'natural abundance' 'sodium azide' 4 mM 'natural abundance' D2O 10 % '[U-99% 2H]' H2O 90 % 'natural abundance' TSP 0.05 mM '[U-99% 2H]' beta-mercaptoethanol 100 mM '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 stop_ _Details . save_ save_Felix _Saveframe_category software _Name Felix _Version . loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' processing stop_ _Details . save_ save_CCPN_Analysis _Saveframe_category software _Name CCPN_Analysis _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _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_3D_TROSY-HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HN(CO)CA' _Sample_label $sample_1 save_ save_3D_TROSY-HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCACB' _Sample_label $sample_1 save_ save_3D_TROSY-HN(CO)CACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HN(CO)CACB' _Sample_label $sample_1 save_ save_3D_TROSY-HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HN(CA)CO' _Sample_label $sample_1 save_ save_3D_TROSY-HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCO' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 90 . mM pH 7.5 . pH pressure 1 . atm temperature 298 . 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 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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 'TROSY offset: amide protons; amide nitrogens.' loop_ _Software_label $TOPSPIN $Felix $CCPN_Analysis stop_ loop_ _Experiment_label '2D 1H-15N TROSY' '3D TROSY-HNCA' '3D TROSY-HN(CO)CA' '3D TROSY-HNCACB' '3D TROSY-HN(CO)CACB' '3D TROSY-HN(CA)CO' '3D TROSY-HNCO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name hFEN1-336 _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 2 1 GLY C C 170.407 0.050 1 2 2 1 GLY CA C 43.624 0.050 1 3 3 2 ILE H H 7.963 0.005 1 4 3 2 ILE C C 176.802 0.050 1 5 3 2 ILE CA C 57.054 0.050 1 6 3 2 ILE CB C 35.525 0.050 1 7 3 2 ILE N N 122.373 0.050 1 8 4 3 GLN H H 8.786 0.005 1 9 4 3 GLN C C 176.650 0.050 1 10 4 3 GLN CA C 57.041 0.050 1 11 4 3 GLN CB C 27.360 0.050 1 12 4 3 GLN N N 129.057 0.050 1 13 5 4 GLY H H 8.742 0.005 1 14 5 4 GLY C C 176.147 0.050 1 15 5 4 GLY CA C 45.615 0.050 1 16 5 4 GLY N N 110.373 0.050 1 17 6 5 LEU H H 7.169 0.005 1 18 6 5 LEU C C 176.829 0.050 1 19 6 5 LEU CA C 57.541 0.050 1 20 6 5 LEU CB C 39.790 0.050 1 21 6 5 LEU N N 122.132 0.050 1 22 7 6 ALA H H 8.528 0.005 1 23 7 6 ALA C C 180.322 0.050 1 24 7 6 ALA CA C 56.339 0.050 1 25 7 6 ALA CB C 16.549 0.050 1 26 7 6 ALA N N 121.708 0.050 1 27 8 7 LYS H H 7.978 0.005 1 28 8 7 LYS C C 177.711 0.050 1 29 8 7 LYS CA C 58.148 0.050 1 30 8 7 LYS CB C 31.410 0.050 1 31 8 7 LYS N N 119.491 0.050 1 32 9 8 LEU H H 7.774 0.005 1 33 9 8 LEU C C 179.228 0.050 1 34 9 8 LEU CA C 57.535 0.050 1 35 9 8 LEU CB C 41.354 0.050 1 36 9 8 LEU N N 120.091 0.050 1 37 10 9 ILE H H 8.384 0.005 1 38 10 9 ILE C C 177.136 0.050 1 39 10 9 ILE CA C 64.073 0.050 1 40 10 9 ILE CB C 36.164 0.050 1 41 10 9 ILE N N 117.700 0.050 1 42 11 10 ALA H H 7.397 0.005 1 43 11 10 ALA C C 178.289 0.050 1 44 11 10 ALA CA C 54.733 0.050 1 45 11 10 ALA CB C 17.069 0.050 1 46 11 10 ALA N N 120.013 0.050 1 47 12 11 ASP H H 7.736 0.005 1 48 12 11 ASP C C 178.464 0.050 1 49 12 11 ASP CA C 56.213 0.050 1 50 12 11 ASP CB C 41.350 0.050 1 51 12 11 ASP N N 115.845 0.050 1 52 13 12 VAL H H 8.394 0.005 1 53 13 12 VAL C C 175.355 0.050 1 54 13 12 VAL CA C 61.336 0.050 1 55 13 12 VAL CB C 32.242 0.050 1 56 13 12 VAL N N 111.550 0.050 1 57 14 13 ALA H H 8.800 0.005 1 58 14 13 ALA C C 173.245 0.050 1 59 14 13 ALA CA C 49.822 0.050 1 60 14 13 ALA CB C 18.269 0.050 1 61 14 13 ALA N N 125.569 0.050 1 62 15 14 PRO C C 179.367 0.050 1 63 15 14 PRO CA C 64.851 0.050 1 64 15 14 PRO CB C 30.040 0.050 1 65 16 15 SER H H 8.140 0.005 1 66 16 15 SER C C 175.303 0.050 1 67 16 15 SER CA C 59.736 0.050 1 68 16 15 SER CB C 61.799 0.050 1 69 16 15 SER N N 113.374 0.050 1 70 17 16 ALA H H 8.192 0.005 1 71 17 16 ALA C C 174.649 0.050 1 72 17 16 ALA CA C 52.223 0.050 1 73 17 16 ALA CB C 20.174 0.050 1 74 17 16 ALA N N 123.800 0.050 1 75 18 17 ILE H H 7.220 0.005 1 76 18 17 ILE C C 175.824 0.050 1 77 18 17 ILE CA C 59.302 0.050 1 78 18 17 ILE CB C 38.628 0.050 1 79 18 17 ILE N N 117.525 0.050 1 80 19 18 ARG H H 8.678 0.005 1 81 19 18 ARG C C 174.684 0.050 1 82 19 18 ARG CA C 53.529 0.050 1 83 19 18 ARG CB C 32.212 0.050 1 84 19 18 ARG N N 125.926 0.050 1 85 20 19 GLU H H 8.426 0.005 1 86 20 19 GLU C C 175.823 0.050 1 87 20 19 GLU CA C 54.391 0.050 1 88 20 19 GLU CB C 30.894 0.050 1 89 20 19 GLU N N 123.042 0.050 1 90 21 20 ASN H H 8.830 0.005 1 91 21 20 ASN C C 173.768 0.050 1 92 21 20 ASN CA C 51.471 0.050 1 93 21 20 ASN CB C 43.188 0.050 1 94 21 20 ASN N N 121.717 0.050 1 95 22 21 ASP H H 8.597 0.005 1 96 22 21 ASP C C 177.930 0.050 1 97 22 21 ASP CA C 53.599 0.050 1 98 22 21 ASP CB C 42.608 0.050 1 99 22 21 ASP N N 120.431 0.050 1 100 23 22 ILE H H 8.732 0.005 1 101 23 22 ILE C C 175.245 0.050 1 102 23 22 ILE CA C 64.731 0.050 1 103 23 22 ILE CB C 37.484 0.050 1 104 23 22 ILE N N 127.110 0.050 1 105 24 23 LYS H H 8.248 0.005 1 106 24 23 LYS C C 179.018 0.050 1 107 24 23 LYS CA C 57.854 0.050 1 108 24 23 LYS CB C 31.123 0.050 1 109 24 23 LYS N N 120.444 0.050 1 110 25 24 SER H H 7.904 0.005 1 111 25 24 SER C C 174.512 0.050 1 112 25 24 SER CA C 59.838 0.050 1 113 25 24 SER CB C 62.444 0.050 1 114 25 24 SER N N 115.043 0.050 1 115 26 25 TYR H H 7.483 0.005 1 116 26 25 TYR C C 172.867 0.050 1 117 26 25 TYR CA C 58.363 0.050 1 118 26 25 TYR CB C 37.059 0.050 1 119 26 25 TYR N N 119.264 0.050 1 120 27 26 PHE H H 6.963 0.005 1 121 27 26 PHE C C 177.193 0.050 1 122 27 26 PHE CA C 60.222 0.050 1 123 27 26 PHE CB C 38.425 0.050 1 124 27 26 PHE N N 120.353 0.050 1 125 28 27 GLY H H 8.226 0.005 1 126 28 27 GLY C C 174.292 0.050 1 127 28 27 GLY CA C 44.476 0.050 1 128 28 27 GLY N N 117.384 0.050 1 129 29 28 ARG H H 7.910 0.005 1 130 29 28 ARG C C 174.921 0.050 1 131 29 28 ARG CA C 53.989 0.050 1 132 29 28 ARG CB C 29.806 0.050 1 133 29 28 ARG N N 119.282 0.050 1 134 30 29 LYS H H 8.351 0.005 1 135 30 29 LYS C C 177.460 0.050 1 136 30 29 LYS CA C 54.093 0.050 1 137 30 29 LYS CB C 34.346 0.050 1 138 30 29 LYS N N 121.435 0.050 1 139 31 30 VAL H H 8.089 0.005 1 140 31 30 VAL C C 173.266 0.050 1 141 31 30 VAL CA C 58.990 0.050 1 142 31 30 VAL CB C 35.346 0.050 1 143 31 30 VAL N N 116.240 0.050 1 144 32 31 ALA H H 8.114 0.005 1 145 32 31 ALA C C 174.849 0.050 1 146 32 31 ALA CA C 49.459 0.050 1 147 32 31 ALA CB C 19.998 0.050 1 148 32 31 ALA N N 124.750 0.050 1 149 33 32 ILE H H 8.761 0.005 1 150 33 32 ILE C C 175.129 0.050 1 151 33 32 ILE CA C 59.092 0.050 1 152 33 32 ILE CB C 39.886 0.050 1 153 33 32 ILE N N 124.017 0.050 1 154 42 41 PHE C C 178.623 0.050 1 155 42 41 PHE CA C 56.043 0.050 1 156 42 41 PHE CB C 37.012 0.050 1 157 43 42 LEU H H 8.079 0.005 1 158 43 42 LEU C C 179.909 0.050 1 159 43 42 LEU CA C 56.764 0.050 1 160 43 42 LEU CB C 41.587 0.050 1 161 43 42 LEU N N 119.148 0.050 1 162 44 43 ILE H H 7.682 0.005 1 163 44 43 ILE C C 177.054 0.050 1 164 44 43 ILE CA C 61.724 0.050 1 165 44 43 ILE CB C 37.047 0.050 1 166 44 43 ILE N N 114.701 0.050 1 167 45 44 ALA H H 7.288 0.005 1 168 45 44 ALA C C 178.423 0.050 1 169 45 44 ALA CA C 52.986 0.050 1 170 45 44 ALA CB C 18.240 0.050 1 171 45 44 ALA N N 124.568 0.050 1 172 46 45 VAL H H 7.554 0.005 1 173 46 45 VAL C C 176.606 0.050 1 174 46 45 VAL CA C 62.339 0.050 1 175 46 45 VAL CB C 31.512 0.050 1 176 46 45 VAL N N 117.408 0.050 1 177 47 46 ARG H H 8.111 0.005 1 178 47 46 ARG C C 176.485 0.050 1 179 47 46 ARG CA C 55.824 0.050 1 180 47 46 ARG CB C 29.686 0.050 1 181 47 46 ARG N N 123.951 0.050 1 182 50 49 GLY C C 173.975 0.050 1 183 50 49 GLY CA C 44.914 0.050 1 184 51 50 ASP H H 8.205 0.005 1 185 51 50 ASP C C 176.315 0.050 1 186 51 50 ASP CA C 53.972 0.050 1 187 51 50 ASP CB C 40.704 0.050 1 188 51 50 ASP N N 120.847 0.050 1 189 52 51 VAL H H 7.898 0.005 1 190 52 51 VAL C C 176.296 0.050 1 191 52 51 VAL CA C 62.099 0.050 1 192 52 51 VAL CB C 31.715 0.050 1 193 52 51 VAL N N 119.871 0.050 1 194 53 52 LEU H H 8.213 0.005 1 195 53 52 LEU C C 177.452 0.050 1 196 53 52 LEU CA C 54.791 0.050 1 197 53 52 LEU CB C 40.943 0.050 1 198 53 52 LEU N N 124.907 0.050 1 199 54 53 GLN H H 8.188 0.005 1 200 54 53 GLN C C 175.768 0.050 1 201 54 53 GLN CA C 55.579 0.050 1 202 54 53 GLN CB C 28.646 0.050 1 203 54 53 GLN N N 120.553 0.050 1 204 65 64 MET C C 178.071 0.050 1 205 65 64 MET CA C 57.839 0.050 1 206 65 64 MET CB C 31.265 0.050 1 207 66 65 GLY H H 7.833 0.005 1 208 66 65 GLY C C 175.051 0.050 1 209 66 65 GLY CA C 46.058 0.050 1 210 66 65 GLY N N 104.660 0.050 1 211 67 66 MET H H 7.150 0.005 1 212 67 66 MET C C 178.803 0.050 1 213 67 66 MET CA C 57.957 0.050 1 214 67 66 MET CB C 31.687 0.050 1 215 67 66 MET N N 120.427 0.050 1 216 68 67 PHE H H 8.252 0.005 1 217 68 67 PHE C C 175.882 0.050 1 218 68 67 PHE CA C 60.819 0.050 1 219 68 67 PHE CB C 39.072 0.050 1 220 68 67 PHE N N 121.483 0.050 1 221 69 68 TYR H H 8.136 0.005 1 222 69 68 TYR C C 180.036 0.050 1 223 69 68 TYR CA C 62.742 0.050 1 224 69 68 TYR CB C 36.739 0.050 1 225 69 68 TYR N N 115.548 0.050 1 226 70 69 ARG H H 8.852 0.005 1 227 70 69 ARG C C 179.423 0.050 1 228 70 69 ARG CA C 58.163 0.050 1 229 70 69 ARG CB C 28.058 0.050 1 230 70 69 ARG N N 118.891 0.050 1 231 71 70 THR C C 176.262 0.050 1 232 71 70 THR CA C 66.877 0.050 1 233 72 71 ILE H H 7.881 0.005 1 234 72 71 ILE C C 176.520 0.050 1 235 72 71 ILE CA C 65.662 0.050 1 236 72 71 ILE CB C 36.844 0.050 1 237 72 71 ILE N N 122.967 0.050 1 238 73 72 ARG H H 7.553 0.005 1 239 73 72 ARG C C 179.017 0.050 1 240 73 72 ARG CA C 58.672 0.050 1 241 73 72 ARG CB C 28.451 0.050 1 242 73 72 ARG N N 118.813 0.050 1 243 74 73 MET H H 7.351 0.005 1 244 74 73 MET C C 178.059 0.050 1 245 74 73 MET CA C 60.232 0.050 1 246 74 73 MET CB C 32.321 0.050 1 247 74 73 MET N N 116.570 0.050 1 248 75 74 MET C C 181.295 0.050 1 249 76 75 GLU H H 9.212 0.005 1 250 76 75 GLU C C 177.030 0.050 1 251 76 75 GLU CA C 58.085 0.050 1 252 76 75 GLU CB C 28.381 0.050 1 253 76 75 GLU N N 121.725 0.050 1 254 77 76 ASN H H 7.198 0.005 1 255 77 76 ASN C C 173.421 0.050 1 256 77 76 ASN CA C 53.842 0.050 1 257 77 76 ASN CB C 40.421 0.050 1 258 77 76 ASN N N 117.250 0.050 1 259 78 77 GLY H H 7.799 0.005 1 260 78 77 GLY C C 174.276 0.050 1 261 78 77 GLY CA C 45.843 0.050 1 262 78 77 GLY N N 105.989 0.050 1 263 79 78 ILE H H 7.787 0.005 1 264 79 78 ILE C C 174.237 0.050 1 265 79 78 ILE CA C 60.316 0.050 1 266 79 78 ILE CB C 37.838 0.050 1 267 79 78 ILE N N 125.000 0.050 1 268 80 79 LYS H H 7.941 0.005 1 269 80 79 LYS C C 174.276 0.050 1 270 80 79 LYS CA C 51.988 0.050 1 271 80 79 LYS CB C 31.564 0.050 1 272 80 79 LYS N N 127.044 0.050 1 273 81 80 PRO C C 176.802 0.050 1 274 81 80 PRO CA C 61.239 0.050 1 275 81 80 PRO CB C 32.332 0.050 1 276 82 81 VAL H H 8.628 0.005 1 277 82 81 VAL C C 174.026 0.050 1 278 82 81 VAL CA C 58.694 0.050 1 279 82 81 VAL CB C 33.608 0.050 1 280 82 81 VAL N N 118.349 0.050 1 281 83 82 TYR H H 7.919 0.005 1 282 83 82 TYR C C 174.675 0.050 1 283 83 82 TYR CA C 58.111 0.050 1 284 83 82 TYR CB C 40.180 0.050 1 285 83 82 TYR N N 127.306 0.050 1 286 84 83 VAL H H 9.147 0.005 1 287 84 83 VAL C C 174.894 0.050 1 288 84 83 VAL CA C 60.609 0.050 1 289 84 83 VAL CB C 32.562 0.050 1 290 84 83 VAL N N 123.078 0.050 1 291 85 84 PHE H H 9.319 0.005 1 292 85 84 PHE C C 175.748 0.050 1 293 85 84 PHE CA C 57.218 0.050 1 294 85 84 PHE CB C 40.319 0.050 1 295 85 84 PHE N N 128.205 0.050 1 296 86 85 ASP H H 8.933 0.005 1 297 86 85 ASP C C 177.522 0.050 1 298 86 85 ASP CA C 55.593 0.050 1 299 86 85 ASP CB C 42.022 0.050 1 300 86 85 ASP N N 121.130 0.050 1 301 87 86 GLY H H 8.740 0.005 1 302 87 86 GLY C C 173.805 0.050 1 303 87 86 GLY CA C 44.237 0.050 1 304 87 86 GLY N N 113.268 0.050 1 305 88 87 LYS H H 7.641 0.005 1 306 88 87 LYS C C 173.904 0.050 1 307 88 87 LYS CA C 53.615 0.050 1 308 88 87 LYS CB C 31.629 0.050 1 309 88 87 LYS N N 127.813 0.050 1 310 106 105 GLU C C 178.067 0.050 1 311 106 105 GLU CA C 57.732 0.050 1 312 106 105 GLU CB C 29.065 0.050 1 313 107 106 ALA H H 7.948 0.005 1 314 107 106 ALA C C 179.756 0.050 1 315 107 106 ALA CA C 53.711 0.050 1 316 107 106 ALA CB C 17.732 0.050 1 317 107 106 ALA N N 123.213 0.050 1 318 108 107 GLU H H 8.116 0.005 1 319 108 107 GLU C C 178.126 0.050 1 320 108 107 GLU CA C 57.722 0.050 1 321 108 107 GLU CB C 28.881 0.050 1 322 108 107 GLU N N 118.928 0.050 1 323 109 108 LYS H H 7.823 0.005 1 324 109 108 LYS C C 178.046 0.050 1 325 109 108 LYS CA C 57.635 0.050 1 326 109 108 LYS CB C 31.534 0.050 1 327 109 108 LYS N N 120.847 0.050 1 328 110 109 GLN H H 7.958 0.005 1 329 110 109 GLN C C 177.440 0.050 1 330 110 109 GLN CA C 56.619 0.050 1 331 110 109 GLN CB C 27.908 0.050 1 332 110 109 GLN N N 119.233 0.050 1 333 111 110 LEU H H 7.903 0.005 1 334 111 110 LEU C C 178.208 0.050 1 335 111 110 LEU CA C 55.976 0.050 1 336 111 110 LEU CB C 41.092 0.050 1 337 111 110 LEU N N 121.974 0.050 1 338 112 111 GLN H H 8.055 0.005 1 339 112 111 GLN C C 177.192 0.050 1 340 112 111 GLN CA C 56.493 0.050 1 341 112 111 GLN CB C 27.998 0.050 1 342 112 111 GLN N N 119.845 0.050 1 343 113 112 GLN H H 8.109 0.005 1 344 113 112 GLN C C 176.529 0.050 1 345 113 112 GLN CA C 56.321 0.050 1 346 113 112 GLN CB C 28.441 0.050 1 347 113 112 GLN N N 120.251 0.050 1 348 114 113 ALA H H 8.065 0.005 1 349 114 113 ALA C C 178.283 0.050 1 350 114 113 ALA CA C 52.722 0.050 1 351 114 113 ALA CB C 18.087 0.050 1 352 114 113 ALA N N 124.091 0.050 1 353 115 114 GLN H H 8.124 0.005 1 354 115 114 GLN C C 176.322 0.050 1 355 115 114 GLN CA C 55.724 0.050 1 356 115 114 GLN CB C 28.456 0.050 1 357 115 114 GLN N N 119.013 0.050 1 358 116 115 ALA H H 8.096 0.005 1 359 116 115 ALA C C 177.683 0.050 1 360 116 115 ALA CA C 52.246 0.050 1 361 116 115 ALA CB C 18.219 0.050 1 362 116 115 ALA N N 124.911 0.050 1 363 117 116 ALA H H 8.109 0.005 1 364 117 116 ALA C C 178.418 0.050 1 365 117 116 ALA CA C 52.245 0.050 1 366 117 116 ALA CB C 18.299 0.050 1 367 117 116 ALA N N 123.046 0.050 1 368 118 117 GLY H H 8.235 0.005 1 369 118 117 GLY C C 174.187 0.050 1 370 118 117 GLY CA C 44.958 0.050 1 371 118 117 GLY N N 108.907 0.050 1 372 119 118 ALA H H 8.012 0.005 1 373 119 118 ALA C C 178.007 0.050 1 374 119 118 ALA CA C 52.103 0.050 1 375 119 118 ALA CB C 18.472 0.050 1 376 119 118 ALA N N 124.023 0.050 1 377 120 119 GLU H H 8.434 0.005 1 378 120 119 GLU C C 176.856 0.050 1 379 120 119 GLU CA C 56.724 0.050 1 380 120 119 GLU CB C 29.103 0.050 1 381 120 119 GLU N N 120.316 0.050 1 382 121 120 GLN H H 8.249 0.005 1 383 121 120 GLN C C 176.252 0.050 1 384 121 120 GLN CA C 55.617 0.050 1 385 121 120 GLN CB C 28.735 0.050 1 386 121 120 GLN N N 120.698 0.050 1 387 122 121 GLU H H 8.284 0.005 1 388 122 121 GLU C C 176.800 0.050 1 389 122 121 GLU CA C 56.353 0.050 1 390 122 121 GLU CB C 29.282 0.050 1 391 122 121 GLU N N 122.507 0.050 1 392 123 122 VAL H H 8.030 0.005 1 393 123 122 VAL C C 176.740 0.050 1 394 123 122 VAL CA C 62.481 0.050 1 395 123 122 VAL CB C 31.773 0.050 1 396 123 122 VAL N N 121.079 0.050 1 397 124 123 GLU H H 8.330 0.005 1 398 124 123 GLU C C 176.687 0.050 1 399 124 123 GLU CA C 56.725 0.050 1 400 124 123 GLU CB C 29.095 0.050 1 401 124 123 GLU N N 124.084 0.050 1 402 135 134 LYS C C 177.629 0.050 1 403 135 134 LYS CA C 59.229 0.050 1 404 135 134 LYS CB C 31.680 0.050 1 405 136 135 GLN H H 7.809 0.005 1 406 136 135 GLN C C 178.368 0.050 1 407 136 135 GLN CA C 58.952 0.050 1 408 136 135 GLN CB C 26.913 0.050 1 409 136 135 GLN N N 117.821 0.050 1 410 137 136 HIS H H 7.410 0.005 1 411 137 136 HIS C C 179.064 0.050 1 412 137 136 HIS CA C 60.212 0.050 1 413 137 136 HIS CB C 31.224 0.050 1 414 137 136 HIS N N 118.191 0.050 1 415 138 137 ASN H H 7.729 0.005 1 416 138 137 ASN C C 177.138 0.050 1 417 138 137 ASN CA C 56.453 0.050 1 418 138 137 ASN CB C 38.336 0.050 1 419 138 137 ASN N N 117.455 0.050 1 420 139 138 ASP H H 9.066 0.005 1 421 139 138 ASP C C 180.353 0.050 1 422 139 138 ASP CA C 57.216 0.050 1 423 139 138 ASP CB C 39.144 0.050 1 424 139 138 ASP N N 121.007 0.050 1 425 140 139 GLU H H 8.658 0.005 1 426 140 139 GLU C C 178.851 0.050 1 427 140 139 GLU CA C 59.239 0.050 1 428 140 139 GLU CB C 29.337 0.050 1 429 140 139 GLU N N 120.848 0.050 1 430 141 140 CYS H H 8.123 0.005 1 431 141 140 CYS C C 176.373 0.050 1 432 141 140 CYS CA C 64.954 0.050 1 433 141 140 CYS CB C 27.053 0.050 1 434 141 140 CYS N N 117.335 0.050 1 435 142 141 LYS H H 8.362 0.005 1 436 142 141 LYS C C 177.692 0.050 1 437 142 141 LYS CA C 60.212 0.050 1 438 142 141 LYS CB C 31.745 0.050 1 439 142 141 LYS N N 120.683 0.050 1 440 143 142 HIS H H 7.672 0.005 1 441 143 142 HIS C C 177.536 0.050 1 442 143 142 HIS CA C 58.468 0.050 1 443 143 142 HIS CB C 29.458 0.050 1 444 143 142 HIS N N 119.586 0.050 1 445 144 143 LEU H H 7.963 0.005 1 446 144 143 LEU C C 178.242 0.050 1 447 144 143 LEU CA C 58.066 0.050 1 448 144 143 LEU CB C 40.797 0.050 1 449 144 143 LEU N N 118.673 0.050 1 450 145 144 LEU H H 8.487 0.005 1 451 145 144 LEU C C 179.625 0.050 1 452 145 144 LEU CA C 57.990 0.050 1 453 145 144 LEU CB C 39.574 0.050 1 454 145 144 LEU N N 118.509 0.050 1 455 146 145 SER H H 8.367 0.005 1 456 146 145 SER C C 178.556 0.050 1 457 146 145 SER CA C 61.347 0.050 1 458 146 145 SER CB C 62.297 0.050 1 459 146 145 SER N N 115.284 0.050 1 460 147 146 LEU H H 7.844 0.005 1 461 147 146 LEU C C 178.077 0.050 1 462 147 146 LEU CA C 56.955 0.050 1 463 147 146 LEU CB C 41.321 0.050 1 464 147 146 LEU N N 122.909 0.050 1 465 148 147 MET H H 8.149 0.005 1 466 148 147 MET C C 173.979 0.050 1 467 148 147 MET CA C 57.328 0.050 1 468 148 147 MET CB C 35.157 0.050 1 469 148 147 MET N N 116.377 0.050 1 470 149 148 GLY H H 7.569 0.005 1 471 149 148 GLY C C 173.988 0.050 1 472 149 148 GLY CA C 45.212 0.050 1 473 149 148 GLY N N 106.376 0.050 1 474 150 149 ILE H H 8.041 0.005 1 475 150 149 ILE C C 175.619 0.050 1 476 150 149 ILE CA C 54.128 0.050 1 477 150 149 ILE CB C 37.441 0.050 1 478 150 149 ILE N N 122.296 0.050 1 479 151 150 PRO C C 175.333 0.050 1 480 151 150 PRO CA C 62.003 0.050 1 481 151 150 PRO CB C 31.566 0.050 1 482 152 151 TYR H H 7.350 0.005 1 483 152 151 TYR C C 173.967 0.050 1 484 152 151 TYR CA C 54.475 0.050 1 485 152 151 TYR CB C 41.792 0.050 1 486 152 151 TYR N N 112.707 0.050 1 487 153 152 LEU H H 9.110 0.005 1 488 153 152 LEU C C 175.192 0.050 1 489 153 152 LEU CA C 52.453 0.050 1 490 153 152 LEU CB C 46.124 0.050 1 491 153 152 LEU N N 119.441 0.050 1 492 154 153 ASP H H 8.747 0.005 1 493 154 153 ASP C C 174.987 0.050 1 494 154 153 ASP CA C 53.608 0.050 1 495 154 153 ASP CB C 41.234 0.050 1 496 154 153 ASP N N 122.966 0.050 1 497 155 154 ALA H H 8.935 0.005 1 498 155 154 ALA C C 175.661 0.050 1 499 155 154 ALA CA C 49.575 0.050 1 500 155 154 ALA CB C 17.045 0.050 1 501 155 154 ALA N N 127.214 0.050 1 502 156 155 PRO C C 178.277 0.050 1 503 156 155 PRO CA C 63.219 0.050 1 504 156 155 PRO CB C 30.040 0.050 1 505 157 156 SER H H 6.432 0.005 1 506 157 156 SER C C 173.730 0.050 1 507 157 156 SER CA C 55.871 0.050 1 508 157 156 SER CB C 61.646 0.050 1 509 157 156 SER N N 113.797 0.050 1 510 158 157 GLU H H 8.741 0.005 1 511 158 157 GLU C C 179.943 0.050 1 512 158 157 GLU CA C 56.697 0.050 1 513 158 157 GLU CB C 28.259 0.050 1 514 158 157 GLU N N 124.182 0.050 1 515 159 158 ALA H H 10.499 0.005 1 516 159 158 ALA C C 181.397 0.050 1 517 159 158 ALA CA C 55.847 0.050 1 518 159 158 ALA CB C 17.679 0.050 1 519 159 158 ALA N N 133.975 0.050 1 520 161 160 ALA C C 180.290 0.050 1 521 161 160 ALA CA C 54.584 0.050 1 522 161 160 ALA CB C 17.153 0.050 1 523 162 161 SER H H 7.035 0.005 1 524 162 161 SER C C 175.921 0.050 1 525 162 161 SER CA C 64.379 0.050 1 526 162 161 SER CB C 63.266 0.050 1 527 162 161 SER N N 115.751 0.050 1 528 163 162 CYS H H 8.748 0.005 1 529 163 162 CYS C C 175.870 0.050 1 530 163 162 CYS CA C 64.576 0.050 1 531 163 162 CYS CB C 25.883 0.050 1 532 163 162 CYS N N 120.864 0.050 1 533 164 163 ALA H H 7.534 0.005 1 534 164 163 ALA C C 178.863 0.050 1 535 164 163 ALA CA C 54.859 0.050 1 536 164 163 ALA CB C 18.024 0.050 1 537 164 163 ALA N N 119.315 0.050 1 538 165 164 ALA H H 7.689 0.005 1 539 165 164 ALA C C 180.310 0.050 1 540 165 164 ALA CA C 54.853 0.050 1 541 165 164 ALA CB C 16.866 0.050 1 542 165 164 ALA N N 120.008 0.050 1 543 166 165 LEU H H 7.589 0.005 1 544 166 165 LEU C C 178.149 0.050 1 545 166 165 LEU CA C 57.859 0.050 1 546 166 165 LEU CB C 41.736 0.050 1 547 166 165 LEU N N 117.553 0.050 1 548 167 166 VAL H H 7.415 0.005 1 549 167 166 VAL C C 181.339 0.050 1 550 167 166 VAL CA C 64.162 0.050 1 551 167 166 VAL CB C 30.980 0.050 1 552 167 166 VAL N N 120.114 0.050 1 553 168 167 LYS H H 8.671 0.005 1 554 168 167 LYS C C 178.069 0.050 1 555 168 167 LYS CA C 59.858 0.050 1 556 168 167 LYS CB C 32.153 0.050 1 557 168 167 LYS N N 122.294 0.050 1 558 169 168 ALA H H 7.371 0.005 1 559 169 168 ALA C C 177.578 0.050 1 560 169 168 ALA CA C 51.545 0.050 1 561 169 168 ALA CB C 19.439 0.050 1 562 169 168 ALA N N 115.945 0.050 1 563 170 169 GLY H H 7.963 0.005 1 564 170 169 GLY C C 175.103 0.050 1 565 170 169 GLY CA C 45.240 0.050 1 566 170 169 GLY N N 107.148 0.050 1 567 171 170 LYS H H 7.999 0.005 1 568 171 170 LYS C C 176.582 0.050 1 569 171 170 LYS CA C 55.346 0.050 1 570 171 170 LYS CB C 31.563 0.050 1 571 171 170 LYS N N 116.362 0.050 1 572 172 171 VAL H H 6.968 0.005 1 573 172 171 VAL C C 173.796 0.050 1 574 172 171 VAL CA C 57.715 0.050 1 575 172 171 VAL CB C 33.343 0.050 1 576 172 171 VAL N N 104.551 0.050 1 577 173 172 TYR H H 8.654 0.005 1 578 173 172 TYR C C 173.758 0.050 1 579 173 172 TYR CA C 59.325 0.050 1 580 173 172 TYR CB C 39.407 0.050 1 581 173 172 TYR N N 120.835 0.050 1 582 174 173 ALA H H 6.836 0.005 1 583 174 173 ALA C C 174.535 0.050 1 584 174 173 ALA CA C 50.623 0.050 1 585 174 173 ALA CB C 23.778 0.050 1 586 174 173 ALA N N 109.766 0.050 1 587 175 174 ALA H H 6.777 0.005 1 588 175 174 ALA C C 175.107 0.050 1 589 175 174 ALA CA C 49.246 0.050 1 590 175 174 ALA CB C 20.599 0.050 1 591 175 174 ALA N N 122.569 0.050 1 592 176 175 ALA H H 9.016 0.005 1 593 176 175 ALA C C 174.893 0.050 1 594 176 175 ALA CA C 50.252 0.050 1 595 176 175 ALA CB C 19.910 0.050 1 596 176 175 ALA N N 127.738 0.050 1 597 177 176 THR H H 7.588 0.005 1 598 177 176 THR C C 172.011 0.050 1 599 177 176 THR CA C 58.704 0.050 1 600 177 176 THR CB C 68.256 0.050 1 601 177 176 THR N N 116.544 0.050 1 602 184 183 THR C C 176.047 0.050 1 603 185 184 PHE H H 7.753 0.005 1 604 185 184 PHE C C 175.048 0.050 1 605 185 184 PHE CA C 59.423 0.050 1 606 185 184 PHE CB C 39.398 0.050 1 607 185 184 PHE N N 115.000 0.050 1 608 186 185 GLY H H 7.780 0.005 1 609 186 185 GLY C C 174.625 0.050 1 610 186 185 GLY CA C 44.529 0.050 1 611 186 185 GLY N N 107.364 0.050 1 612 187 186 SER H H 8.392 0.005 1 613 187 186 SER CA C 56.187 0.050 1 614 187 186 SER CB C 64.785 0.050 1 615 187 186 SER N N 116.431 0.050 1 616 188 187 PRO C C 177.523 0.050 1 617 188 187 PRO CA C 64.375 0.050 1 618 188 187 PRO CB C 32.387 0.050 1 619 189 188 VAL H H 6.517 0.005 1 620 189 188 VAL C C 175.441 0.050 1 621 189 188 VAL CA C 60.397 0.050 1 622 189 188 VAL CB C 34.938 0.050 1 623 189 188 VAL N N 111.299 0.050 1 624 190 189 LEU H H 8.475 0.005 1 625 190 189 LEU C C 174.799 0.050 1 626 190 189 LEU CA C 52.962 0.050 1 627 190 189 LEU CB C 46.156 0.050 1 628 190 189 LEU N N 132.012 0.050 1 629 191 190 MET H H 9.430 0.005 1 630 191 190 MET C C 174.123 0.050 1 631 191 190 MET CA C 53.981 0.050 1 632 191 190 MET CB C 36.603 0.050 1 633 191 190 MET N N 125.170 0.050 1 634 192 191 ARG H H 9.418 0.005 1 635 192 191 ARG C C 175.440 0.050 1 636 192 191 ARG CA C 54.990 0.050 1 637 192 191 ARG CB C 32.126 0.050 1 638 192 191 ARG N N 124.522 0.050 1 639 193 192 HIS H H 9.189 0.005 1 640 193 192 HIS C C 177.449 0.050 1 641 193 192 HIS CA C 56.062 0.050 1 642 193 192 HIS CB C 26.677 0.050 1 643 193 192 HIS N N 113.111 0.050 1 644 194 193 LEU H H 9.135 0.005 1 645 194 193 LEU C C 176.964 0.050 1 646 194 193 LEU CA C 56.998 0.050 1 647 194 193 LEU CB C 41.500 0.050 1 648 194 193 LEU N N 124.770 0.050 1 649 195 194 THR H H 7.394 0.005 1 650 195 194 THR C C 173.964 0.050 1 651 195 194 THR CA C 59.977 0.050 1 652 195 194 THR CB C 67.722 0.050 1 653 195 194 THR N N 102.679 0.050 1 654 196 195 ALA H H 6.713 0.005 1 655 196 195 ALA C C 177.023 0.050 1 656 196 195 ALA CA C 51.485 0.050 1 657 196 195 ALA CB C 19.037 0.050 1 658 196 195 ALA N N 124.432 0.050 1 659 199 198 ALA C C 178.882 0.050 1 660 199 198 ALA CA C 53.454 0.050 1 661 199 198 ALA CB C 17.828 0.050 1 662 200 199 LYS H H 7.308 0.005 1 663 200 199 LYS C C 175.938 0.050 1 664 200 199 LYS CA C 56.240 0.050 1 665 200 199 LYS CB C 31.540 0.050 1 666 200 199 LYS N N 115.356 0.050 1 667 201 200 LYS H H 7.569 0.005 1 668 201 200 LYS C C 175.935 0.050 1 669 201 200 LYS CA C 56.107 0.050 1 670 201 200 LYS CB C 29.052 0.050 1 671 201 200 LYS N N 115.650 0.050 1 672 202 201 LEU H H 8.426 0.005 1 673 202 201 LEU C C 175.819 0.050 1 674 202 201 LEU CA C 51.992 0.050 1 675 202 201 LEU CB C 40.778 0.050 1 676 202 201 LEU N N 122.025 0.050 1 677 203 202 PRO C C 175.404 0.050 1 678 203 202 PRO CA C 61.957 0.050 1 679 203 202 PRO CB C 31.095 0.050 1 680 204 203 ILE H H 8.378 0.005 1 681 204 203 ILE C C 176.199 0.050 1 682 204 203 ILE CA C 59.452 0.050 1 683 204 203 ILE CB C 35.002 0.050 1 684 204 203 ILE N N 121.118 0.050 1 685 205 204 GLN H H 7.841 0.005 1 686 205 204 GLN C C 174.361 0.050 1 687 205 204 GLN CA C 53.722 0.050 1 688 205 204 GLN CB C 31.587 0.050 1 689 205 204 GLN N N 125.347 0.050 1 690 206 205 GLU H H 9.326 0.005 1 691 206 205 GLU C C 174.860 0.050 1 692 206 205 GLU CA C 53.862 0.050 1 693 206 205 GLU CB C 31.981 0.050 1 694 206 205 GLU N N 126.131 0.050 1 695 207 206 PHE H H 9.479 0.005 1 696 207 206 PHE C C 175.558 0.050 1 697 207 206 PHE CA C 56.097 0.050 1 698 207 206 PHE CB C 41.936 0.050 1 699 207 206 PHE N N 122.963 0.050 1 700 208 207 HIS H H 8.504 0.005 1 701 208 207 HIS C C 176.037 0.050 1 702 208 207 HIS CA C 54.711 0.050 1 703 208 207 HIS CB C 31.686 0.050 1 704 208 207 HIS N N 121.732 0.050 1 705 209 208 LEU H H 8.015 0.005 1 706 209 208 LEU C C 177.906 0.050 1 707 209 208 LEU CA C 57.835 0.050 1 708 209 208 LEU CB C 41.830 0.050 1 709 209 208 LEU N N 128.418 0.050 1 710 210 209 SER C C 177.345 0.050 1 711 211 210 ARG H H 6.816 0.005 1 712 211 210 ARG C C 177.815 0.050 1 713 211 210 ARG CA C 56.648 0.050 1 714 211 210 ARG CB C 28.855 0.050 1 715 211 210 ARG N N 120.563 0.050 1 716 212 211 ILE H H 7.496 0.005 1 717 212 211 ILE C C 177.048 0.050 1 718 212 211 ILE CA C 65.852 0.050 1 719 212 211 ILE CB C 37.105 0.050 1 720 212 211 ILE N N 121.338 0.050 1 721 213 212 LEU H H 7.938 0.005 1 722 213 212 LEU C C 179.928 0.050 1 723 213 212 LEU CA C 57.968 0.050 1 724 213 212 LEU CB C 37.984 0.050 1 725 213 212 LEU N N 116.174 0.050 1 726 214 213 GLN H H 7.764 0.005 1 727 214 213 GLN C C 179.454 0.050 1 728 214 213 GLN CA C 58.354 0.050 1 729 214 213 GLN CB C 28.345 0.050 1 730 214 213 GLN N N 117.337 0.050 1 731 215 214 GLU H H 8.263 0.005 1 732 215 214 GLU C C 179.082 0.050 1 733 215 214 GLU CA C 58.636 0.050 1 734 215 214 GLU CB C 28.788 0.050 1 735 215 214 GLU N N 118.833 0.050 1 736 216 215 LEU H H 7.828 0.005 1 737 216 215 LEU C C 176.752 0.050 1 738 216 215 LEU CA C 54.539 0.050 1 739 216 215 LEU CB C 41.823 0.050 1 740 216 215 LEU N N 114.628 0.050 1 741 217 216 GLY H H 7.679 0.005 1 742 217 216 GLY C C 174.680 0.050 1 743 217 216 GLY CA C 46.356 0.050 1 744 217 216 GLY N N 110.794 0.050 1 745 218 217 LEU H H 7.858 0.005 1 746 218 217 LEU C C 176.120 0.050 1 747 218 217 LEU CA C 52.489 0.050 1 748 218 217 LEU CB C 44.895 0.050 1 749 218 217 LEU N N 117.592 0.050 1 750 219 218 ASN H H 7.518 0.005 1 751 219 218 ASN C C 176.226 0.050 1 752 219 218 ASN CA C 50.105 0.050 1 753 219 218 ASN CB C 38.660 0.050 1 754 219 218 ASN N N 116.218 0.050 1 755 220 219 GLN H H 8.556 0.005 1 756 220 219 GLN C C 177.900 0.050 1 757 220 219 GLN CA C 58.861 0.050 1 758 220 219 GLN CB C 26.882 0.050 1 759 220 219 GLN N N 119.204 0.050 1 760 221 220 GLU H H 8.584 0.005 1 761 221 220 GLU C C 178.519 0.050 1 762 221 220 GLU CA C 60.833 0.050 1 763 221 220 GLU CB C 28.344 0.050 1 764 221 220 GLU N N 118.769 0.050 1 765 222 221 GLN H H 8.209 0.005 1 766 222 221 GLN C C 178.416 0.050 1 767 222 221 GLN CA C 57.739 0.050 1 768 222 221 GLN CB C 28.579 0.050 1 769 222 221 GLN N N 118.706 0.050 1 770 223 222 PHE H H 8.479 0.005 1 771 223 222 PHE C C 177.503 0.050 1 772 223 222 PHE CA C 60.440 0.050 1 773 223 222 PHE CB C 38.806 0.050 1 774 223 222 PHE N N 121.072 0.050 1 775 224 223 VAL H H 8.666 0.005 1 776 224 223 VAL C C 177.213 0.050 1 777 224 223 VAL CA C 67.072 0.050 1 778 224 223 VAL CB C 30.047 0.050 1 779 224 223 VAL N N 122.925 0.050 1 780 225 224 ASP H H 7.371 0.005 1 781 225 224 ASP C C 178.768 0.050 1 782 225 224 ASP CA C 57.119 0.050 1 783 225 224 ASP CB C 40.355 0.050 1 784 225 224 ASP N N 120.304 0.050 1 785 226 225 LEU H H 8.420 0.005 1 786 226 225 LEU C C 177.608 0.050 1 787 226 225 LEU CA C 57.716 0.050 1 788 226 225 LEU CB C 39.819 0.050 1 789 226 225 LEU N N 121.338 0.050 1 790 227 226 CYS H H 7.602 0.005 1 791 227 226 CYS C C 176.245 0.050 1 792 227 226 CYS CA C 63.609 0.050 1 793 227 226 CYS CB C 25.681 0.050 1 794 227 226 CYS N N 116.279 0.050 1 795 228 227 ILE H H 7.886 0.005 1 796 228 227 ILE C C 178.781 0.050 1 797 228 227 ILE CA C 64.589 0.050 1 798 228 227 ILE CB C 36.870 0.050 1 799 228 227 ILE N N 120.931 0.050 1 800 229 228 LEU H H 7.844 0.005 1 801 229 228 LEU C C 179.815 0.050 1 802 229 228 LEU CA C 56.194 0.050 1 803 229 228 LEU CB C 41.062 0.050 1 804 229 228 LEU N N 118.961 0.050 1 805 230 229 LEU H H 8.158 0.005 1 806 230 229 LEU C C 177.519 0.050 1 807 230 229 LEU CA C 56.870 0.050 1 808 230 229 LEU CB C 39.066 0.050 1 809 230 229 LEU N N 121.692 0.050 1 810 231 230 GLY H H 7.287 0.005 1 811 231 230 GLY C C 171.380 0.050 1 812 231 230 GLY CA C 46.035 0.050 1 813 231 230 GLY N N 106.514 0.050 1 814 232 231 SER H H 9.930 0.005 1 815 232 231 SER C C 173.952 0.050 1 816 232 231 SER CA C 57.178 0.050 1 817 232 231 SER CB C 67.606 0.050 1 818 232 231 SER N N 128.956 0.050 1 819 233 232 ASP H H 9.250 0.005 1 820 233 232 ASP C C 175.331 0.050 1 821 233 232 ASP CA C 54.593 0.050 1 822 233 232 ASP CB C 40.188 0.050 1 823 233 232 ASP N N 117.224 0.050 1 824 234 233 TYR H H 7.327 0.005 1 825 234 233 TYR C C 174.943 0.050 1 826 234 233 TYR CA C 56.382 0.050 1 827 234 233 TYR CB C 40.091 0.050 1 828 234 233 TYR N N 113.351 0.050 1 829 235 234 CYS H H 7.170 0.005 1 830 235 234 CYS C C 173.472 0.050 1 831 235 234 CYS CA C 55.662 0.050 1 832 235 234 CYS CB C 28.955 0.050 1 833 235 234 CYS N N 108.619 0.050 1 834 236 235 GLU H H 9.250 0.005 1 835 236 235 GLU C C 175.445 0.050 1 836 236 235 GLU CA C 56.975 0.050 1 837 236 235 GLU CB C 30.338 0.050 1 838 236 235 GLU N N 121.081 0.050 1 839 237 236 SER H H 8.077 0.005 1 840 237 236 SER C C 172.976 0.050 1 841 237 236 SER CA C 56.117 0.050 1 842 237 236 SER CB C 63.646 0.050 1 843 237 236 SER N N 115.230 0.050 1 844 238 237 ILE H H 8.287 0.005 1 845 238 237 ILE C C 176.885 0.050 1 846 238 237 ILE CA C 60.706 0.050 1 847 238 237 ILE CB C 37.164 0.050 1 848 238 237 ILE N N 119.187 0.050 1 849 239 238 ARG H H 8.630 0.005 1 850 239 238 ARG C C 177.054 0.050 1 851 239 238 ARG CA C 57.386 0.050 1 852 239 238 ARG CB C 28.946 0.050 1 853 239 238 ARG N N 131.162 0.050 1 854 240 239 GLY H H 8.588 0.005 1 855 240 239 GLY C C 174.204 0.050 1 856 240 239 GLY CA C 44.728 0.050 1 857 240 239 GLY N N 110.332 0.050 1 858 241 240 ILE H H 7.238 0.005 1 859 241 240 ILE C C 175.327 0.050 1 860 241 240 ILE CA C 59.373 0.050 1 861 241 240 ILE CB C 35.763 0.050 1 862 241 240 ILE N N 120.888 0.050 1 863 242 241 GLY H H 8.301 0.005 1 864 242 241 GLY C C 171.702 0.050 1 865 242 241 GLY CA C 44.105 0.050 1 866 242 241 GLY N N 116.373 0.050 1 867 243 242 PRO C C 177.901 0.050 1 868 243 242 PRO CA C 65.575 0.050 1 869 243 242 PRO CB C 32.146 0.050 1 870 244 243 LYS H H 7.880 0.005 1 871 244 243 LYS C C 179.572 0.050 1 872 244 243 LYS CA C 58.996 0.050 1 873 244 243 LYS CB C 30.482 0.050 1 874 244 243 LYS N N 114.690 0.050 1 875 245 244 ARG H H 7.602 0.005 1 876 245 244 ARG C C 177.597 0.050 1 877 245 244 ARG CA C 57.158 0.050 1 878 245 244 ARG CB C 28.347 0.050 1 879 245 244 ARG N N 122.108 0.050 1 880 246 245 ALA H H 8.530 0.005 1 881 246 245 ALA C C 178.593 0.050 1 882 246 245 ALA CA C 55.340 0.050 1 883 246 245 ALA CB C 17.012 0.050 1 884 246 245 ALA N N 121.989 0.050 1 885 247 246 VAL H H 7.398 0.005 1 886 247 246 VAL C C 176.773 0.050 1 887 247 246 VAL CA C 66.328 0.050 1 888 247 246 VAL CB C 30.735 0.050 1 889 247 246 VAL N N 115.705 0.050 1 890 248 247 ASP H H 7.286 0.005 1 891 248 247 ASP C C 178.710 0.050 1 892 248 247 ASP CA C 57.178 0.050 1 893 248 247 ASP CB C 41.411 0.050 1 894 248 247 ASP N N 119.450 0.050 1 895 249 248 LEU H H 8.531 0.005 1 896 249 248 LEU C C 179.430 0.050 1 897 249 248 LEU CA C 57.230 0.050 1 898 249 248 LEU CB C 40.999 0.050 1 899 249 248 LEU N N 117.274 0.050 1 900 250 249 ILE H H 8.211 0.005 1 901 250 249 ILE C C 178.790 0.050 1 902 250 249 ILE CA C 60.703 0.050 1 903 250 249 ILE CB C 34.965 0.050 1 904 250 249 ILE N N 120.938 0.050 1 905 251 250 GLN H H 8.522 0.005 1 906 251 250 GLN C C 178.707 0.050 1 907 251 250 GLN CA C 58.871 0.050 1 908 251 250 GLN CB C 27.372 0.050 1 909 251 250 GLN N N 120.880 0.050 1 910 252 251 LYS H H 7.727 0.005 1 911 252 251 LYS C C 178.365 0.050 1 912 252 251 LYS CA C 58.438 0.050 1 913 252 251 LYS CB C 32.330 0.050 1 914 252 251 LYS N N 116.366 0.050 1 915 253 252 HIS H H 8.246 0.005 1 916 253 252 HIS C C 177.731 0.050 1 917 253 252 HIS CA C 56.045 0.050 1 918 253 252 HIS CB C 30.960 0.050 1 919 253 252 HIS N N 114.969 0.050 1 920 254 253 LYS H H 8.049 0.005 1 921 254 253 LYS C C 175.733 0.050 1 922 254 253 LYS CA C 59.715 0.050 1 923 254 253 LYS CB C 29.459 0.050 1 924 254 253 LYS N N 113.897 0.050 1 925 255 254 SER H H 8.031 0.005 1 926 255 254 SER C C 174.559 0.050 1 927 255 254 SER CA C 55.600 0.050 1 928 255 254 SER CB C 66.106 0.050 1 929 255 254 SER N N 112.907 0.050 1 930 256 255 ILE H H 8.365 0.005 1 931 256 255 ILE C C 176.871 0.050 1 932 256 255 ILE CA C 65.752 0.050 1 933 256 255 ILE CB C 36.402 0.050 1 934 256 255 ILE N N 122.367 0.050 1 935 257 256 GLU H H 8.985 0.005 1 936 257 256 GLU C C 178.550 0.050 1 937 257 256 GLU CA C 59.776 0.050 1 938 257 256 GLU CB C 28.608 0.050 1 939 257 256 GLU N N 118.609 0.050 1 940 258 257 GLU H H 7.358 0.005 1 941 258 257 GLU C C 178.315 0.050 1 942 258 257 GLU CA C 57.528 0.050 1 943 258 257 GLU CB C 28.604 0.050 1 944 258 257 GLU N N 118.199 0.050 1 945 259 258 ILE H H 7.838 0.005 1 946 259 258 ILE C C 178.397 0.050 1 947 259 258 ILE CA C 65.749 0.050 1 948 259 258 ILE CB C 37.215 0.050 1 949 259 258 ILE N N 121.019 0.050 1 950 260 259 VAL H H 8.535 0.005 1 951 260 259 VAL C C 178.061 0.050 1 952 260 259 VAL CA C 65.971 0.050 1 953 260 259 VAL CB C 30.640 0.050 1 954 260 259 VAL N N 116.669 0.050 1 955 261 260 ARG H H 7.070 0.005 1 956 261 260 ARG C C 177.740 0.050 1 957 261 260 ARG CA C 58.120 0.050 1 958 261 260 ARG CB C 29.607 0.050 1 959 261 260 ARG N N 117.197 0.050 1 960 262 261 ARG H H 7.371 0.005 1 961 262 261 ARG C C 176.910 0.050 1 962 262 261 ARG CA C 54.733 0.050 1 963 262 261 ARG CB C 29.888 0.050 1 964 262 261 ARG N N 116.615 0.050 1 965 263 262 LEU H H 7.338 0.005 1 966 263 262 LEU C C 177.022 0.050 1 967 263 262 LEU CA C 53.994 0.050 1 968 263 262 LEU CB C 42.169 0.050 1 969 263 262 LEU N N 121.446 0.050 1 970 264 263 ASP H H 8.471 0.005 1 971 264 263 ASP C C 175.697 0.050 1 972 264 263 ASP CA C 51.358 0.050 1 973 264 263 ASP CB C 41.013 0.050 1 974 264 263 ASP N N 125.050 0.050 1 975 265 264 PRO C C 177.571 0.050 1 976 265 264 PRO CA C 63.597 0.050 1 977 265 264 PRO CB C 31.271 0.050 1 978 266 265 ASN H H 8.279 0.005 1 979 266 265 ASN C C 175.826 0.050 1 980 266 265 ASN CA C 54.243 0.050 1 981 266 265 ASN CB C 38.130 0.050 1 982 266 265 ASN N N 115.871 0.050 1 983 267 266 LYS H H 7.362 0.005 1 984 267 266 LYS C C 175.544 0.050 1 985 267 266 LYS CA C 56.484 0.050 1 986 267 266 LYS CB C 34.072 0.050 1 987 267 266 LYS N N 119.110 0.050 1 988 268 267 TYR H H 7.764 0.005 1 989 268 267 TYR C C 171.111 0.050 1 990 268 267 TYR CA C 53.997 0.050 1 991 268 267 TYR CB C 38.571 0.050 1 992 268 267 TYR N N 116.966 0.050 1 993 269 268 PRO C C 176.863 0.050 1 994 269 268 PRO CA C 62.139 0.050 1 995 269 268 PRO CB C 30.737 0.050 1 996 270 269 VAL H H 7.999 0.005 1 997 270 269 VAL C C 174.450 0.050 1 998 270 269 VAL CA C 58.947 0.050 1 999 270 269 VAL CB C 31.230 0.050 1 1000 270 269 VAL N N 121.731 0.050 1 1001 271 270 PRO C C 175.939 0.050 1 1002 271 270 PRO CA C 62.456 0.050 1 1003 271 270 PRO CB C 30.979 0.050 1 1004 272 271 GLU H H 8.383 0.005 1 1005 272 271 GLU C C 177.142 0.050 1 1006 272 271 GLU CA C 56.486 0.050 1 1007 272 271 GLU CB C 29.256 0.050 1 1008 272 271 GLU N N 122.725 0.050 1 1009 273 272 ASN H H 8.958 0.005 1 1010 273 272 ASN C C 174.456 0.050 1 1011 273 272 ASN CA C 53.339 0.050 1 1012 273 272 ASN CB C 36.898 0.050 1 1013 273 272 ASN N N 121.043 0.050 1 1014 274 273 TRP H H 7.830 0.005 1 1015 274 273 TRP C C 178.773 0.050 1 1016 274 273 TRP CA C 55.586 0.050 1 1017 274 273 TRP CB C 28.819 0.050 1 1018 274 273 TRP N N 118.524 0.050 1 1019 275 274 LEU C C 176.680 0.050 1 1020 275 274 LEU CA C 54.586 0.050 1 1021 275 274 LEU CB C 38.628 0.050 1 1022 276 275 HIS H H 6.070 0.005 1 1023 276 275 HIS C C 176.566 0.050 1 1024 276 275 HIS CA C 58.225 0.050 1 1025 276 275 HIS CB C 27.878 0.050 1 1026 276 275 HIS N N 118.139 0.050 1 1027 277 276 LYS H H 7.458 0.005 1 1028 277 276 LYS C C 179.592 0.050 1 1029 277 276 LYS CA C 58.849 0.050 1 1030 277 276 LYS CB C 30.045 0.050 1 1031 277 276 LYS N N 122.596 0.050 1 1032 278 277 GLU H H 8.632 0.005 1 1033 278 277 GLU C C 179.392 0.050 1 1034 278 277 GLU CA C 59.563 0.050 1 1035 278 277 GLU CB C 27.381 0.050 1 1036 278 277 GLU N N 122.796 0.050 1 1037 279 278 ALA H H 7.757 0.005 1 1038 279 278 ALA C C 177.184 0.050 1 1039 279 278 ALA CA C 54.417 0.050 1 1040 279 278 ALA CB C 18.747 0.050 1 1041 279 278 ALA N N 122.652 0.050 1 1042 280 279 HIS H H 8.355 0.005 1 1043 280 279 HIS C C 176.525 0.050 1 1044 280 279 HIS CA C 58.956 0.050 1 1045 280 279 HIS CB C 28.256 0.050 1 1046 280 279 HIS N N 117.636 0.050 1 1047 281 280 GLN H H 7.648 0.005 1 1048 281 280 GLN C C 177.589 0.050 1 1049 281 280 GLN CA C 58.229 0.050 1 1050 281 280 GLN CB C 27.791 0.050 1 1051 281 280 GLN N N 116.680 0.050 1 1052 282 281 LEU H H 7.495 0.005 1 1053 282 281 LEU C C 178.589 0.050 1 1054 282 281 LEU CA C 57.343 0.050 1 1055 282 281 LEU CB C 40.416 0.050 1 1056 282 281 LEU N N 121.039 0.050 1 1057 291 290 PRO C C 176.962 0.050 1 1058 291 290 PRO CA C 63.830 0.050 1 1059 291 290 PRO CB C 32.442 0.050 1 1060 292 291 GLU H H 7.961 0.005 1 1061 292 291 GLU C C 177.719 0.050 1 1062 292 291 GLU CA C 56.358 0.050 1 1063 292 291 GLU CB C 28.078 0.050 1 1064 292 291 GLU N N 113.783 0.050 1 1065 293 292 SER H H 7.580 0.005 1 1066 293 292 SER C C 174.077 0.050 1 1067 293 292 SER CA C 58.201 0.050 1 1068 293 292 SER CB C 63.995 0.050 1 1069 293 292 SER N N 112.866 0.050 1 1070 294 293 VAL H H 6.775 0.005 1 1071 294 293 VAL C C 174.507 0.050 1 1072 294 293 VAL CA C 60.710 0.050 1 1073 294 293 VAL CB C 32.301 0.050 1 1074 294 293 VAL N N 118.171 0.050 1 1075 295 294 GLU H H 8.450 0.005 1 1076 295 294 GLU C C 175.094 0.050 1 1077 295 294 GLU CA C 54.494 0.050 1 1078 295 294 GLU CB C 29.924 0.050 1 1079 295 294 GLU N N 127.327 0.050 1 1080 296 295 LEU H H 8.497 0.005 1 1081 296 295 LEU C C 175.019 0.050 1 1082 296 295 LEU CA C 53.703 0.050 1 1083 296 295 LEU CB C 41.413 0.050 1 1084 296 295 LEU N N 126.258 0.050 1 1085 297 296 LYS H H 7.229 0.005 1 1086 297 296 LYS C C 173.408 0.050 1 1087 297 296 LYS CA C 54.839 0.050 1 1088 297 296 LYS CB C 34.585 0.050 1 1089 297 296 LYS N N 122.901 0.050 1 1090 298 297 TRP H H 8.773 0.005 1 1091 298 297 TRP C C 176.228 0.050 1 1092 298 297 TRP CA C 58.832 0.050 1 1093 298 297 TRP CB C 30.366 0.050 1 1094 298 297 TRP N N 126.825 0.050 1 1095 299 298 SER H H 9.220 0.005 1 1096 299 298 SER C C 172.813 0.050 1 1097 299 298 SER CA C 56.483 0.050 1 1098 299 298 SER CB C 64.614 0.050 1 1099 299 298 SER N N 120.501 0.050 1 1100 300 299 GLU H H 8.430 0.005 1 1101 300 299 GLU C C 174.736 0.050 1 1102 300 299 GLU CA C 54.464 0.050 1 1103 300 299 GLU CB C 28.413 0.050 1 1104 300 299 GLU N N 121.378 0.050 1 1105 301 300 PRO C C 175.663 0.050 1 1106 301 300 PRO CA C 61.979 0.050 1 1107 301 300 PRO CB C 31.680 0.050 1 1108 302 301 ASN H H 8.541 0.005 1 1109 302 301 ASN C C 174.777 0.050 1 1110 302 301 ASN CA C 50.821 0.050 1 1111 302 301 ASN CB C 36.608 0.050 1 1112 302 301 ASN N N 121.357 0.050 1 1113 303 302 GLU H H 8.325 0.005 1 1114 303 302 GLU C C 177.399 0.050 1 1115 303 302 GLU CA C 60.931 0.050 1 1116 303 302 GLU CB C 29.331 0.050 1 1117 303 302 GLU N N 124.128 0.050 1 1118 304 303 GLU H H 8.743 0.005 1 1119 304 303 GLU C C 180.450 0.050 1 1120 304 303 GLU CA C 59.223 0.050 1 1121 304 303 GLU CB C 28.201 0.050 1 1122 304 303 GLU N N 116.367 0.050 1 1123 305 304 GLU H H 7.539 0.005 1 1124 305 304 GLU C C 179.130 0.050 1 1125 305 304 GLU CA C 57.733 0.050 1 1126 305 304 GLU CB C 28.783 0.050 1 1127 305 304 GLU N N 118.042 0.050 1 1128 306 305 LEU H H 8.525 0.005 1 1129 306 305 LEU C C 178.801 0.050 1 1130 306 305 LEU CA C 58.604 0.050 1 1131 306 305 LEU CB C 41.059 0.050 1 1132 306 305 LEU N N 122.992 0.050 1 1133 307 306 ILE H H 8.075 0.005 1 1134 307 306 ILE C C 178.608 0.050 1 1135 307 306 ILE CA C 63.486 0.050 1 1136 307 306 ILE CB C 35.819 0.050 1 1137 307 306 ILE N N 120.366 0.050 1 1138 308 307 LYS H H 7.769 0.005 1 1139 308 307 LYS C C 178.553 0.050 1 1140 308 307 LYS CA C 59.957 0.050 1 1141 308 307 LYS CB C 31.395 0.050 1 1142 308 307 LYS N N 121.780 0.050 1 1143 309 308 PHE H H 8.068 0.005 1 1144 309 308 PHE C C 176.394 0.050 1 1145 309 308 PHE CA C 59.087 0.050 1 1146 309 308 PHE CB C 39.715 0.050 1 1147 309 308 PHE N N 117.160 0.050 1 1148 310 309 MET H H 8.752 0.005 1 1149 310 309 MET C C 176.363 0.050 1 1150 310 309 MET CA C 56.586 0.050 1 1151 310 309 MET CB C 32.096 0.050 1 1152 310 309 MET N N 114.576 0.050 1 1153 311 310 CYS H H 8.390 0.005 1 1154 311 310 CYS C C 177.195 0.050 1 1155 311 310 CYS CA C 58.797 0.050 1 1156 311 310 CYS CB C 27.761 0.050 1 1157 311 310 CYS N N 116.476 0.050 1 1158 312 311 GLY H H 7.647 0.005 1 1159 312 311 GLY C C 175.195 0.050 1 1160 312 311 GLY CA C 47.129 0.050 1 1161 312 311 GLY N N 109.566 0.050 1 1162 313 312 GLU H H 7.582 0.005 1 1163 313 312 GLU C C 179.212 0.050 1 1164 313 312 GLU CA C 57.895 0.050 1 1165 313 312 GLU CB C 28.820 0.050 1 1166 313 312 GLU N N 118.869 0.050 1 1167 314 313 LYS H H 7.229 0.005 1 1168 314 313 LYS C C 175.656 0.050 1 1169 314 313 LYS CA C 53.664 0.050 1 1170 314 313 LYS CB C 30.179 0.050 1 1171 314 313 LYS N N 113.887 0.050 1 1172 315 314 GLN H H 6.785 0.005 1 1173 315 314 GLN C C 175.928 0.050 1 1174 315 314 GLN CA C 56.870 0.050 1 1175 315 314 GLN CB C 25.003 0.050 1 1176 315 314 GLN N N 109.651 0.050 1 1177 316 315 PHE H H 8.589 0.005 1 1178 316 315 PHE C C 176.808 0.050 1 1179 316 315 PHE CA C 58.406 0.050 1 1180 316 315 PHE CB C 38.573 0.050 1 1181 316 315 PHE N N 119.016 0.050 1 1182 317 316 SER H H 8.750 0.005 1 1183 317 316 SER C C 176.010 0.050 1 1184 317 316 SER CA C 57.452 0.050 1 1185 317 316 SER CB C 62.853 0.050 1 1186 317 316 SER N N 116.802 0.050 1 1187 318 317 GLU H H 8.992 0.005 1 1188 318 317 GLU C C 178.377 0.050 1 1189 318 317 GLU CA C 59.928 0.050 1 1190 318 317 GLU CB C 28.695 0.050 1 1191 318 317 GLU N N 130.702 0.050 1 1192 319 318 GLU H H 8.520 0.005 1 1193 319 318 GLU C C 179.760 0.050 1 1194 319 318 GLU CA C 59.225 0.050 1 1195 319 318 GLU CB C 28.457 0.050 1 1196 319 318 GLU N N 118.955 0.050 1 1197 320 319 ARG H H 7.310 0.005 1 1198 320 319 ARG C C 179.858 0.050 1 1199 320 319 ARG CA C 58.142 0.050 1 1200 320 319 ARG CB C 29.474 0.050 1 1201 320 319 ARG N N 118.320 0.050 1 1202 321 320 ILE H H 7.947 0.005 1 1203 321 320 ILE C C 178.748 0.050 1 1204 321 320 ILE CA C 60.978 0.050 1 1205 321 320 ILE CB C 33.967 0.050 1 1206 321 320 ILE N N 120.465 0.050 1 1207 322 321 ARG H H 9.091 0.005 1 1208 322 321 ARG C C 179.615 0.050 1 1209 322 321 ARG CA C 60.545 0.050 1 1210 322 321 ARG CB C 28.622 0.050 1 1211 322 321 ARG N N 120.210 0.050 1 1212 323 322 SER H H 7.885 0.005 1 1213 323 322 SER C C 177.522 0.050 1 1214 323 322 SER CA C 61.289 0.050 1 1215 323 322 SER CB C 61.907 0.050 1 1216 323 322 SER N N 114.099 0.050 1 1217 324 323 GLY H H 7.927 0.005 1 1218 324 323 GLY C C 174.639 0.050 1 1219 324 323 GLY CA C 47.219 0.050 1 1220 324 323 GLY N N 109.989 0.050 1 1221 325 324 VAL H H 8.591 0.005 1 1222 325 324 VAL C C 178.266 0.050 1 1223 325 324 VAL CA C 66.335 0.050 1 1224 325 324 VAL CB C 30.326 0.050 1 1225 325 324 VAL N N 121.382 0.050 1 1226 326 325 LYS H H 7.991 0.005 1 1227 326 325 LYS C C 179.481 0.050 1 1228 326 325 LYS CA C 58.745 0.050 1 1229 326 325 LYS CB C 30.962 0.050 1 1230 326 325 LYS N N 121.025 0.050 1 1231 327 326 ARG H H 7.425 0.005 1 1232 327 326 ARG C C 178.877 0.050 1 1233 327 326 ARG CA C 58.724 0.050 1 1234 327 326 ARG CB C 30.188 0.050 1 1235 327 326 ARG N N 118.827 0.050 1 1236 328 327 LEU H H 7.814 0.005 1 1237 328 327 LEU C C 178.750 0.050 1 1238 328 327 LEU CA C 56.404 0.050 1 1239 328 327 LEU CB C 40.857 0.050 1 1240 328 327 LEU N N 119.050 0.050 1 1241 329 328 SER H H 8.257 0.005 1 1242 329 328 SER C C 176.430 0.050 1 1243 329 328 SER CA C 60.118 0.050 1 1244 329 328 SER CB C 62.649 0.050 1 1245 329 328 SER N N 115.276 0.050 1 1246 330 329 LYS H H 8.048 0.005 1 1247 330 329 LYS C C 178.014 0.050 1 1248 330 329 LYS CA C 57.489 0.050 1 1249 330 329 LYS CB C 31.443 0.050 1 1250 330 329 LYS N N 122.288 0.050 1 1251 331 330 SER C C 174.994 0.050 1 1252 331 330 SER CA C 59.467 0.050 1 1253 331 330 SER CB C 62.908 0.050 1 1254 332 331 ARG H H 7.714 0.005 1 1255 332 331 ARG C C 176.689 0.050 1 1256 332 331 ARG CA C 56.121 0.050 1 1257 332 331 ARG CB C 29.513 0.050 1 1258 332 331 ARG N N 122.067 0.050 1 1259 336 335 THR C C 174.452 0.050 1 1260 336 335 THR CA C 61.597 0.050 1 1261 336 335 THR CB C 69.176 0.050 1 1262 337 336 LEU H H 8.073 0.005 1 1263 337 336 LEU C C 177.209 0.050 1 1264 337 336 LEU CA C 54.962 0.050 1 1265 337 336 LEU CB C 41.267 0.050 1 1266 337 336 LEU N N 124.339 0.050 1 1267 338 337 GLU H H 8.191 0.005 1 1268 338 337 GLU C C 176.256 0.050 1 1269 338 337 GLU CA C 56.209 0.050 1 1270 338 337 GLU CB C 29.386 0.050 1 1271 338 337 GLU N N 122.198 0.050 1 1272 339 338 VAL H H 7.950 0.005 1 1273 339 338 VAL C C 175.738 0.050 1 1274 339 338 VAL CA C 61.831 0.050 1 1275 339 338 VAL CB C 31.748 0.050 1 1276 339 338 VAL N N 121.754 0.050 1 1277 340 339 LEU H H 8.068 0.005 1 1278 340 339 LEU C C 176.780 0.050 1 1279 340 339 LEU CA C 54.581 0.050 1 1280 340 339 LEU CB C 41.556 0.050 1 1281 340 339 LEU N N 125.738 0.050 1 1282 341 340 PHE H H 8.052 0.005 1 1283 341 340 PHE C C 174.692 0.050 1 1284 341 340 PHE CA C 57.099 0.050 1 1285 341 340 PHE CB C 38.686 0.050 1 1286 341 340 PHE N N 121.177 0.050 1 1287 342 341 GLN H H 7.697 0.005 1 1288 342 341 GLN C C 180.254 0.050 1 1289 342 341 GLN CA C 56.864 0.050 1 1290 342 341 GLN CB C 29.757 0.050 1 1291 342 341 GLN N N 126.537 0.050 1 stop_ save_