data_27403 ####################### # 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 P188A human flap endonuclease-1 ; _BMRB_accession_number 27403 _BMRB_flat_file_name bmr27403.str _Entry_type original _Submission_date 2018-02-15 _Accession_date 2018-02-15 _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" 250 "13C chemical shifts" 780 "15N chemical shifts" 250 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-03-02 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 27160 '1H, 15N, 13C backbone resonance assignments of the nuclease core residues 2-336 of wild-type human flap endonuclease-1' 27404 ; 1H, 15N, 13C backbone resonance assignments of the nuclease core residues 2-336 of K93A human flap endonuclease-1 in complex with dual-hairpin DNA substrate ; stop_ _Original_release_date 2018-02-15 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Evidence of dynamics and disorder using NMR-spectroscopic techniques applied to human Flap-Endonuclease-1 ; _Citation_status 'in preparation' _Citation_type thesis _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bennet Ian A. . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Thesis_institution 'University of Sheffield' _Thesis_institution_city Sheffield _Thesis_institution_country UK _Page_first . _Page_last . _Year . _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-P188A _Enzyme_commission_number 'EC 3.1.-.-' loop_ _Mol_system_component_name _Mol_label hFEN1-336-P188A $hFEN1-P188A stop_ _System_molecular_weight 38431.14 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_hFEN1-P188A _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common hFEN1-P188A _Molecular_mass 38431.14 _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 CLTFGSAVLMRHLTASEAKK 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 ALA 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-P188A 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-P188A '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-P188A 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 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 600 _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-P188A _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 170.41 0.000 1 2 2 1 GLY CA C 43.739 0.000 1 3 3 2 ILE H H 7.986 0.005 1 4 3 2 ILE C C 176.638 0.009 1 5 3 2 ILE CA C 57.162 0.038 1 6 3 2 ILE CB C 35.460 0.034 1 7 3 2 ILE N N 122.217 0.041 1 8 4 3 GLN H H 8.750 0.002 1 9 4 3 GLN C C 176.583 0.000 1 10 4 3 GLN CA C 57.094 0.029 1 11 4 3 GLN CB C 27.198 0.071 1 12 4 3 GLN N N 129.109 0.034 1 13 5 4 GLY H H 8.734 0.004 1 14 5 4 GLY C C 176.116 0.022 1 15 5 4 GLY CA C 45.734 0.067 1 16 5 4 GLY N N 110.274 0.047 1 17 6 5 LEU H H 7.148 0.003 1 18 6 5 LEU C C 176.818 0.034 1 19 6 5 LEU CA C 57.540 0.035 1 20 6 5 LEU CB C 39.744 0.018 1 21 6 5 LEU N N 121.988 0.024 1 22 7 6 ALA H H 8.496 0.006 1 23 7 6 ALA C C 180.252 0.011 1 24 7 6 ALA CA C 56.412 0.014 1 25 7 6 ALA CB C 16.475 0.008 1 26 7 6 ALA N N 121.499 0.091 1 27 8 7 LYS H H 7.949 0.003 1 28 8 7 LYS C C 177.661 0.010 1 29 8 7 LYS CA C 58.180 0.049 1 30 8 7 LYS CB C 31.239 0.062 1 31 8 7 LYS N N 119.334 0.054 1 32 9 8 LEU H H 7.757 0.004 1 33 9 8 LEU C C 179.177 0.000 1 34 9 8 LEU CA C 57.592 0.018 1 35 9 8 LEU CB C 41.193 0.032 1 36 9 8 LEU N N 119.972 0.069 1 37 10 9 ILE H H 8.366 0.004 1 38 10 9 ILE C C 177.110 0.000 1 39 10 9 ILE CA C 64.072 0.005 1 40 10 9 ILE CB C 35.923 0.088 1 41 10 9 ILE N N 117.530 0.048 1 42 11 10 ALA H H 7.396 0.004 1 43 11 10 ALA C C 178.291 0.010 1 44 11 10 ALA CA C 54.871 0.057 1 45 11 10 ALA CB C 17.025 0.032 1 46 11 10 ALA N N 120.093 0.039 1 47 12 11 ASP H H 7.739 0.003 1 48 12 11 ASP C C 178.471 0.000 1 49 12 11 ASP CA C 56.295 0.021 1 50 12 11 ASP CB C 41.183 0.000 1 51 12 11 ASP N N 115.758 0.085 1 52 13 12 VAL H H 8.372 0.003 1 53 13 12 VAL C C 175.340 0.018 1 54 13 12 VAL CA C 61.367 0.031 1 55 13 12 VAL CB C 32.223 0.020 1 56 13 12 VAL N N 111.512 0.100 1 57 14 13 ALA H H 8.794 0.004 1 58 14 13 ALA CA C 49.819 0.000 1 59 14 13 ALA CB C 18.237 0.000 1 60 14 13 ALA N N 125.506 0.067 1 61 15 14 PRO C C 179.269 0.000 1 62 15 14 PRO CA C 64.990 0.057 1 63 15 14 PRO CB C 29.869 0.094 1 64 16 15 SER H H 8.117 0.005 1 65 16 15 SER C C 175.305 0.048 1 66 16 15 SER CA C 59.831 0.024 1 67 16 15 SER CB C 61.811 0.029 1 68 16 15 SER N N 113.285 0.036 1 69 17 16 ALA H H 8.193 0.002 1 70 17 16 ALA C C 174.642 0.021 1 71 17 16 ALA CA C 52.210 0.030 1 72 17 16 ALA CB C 20.165 0.141 1 73 17 16 ALA N N 123.640 0.096 1 74 18 17 ILE H H 7.217 0.005 1 75 18 17 ILE C C 175.856 0.017 1 76 18 17 ILE CA C 59.298 0.027 1 77 18 17 ILE CB C 38.511 0.038 1 78 18 17 ILE N N 117.472 0.043 1 79 19 18 ARG H H 8.676 0.003 1 80 19 18 ARG C C 174.636 0.015 1 81 19 18 ARG CA C 53.567 0.023 1 82 19 18 ARG CB C 32.221 0.018 1 83 19 18 ARG N N 125.696 0.031 1 84 20 19 GLU H H 8.382 0.002 1 85 20 19 GLU C C 175.799 0.005 1 86 20 19 GLU CA C 54.388 0.020 1 87 20 19 GLU CB C 30.729 0.000 1 88 20 19 GLU N N 122.618 0.024 1 89 21 20 ASN H H 8.853 0.003 1 90 21 20 ASN C C 173.809 0.016 1 91 21 20 ASN CA C 51.459 0.016 1 92 21 20 ASN CB C 42.827 0.206 1 93 21 20 ASN N N 121.557 0.043 1 94 22 21 ASP H H 8.583 0.002 1 95 22 21 ASP C C 177.878 0.022 1 96 22 21 ASP CA C 53.687 0.021 1 97 22 21 ASP CB C 42.471 0.029 1 98 22 21 ASP N N 120.400 0.042 1 99 23 22 ILE H H 8.650 0.002 1 100 23 22 ILE C C 175.054 0.027 1 101 23 22 ILE CA C 64.720 0.009 1 102 23 22 ILE CB C 37.270 0.030 1 103 23 22 ILE N N 127.007 0.058 1 104 24 23 LYS H H 8.219 0.003 1 105 24 23 LYS C C 178.972 0.024 1 106 24 23 LYS CA C 57.864 0.044 1 107 24 23 LYS CB C 31.098 0.021 1 108 24 23 LYS N N 120.250 0.067 1 109 25 24 SER H H 7.895 0.004 1 110 25 24 SER C C 174.483 0.016 1 111 25 24 SER CA C 59.826 0.010 1 112 25 24 SER CB C 62.416 0.030 1 113 25 24 SER N N 114.997 0.034 1 114 26 25 TYR H H 7.459 0.002 1 115 26 25 TYR C C 172.935 0.006 1 116 26 25 TYR CA C 58.311 0.007 1 117 26 25 TYR CB C 36.987 0.018 1 118 26 25 TYR N N 119.228 0.032 1 119 27 26 PHE H H 6.963 0.003 1 120 27 26 PHE C C 177.184 0.018 1 121 27 26 PHE CA C 60.264 0.057 1 122 27 26 PHE CB C 38.318 0.045 1 123 27 26 PHE N N 120.213 0.043 1 124 28 27 GLY H H 8.173 0.004 1 125 28 27 GLY C C 174.296 0.017 1 126 28 27 GLY CA C 44.607 0.085 1 127 28 27 GLY N N 117.072 0.074 1 128 29 28 ARG H H 7.876 0.005 1 129 29 28 ARG C C 174.999 0.008 1 130 29 28 ARG CA C 54.027 0.054 1 131 29 28 ARG CB C 29.569 0.046 1 132 29 28 ARG N N 119.044 0.053 1 133 30 29 LYS H H 8.353 0.004 1 134 30 29 LYS C C 177.385 0.000 1 135 30 29 LYS CB C 34.085 0.000 1 136 30 29 LYS N N 121.636 0.052 1 137 31 30 VAL C C 173.218 0.000 1 138 31 30 VAL CA C 59.335 0.024 1 139 31 30 VAL CB C 35.312 0.021 1 140 32 31 ALA H H 8.204 0.002 1 141 32 31 ALA C C 174.769 0.000 1 142 32 31 ALA CA C 49.453 0.049 1 143 32 31 ALA CB C 19.830 0.044 1 144 32 31 ALA N N 125.437 0.038 1 145 33 32 ILE H H 8.845 0.006 1 146 33 32 ILE CA C 59.175 0.000 1 147 33 32 ILE CB C 39.351 0.000 1 148 33 32 ILE N N 124.265 0.047 1 149 42 41 PHE C C 178.499 0.000 1 150 43 42 LEU H H 8.042 0.002 1 151 43 42 LEU C C 179.797 0.000 1 152 43 42 LEU CA C 56.989 0.000 1 153 43 42 LEU CB C 41.391 0.018 1 154 43 42 LEU N N 119.039 0.053 1 155 44 43 ILE H H 7.660 0.002 1 156 44 43 ILE C C 177.033 0.023 1 157 44 43 ILE CA C 61.909 0.090 1 158 44 43 ILE CB C 37.004 0.092 1 159 44 43 ILE N N 114.753 0.045 1 160 45 44 ALA H H 7.284 0.005 1 161 45 44 ALA C C 178.409 0.021 1 162 45 44 ALA CA C 53.016 0.041 1 163 45 44 ALA CB C 18.231 0.118 1 164 45 44 ALA N N 124.512 0.052 1 165 46 45 VAL H H 7.504 0.003 1 166 46 45 VAL C C 176.563 0.049 1 167 46 45 VAL CA C 62.412 0.049 1 168 46 45 VAL CB C 31.412 0.052 1 169 46 45 VAL N N 117.103 0.050 1 170 47 46 ARG H H 8.090 0.003 1 171 47 46 ARG CA C 55.792 0.000 1 172 47 46 ARG CB C 29.546 0.000 1 173 47 46 ARG N N 123.730 0.056 1 174 50 49 GLY C C 173.951 0.000 1 175 50 49 GLY CA C 44.924 0.000 1 176 51 50 ASP H H 8.188 0.002 1 177 51 50 ASP C C 176.299 0.008 1 178 51 50 ASP CA C 53.961 0.000 1 179 51 50 ASP CB C 40.668 0.085 1 180 51 50 ASP N N 120.857 0.039 1 181 52 51 VAL H H 7.881 0.002 1 182 52 51 VAL C C 176.291 0.023 1 183 52 51 VAL CA C 62.196 0.031 1 184 52 51 VAL CB C 31.602 0.027 1 185 52 51 VAL N N 119.767 0.023 1 186 53 52 LEU H H 8.197 0.003 1 187 53 52 LEU C C 177.449 0.007 1 188 53 52 LEU CA C 54.774 0.004 1 189 53 52 LEU CB C 40.932 0.014 1 190 53 52 LEU N N 124.821 0.026 1 191 54 53 GLN H H 8.177 0.002 1 192 54 53 GLN C C 175.839 0.000 1 193 54 53 GLN CA C 55.652 0.000 1 194 54 53 GLN CB C 28.451 0.000 1 195 54 53 GLN N N 120.437 0.073 1 196 65 64 MET C C 178.100 0.000 1 197 66 65 GLY H H 7.832 0.002 1 198 66 65 GLY C C 174.903 0.037 1 199 66 65 GLY CA C 46.083 0.175 1 200 66 65 GLY N N 104.597 0.035 1 201 67 66 MET H H 7.144 0.005 1 202 67 66 MET C C 178.714 0.000 1 203 67 66 MET CA C 58.282 0.000 1 204 67 66 MET N N 120.335 0.038 1 205 68 67 PHE H H 8.223 0.005 1 206 68 67 PHE C C 175.838 0.000 1 207 68 67 PHE CA C 60.779 0.068 1 208 68 67 PHE CB C 39.273 0.000 1 209 68 67 PHE N N 120.942 0.092 1 210 69 68 TYR H H 8.120 0.005 1 211 69 68 TYR C C 180.244 0.000 1 212 69 68 TYR CA C 62.896 0.122 1 213 69 68 TYR CB C 36.763 0.154 1 214 69 68 TYR N N 115.293 0.067 1 215 70 69 ARG H H 8.875 0.002 1 216 70 69 ARG CA C 58.323 0.000 1 217 70 69 ARG CB C 27.787 0.000 1 218 70 69 ARG N N 118.413 0.059 1 219 71 70 THR C C 176.260 0.000 1 220 72 71 ILE H H 7.805 0.005 1 221 72 71 ILE C C 176.516 0.000 1 222 72 71 ILE CA C 65.848 0.089 1 223 72 71 ILE CB C 36.990 0.116 1 224 72 71 ILE N N 122.849 0.018 1 225 73 72 ARG H H 7.484 0.005 1 226 73 72 ARG C C 179.050 0.000 1 227 73 72 ARG CA C 58.678 0.020 1 228 73 72 ARG CB C 28.255 0.002 1 229 73 72 ARG N N 118.653 0.032 1 230 74 73 MET H H 7.363 0.005 1 231 74 73 MET C C 178.026 0.000 1 232 74 73 MET CA C 60.368 0.000 1 233 74 73 MET CB C 31.943 0.000 1 234 74 73 MET N N 116.756 0.060 1 235 75 74 MET C C 181.273 0.001 1 236 75 74 MET CA C 57.878 0.000 1 237 75 74 MET CB C 31.429 0.000 1 238 76 75 GLU H H 9.138 0.008 1 239 76 75 GLU C C 177.018 0.006 1 240 76 75 GLU CA C 58.174 0.042 1 241 76 75 GLU CB C 28.467 0.122 1 242 76 75 GLU N N 121.458 0.040 1 243 77 76 ASN H H 7.167 0.002 1 244 77 76 ASN C C 173.437 0.000 1 245 77 76 ASN CA C 53.840 0.049 1 246 77 76 ASN CB C 40.164 0.144 1 247 77 76 ASN N N 117.082 0.077 1 248 78 77 GLY H H 7.746 0.005 1 249 78 77 GLY C C 174.343 0.031 1 250 78 77 GLY CA C 46.041 0.041 1 251 78 77 GLY N N 105.747 0.043 1 252 79 78 ILE H H 7.762 0.003 1 253 79 78 ILE C C 174.231 0.007 1 254 79 78 ILE CA C 60.509 0.032 1 255 79 78 ILE CB C 37.768 0.049 1 256 79 78 ILE N N 124.842 0.042 1 257 80 79 LYS H H 7.917 0.004 1 258 80 79 LYS CA C 51.923 0.000 1 259 80 79 LYS CB C 31.384 0.000 1 260 80 79 LYS N N 126.917 0.053 1 261 81 80 PRO C C 176.836 0.048 1 262 81 80 PRO CA C 61.366 0.016 1 263 81 80 PRO CB C 32.693 0.097 1 264 82 81 VAL H H 8.586 0.003 1 265 82 81 VAL C C 174.152 0.013 1 266 82 81 VAL CA C 58.762 0.025 1 267 82 81 VAL CB C 33.594 0.068 1 268 82 81 VAL N N 118.135 0.059 1 269 83 82 TYR H H 7.936 0.005 1 270 83 82 TYR C C 174.640 0.000 1 271 83 82 TYR CA C 58.365 0.017 1 272 83 82 TYR CB C 40.003 0.049 1 273 83 82 TYR N N 127.426 0.035 1 274 84 83 VAL H H 9.106 0.005 1 275 84 83 VAL C C 174.912 0.023 1 276 84 83 VAL CA C 60.681 0.047 1 277 84 83 VAL CB C 32.397 0.000 1 278 84 83 VAL N N 123.103 0.062 1 279 85 84 PHE H H 9.288 0.004 1 280 85 84 PHE C C 175.804 0.000 1 281 85 84 PHE CA C 57.363 0.008 1 282 85 84 PHE CB C 40.375 0.163 1 283 85 84 PHE N N 128.238 0.064 1 284 86 85 ASP H H 8.838 0.005 1 285 86 85 ASP C C 177.407 0.000 1 286 86 85 ASP CA C 55.644 0.006 1 287 86 85 ASP CB C 41.868 0.075 1 288 86 85 ASP N N 121.099 0.052 1 289 87 86 GLY H H 8.763 0.002 1 290 87 86 GLY C C 173.946 0.042 1 291 87 86 GLY CA C 44.318 0.089 1 292 87 86 GLY N N 113.186 0.081 1 293 88 87 LYS H H 7.621 0.002 1 294 88 87 LYS CA C 53.943 0.000 1 295 88 87 LYS CB C 31.378 0.000 1 296 88 87 LYS N N 127.979 0.033 1 297 104 103 ARG C C 178.801 0.000 1 298 104 103 ARG CA C 56.563 0.071 1 299 105 104 ALA H H 7.894 0.006 1 300 105 104 ALA C C 179.390 0.000 1 301 105 104 ALA CA C 53.418 0.028 1 302 105 104 ALA CB C 17.718 0.063 1 303 105 104 ALA N N 123.142 0.054 1 304 106 105 GLU H H 8.130 0.003 1 305 106 105 GLU C C 177.735 0.002 1 306 106 105 GLU CA C 57.523 0.018 1 307 106 105 GLU CB C 28.747 0.019 1 308 106 105 GLU N N 119.612 0.042 1 309 107 106 ALA H H 7.967 0.005 1 310 107 106 ALA C C 179.403 0.014 1 311 107 106 ALA CA C 53.420 0.023 1 312 107 106 ALA CB C 17.780 0.042 1 313 107 106 ALA N N 123.318 0.052 1 314 108 107 GLU H H 8.108 0.004 1 315 108 107 GLU C C 177.858 0.019 1 316 108 107 GLU CA C 57.509 0.015 1 317 108 107 GLU CB C 28.799 0.004 1 318 108 107 GLU N N 119.001 0.056 1 319 109 108 LYS H H 7.855 0.003 1 320 109 108 LYS C C 177.775 0.000 1 321 109 108 LYS CA C 57.398 0.010 1 322 109 108 LYS CB C 31.493 0.043 1 323 109 108 LYS N N 120.959 0.032 1 324 110 109 GLN H H 7.987 0.002 1 325 110 109 GLN C C 177.182 0.012 1 326 110 109 GLN CA C 56.472 0.035 1 327 110 109 GLN CB C 27.833 0.027 1 328 110 109 GLN N N 119.510 0.036 1 329 111 110 LEU H H 7.926 0.002 1 330 111 110 LEU C C 178.067 0.025 1 331 111 110 LEU CA C 55.813 0.011 1 332 111 110 LEU CB C 41.022 0.094 1 333 111 110 LEU N N 122.138 0.048 1 334 112 111 GLN H H 8.066 0.004 1 335 112 111 GLN C C 176.983 0.001 1 336 112 111 GLN CA C 56.389 0.047 1 337 112 111 GLN CB C 28.039 0.105 1 338 112 111 GLN N N 120.004 0.044 1 339 113 112 GLN H H 8.121 0.003 1 340 113 112 GLN C C 176.422 0.000 1 341 113 112 GLN CA C 56.152 0.020 1 342 113 112 GLN CB C 28.329 0.135 1 343 113 112 GLN N N 120.479 0.060 1 344 114 113 ALA H H 8.088 0.003 1 345 114 113 ALA C C 178.212 0.005 1 346 114 113 ALA CA C 52.675 0.016 1 347 114 113 ALA CB C 18.090 0.121 1 348 114 113 ALA N N 124.371 0.067 1 349 115 114 GLN H H 8.132 0.004 1 350 115 114 GLN C C 176.322 0.037 1 351 115 114 GLN CA C 55.658 0.076 1 352 115 114 GLN CB C 28.299 0.019 1 353 115 114 GLN N N 119.044 0.049 1 354 116 115 ALA H H 8.094 0.004 1 355 116 115 ALA C C 177.704 0.036 1 356 116 115 ALA CA C 52.246 0.012 1 357 116 115 ALA CB C 18.212 0.079 1 358 116 115 ALA N N 124.921 0.105 1 359 117 116 ALA H H 8.101 0.002 1 360 117 116 ALA C C 178.405 0.000 1 361 117 116 ALA CA C 52.233 0.002 1 362 117 116 ALA CB C 18.280 0.125 1 363 117 116 ALA N N 123.042 0.062 1 364 118 117 GLY H H 8.216 0.003 1 365 118 117 GLY C C 174.254 0.018 1 366 118 117 GLY CA C 45.047 0.104 1 367 118 117 GLY N N 108.809 0.075 1 368 119 118 ALA H H 8.003 0.003 1 369 119 118 ALA C C 178.052 0.000 1 370 119 118 ALA CA C 52.165 0.010 1 371 119 118 ALA CB C 18.354 0.017 1 372 119 118 ALA N N 123.971 0.026 1 373 120 119 GLU H H 8.417 0.003 1 374 120 119 GLU C C 176.914 0.011 1 375 120 119 GLU CA C 56.792 0.056 1 376 120 119 GLU CB C 28.991 0.039 1 377 120 119 GLU N N 120.234 0.041 1 378 121 120 GLN H H 8.234 0.001 1 379 121 120 GLN C C 176.367 0.019 1 380 121 120 GLN CA C 55.756 0.019 1 381 121 120 GLN CB C 28.490 0.008 1 382 121 120 GLN N N 120.631 0.035 1 383 122 121 GLU H H 8.247 0.003 1 384 122 121 GLU C C 176.905 0.000 1 385 122 121 GLU CA C 56.495 0.024 1 386 122 121 GLU CB C 29.049 0.097 1 387 122 121 GLU N N 122.303 0.027 1 388 123 122 VAL H H 7.999 0.002 1 389 123 122 VAL C C 176.843 0.022 1 390 123 122 VAL CA C 62.747 0.033 1 391 123 122 VAL CB C 31.504 0.063 1 392 123 122 VAL N N 120.903 0.033 1 393 124 123 GLU H H 8.280 0.003 1 394 124 123 GLU C C 177.316 0.000 1 395 124 123 GLU CA C 56.817 0.000 1 396 124 123 GLU CB C 28.959 0.000 1 397 124 123 GLU N N 123.741 0.032 1 398 135 134 LYS C C 177.594 0.003 1 399 135 134 LYS CA C 59.370 0.000 1 400 135 134 LYS CB C 31.543 0.022 1 401 136 135 GLN H H 7.797 0.004 1 402 136 135 GLN C C 178.347 0.021 1 403 136 135 GLN CA C 59.009 0.000 1 404 136 135 GLN CB C 26.704 0.051 1 405 136 135 GLN N N 117.792 0.037 1 406 137 136 HIS H H 7.398 0.005 1 407 137 136 HIS C C 178.989 0.000 1 408 137 136 HIS CA C 60.409 0.064 1 409 137 136 HIS CB C 31.239 0.000 1 410 137 136 HIS N N 118.058 0.052 1 411 138 137 ASN H H 7.704 0.011 1 412 138 137 ASN C C 177.093 0.026 1 413 138 137 ASN CA C 56.569 0.001 1 414 138 137 ASN CB C 38.313 0.134 1 415 138 137 ASN N N 117.371 0.100 1 416 139 138 ASP H H 9.045 0.005 1 417 139 138 ASP C C 180.263 0.007 1 418 139 138 ASP CA C 57.213 0.028 1 419 139 138 ASP CB C 39.092 0.099 1 420 139 138 ASP N N 120.940 0.066 1 421 140 139 GLU H H 8.630 0.005 1 422 140 139 GLU C C 178.761 0.000 1 423 140 139 GLU CA C 59.250 0.053 1 424 140 139 GLU CB C 29.184 0.095 1 425 140 139 GLU N N 120.627 0.063 1 426 141 140 CYS H H 8.102 0.009 1 427 141 140 CYS C C 176.351 0.024 1 428 141 140 CYS CA C 65.079 0.070 1 429 141 140 CYS CB C 26.946 0.052 1 430 141 140 CYS N N 117.205 0.071 1 431 142 141 LYS H H 8.305 0.004 1 432 142 141 LYS C C 177.615 0.025 1 433 142 141 LYS CA C 60.257 0.055 1 434 142 141 LYS CB C 31.441 0.079 1 435 142 141 LYS N N 120.480 0.075 1 436 143 142 HIS H H 7.633 0.003 1 437 143 142 HIS C C 177.411 0.000 1 438 143 142 HIS CA C 58.522 0.073 1 439 143 142 HIS CB C 29.453 0.022 1 440 143 142 HIS N N 119.385 0.068 1 441 144 143 LEU H H 7.937 0.005 1 442 144 143 LEU C C 178.220 0.000 1 443 144 143 LEU CA C 58.081 0.025 1 444 144 143 LEU CB C 41.071 0.000 1 445 144 143 LEU N N 118.479 0.058 1 446 145 144 LEU H H 8.455 0.001 1 447 145 144 LEU C C 179.602 0.000 1 448 145 144 LEU CA C 58.011 0.022 1 449 145 144 LEU CB C 39.474 0.066 1 450 145 144 LEU N N 118.515 0.063 1 451 146 145 SER H H 8.334 0.003 1 452 146 145 SER C C 178.499 0.000 1 453 146 145 SER CA C 61.307 0.049 1 454 146 145 SER CB C 62.269 0.022 1 455 146 145 SER N N 115.160 0.061 1 456 147 146 LEU H H 7.791 0.005 1 457 147 146 LEU C C 178.086 0.000 1 458 147 146 LEU CA C 57.065 0.077 1 459 147 146 LEU CB C 41.304 0.071 1 460 147 146 LEU N N 122.750 0.085 1 461 148 147 MET H H 8.154 0.006 1 462 148 147 MET C C 173.976 0.009 1 463 148 147 MET CA C 57.416 0.046 1 464 148 147 MET CB C 34.993 0.069 1 465 148 147 MET N N 116.383 0.030 1 466 149 148 GLY H H 7.541 0.003 1 467 149 148 GLY C C 173.979 0.003 1 468 149 148 GLY CA C 45.365 0.073 1 469 149 148 GLY N N 106.173 0.065 1 470 150 149 ILE H H 7.977 0.004 1 471 150 149 ILE CA C 54.158 0.000 1 472 150 149 ILE CB C 37.399 0.000 1 473 150 149 ILE N N 122.170 0.058 1 474 151 150 PRO C C 175.381 0.045 1 475 151 150 PRO CA C 62.176 0.023 1 476 151 150 PRO CB C 31.494 0.043 1 477 152 151 TYR H H 7.336 0.004 1 478 152 151 TYR C C 173.913 0.024 1 479 152 151 TYR CA C 54.558 0.046 1 480 152 151 TYR CB C 41.625 0.093 1 481 152 151 TYR N N 112.835 0.039 1 482 153 152 LEU H H 9.094 0.005 1 483 153 152 LEU C C 175.192 0.010 1 484 153 152 LEU CA C 52.461 0.016 1 485 153 152 LEU CB C 46.022 0.053 1 486 153 152 LEU N N 119.364 0.105 1 487 154 153 ASP H H 8.741 0.004 1 488 154 153 ASP C C 174.938 0.020 1 489 154 153 ASP CA C 53.622 0.044 1 490 154 153 ASP CB C 41.074 0.051 1 491 154 153 ASP N N 122.996 0.043 1 492 155 154 ALA H H 8.879 0.003 1 493 155 154 ALA C C 175.697 0.000 1 494 155 154 ALA CA C 49.554 0.000 1 495 155 154 ALA CB C 16.983 0.000 1 496 155 154 ALA N N 127.117 0.054 1 497 156 155 PRO C C 178.238 0.000 1 498 156 155 PRO CA C 63.305 0.000 1 499 156 155 PRO CB C 29.984 0.000 1 500 157 156 SER H H 6.391 0.002 1 501 157 156 SER C C 173.756 0.000 1 502 157 156 SER CA C 55.809 0.014 1 503 157 156 SER CB C 61.603 0.116 1 504 157 156 SER N N 113.519 0.043 1 505 158 157 GLU H H 8.607 0.003 1 506 158 157 GLU C C 179.963 0.000 1 507 158 157 GLU CA C 56.765 0.097 1 508 158 157 GLU CB C 28.146 0.055 1 509 158 157 GLU N N 124.059 0.043 1 510 159 158 ALA H H 10.522 0.007 1 511 159 158 ALA C C 181.022 0.000 1 512 159 158 ALA CA C 55.855 0.000 1 513 159 158 ALA CB C 17.748 0.000 1 514 159 158 ALA N N 134.143 0.065 1 515 161 160 ALA C C 180.163 0.036 1 516 161 160 ALA CA C 54.523 0.035 1 517 161 160 ALA CB C 17.218 0.000 1 518 162 161 SER H H 7.007 0.006 1 519 162 161 SER C C 175.799 0.000 1 520 162 161 SER CA C 64.470 0.078 1 521 162 161 SER CB C 63.347 0.014 1 522 162 161 SER N N 115.744 0.096 1 523 163 162 CYS H H 8.756 0.005 1 524 163 162 CYS C C 175.925 0.017 1 525 163 162 CYS CA C 64.540 0.066 1 526 163 162 CYS CB C 25.653 0.087 1 527 163 162 CYS N N 120.924 0.039 1 528 164 163 ALA H H 7.401 0.003 1 529 164 163 ALA C C 178.649 0.024 1 530 164 163 ALA CA C 54.855 0.021 1 531 164 163 ALA CB C 17.863 0.069 1 532 164 163 ALA N N 119.303 0.039 1 533 165 164 ALA H H 7.705 0.005 1 534 165 164 ALA C C 180.260 0.027 1 535 165 164 ALA CA C 54.827 0.000 1 536 165 164 ALA CB C 16.502 0.186 1 537 165 164 ALA N N 120.250 0.074 1 538 166 165 LEU H H 7.539 0.010 1 539 166 165 LEU C C 178.325 0.000 1 540 166 165 LEU CA C 57.898 0.077 1 541 166 165 LEU CB C 41.653 0.032 1 542 166 165 LEU N N 117.732 0.043 1 543 167 166 VAL H H 7.338 0.006 1 544 167 166 VAL C C 180.992 0.020 1 545 167 166 VAL CA C 64.953 0.024 1 546 167 166 VAL CB C 30.746 0.065 1 547 167 166 VAL N N 121.767 0.056 1 548 168 167 LYS H H 8.626 0.003 1 549 168 167 LYS C C 178.653 0.041 1 550 168 167 LYS CA C 59.419 0.074 1 551 168 167 LYS CB C 32.205 0.000 1 552 168 167 LYS N N 123.491 0.067 1 553 169 168 ALA H H 7.413 0.004 1 554 169 168 ALA C C 177.502 0.057 1 555 169 168 ALA CA C 51.423 0.032 1 556 169 168 ALA CB C 19.310 0.066 1 557 169 168 ALA N N 116.564 0.078 1 558 170 169 GLY H H 8.056 0.007 1 559 170 169 GLY C C 175.130 0.030 1 560 170 169 GLY CA C 45.476 0.080 1 561 170 169 GLY N N 107.611 0.115 1 562 171 170 LYS H H 8.037 0.002 1 563 171 170 LYS C C 176.573 0.000 1 564 171 170 LYS CA C 55.474 0.015 1 565 171 170 LYS CB C 31.731 0.066 1 566 171 170 LYS N N 116.384 0.048 1 567 172 171 VAL H H 6.940 0.004 1 568 172 171 VAL C C 173.805 0.056 1 569 172 171 VAL CA C 57.786 0.001 1 570 172 171 VAL CB C 33.340 0.113 1 571 172 171 VAL N N 104.546 0.047 1 572 173 172 TYR H H 8.615 0.005 1 573 173 172 TYR C C 173.534 0.000 1 574 173 172 TYR CA C 58.720 0.003 1 575 173 172 TYR CB C 39.365 0.020 1 576 173 172 TYR N N 120.631 0.046 1 577 174 173 ALA H H 6.742 0.003 1 578 174 173 ALA C C 174.605 0.034 1 579 174 173 ALA CA C 50.180 0.014 1 580 174 173 ALA CB C 24.038 0.012 1 581 174 173 ALA N N 110.296 0.035 1 582 175 174 ALA H H 6.954 0.004 1 583 175 174 ALA C C 175.341 0.023 1 584 175 174 ALA CA C 49.209 0.025 1 585 175 174 ALA CB C 21.136 0.025 1 586 175 174 ALA N N 121.680 0.032 1 587 176 175 ALA H H 8.988 0.003 1 588 176 175 ALA C C 174.914 0.000 1 589 176 175 ALA CA C 50.382 0.043 1 590 176 175 ALA CB C 20.699 0.000 1 591 176 175 ALA N N 126.369 0.088 1 592 177 176 THR H H 7.551 0.004 1 593 177 176 THR CA C 58.812 0.000 1 594 177 176 THR CB C 67.697 0.000 1 595 177 176 THR N N 116.501 0.085 1 596 184 183 THR C C 175.997 0.000 1 597 185 184 PHE H H 7.759 0.003 1 598 185 184 PHE C C 175.036 0.000 1 599 185 184 PHE CA C 59.722 0.108 1 600 185 184 PHE CB C 39.762 0.062 1 601 185 184 PHE N N 114.895 0.062 1 602 186 185 GLY H H 7.757 0.009 1 603 186 185 GLY C C 174.841 0.010 1 604 186 185 GLY CA C 44.874 0.075 1 605 186 185 GLY N N 106.596 0.099 1 606 187 186 SER H H 8.260 0.003 1 607 187 186 SER C C 174.572 0.000 1 608 187 186 SER CA C 58.570 0.069 1 609 187 186 SER CB C 64.089 0.073 1 610 187 186 SER N N 116.163 0.048 1 611 188 187 ALA H H 7.737 0.006 1 612 188 187 ALA C C 174.568 0.000 1 613 188 187 ALA CA C 54.607 0.009 1 614 188 187 ALA CB C 18.770 0.021 1 615 188 187 ALA N N 127.807 0.087 1 616 189 188 VAL H H 6.589 0.004 1 617 189 188 VAL C C 175.255 0.024 1 618 189 188 VAL CA C 60.063 0.006 1 619 189 188 VAL CB C 34.439 0.134 1 620 189 188 VAL N N 111.856 0.041 1 621 190 189 LEU H H 8.440 0.005 1 622 190 189 LEU C C 175.018 0.021 1 623 190 189 LEU CA C 52.749 0.013 1 624 190 189 LEU CB C 46.015 0.046 1 625 190 189 LEU N N 131.627 0.050 1 626 191 190 MET H H 9.339 0.004 1 627 191 190 MET C C 174.361 0.016 1 628 191 190 MET CA C 54.010 0.028 1 629 191 190 MET CB C 36.247 0.123 1 630 191 190 MET N N 125.227 0.063 1 631 192 191 ARG H H 9.385 0.005 1 632 192 191 ARG C C 175.510 0.000 1 633 192 191 ARG CA C 55.160 0.000 1 634 192 191 ARG CB C 31.592 0.000 1 635 192 191 ARG N N 123.980 0.068 1 636 193 192 HIS H H 9.203 0.009 1 637 193 192 HIS C C 177.507 0.000 1 638 193 192 HIS CA C 55.956 0.000 1 639 193 192 HIS CB C 26.714 0.100 1 640 193 192 HIS N N 112.734 0.044 1 641 194 193 LEU H H 9.107 0.009 1 642 194 193 LEU CA C 57.024 0.000 1 643 194 193 LEU CB C 41.604 0.000 1 644 194 193 LEU N N 124.584 0.028 1 645 195 194 THR C C 173.860 0.000 1 646 195 194 THR CA C 59.925 0.000 1 647 195 194 THR CB C 67.665 0.000 1 648 196 195 ALA H H 6.694 0.002 1 649 196 195 ALA CA C 51.555 0.000 1 650 196 195 ALA CB C 18.873 0.000 1 651 196 195 ALA N N 124.415 0.056 1 652 199 198 ALA C C 178.769 0.070 1 653 199 198 ALA CA C 53.472 0.030 1 654 199 198 ALA CB C 17.700 0.000 1 655 200 199 LYS H H 7.274 0.004 1 656 200 199 LYS C C 175.874 0.078 1 657 200 199 LYS CA C 56.205 0.041 1 658 200 199 LYS CB C 31.449 0.048 1 659 200 199 LYS N N 115.120 0.113 1 660 201 200 LYS H H 7.538 0.004 1 661 201 200 LYS C C 175.870 0.008 1 662 201 200 LYS CA C 56.231 0.016 1 663 201 200 LYS CB C 28.883 0.003 1 664 201 200 LYS N N 115.316 0.038 1 665 202 201 LEU H H 8.440 0.002 1 666 202 201 LEU CA C 52.027 0.000 1 667 202 201 LEU CB C 40.727 0.000 1 668 202 201 LEU N N 121.813 0.050 1 669 203 202 PRO C C 175.416 0.008 1 670 203 202 PRO CA C 62.001 0.002 1 671 203 202 PRO CB C 30.855 0.046 1 672 204 203 ILE H H 8.396 0.002 1 673 204 203 ILE C C 175.988 0.026 1 674 204 203 ILE CA C 59.434 0.032 1 675 204 203 ILE CB C 34.705 0.074 1 676 204 203 ILE N N 120.950 0.035 1 677 205 204 GLN H H 7.787 0.004 1 678 205 204 GLN C C 174.172 0.023 1 679 205 204 GLN CA C 53.820 0.020 1 680 205 204 GLN CB C 31.526 0.068 1 681 205 204 GLN N N 126.116 0.080 1 682 206 205 GLU H H 9.296 0.004 1 683 206 205 GLU C C 174.848 0.010 1 684 206 205 GLU CA C 53.746 0.018 1 685 206 205 GLU CB C 31.973 0.045 1 686 206 205 GLU N N 126.408 0.030 1 687 207 206 PHE H H 9.375 0.003 1 688 207 206 PHE C C 175.645 0.000 1 689 207 206 PHE CA C 56.137 0.020 1 690 207 206 PHE CB C 42.051 0.035 1 691 207 206 PHE N N 122.123 0.044 1 692 208 207 HIS H H 8.548 0.003 1 693 208 207 HIS C C 176.045 0.017 1 694 208 207 HIS CA C 54.818 0.010 1 695 208 207 HIS CB C 31.636 0.044 1 696 208 207 HIS N N 121.630 0.055 1 697 209 208 LEU H H 8.055 0.003 1 698 209 208 LEU C C 177.872 0.000 1 699 209 208 LEU CA C 57.899 0.025 1 700 209 208 LEU CB C 41.927 0.072 1 701 209 208 LEU N N 128.347 0.047 1 702 210 209 SER H H 9.526 0.006 1 703 210 209 SER C C 177.277 0.000 1 704 210 209 SER CA C 61.142 0.089 1 705 210 209 SER N N 112.687 0.044 1 706 211 210 ARG H H 6.797 0.005 1 707 211 210 ARG C C 177.798 0.016 1 708 211 210 ARG CA C 56.641 0.139 1 709 211 210 ARG CB C 28.602 0.047 1 710 211 210 ARG N N 120.474 0.067 1 711 212 211 ILE H H 7.486 0.004 1 712 212 211 ILE C C 176.997 0.006 1 713 212 211 ILE CA C 65.943 0.128 1 714 212 211 ILE CB C 36.980 0.010 1 715 212 211 ILE N N 121.202 0.042 1 716 213 212 LEU H H 7.878 0.005 1 717 213 212 LEU C C 179.926 0.019 1 718 213 212 LEU CA C 58.020 0.027 1 719 213 212 LEU CB C 37.975 0.021 1 720 213 212 LEU N N 116.030 0.068 1 721 214 213 GLN H H 7.766 0.002 1 722 214 213 GLN C C 179.427 0.000 1 723 214 213 GLN CA C 58.442 0.031 1 724 214 213 GLN CB C 28.103 0.054 1 725 214 213 GLN N N 117.230 0.041 1 726 215 214 GLU H H 8.251 0.002 1 727 215 214 GLU C C 179.071 0.000 1 728 215 214 GLU CA C 58.845 0.041 1 729 215 214 GLU CB C 28.767 0.100 1 730 215 214 GLU N N 118.648 0.033 1 731 216 215 LEU H H 7.790 0.003 1 732 216 215 LEU C C 176.722 0.000 1 733 216 215 LEU CA C 54.674 0.162 1 734 216 215 LEU CB C 41.727 0.039 1 735 216 215 LEU N N 114.505 0.044 1 736 217 216 GLY H H 7.649 0.005 1 737 217 216 GLY C C 174.710 0.020 1 738 217 216 GLY CA C 46.468 0.147 1 739 217 216 GLY N N 110.752 0.035 1 740 218 217 LEU H H 7.846 0.003 1 741 218 217 LEU C C 176.150 0.046 1 742 218 217 LEU CA C 52.520 0.019 1 743 218 217 LEU CB C 44.878 0.015 1 744 218 217 LEU N N 117.531 0.036 1 745 219 218 ASN H H 7.491 0.002 1 746 219 218 ASN C C 176.238 0.041 1 747 219 218 ASN CA C 50.126 0.030 1 748 219 218 ASN CB C 38.591 0.043 1 749 219 218 ASN N N 116.104 0.030 1 750 220 219 GLN H H 8.536 0.004 1 751 220 219 GLN C C 177.941 0.000 1 752 220 219 GLN CA C 59.030 0.050 1 753 220 219 GLN CB C 26.710 0.052 1 754 220 219 GLN N N 119.097 0.078 1 755 221 220 GLU H H 8.517 0.003 1 756 221 220 GLU C C 178.530 0.037 1 757 221 220 GLU CA C 60.968 0.030 1 758 221 220 GLU CB C 28.252 0.029 1 759 221 220 GLU N N 118.592 0.045 1 760 222 221 GLN H H 8.203 0.005 1 761 222 221 GLN C C 178.405 0.000 1 762 222 221 GLN CA C 57.771 0.039 1 763 222 221 GLN CB C 28.536 0.011 1 764 222 221 GLN N N 118.681 0.079 1 765 223 222 PHE H H 8.450 0.002 1 766 223 222 PHE C C 177.471 0.000 1 767 223 222 PHE CA C 60.379 0.041 1 768 223 222 PHE CB C 38.673 0.113 1 769 223 222 PHE N N 120.913 0.048 1 770 224 223 VAL H H 8.623 0.007 1 771 224 223 VAL C C 177.216 0.013 1 772 224 223 VAL CA C 67.062 0.019 1 773 224 223 VAL CB C 29.853 0.078 1 774 224 223 VAL N N 122.923 0.106 1 775 225 224 ASP H H 7.330 0.001 1 776 225 224 ASP C C 178.751 0.000 1 777 225 224 ASP CA C 57.145 0.055 1 778 225 224 ASP CB C 40.300 0.068 1 779 225 224 ASP N N 120.152 0.055 1 780 226 225 LEU H H 8.411 0.004 1 781 226 225 LEU C C 177.576 0.011 1 782 226 225 LEU CA C 57.778 0.000 1 783 226 225 LEU CB C 39.705 0.008 1 784 226 225 LEU N N 120.930 0.025 1 785 227 226 CYS H H 7.615 0.004 1 786 227 226 CYS C C 176.263 0.045 1 787 227 226 CYS CA C 63.679 0.043 1 788 227 226 CYS CB C 25.633 0.000 1 789 227 226 CYS N N 116.147 0.127 1 790 228 227 ILE H H 7.837 0.006 1 791 228 227 ILE C C 178.732 0.000 1 792 228 227 ILE CA C 64.608 0.030 1 793 228 227 ILE CB C 36.647 0.091 1 794 228 227 ILE N N 120.741 0.040 1 795 229 228 LEU H H 7.846 0.003 1 796 229 228 LEU C C 179.749 0.000 1 797 229 228 LEU CA C 56.228 0.023 1 798 229 228 LEU CB C 40.901 0.045 1 799 229 228 LEU N N 118.989 0.033 1 800 230 229 LEU H H 8.121 0.004 1 801 230 229 LEU C C 177.489 0.035 1 802 230 229 LEU CA C 56.996 0.014 1 803 230 229 LEU CB C 39.191 0.107 1 804 230 229 LEU N N 121.552 0.089 1 805 231 230 GLY H H 7.237 0.004 1 806 231 230 GLY C C 171.495 0.002 1 807 231 230 GLY CA C 46.051 0.079 1 808 231 230 GLY N N 106.331 0.050 1 809 232 231 SER H H 9.928 0.005 1 810 232 231 SER C C 173.897 0.032 1 811 232 231 SER CA C 57.255 0.016 1 812 232 231 SER CB C 67.787 0.149 1 813 232 231 SER N N 128.824 0.066 1 814 233 232 ASP H H 9.158 0.002 1 815 233 232 ASP C C 177.976 0.000 1 816 233 232 ASP CA C 54.797 0.000 1 817 233 232 ASP CB C 40.161 0.000 1 818 233 232 ASP N N 117.057 0.078 1 819 234 233 TYR H H 7.309 0.003 1 820 234 233 TYR C C 174.767 0.000 1 821 234 233 TYR CA C 60.278 0.000 1 822 234 233 TYR CB C 39.667 0.037 1 823 234 233 TYR N N 113.103 0.057 1 824 235 234 CYS H H 7.174 0.008 1 825 235 234 CYS CA C 55.735 0.000 1 826 235 234 CYS CB C 28.997 0.000 1 827 235 234 CYS N N 108.574 0.050 1 828 236 235 GLU C C 175.360 0.000 1 829 236 235 GLU CA C 57.164 0.000 1 830 236 235 GLU CB C 30.063 0.000 1 831 237 236 SER H H 8.034 0.003 1 832 237 236 SER C C 172.908 0.011 1 833 237 236 SER CA C 56.208 0.028 1 834 237 236 SER CB C 63.680 0.014 1 835 237 236 SER N N 115.226 0.027 1 836 238 237 ILE H H 8.295 0.002 1 837 238 237 ILE C C 176.830 0.013 1 838 238 237 ILE CA C 60.710 0.020 1 839 238 237 ILE CB C 37.143 0.029 1 840 238 237 ILE N N 119.054 0.049 1 841 239 238 ARG H H 8.609 0.004 1 842 239 238 ARG C C 177.096 0.001 1 843 239 238 ARG CA C 57.477 0.025 1 844 239 238 ARG CB C 28.818 0.000 1 845 239 238 ARG N N 131.020 0.015 1 846 240 239 GLY H H 8.590 0.006 1 847 240 239 GLY C C 174.177 0.017 1 848 240 239 GLY CA C 44.874 0.096 1 849 240 239 GLY N N 110.328 0.103 1 850 241 240 ILE H H 7.241 0.002 1 851 241 240 ILE C C 175.299 0.017 1 852 241 240 ILE CA C 59.473 0.019 1 853 241 240 ILE CB C 35.634 0.052 1 854 241 240 ILE N N 120.868 0.025 1 855 242 241 GLY H H 8.295 0.003 1 856 242 241 GLY C C 171.662 0.000 1 857 242 241 GLY CA C 44.266 0.000 1 858 242 241 GLY N N 116.100 0.033 1 859 243 242 PRO C C 177.836 0.009 1 860 243 242 PRO CA C 65.750 0.045 1 861 243 242 PRO CB C 32.001 0.035 1 862 244 243 LYS H H 7.948 0.003 1 863 244 243 LYS C C 179.563 0.018 1 864 244 243 LYS CA C 59.105 0.033 1 865 244 243 LYS CB C 30.426 0.081 1 866 244 243 LYS N N 114.531 0.111 1 867 245 244 ARG H H 7.591 0.005 1 868 245 244 ARG C C 177.563 0.013 1 869 245 244 ARG CA C 57.221 0.025 1 870 245 244 ARG CB C 28.122 0.048 1 871 245 244 ARG N N 121.824 0.074 1 872 246 245 ALA H H 8.512 0.007 1 873 246 245 ALA C C 178.663 0.054 1 874 246 245 ALA CA C 55.380 0.037 1 875 246 245 ALA CB C 16.991 0.000 1 876 246 245 ALA N N 121.919 0.071 1 877 247 246 VAL H H 7.395 0.005 1 878 247 246 VAL C C 176.750 0.021 1 879 247 246 VAL CA C 66.452 0.026 1 880 247 246 VAL CB C 30.557 0.012 1 881 247 246 VAL N N 115.695 0.091 1 882 248 247 ASP H H 7.272 0.003 1 883 248 247 ASP C C 178.637 0.000 1 884 248 247 ASP CA C 57.290 0.044 1 885 248 247 ASP CB C 41.140 0.104 1 886 248 247 ASP N N 119.307 0.066 1 887 249 248 LEU H H 8.496 0.002 1 888 249 248 LEU C C 179.401 0.024 1 889 249 248 LEU CA C 57.278 0.053 1 890 249 248 LEU N N 117.102 0.055 1 891 250 249 ILE H H 8.192 0.004 1 892 250 249 ILE C C 178.824 0.000 1 893 250 249 ILE CA C 60.696 0.000 1 894 250 249 ILE CB C 34.740 0.063 1 895 250 249 ILE N N 121.115 0.039 1 896 251 250 GLN H H 8.522 0.003 1 897 251 250 GLN C C 178.673 0.000 1 898 251 250 GLN CA C 58.970 0.009 1 899 251 250 GLN CB C 27.444 0.000 1 900 251 250 GLN N N 120.890 0.038 1 901 252 251 LYS H H 7.689 0.002 1 902 252 251 LYS C C 178.390 0.016 1 903 252 251 LYS CA C 58.443 0.055 1 904 252 251 LYS CB C 32.229 0.000 1 905 252 251 LYS N N 116.229 0.048 1 906 253 252 HIS H H 8.224 0.003 1 907 253 252 HIS C C 177.642 0.008 1 908 253 252 HIS CA C 56.049 0.071 1 909 253 252 HIS CB C 31.063 0.000 1 910 253 252 HIS N N 114.837 0.067 1 911 254 253 LYS H H 8.052 0.010 1 912 254 253 LYS C C 175.691 0.025 1 913 254 253 LYS CA C 59.792 0.024 1 914 254 253 LYS CB C 29.305 0.089 1 915 254 253 LYS N N 113.908 0.076 1 916 255 254 SER H H 8.011 0.003 1 917 255 254 SER C C 174.587 0.024 1 918 255 254 SER CA C 55.558 0.022 1 919 255 254 SER CB C 66.116 0.077 1 920 255 254 SER N N 112.822 0.033 1 921 256 255 ILE H H 8.366 0.004 1 922 256 255 ILE C C 176.824 0.037 1 923 256 255 ILE CA C 66.038 0.039 1 924 256 255 ILE CB C 36.449 0.140 1 925 256 255 ILE N N 122.259 0.051 1 926 257 256 GLU H H 8.925 0.003 1 927 257 256 GLU C C 178.459 0.000 1 928 257 256 GLU CA C 59.689 0.009 1 929 257 256 GLU CB C 28.912 0.026 1 930 257 256 GLU N N 119.573 0.049 1 931 258 257 GLU H H 7.328 0.004 1 932 258 257 GLU C C 178.481 0.046 1 933 258 257 GLU CA C 57.679 0.006 1 934 258 257 GLU CB C 28.462 0.021 1 935 258 257 GLU N N 117.862 0.039 1 936 259 258 ILE H H 7.789 0.006 1 937 259 258 ILE C C 178.378 0.000 1 938 259 258 ILE CA C 65.803 0.000 1 939 259 258 ILE CB C 37.065 0.000 1 940 259 258 ILE N N 120.961 0.057 1 941 260 259 VAL H H 8.506 0.001 1 942 260 259 VAL C C 178.055 0.000 1 943 260 259 VAL CA C 66.190 0.075 1 944 260 259 VAL CB C 30.588 0.021 1 945 260 259 VAL N N 116.621 0.054 1 946 261 260 ARG H H 7.055 0.007 1 947 261 260 ARG C C 177.633 0.009 1 948 261 260 ARG CA C 58.271 0.112 1 949 261 260 ARG CB C 29.774 0.049 1 950 261 260 ARG N N 117.179 0.060 1 951 262 261 ARG H H 7.327 0.005 1 952 262 261 ARG C C 176.290 0.000 1 953 262 261 ARG CA C 54.817 0.000 1 954 262 261 ARG CB C 29.908 0.027 1 955 262 261 ARG N N 116.388 0.119 1 956 263 262 LEU H H 7.306 0.005 1 957 263 262 LEU C C 176.988 0.032 1 958 263 262 LEU CA C 53.994 0.016 1 959 263 262 LEU CB C 42.122 0.014 1 960 263 262 LEU N N 121.437 0.068 1 961 264 263 ASP H H 8.414 0.003 1 962 264 263 ASP C C 175.691 0.000 1 963 264 263 ASP CA C 51.366 0.000 1 964 264 263 ASP CB C 40.974 0.000 1 965 264 263 ASP N N 124.844 0.030 1 966 265 264 PRO C C 177.515 0.000 1 967 265 264 PRO CA C 63.757 0.000 1 968 265 264 PRO CB C 31.072 0.000 1 969 266 265 ASN H H 8.256 0.003 1 970 266 265 ASN C C 175.861 0.012 1 971 266 265 ASN CA C 54.305 0.037 1 972 266 265 ASN CB C 38.205 0.126 1 973 266 265 ASN N N 115.750 0.040 1 974 267 266 LYS H H 7.339 0.003 1 975 267 266 LYS C C 175.540 0.021 1 976 267 266 LYS CA C 56.469 0.024 1 977 267 266 LYS CB C 33.914 0.016 1 978 267 266 LYS N N 118.861 0.107 1 979 268 267 TYR H H 7.753 0.003 1 980 268 267 TYR CA C 54.110 0.000 1 981 268 267 TYR CB C 38.527 0.000 1 982 268 267 TYR N N 116.942 0.046 1 983 271 270 PRO C C 175.914 0.035 1 984 271 270 PRO CA C 62.576 0.028 1 985 271 270 PRO CB C 30.820 0.016 1 986 272 271 GLU H H 8.376 0.004 1 987 272 271 GLU C C 177.140 0.004 1 988 272 271 GLU CA C 56.634 0.071 1 989 272 271 GLU CB C 29.119 0.000 1 990 272 271 GLU N N 122.666 0.053 1 991 273 272 ASN H H 8.945 0.006 1 992 273 272 ASN CA C 53.245 0.050 1 993 273 272 ASN N N 121.093 0.096 1 994 274 273 TRP H H 7.814 0.013 1 995 274 273 TRP CB C 28.990 0.000 1 996 274 273 TRP N N 118.549 0.107 1 997 277 276 LYS C C 179.429 0.000 1 998 277 276 LYS CA C 58.319 0.000 1 999 278 277 GLU H H 8.806 0.006 1 1000 278 277 GLU C C 179.476 0.006 1 1001 278 277 GLU CA C 59.819 0.054 1 1002 278 277 GLU CB C 26.910 0.000 1 1003 278 277 GLU N N 123.028 0.050 1 1004 279 278 ALA H H 7.808 0.010 1 1005 279 278 ALA C C 177.150 0.000 1 1006 279 278 ALA CA C 54.427 0.019 1 1007 279 278 ALA CB C 18.393 0.025 1 1008 279 278 ALA N N 123.189 0.148 1 1009 280 279 HIS H H 8.309 0.007 1 1010 280 279 HIS C C 176.469 0.007 1 1011 280 279 HIS CA C 59.040 0.020 1 1012 280 279 HIS CB C 28.147 0.084 1 1013 280 279 HIS N N 117.954 0.088 1 1014 281 280 GLN H H 7.600 0.004 1 1015 281 280 GLN C C 177.529 0.000 1 1016 281 280 GLN CA C 58.252 0.027 1 1017 281 280 GLN CB C 27.640 0.050 1 1018 281 280 GLN N N 116.570 0.079 1 1019 282 281 LEU H H 7.476 0.006 1 1020 282 281 LEU CA C 57.755 0.000 1 1021 282 281 LEU N N 121.513 0.094 1 1022 286 285 PRO C C 176.659 0.000 1 1023 286 285 PRO CA C 62.440 0.033 1 1024 286 285 PRO CB C 31.046 0.024 1 1025 287 286 GLU H H 8.515 0.003 1 1026 287 286 GLU C C 176.937 0.023 1 1027 287 286 GLU CA C 56.238 0.001 1 1028 287 286 GLU CB C 28.598 0.078 1 1029 287 286 GLU N N 120.645 0.037 1 1030 288 287 VAL H H 8.593 0.003 1 1031 288 287 VAL C C 175.020 0.019 1 1032 288 287 VAL CA C 58.953 0.006 1 1033 288 287 VAL CB C 36.886 0.016 1 1034 288 287 VAL N N 120.976 0.046 1 1035 289 288 LEU H H 6.937 0.003 1 1036 289 288 LEU C C 174.315 0.016 1 1037 289 288 LEU CA C 53.601 0.017 1 1038 289 288 LEU CB C 40.795 0.029 1 1039 289 288 LEU N N 118.990 0.068 1 1040 290 289 ASP H H 8.276 0.002 1 1041 290 289 ASP C C 176.748 0.000 1 1042 290 289 ASP CA C 50.352 0.000 1 1043 290 289 ASP CB C 40.127 0.000 1 1044 290 289 ASP N N 119.847 0.042 1 1045 291 290 PRO C C 176.955 0.021 1 1046 291 290 PRO CA C 63.890 0.024 1 1047 291 290 PRO CB C 32.309 0.002 1 1048 292 291 GLU H H 7.944 0.003 1 1049 292 291 GLU C C 177.732 0.010 1 1050 292 291 GLU CA C 56.454 0.008 1 1051 292 291 GLU CB C 27.961 0.030 1 1052 292 291 GLU N N 113.928 0.043 1 1053 293 292 SER H H 7.546 0.003 1 1054 293 292 SER C C 174.079 0.059 1 1055 293 292 SER CA C 58.253 0.010 1 1056 293 292 SER CB C 63.908 0.017 1 1057 293 292 SER N N 112.813 0.085 1 1058 294 293 VAL H H 6.775 0.002 1 1059 294 293 VAL C C 174.471 0.016 1 1060 294 293 VAL CA C 60.793 0.023 1 1061 294 293 VAL CB C 32.170 0.047 1 1062 294 293 VAL N N 118.357 0.040 1 1063 295 294 GLU H H 8.424 0.002 1 1064 295 294 GLU C C 175.124 0.006 1 1065 295 294 GLU CA C 54.533 0.043 1 1066 295 294 GLU CB C 29.679 0.008 1 1067 295 294 GLU N N 127.394 0.032 1 1068 296 295 LEU H H 8.465 0.004 1 1069 296 295 LEU C C 174.967 0.016 1 1070 296 295 LEU CA C 53.762 0.032 1 1071 296 295 LEU CB C 41.219 0.048 1 1072 296 295 LEU N N 126.216 0.028 1 1073 297 296 LYS H H 7.169 0.002 1 1074 297 296 LYS C C 173.356 0.010 1 1075 297 296 LYS CA C 54.840 0.005 1 1076 297 296 LYS CB C 34.460 0.024 1 1077 297 296 LYS N N 122.732 0.046 1 1078 298 297 TRP H H 8.731 0.002 1 1079 298 297 TRP C C 176.250 0.021 1 1080 298 297 TRP CA C 58.893 0.012 1 1081 298 297 TRP CB C 30.042 0.016 1 1082 298 297 TRP N N 126.635 0.041 1 1083 299 298 SER H H 9.199 0.003 1 1084 299 298 SER C C 172.813 0.016 1 1085 299 298 SER CA C 56.616 0.008 1 1086 299 298 SER CB C 64.573 0.010 1 1087 299 298 SER N N 120.579 0.037 1 1088 300 299 GLU H H 8.412 0.002 1 1089 300 299 GLU C C 174.761 0.000 1 1090 300 299 GLU CA C 54.484 0.000 1 1091 300 299 GLU CB C 28.443 0.000 1 1092 300 299 GLU N N 121.255 0.041 1 1093 301 300 PRO C C 175.645 0.015 1 1094 301 300 PRO CA C 62.078 0.027 1 1095 301 300 PRO CB C 31.560 0.000 1 1096 302 301 ASN H H 8.519 0.002 1 1097 302 301 ASN C C 174.744 0.000 1 1098 302 301 ASN CA C 50.823 0.037 1 1099 302 301 ASN CB C 36.559 0.015 1 1100 302 301 ASN N N 121.226 0.042 1 1101 303 302 GLU H H 8.304 0.003 1 1102 303 302 GLU C C 177.382 0.016 1 1103 303 302 GLU CA C 61.005 0.015 1 1104 303 302 GLU CB C 29.204 0.036 1 1105 303 302 GLU N N 124.103 0.054 1 1106 304 303 GLU H H 8.736 0.004 1 1107 304 303 GLU C C 180.424 0.014 1 1108 304 303 GLU CA C 59.281 0.032 1 1109 304 303 GLU CB C 27.996 0.012 1 1110 304 303 GLU N N 116.273 0.045 1 1111 305 304 GLU H H 7.520 0.004 1 1112 305 304 GLU C C 179.115 0.000 1 1113 305 304 GLU CA C 57.791 0.016 1 1114 305 304 GLU CB C 28.660 0.028 1 1115 305 304 GLU N N 117.917 0.067 1 1116 306 305 LEU H H 8.496 0.002 1 1117 306 305 LEU C C 178.785 0.000 1 1118 306 305 LEU CA C 58.725 0.029 1 1119 306 305 LEU CB C 40.951 0.000 1 1120 306 305 LEU N N 122.894 0.071 1 1121 307 306 ILE H H 8.055 0.002 1 1122 307 306 ILE C C 178.638 0.062 1 1123 307 306 ILE CA C 63.622 0.029 1 1124 307 306 ILE CB C 35.775 0.020 1 1125 307 306 ILE N N 120.360 0.065 1 1126 308 307 LYS H H 7.755 0.006 1 1127 308 307 LYS C C 178.529 0.000 1 1128 308 307 LYS CA C 60.037 0.048 1 1129 308 307 LYS CB C 31.351 0.077 1 1130 308 307 LYS N N 121.802 0.083 1 1131 309 308 PHE H H 8.042 0.005 1 1132 309 308 PHE C C 176.360 0.008 1 1133 309 308 PHE CA C 59.124 0.076 1 1134 309 308 PHE CB C 39.592 0.045 1 1135 309 308 PHE N N 117.073 0.128 1 1136 310 309 MET H H 8.730 0.003 1 1137 310 309 MET C C 176.336 0.000 1 1138 310 309 MET CA C 56.593 0.012 1 1139 310 309 MET CB C 32.068 0.002 1 1140 310 309 MET N N 114.474 0.032 1 1141 311 310 CYS H H 8.361 0.005 1 1142 311 310 CYS C C 177.130 0.024 1 1143 311 310 CYS CA C 58.812 0.031 1 1144 311 310 CYS CB C 27.503 0.111 1 1145 311 310 CYS N N 116.419 0.057 1 1146 312 311 GLY H H 7.631 0.003 1 1147 312 311 GLY C C 175.159 0.030 1 1148 312 311 GLY CA C 47.353 0.047 1 1149 312 311 GLY N N 109.499 0.079 1 1150 313 312 GLU H H 7.561 0.005 1 1151 313 312 GLU C C 173.764 0.000 1 1152 313 312 GLU CA C 57.967 0.020 1 1153 313 312 GLU CB C 28.692 0.057 1 1154 313 312 GLU N N 118.886 0.061 1 1155 314 313 LYS H H 7.203 0.004 1 1156 314 313 LYS C C 175.619 0.000 1 1157 314 313 LYS CA C 53.658 0.073 1 1158 314 313 LYS CB C 29.897 0.000 1 1159 314 313 LYS N N 113.814 0.022 1 1160 315 314 GLN H H 6.769 0.002 1 1161 315 314 GLN C C 175.872 0.000 1 1162 315 314 GLN CA C 57.209 0.000 1 1163 315 314 GLN CB C 24.728 0.037 1 1164 315 314 GLN N N 109.619 0.031 1 1165 316 315 PHE H H 8.578 0.002 1 1166 316 315 PHE C C 176.798 0.000 1 1167 316 315 PHE CA C 58.471 0.051 1 1168 316 315 PHE CB C 38.505 0.063 1 1169 316 315 PHE N N 118.919 0.035 1 1170 317 316 SER H H 8.724 0.004 1 1171 317 316 SER C C 176.094 0.144 1 1172 317 316 SER CA C 57.473 0.021 1 1173 317 316 SER CB C 62.942 0.080 1 1174 317 316 SER N N 116.680 0.040 1 1175 318 317 GLU H H 8.976 0.005 1 1176 318 317 GLU C C 178.375 0.027 1 1177 318 317 GLU CA C 59.956 0.031 1 1178 318 317 GLU CB C 28.513 0.026 1 1179 318 317 GLU N N 130.679 0.048 1 1180 319 318 GLU H H 8.514 0.002 1 1181 319 318 GLU C C 179.806 0.049 1 1182 319 318 GLU CA C 59.307 0.033 1 1183 319 318 GLU CB C 28.253 0.013 1 1184 319 318 GLU N N 118.916 0.065 1 1185 320 319 ARG H H 7.288 0.002 1 1186 320 319 ARG C C 179.871 0.000 1 1187 320 319 ARG CA C 58.204 0.005 1 1188 320 319 ARG CB C 29.373 0.043 1 1189 320 319 ARG N N 118.140 0.051 1 1190 321 320 ILE H H 7.932 0.006 1 1191 321 320 ILE C C 178.732 0.033 1 1192 321 320 ILE CA C 61.077 0.025 1 1193 321 320 ILE CB C 33.877 0.028 1 1194 321 320 ILE N N 120.421 0.079 1 1195 322 321 ARG H H 9.073 0.004 1 1196 322 321 ARG C C 179.539 0.011 1 1197 322 321 ARG CA C 60.676 0.009 1 1198 322 321 ARG CB C 28.506 0.000 1 1199 322 321 ARG N N 120.176 0.066 1 1200 323 322 SER H H 7.856 0.007 1 1201 323 322 SER C C 177.522 0.000 1 1202 323 322 SER CA C 61.432 0.126 1 1203 323 322 SER N N 113.931 0.085 1 1204 324 323 GLY H H 7.913 0.002 1 1205 324 323 GLY C C 174.655 0.021 1 1206 324 323 GLY CA C 47.362 0.077 1 1207 324 323 GLY N N 109.878 0.059 1 1208 325 324 VAL H H 8.586 0.002 1 1209 325 324 VAL C C 178.190 0.033 1 1210 325 324 VAL CA C 66.444 0.029 1 1211 325 324 VAL CB C 30.254 0.000 1 1212 325 324 VAL N N 121.414 0.024 1 1213 326 325 LYS H H 7.979 0.002 1 1214 326 325 LYS C C 179.505 0.034 1 1215 326 325 LYS CA C 58.813 0.016 1 1216 326 325 LYS CB C 30.782 0.000 1 1217 326 325 LYS N N 120.863 0.010 1 1218 327 326 ARG H H 7.413 0.004 1 1219 327 326 ARG C C 178.994 0.000 1 1220 327 326 ARG CA C 58.813 0.038 1 1221 327 326 ARG CB C 29.976 0.054 1 1222 327 326 ARG N N 118.718 0.048 1 1223 328 327 LEU H H 7.822 0.006 1 1224 328 327 LEU C C 178.805 0.000 1 1225 328 327 LEU CA C 56.506 0.023 1 1226 328 327 LEU CB C 40.849 0.088 1 1227 328 327 LEU N N 119.285 0.032 1 1228 329 328 SER H H 8.313 0.005 1 1229 329 328 SER C C 176.504 0.025 1 1230 329 328 SER CA C 60.318 0.052 1 1231 329 328 SER CB C 62.527 0.104 1 1232 329 328 SER N N 115.431 0.057 1 1233 330 329 LYS H H 8.049 0.005 1 1234 330 329 LYS C C 178.101 0.044 1 1235 330 329 LYS CA C 57.604 0.030 1 1236 330 329 LYS CB C 31.300 0.016 1 1237 330 329 LYS N N 122.049 0.031 1 1238 331 330 SER H H 7.851 0.002 1 1239 331 330 SER C C 174.974 0.000 1 1240 331 330 SER CA C 59.664 0.051 1 1241 331 330 SER CB C 62.771 0.034 1 1242 331 330 SER N N 115.039 0.059 1 1243 332 331 ARG H H 7.665 0.007 1 1244 332 331 ARG C C 176.788 0.000 1 1245 332 331 ARG CA C 56.261 0.000 1 1246 332 331 ARG CB C 29.391 0.000 1 1247 332 331 ARG N N 121.942 0.081 1 1248 336 335 THR C C 174.448 0.000 1 1249 336 335 THR CA C 61.663 0.018 1 1250 336 335 THR CB C 69.200 0.000 1 1251 337 336 LEU H H 8.051 0.003 1 1252 337 336 LEU C C 177.201 0.012 1 1253 337 336 LEU CA C 54.964 0.013 1 1254 337 336 LEU CB C 41.210 0.003 1 1255 337 336 LEU N N 124.213 0.034 1 1256 338 337 GLU H H 8.168 0.003 1 1257 338 337 GLU C C 176.269 0.017 1 1258 338 337 GLU CA C 56.224 0.007 1 1259 338 337 GLU CB C 29.335 0.005 1 1260 338 337 GLU N N 122.046 0.026 1 1261 339 338 VAL H H 7.919 0.003 1 1262 339 338 VAL C C 175.753 0.014 1 1263 339 338 VAL CA C 61.868 0.038 1 1264 339 338 VAL CB C 31.628 0.003 1 1265 339 338 VAL N N 121.539 0.028 1 1266 340 339 LEU H H 8.041 0.003 1 1267 340 339 LEU C C 176.798 0.017 1 1268 340 339 LEU CA C 54.551 0.007 1 1269 340 339 LEU CB C 41.442 0.007 1 1270 340 339 LEU N N 125.558 0.021 1 1271 341 340 PHE H H 8.024 0.003 1 1272 341 340 PHE C C 174.687 0.016 1 1273 341 340 PHE CA C 57.135 0.014 1 1274 341 340 PHE CB C 38.586 0.005 1 1275 341 340 PHE N N 121.013 0.032 1 1276 342 341 GLN H H 7.677 0.003 1 1277 342 341 GLN C C 180.283 0.000 1 1278 342 341 GLN CA C 56.884 0.000 1 1279 342 341 GLN CB C 29.663 0.000 1 1280 342 341 GLN N N 126.401 0.032 1 stop_ save_