data_19055 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; ns5a D2 con1 ; _BMRB_accession_number 19055 _BMRB_flat_file_name bmr19055.str _Entry_type original _Submission_date 2013-02-26 _Accession_date 2013-02-26 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'HCV NS5A protein D2 domain con1 strain' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Badillo Aurelie . . 2 Penin Francois . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 85 "13C chemical shifts" 285 "15N chemical shifts" 85 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-01-30 original BMRB . stop_ _Original_release_date 2013-02-26 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; ns5a D2 con1 ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Badillo Aurelie . . 2 Hanoulle Xavier . . 3 Penin Francois . . stop_ _Journal_abbreviation Biochemistry _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . loop_ _Keyword 'D2 domain' 'Hepatitis C Virus' 'Intrinsically Disordered Protein' NMR 'NS5A protein' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'ns5a d2 con1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'ns5a d2 con1' $ns5a_d2_con1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_ns5a_d2_con1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ns5a_d2_con1 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 96 _Mol_residue_sequence ; DSPDADLIEANLLWRQEMGG NITRVESENKVVILDSFEPL QAEEDEREVSVPAEILRRSR KFPRAMPIWARPDYNPPLLE SWKDPDYVPPVVHGLQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 248 ASP 2 249 SER 3 250 PRO 4 251 ASP 5 252 ALA 6 253 ASP 7 254 LEU 8 255 ILE 9 256 GLU 10 257 ALA 11 258 ASN 12 259 LEU 13 260 LEU 14 261 TRP 15 262 ARG 16 263 GLN 17 264 GLU 18 265 MET 19 266 GLY 20 267 GLY 21 268 ASN 22 269 ILE 23 270 THR 24 271 ARG 25 272 VAL 26 273 GLU 27 274 SER 28 275 GLU 29 276 ASN 30 277 LYS 31 278 VAL 32 279 VAL 33 280 ILE 34 281 LEU 35 282 ASP 36 283 SER 37 284 PHE 38 285 GLU 39 286 PRO 40 287 LEU 41 288 GLN 42 289 ALA 43 290 GLU 44 291 GLU 45 292 ASP 46 293 GLU 47 294 ARG 48 295 GLU 49 296 VAL 50 297 SER 51 298 VAL 52 299 PRO 53 300 ALA 54 301 GLU 55 302 ILE 56 303 LEU 57 304 ARG 58 305 ARG 59 306 SER 60 307 ARG 61 308 LYS 62 309 PHE 63 310 PRO 64 311 ARG 65 312 ALA 66 313 MET 67 314 PRO 68 315 ILE 69 316 TRP 70 317 ALA 71 318 ARG 72 319 PRO 73 320 ASP 74 321 TYR 75 322 ASN 76 323 PRO 77 324 PRO 78 325 LEU 79 326 LEU 80 327 GLU 81 328 SER 82 329 TRP 83 330 LYS 84 331 ASP 85 332 PRO 86 333 ASP 87 334 TYR 88 335 VAL 89 336 PRO 90 337 PRO 91 338 VAL 92 339 VAL 93 340 HIS 94 341 GLY 95 342 LEU 96 343 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 _Strain $ns5a_d2_con1 'Hepatitis C virus' 11103 Viruses . Hepacivirus . 'strain con1 genotype 1b' 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 $ns5a_d2_con1 'recombinant technology' . Escherichia coli . pt7-7 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 $ns5a_d2_con1 0.5 mM '[U-100% 13C; U-100% 15N]' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection 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_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details ; 50mM NaCl 20mM Na phosphate buffer ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 1 mM pH 6.8 0.1 pH pressure 1 . atm temperature 298 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details 'referenced with Sodium DSP' 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 TSP H 1 'methyl protons' ppm 0 internal direct . . . 1 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 . loop_ _Experiment_label '2D 1H-15N HSQC' 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 'ns5a d2 con1' _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 1 248 1 ASP H H 8.3621 0.01 1 2 248 1 ASP C C 180.0925 0.01 1 3 248 1 ASP CA C 54.2417 0.01 1 4 248 1 ASP CB C 41.1394 0.01 1 5 248 1 ASP N N 120.8413 0.01 1 6 249 2 SER H H 8.1503 0.01 1 7 249 2 SER C C 182.9271 0.01 1 8 249 2 SER CA C 56.313 0.01 1 9 249 2 SER CB C 63.712 0.01 1 10 249 2 SER N N 116.2616 0.01 1 11 250 3 PRO C C 179.1368 0.01 1 12 250 3 PRO CA C 63.7231 0.01 1 13 250 3 PRO CB C 31.9892 0.01 1 14 251 4 ASP H H 8.2871 0.01 1 15 251 4 ASP C C 179.5557 0.01 1 16 251 4 ASP CA C 54.5685 0.01 1 17 251 4 ASP CB C 40.9796 0.01 1 18 251 4 ASP N N 119.528 0.01 1 19 252 5 ALA H H 8.1078 0.01 1 20 252 5 ALA C C 177.9087 0.01 1 21 252 5 ALA CA C 53.6254 0.01 1 22 252 5 ALA CB C 19.1922 0.01 1 23 252 5 ALA N N 123.8358 0.01 1 24 253 6 ASP H H 8.3047 0.01 1 25 253 6 ASP C C 179.1953 0.01 1 26 253 6 ASP CA C 55.1159 0.01 1 27 253 6 ASP CB C 40.8317 0.01 1 28 253 6 ASP N N 118.2931 0.01 1 29 254 7 LEU H H 7.9421 0.01 1 30 254 7 LEU C C 178.1872 0.01 1 31 254 7 LEU CA C 55.8724 0.01 1 32 254 7 LEU CB C 42.1565 0.01 1 33 254 7 LEU N N 121.9196 0.01 1 34 255 8 ILE H H 7.9815 0.01 1 35 255 8 ILE C C 178.8283 0.01 1 36 255 8 ILE CA C 62.2921 0.01 1 37 255 8 ILE CB C 38.3828 0.01 1 38 255 8 ILE N N 121.2817 0.01 1 39 256 9 GLU H H 8.3548 0.01 1 40 256 9 GLU C C 178.8297 0.01 1 41 256 9 GLU CA C 57.7313 0.01 1 42 256 9 GLU CB C 29.8121 0.01 1 43 256 9 GLU N N 123.401 0.01 1 44 257 10 ALA H H 8.2006 0.01 1 45 257 10 ALA C C 177.6176 0.01 1 46 257 10 ALA CA C 53.7234 0.01 1 47 257 10 ALA CB C 18.8542 0.01 1 48 257 10 ALA N N 123.295 0.01 1 49 258 11 ASN H H 8.2346 0.01 1 50 258 11 ASN C C 180.0878 0.01 1 51 258 11 ASN CA C 54.0472 0.01 1 52 258 11 ASN CB C 38.6781 0.01 1 53 258 11 ASN N N 116.5395 0.01 1 54 259 12 LEU H H 8.0385 0.01 1 55 259 12 LEU C C 177.8788 0.01 1 56 259 12 LEU CA C 56.3331 0.01 1 57 259 12 LEU CB C 42.0964 0.01 1 58 259 12 LEU N N 121.5579 0.01 1 59 260 13 LEU H H 8.0222 0.01 1 60 260 13 LEU C C 178.1834 0.01 1 61 260 13 LEU CA C 56.2841 0.01 1 62 260 13 LEU CB C 42.0545 0.01 1 63 260 13 LEU N N 120.7783 0.01 1 64 261 14 TRP H H 7.9333 0.01 1 65 261 14 TRP C C 179.35 0.01 1 66 261 14 TRP CA C 58.0958 0.01 1 67 261 14 TRP CB C 29.1906 0.01 1 68 261 14 TRP N N 120.1961 0.01 1 69 262 15 ARG H H 7.8581 0.01 1 70 262 15 ARG C C 179.3433 0.01 1 71 262 15 ARG CA C 56.7802 0.01 1 72 262 15 ARG CB C 30.7479 0.01 1 73 262 15 ARG N N 121.0991 0.01 1 74 263 16 GLN H H 8.18 0.01 1 75 263 16 GLN C C 179.3319 0.01 1 76 263 16 GLN CA C 56.8346 0.01 1 77 263 16 GLN CB C 29.221 0.01 1 78 263 16 GLN N N 120.4321 0.01 1 79 264 17 GLU H H 8.443 0.01 1 80 264 17 GLU C C 178.8973 0.01 1 81 264 17 GLU CA C 57.0929 0.01 1 82 264 17 GLU CB C 29.9365 0.01 1 83 264 17 GLU N N 121.2407 0.01 1 84 265 18 MET H H 8.2888 0.01 1 85 265 18 MET C C 178.8889 0.01 1 86 265 18 MET CA C 55.8386 0.01 1 87 265 18 MET CB C 32.6154 0.01 1 88 265 18 MET N N 120.1206 0.01 1 89 266 19 GLY H H 8.287 0.01 1 90 266 19 GLY C C 181.2771 0.01 1 91 266 19 GLY CA C 45.623 0.01 1 92 266 19 GLY N N 109.1996 0.01 1 93 267 20 GLY H H 8.252 0.01 1 94 267 20 GLY C C 182.009 0.01 1 95 267 20 GLY CA C 45.3625 0.01 1 96 267 20 GLY N N 108.2887 0.01 1 97 268 21 ASN H H 8.3622 0.01 1 98 268 21 ASN C C 180.812 0.01 1 99 268 21 ASN CA C 53.3971 0.01 1 100 268 21 ASN CB C 38.9054 0.01 1 101 268 21 ASN N N 118.6833 0.01 1 102 269 22 ILE H H 8.1173 0.01 1 103 269 22 ILE C C 179.6206 0.01 1 104 269 22 ILE CA C 61.3151 0.01 1 105 269 22 ILE CB C 39.0036 0.01 1 106 269 22 ILE N N 120.7854 0.01 1 107 270 23 THR H H 8.3046 0.01 1 108 270 23 THR C C 181.7613 0.01 1 109 270 23 THR CA C 62.1145 0.01 1 110 270 23 THR CB C 69.8986 0.01 1 111 270 23 THR N N 118.8782 0.01 1 112 271 24 ARG H H 8.3776 0.01 1 113 271 24 ARG C C 179.9533 0.01 1 114 271 24 ARG CA C 56.0322 0.01 1 115 271 24 ARG CB C 31.0019 0.01 1 116 271 24 ARG N N 124.3842 0.01 1 117 272 25 VAL H H 8.2923 0.01 1 118 272 25 VAL C C 179.6143 0.01 1 119 272 25 VAL CA C 62.5372 0.01 1 120 272 25 VAL CB C 32.7242 0.01 1 121 272 25 VAL N N 122.345 0.01 1 122 273 26 GLU H H 8.61 0.01 1 123 273 26 GLU C C 179.3111 0.01 1 124 273 26 GLU CA C 56.8238 0.01 1 125 273 26 GLU CB C 30.2599 0.01 1 126 273 26 GLU N N 124.9619 0.01 1 127 274 27 SER H H 8.3441 0.01 1 128 274 27 SER C C 181.2985 0.01 1 129 274 27 SER CA C 58.6679 0.01 1 130 274 27 SER CB C 63.9276 0.01 1 131 274 27 SER N N 116.488 0.01 1 132 275 28 GLU H H 8.4742 0.01 1 133 275 28 GLU C C 179.7441 0.01 1 134 275 28 GLU CA C 56.9589 0.01 1 135 275 28 GLU CB C 30.1921 0.01 1 136 275 28 GLU N N 122.4562 0.01 1 137 276 29 ASN H H 8.4192 0.01 1 138 276 29 ASN C C 181.1023 0.01 1 139 276 29 ASN CA C 53.3702 0.01 1 140 276 29 ASN CB C 38.8015 0.01 1 141 276 29 ASN N N 119.4324 0.01 1 142 277 30 LYS H H 8.2168 0.01 1 143 277 30 LYS C C 179.7823 0.01 1 144 277 30 LYS CA C 56.2677 0.01 1 145 277 30 LYS CB C 33.0987 0.01 1 146 277 30 LYS N N 121.9168 0.01 1 147 278 31 VAL H H 8.1729 0.01 1 148 278 31 VAL C C 180.1426 0.01 1 149 278 31 VAL CA C 62.5253 0.01 1 150 278 31 VAL CB C 32.5957 0.01 1 151 278 31 VAL N N 122.2704 0.01 1 152 279 32 VAL H H 8.3066 0.01 1 153 279 32 VAL C C 180.4238 0.01 1 154 279 32 VAL CA C 62.2222 0.01 1 155 279 32 VAL CB C 32.9632 0.01 1 156 279 32 VAL N N 125.7005 0.01 1 157 280 33 ILE H H 8.3573 0.01 1 158 280 33 ILE C C 179.9753 0.01 1 159 280 33 ILE CA C 60.6736 0.01 1 160 280 33 ILE CB C 38.4269 0.01 1 161 280 33 ILE N N 126.5333 0.01 1 162 281 34 LEU H H 8.4103 0.01 1 163 281 34 LEU C C 179.1115 0.01 1 164 281 34 LEU CA C 54.9345 0.01 1 165 281 34 LEU CB C 42.5982 0.01 1 166 281 34 LEU N N 127.4953 0.01 1 167 282 35 ASP H H 8.314 0.01 1 168 282 35 ASP C C 179.9847 0.01 1 169 282 35 ASP CA C 54.3725 0.01 1 170 282 35 ASP CB C 41.3664 0.01 1 171 282 35 ASP N N 121.4031 0.01 1 172 283 36 SER H H 8.1028 0.01 1 173 283 36 SER C C 181.9719 0.01 1 174 283 36 SER CA C 58.1417 0.01 1 175 283 36 SER CB C 63.9147 0.01 1 176 283 36 SER N N 115.2898 0.01 1 177 284 37 PHE H H 8.2663 0.01 1 178 284 37 PHE C C 180.7781 0.01 1 179 284 37 PHE CA C 57.6766 0.01 1 180 284 37 PHE CB C 39.7225 0.01 1 181 284 37 PHE N N 122.0794 0.01 1 182 285 38 GLU H H 8.1901 0.01 1 183 285 38 GLU C C 181.964 0.01 1 184 285 38 GLU CA C 54.0741 0.01 1 185 285 38 GLU CB C 30.0677 0.01 1 186 285 38 GLU N N 124.2373 0.01 1 187 286 39 PRO C C 179.08 0.01 1 188 286 39 PRO CA C 63.1365 0.01 1 189 286 39 PRO CB C 32.0585 0.01 1 190 287 40 LEU H H 8.3645 0.01 1 191 287 40 LEU C C 178.5074 0.01 1 192 287 40 LEU CA C 55.3416 0.01 1 193 287 40 LEU CB C 42.3827 0.01 1 194 287 40 LEU N N 122.2044 0.01 1 195 288 41 GLN H H 8.3768 0.01 1 196 288 41 GLN C C 180.4457 0.01 1 197 288 41 GLN CA C 55.6892 0.01 1 198 288 41 GLN CB C 29.5658 0.01 1 199 288 41 GLN N N 121.5271 0.01 1 200 289 42 ALA H H 8.3975 0.01 1 201 289 42 ALA C C 178.1956 0.01 1 202 289 42 ALA CA C 52.5555 0.01 1 203 289 42 ALA CB C 19.4785 0.01 1 204 289 42 ALA N N 125.7079 0.01 1 205 290 43 GLU H H 8.4735 0.01 1 206 290 43 GLU C C 179.172 0.01 1 207 290 43 GLU CA C 56.8313 0.01 1 208 290 43 GLU CB C 30.2859 0.01 1 209 290 43 GLU N N 120.3589 0.01 1 210 291 44 GLU H H 8.4815 0.01 1 211 291 44 GLU C C 179.6694 0.01 1 212 291 44 GLU CA C 56.8514 0.01 1 213 291 44 GLU CB C 30.3441 0.01 1 214 291 44 GLU N N 121.3792 0.01 1 215 292 45 ASP H H 8.3648 0.01 1 216 292 45 ASP C C 179.6341 0.01 1 217 292 45 ASP CA C 54.4878 0.01 1 218 292 45 ASP CB C 41.3845 0.01 1 219 292 45 ASP N N 121.3024 0.01 1 220 293 46 GLU H H 8.4211 0.01 1 221 293 46 GLU C C 179.2647 0.01 1 222 293 46 GLU CA C 56.9301 0.01 1 223 293 46 GLU CB C 30.0012 0.01 1 224 293 46 GLU N N 121.7905 0.01 1 225 294 47 ARG H H 8.2746 0.01 1 226 294 47 ARG C C 179.4051 0.01 1 227 294 47 ARG CA C 56.5768 0.01 1 228 294 47 ARG CB C 30.903 0.01 1 229 294 47 ARG N N 121.2039 0.01 1 230 295 48 GLU H H 8.3646 0.01 1 231 295 48 GLU C C 179.5394 0.01 1 232 295 48 GLU CA C 56.6473 0.01 1 233 295 48 GLU CB C 30.1712 0.01 1 234 295 48 GLU N N 121.1831 0.01 1 235 296 49 VAL H H 8.1171 0.01 1 236 296 49 VAL C C 179.8548 0.01 1 237 296 49 VAL CA C 62.3845 0.01 1 238 296 49 VAL CB C 32.7844 0.01 1 239 296 49 VAL N N 120.4286 0.01 1 240 297 50 SER H H 8.3978 0.01 1 241 297 50 SER C C 181.824 0.01 1 242 297 50 SER CA C 58.2492 0.01 1 243 297 50 SER CB C 63.8981 0.01 1 244 297 50 SER N N 119.2911 0.01 1 245 298 51 VAL H H 8.1177 0.01 1 246 298 51 VAL C C 181.4649 0.01 1 247 298 51 VAL CA C 60.6206 0.01 1 248 298 51 VAL CB C 32.5113 0.01 1 249 298 51 VAL N N 123.1722 0.01 1 250 299 52 PRO C C 178.5053 0.01 1 251 299 52 PRO CA C 64.033 0.01 1 252 299 52 PRO CB C 32.1474 0.01 1 253 300 53 ALA H H 8.4476 0.01 1 254 300 53 ALA C C 176.9239 0.01 1 255 300 53 ALA CA C 54.2134 0.01 1 256 300 53 ALA CB C 18.9002 0.01 1 257 300 53 ALA N N 123.4285 0.01 1 258 301 54 GLU H H 8.5275 0.01 1 259 301 54 GLU C C 178.3132 0.01 1 260 301 54 GLU CA C 58.0524 0.01 1 261 301 54 GLU CB C 29.6393 0.01 1 262 301 54 GLU N N 118.1806 0.01 1 263 302 55 ILE H H 7.7913 0.01 1 264 302 55 ILE C C 178.3225 0.01 1 265 302 55 ILE CA C 62.7346 0.01 1 266 302 55 ILE CB C 37.9177 0.01 1 267 302 55 ILE N N 120.0273 0.01 1 268 303 56 LEU H H 7.9294 0.01 1 269 303 56 LEU C C 177.6214 0.01 1 270 303 56 LEU CA C 56.4967 0.01 1 271 303 56 LEU CB C 42.0402 0.01 1 272 303 56 LEU N N 122.8832 0.01 1 273 304 57 ARG H H 8.1036 0.01 1 274 304 57 ARG C C 178.721 0.01 1 275 304 57 ARG CA C 57.6141 0.01 1 276 304 57 ARG CB C 30.5125 0.01 1 277 304 57 ARG N N 119.6764 0.01 1 278 305 58 ARG H H 8.0577 0.01 1 279 305 58 ARG C C 179.1375 0.01 1 280 305 58 ARG CA C 57.1717 0.01 1 281 305 58 ARG CB C 30.7577 0.01 1 282 305 58 ARG N N 119.8463 0.01 1 283 306 59 SER H H 8.1522 0.01 1 284 306 59 SER C C 181.2878 0.01 1 285 306 59 SER CA C 59.0042 0.01 1 286 306 59 SER CB C 63.9459 0.01 1 287 306 59 SER N N 115.6137 0.01 1 288 307 60 ARG H H 8.1548 0.01 1 289 307 60 ARG C C 179.9737 0.01 1 290 307 60 ARG CA C 56.3754 0.01 1 291 307 60 ARG CB C 30.6531 0.01 1 292 307 60 ARG N N 122.1011 0.01 1 293 308 61 LYS H H 8.1014 0.01 1 294 308 61 LYS C C 180.0846 0.01 1 295 308 61 LYS CA C 55.74 0.01 1 296 308 61 LYS CB C 33.1225 0.01 1 297 308 61 LYS N N 121.1969 0.01 1 298 309 62 PHE H H 8.1313 0.01 1 299 309 62 PHE C C 182.1795 0.01 1 300 309 62 PHE CA C 55.4845 0.01 1 301 309 62 PHE CB C 39.1529 0.01 1 302 309 62 PHE N N 121.0833 0.01 1 303 310 63 PRO C C 179.218 0.01 1 304 310 63 PRO CA C 63.3071 0.01 1 305 310 63 PRO CB C 32.0504 0.01 1 306 311 64 ARG H H 8.3641 0.01 1 307 311 64 ARG C C 180.0311 0.01 1 308 311 64 ARG CA C 56.1946 0.01 1 309 311 64 ARG CB C 30.9571 0.01 1 310 311 64 ARG N N 121.0565 0.01 1 311 312 65 ALA H H 8.2983 0.01 1 312 312 65 ALA C C 178.8044 0.01 1 313 312 65 ALA CA C 52.2125 0.01 1 314 312 65 ALA CB C 19.2947 0.01 1 315 312 65 ALA N N 124.4199 0.01 1 316 313 66 MET H H 8.1832 0.01 1 317 313 66 MET C C 181.9542 0.01 1 318 313 66 MET CA C 53.2023 0.01 1 319 313 66 MET CB C 32.8861 0.01 1 320 313 66 MET N N 121.0629 0.01 1 321 314 67 PRO C C 178.7706 0.01 1 322 314 67 PRO CA C 62.7504 0.01 1 323 314 67 PRO CB C 31.6376 0.01 1 324 315 68 ILE H H 8.2027 0.01 1 325 315 68 ILE C C 179.9982 0.01 1 326 315 68 ILE CA C 62.5478 0.01 1 327 315 68 ILE CB C 38.5091 0.01 1 328 315 68 ILE N N 120.1495 0.01 1 329 316 69 TRP H H 7.3197 0.01 1 330 316 69 TRP C C 180.2096 0.01 1 331 316 69 TRP CA C 56.2479 0.01 1 332 316 69 TRP CB C 29.0917 0.01 1 333 316 69 TRP N N 119.7948 0.01 1 334 317 70 ALA H H 7.626 0.01 1 335 317 70 ALA C C 179.241 0.01 1 336 317 70 ALA CA C 51.9649 0.01 1 337 317 70 ALA CB C 19.408 0.01 1 338 317 70 ALA N N 124.7471 0.01 1 339 318 71 ARG H H 7.8334 0.01 1 340 318 71 ARG C C 181.1311 0.01 1 341 318 71 ARG CA C 54.1978 0.01 1 342 318 71 ARG CB C 30.4577 0.01 1 343 318 71 ARG N N 120.5615 0.01 1 344 319 72 PRO C C 0 0.01 1 345 319 72 PRO CA C 0 0.01 1 346 319 72 PRO CB C 0 0.01 1 347 320 73 ASP H H 8.3304 0.01 1 348 320 73 ASP C C 180.3719 0.01 1 349 320 73 ASP CA C 53.9821 0.01 1 350 320 73 ASP CB C 40.567 0.01 1 351 320 73 ASP N N 117.7366 0.01 1 352 321 74 TYR H H 7.8319 0.01 1 353 321 74 TYR C C 181.1169 0.01 1 354 321 74 TYR CA C 57.9932 0.01 1 355 321 74 TYR CB C 39.0698 0.01 1 356 321 74 TYR N N 120.5223 0.01 1 357 322 75 ASN H H 8.1842 0.01 1 358 322 75 ASN C C 181.2395 0.01 1 359 322 75 ASN CA C 50.8492 0.01 1 360 322 75 ASN CB C 39.3267 0.01 1 361 322 75 ASN N N 123.6414 0.01 1 362 323 76 PRO C C 0 0.01 1 363 323 76 PRO CA C 0 0.01 1 364 323 76 PRO CB C 0 0.01 1 365 324 77 PRO C C 179.2122 0.01 1 366 324 77 PRO CA C 62.9972 0.01 1 367 324 77 PRO CB C 31.8997 0.01 1 368 325 78 LEU H H 8.221 0.01 1 369 325 78 LEU C C 178.6589 0.01 1 370 325 78 LEU CA C 55.3029 0.01 1 371 325 78 LEU CB C 42.3304 0.01 1 372 325 78 LEU N N 122.0589 0.01 1 373 326 79 LEU H H 8.1445 0.01 1 374 326 79 LEU C C 178.6258 0.01 1 375 326 79 LEU CA C 55.2821 0.01 1 376 326 79 LEU CB C 42.4482 0.01 1 377 326 79 LEU N N 122.9326 0.01 1 378 327 80 GLU H H 8.4218 0.01 1 379 327 80 GLU C C 179.2101 0.01 1 380 327 80 GLU CA C 56.76 0.01 1 381 327 80 GLU CB C 29.9164 0.01 1 382 327 80 GLU N N 121.4154 0.01 1 383 328 81 SER H H 8.1791 0.01 1 384 328 81 SER C C 181.6942 0.01 1 385 328 81 SER CA C 59.0469 0.01 1 386 328 81 SER CB C 63.5569 0.01 1 387 328 81 SER N N 116.3671 0.01 1 388 329 82 TRP H H 7.8509 0.01 1 389 329 82 TRP C C 180.1947 0.01 1 390 329 82 TRP CA C 57.5576 0.01 1 391 329 82 TRP CB C 29.0985 0.01 1 392 329 82 TRP N N 121.7455 0.01 1 393 330 83 LYS H H 7.5721 0.01 1 394 330 83 LYS C C 180.6843 0.01 1 395 330 83 LYS CA C 55.7817 0.01 1 396 330 83 LYS CB C 33.3263 0.01 1 397 330 83 LYS N N 122.6474 0.01 1 398 331 84 ASP H H 7.9696 0.01 1 399 331 84 ASP C C 180.6855 0.01 1 400 331 84 ASP CA C 52.2655 0.01 1 401 331 84 ASP CB C 41.4582 0.01 1 402 331 84 ASP N N 122.891 0.01 1 403 332 85 PRO C C 179.0531 0.01 1 404 332 85 PRO CA C 63.9665 0.01 1 405 332 85 PRO CB C 32.1647 0.01 1 406 333 86 ASP H H 8.3894 0.01 1 407 333 86 ASP C C 180.1854 0.01 1 408 333 86 ASP CA C 54.3165 0.01 1 409 333 86 ASP CB C 41.0635 0.01 1 410 333 86 ASP N N 118.2919 0.01 1 411 334 87 TYR H H 7.747 0.01 1 412 334 87 TYR C C 181.1437 0.01 1 413 334 87 TYR CA C 58.7442 0.01 1 414 334 87 TYR CB C 38.988 0.01 1 415 334 87 TYR N N 121.1847 0.01 1 416 335 88 VAL H H 7.6962 0.01 1 417 335 88 VAL C C 183.1667 0.01 1 418 335 88 VAL CA C 58.9237 0.01 1 419 335 88 VAL CB C 33.4689 0.01 1 420 335 88 VAL N N 128.2237 0.01 1 421 336 89 PRO C C 0 0.01 1 422 336 89 PRO CA C 0 0.01 1 423 336 89 PRO CB C 0 0.01 1 424 337 90 PRO C C 179.16 0.01 1 425 337 90 PRO CA C 62.8697 0.01 1 426 337 90 PRO CB C 32.0316 0.01 1 427 338 91 VAL H H 8.1141 0.01 1 428 338 91 VAL C C 179.874 0.01 1 429 338 91 VAL CA C 62.4729 0.01 1 430 338 91 VAL CB C 32.6577 0.01 1 431 338 91 VAL N N 120.438 0.01 1 432 339 92 VAL H H 8.1651 0.01 1 433 339 92 VAL C C 180.1739 0.01 1 434 339 92 VAL CA C 62.1577 0.01 1 435 339 92 VAL CB C 32.8391 0.01 1 436 339 92 VAL N N 124.3566 0.01 1 437 340 93 HIS H H 8.4276 0.01 1 438 340 93 HIS C C 180.1613 0.01 1 439 340 93 HIS CA C 56.3037 0.01 1 440 340 93 HIS CB C 30.8117 0.01 1 441 340 93 HIS N N 123.8125 0.01 1 442 341 94 GLY H H 8.4699 0.01 1 443 341 94 GLY C C 181.8857 0.01 1 444 341 94 GLY CA C 45.3699 0.01 1 445 341 94 GLY N N 110.054 0.01 1 446 342 95 LEU H H 8.1862 0.01 1 447 342 95 LEU C C 178.5115 0.01 1 448 342 95 LEU CA C 55.3864 0.01 1 449 342 95 LEU CB C 42.4094 0.01 1 450 342 95 LEU N N 121.5331 0.01 1 451 343 96 GLN H H 8.4287 0.01 1 452 343 96 GLN C C 180.2975 0.01 1 453 343 96 GLN CA C 55.8778 0.01 1 454 343 96 GLN CB C 29.302 0.01 1 455 343 96 GLN N N 120.588 0.01 1 stop_ save_