data_26725 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; MtRpsA_S4 ; _BMRB_accession_number 26725 _BMRB_flat_file_name bmr26725.str _Entry_type original _Submission_date 2016-01-08 _Accession_date 2016-01-08 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Bruker 850MHz' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Biling Huang . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 559 "13C chemical shifts" 355 "15N chemical shifts" 87 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-09-29 update BMRB 'update entry citation' 2016-02-16 original author 'original release' stop_ _Original_release_date 2016-02-16 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; (1)H, (15)N, (13)C resonance assignments for pyrazinoic acid binding domain of ribosomal protein S1 from Mycobacterium tuberculosis ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27412769 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Huang Biling . . 2 Fu Jinglin . . 3 Guo Chenyun . . 4 Wu Xueji . . 5 Lin Donghai . . 6 Liao Xinli . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume 10 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 321 _Page_last 324 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name MtRpsA_S4 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label MtRpsA_S4 $MtRpsA_S4 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_MtRpsA_S4 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 89 _Mol_residue_sequence ; QEDPWRHFARTHAIGQIVPG KVTKLVPFGAFVRVEEGIEG LVHISELAERHVEVPDQVVA VGDDAMVKVIDIDLERRRIS LSLKQANED ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 280 GLN 2 281 GLU 3 282 ASP 4 283 PRO 5 284 TRP 6 285 ARG 7 286 HIS 8 287 PHE 9 288 ALA 10 289 ARG 11 290 THR 12 291 HIS 13 292 ALA 14 293 ILE 15 294 GLY 16 295 GLN 17 296 ILE 18 297 VAL 19 298 PRO 20 299 GLY 21 300 LYS 22 301 VAL 23 302 THR 24 303 LYS 25 304 LEU 26 305 VAL 27 306 PRO 28 307 PHE 29 308 GLY 30 309 ALA 31 310 PHE 32 311 VAL 33 312 ARG 34 313 VAL 35 314 GLU 36 315 GLU 37 316 GLY 38 317 ILE 39 318 GLU 40 319 GLY 41 320 LEU 42 321 VAL 43 322 HIS 44 323 ILE 45 324 SER 46 325 GLU 47 326 LEU 48 327 ALA 49 328 GLU 50 329 ARG 51 330 HIS 52 331 VAL 53 332 GLU 54 333 VAL 55 334 PRO 56 335 ASP 57 336 GLN 58 337 VAL 59 338 VAL 60 339 ALA 61 340 VAL 62 341 GLY 63 342 ASP 64 343 ASP 65 344 ALA 66 345 MET 67 346 VAL 68 347 LYS 69 348 VAL 70 349 ILE 71 350 ASP 72 351 ILE 73 352 ASP 74 353 LEU 75 354 GLU 76 355 ARG 77 356 ARG 78 357 ARG 79 358 ILE 80 359 SER 81 360 LEU 82 361 SER 83 362 LEU 84 363 LYS 85 364 GLN 86 365 ALA 87 366 ASN 88 367 GLU 89 368 ASP 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 $MtRpsA_S4 'high GC Gram+' 1773 Bacteria . Mycobacterium tuberculosis 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 $MtRpsA_S4 'recombinant technology' . Escherichia coli . pET-22b 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 $MtRpsA_S4 0.6 mM '[U-100% 13C; U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 850 _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_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.3 . 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 water C 13 'methyl carbons' ppm 0 internal direct . . . 1 water H 1 protons ppm 0 internal direct . . . 1 water N 15 nitrogen ppm 0 internal direct . . . 1 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 MtRpsA_S4 _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 1 280 1 GLN H H 6.944 . . 2 280 1 GLN HA H 4.398 . . 3 280 1 GLN HB2 H 2.041 . . 4 280 1 GLN HB3 H 2.360 . . 5 280 1 GLN HG2 H 2.394 . . 6 280 1 GLN HG3 H 2.100 . . 7 280 1 GLN C C 171.967 . . 8 280 1 GLN CA C 53.220 . . 9 280 1 GLN CB C 26.911 . . 10 280 1 GLN CG C 31.046 . . 11 280 1 GLN N N 114.187 . . 12 281 2 GLU H H 8.554 . . 13 281 2 GLU HA H 4.314 . . 14 281 2 GLU HB2 H 1.976 . . 15 281 2 GLU HB3 H 2.546 . . 16 281 2 GLU HG2 H 1.964 . . 17 281 2 GLU HG3 H 1.285 . . 18 281 2 GLU HE2 H 4.813 . . 19 281 2 GLU C C 172.161 . . 20 281 2 GLU CA C 53.509 . . 21 281 2 GLU CB C 28.250 . . 22 281 2 GLU CG C 33.590 . . 23 281 2 GLU N N 124.142 . . 24 282 3 ASP H H 8.650 . . 25 282 3 ASP HA H 4.915 . . 26 282 3 ASP HB2 H 2.957 . . 27 282 3 ASP HB3 H 2.831 . . 28 282 3 ASP HD2 H 4.136 . . 29 282 3 ASP C C 171.864 . . 30 282 3 ASP CA C 49.841 . . 31 282 3 ASP CB C 39.583 . . 32 282 3 ASP N N 125.358 . . 33 283 4 PRO HA H 4.646 . . 34 283 4 PRO HB2 H 3.161 . . 35 283 4 PRO HB3 H 3.068 . . 36 283 4 PRO HG2 H 3.141 . . 37 283 4 PRO HG3 H 3.068 . . 38 283 4 PRO HD2 H 2.411 . . 39 283 4 PRO HD3 H 2.325 . . 40 283 4 PRO C C 170.273 . . 41 283 4 PRO CA C 53.175 . . 42 283 4 PRO CB C 27.062 . . 43 283 4 PRO CG C 27.212 . . 44 284 5 TRP H H 8.222 . . 45 284 5 TRP HA H 4.466 . . 46 284 5 TRP HB2 H 3.185 . . 47 284 5 TRP HB3 H 4.747 . . 48 284 5 TRP HD1 H 7.293 . . 49 284 5 TRP HE1 H 10.163 . . 50 284 5 TRP HE3 H 7.433 . . 51 284 5 TRP HZ2 H 7.099 . . 52 284 5 TRP C C 175.544 . . 53 284 5 TRP CA C 54.540 . . 54 284 5 TRP CB C 27.291 . . 55 284 5 TRP N N 125.414 . . 56 284 5 TRP NE1 N 129.274 . . 57 285 6 ARG HA H 4.066 . . 58 285 6 ARG HB2 H 2.052 . . 59 285 6 ARG HB3 H 2.887 . . 60 285 6 ARG HG2 H 1.939 . . 61 285 6 ARG HG3 H 1.767 . . 62 285 6 ARG HD2 H 3.372 . . 63 285 6 ARG HD3 H 3.227 . . 64 285 6 ARG HH11 H 8.633 . . 65 285 6 ARG HH12 H 8.569 . . 66 285 6 ARG C C 176.022 . . 67 285 6 ARG CA C 57.114 . . 68 285 6 ARG CB C 27.035 . . 69 285 6 ARG CG C 25.904 . . 70 285 6 ARG CD C 40.650 . . 71 286 7 HIS H H 8.585 . . 72 286 7 HIS HA H 4.223 . . 73 286 7 HIS HB2 H 3.226 . . 74 286 7 HIS HB3 H 3.179 . . 75 286 7 HIS HD1 H 7.931 . . 76 286 7 HIS HD2 H 8.150 . . 77 286 7 HIS HE1 H 7.224 . . 78 286 7 HIS C C 174.494 . . 79 286 7 HIS CA C 57.411 . . 80 286 7 HIS CB C 26.557 . . 81 286 7 HIS N N 117.966 . . 82 287 8 PHE H H 8.541 . . 83 287 8 PHE HA H 3.948 . . 84 287 8 PHE HB2 H 3.009 . . 85 287 8 PHE HB3 H 3.053 . . 86 287 8 PHE HD1 H 6.808 . . 87 287 8 PHE HD2 H 6.797 . . 88 287 8 PHE HE2 H 6.693 . . 89 287 8 PHE HZ H 6.550 . . 90 287 8 PHE C C 175.110 . . 91 287 8 PHE CA C 59.709 . . 92 287 8 PHE CB C 36.357 . . 93 287 8 PHE N N 121.921 . . 94 288 9 ALA H H 8.520 . . 95 288 9 ALA HA H 4.049 . . 96 288 9 ALA HB H 1.614 . . 97 288 9 ALA C C 174.442 . . 98 288 9 ALA CA C 52.066 . . 99 288 9 ALA CB C 16.270 . . 100 288 9 ALA N N 121.248 . . 101 289 10 ARG H H 7.815 . . 102 289 10 ARG HA H 4.318 . . 103 289 10 ARG HB2 H 1.905 . . 104 289 10 ARG HB3 H 1.573 . . 105 289 10 ARG HG2 H 1.813 . . 106 289 10 ARG HG3 H 0.875 . . 107 289 10 ARG HD2 H 3.671 . . 108 289 10 ARG HD3 H 3.148 . . 109 289 10 ARG HE H 8.153 . . 110 289 10 ARG HH11 H 7.204 . . 111 289 10 ARG C C 174.003 . . 112 289 10 ARG CA C 55.060 . . 113 289 10 ARG CB C 27.715 . . 114 289 10 ARG CG C 24.920 . . 115 289 10 ARG CD C 40.665 . . 116 289 10 ARG N N 113.975 . . 117 290 11 THR H H 7.207 . . 118 290 11 THR HA H 4.243 . . 119 290 11 THR HB H 4.000 . . 120 290 11 THR HG1 H 4.189 . . 121 290 11 THR HG2 H 0.838 . . 122 290 11 THR C C 170.354 . . 123 290 11 THR CA C 58.575 . . 124 290 11 THR CB C 67.781 . . 125 290 11 THR CG2 C 18.668 . . 126 290 11 THR N N 105.803 . . 127 291 12 HIS H H 7.242 . . 128 291 12 HIS HA H 4.860 . . 129 291 12 HIS HB2 H 1.928 . . 130 291 12 HIS HB3 H 2.445 . . 131 291 12 HIS HD1 H 7.806 . . 132 291 12 HIS HE1 H 8.418 . . 133 291 12 HIS C C 167.873 . . 134 291 12 HIS CA C 52.151 . . 135 291 12 HIS CB C 27.600 . . 136 291 12 HIS N N 118.534 . . 137 292 13 ALA H H 7.902 . . 138 292 13 ALA HA H 4.587 . . 139 292 13 ALA HB H 1.305 . . 140 292 13 ALA C C 173.801 . . 141 292 13 ALA CA C 47.586 . . 142 292 13 ALA CB C 18.747 . . 143 292 13 ALA N N 121.550 . . 144 293 14 ILE H H 8.425 . . 145 293 14 ILE HA H 3.574 . . 146 293 14 ILE HB H 1.840 . . 147 293 14 ILE HG12 H 1.219 . . 148 293 14 ILE HG13 H 1.714 . . 149 293 14 ILE HG2 H 0.948 . . 150 293 14 ILE HD1 H 1.016 . . 151 293 14 ILE C C 173.978 . . 152 293 14 ILE CA C 60.566 . . 153 293 14 ILE CB C 33.868 . . 154 293 14 ILE CG1 C 25.847 . . 155 293 14 ILE CG2 C 15.108 . . 156 293 14 ILE CD1 C 9.787 . . 157 293 14 ILE N N 119.802 . . 158 294 15 GLY H H 9.326 . . 159 294 15 GLY HA2 H 4.518 . . 160 294 15 GLY HA3 H 3.429 . . 161 294 15 GLY C C 171.267 . . 162 294 15 GLY CA C 42.057 . . 163 294 15 GLY N N 117.181 . . 164 295 16 GLN H H 7.904 . . 165 295 16 GLN HA H 4.258 . . 166 295 16 GLN HB2 H 2.040 . . 167 295 16 GLN HB3 H 2.276 . . 168 295 16 GLN HG2 H 2.449 . . 169 295 16 GLN HG3 H 2.552 . . 170 295 16 GLN HE21 H 7.636 . . 171 295 16 GLN HE22 H 7.027 . . 172 295 16 GLN C C 171.769 . . 173 295 16 GLN CA C 53.789 . . 174 295 16 GLN CB C 27.576 . . 175 295 16 GLN CG C 31.668 . . 176 295 16 GLN N N 121.526 . . 177 295 16 GLN NE2 N 111.230 . . 178 296 17 ILE H H 8.600 . . 179 296 17 ILE HA H 4.958 . . 180 296 17 ILE HB H 1.769 . . 181 296 17 ILE HG13 H 0.813 . . 182 296 17 ILE HG2 H 0.790 . . 183 296 17 ILE HD1 H 0.986 . . 184 296 17 ILE C C 172.808 . . 185 296 17 ILE CA C 57.542 . . 186 296 17 ILE CB C 35.422 . . 187 296 17 ILE CG1 C 25.708 . . 188 296 17 ILE CG2 C 15.774 . . 189 296 17 ILE CD1 C 10.788 . . 190 296 17 ILE N N 124.405 . . 191 297 18 VAL H H 9.416 . . 192 297 18 VAL HA H 5.076 . . 193 297 18 VAL HB H 2.456 . . 194 297 18 VAL HG1 H 0.923 . . 195 297 18 VAL HG2 H 0.756 . . 196 297 18 VAL C C 168.781 . . 197 297 18 VAL CA C 54.352 . . 198 297 18 VAL CB C 30.845 . . 199 297 18 VAL N N 122.005 . . 200 298 19 PRO HA H 5.229 . . 201 298 19 PRO HB2 H 2.285 . . 202 298 19 PRO HB3 H 2.014 . . 203 298 19 PRO HG2 H 2.139 . . 204 298 19 PRO HG3 H 2.421 . . 205 298 19 PRO HD2 H 3.814 . . 206 298 19 PRO HD3 H 3.809 . . 207 298 19 PRO C C 173.853 . . 208 298 19 PRO CA C 59.822 . . 209 298 19 PRO CB C 29.866 . . 210 298 19 PRO CG C 24.989 . . 211 298 19 PRO CD C 47.929 . . 212 299 20 GLY H H 8.709 . . 213 299 20 GLY HA2 H 3.335 . . 214 299 20 GLY HA3 H 4.845 . . 215 299 20 GLY C C 168.624 . . 216 299 20 GLY CA C 42.326 . . 217 299 20 GLY N N 107.666 . . 218 300 21 LYS H H 7.992 . . 219 300 21 LYS HA H 5.334 . . 220 300 21 LYS HB2 H 1.669 . . 221 300 21 LYS HB3 H 1.610 . . 222 300 21 LYS HG2 H 1.330 . . 223 300 21 LYS HG3 H 1.307 . . 224 300 21 LYS HD2 H 1.559 . . 225 300 21 LYS HD3 H 1.642 . . 226 300 21 LYS HE2 H 2.977 . . 227 300 21 LYS HZ H 8.936 . . 228 300 21 LYS C C 172.187 . . 229 300 21 LYS CA C 50.990 . . 230 300 21 LYS CB C 33.530 . . 231 300 21 LYS CG C 21.432 . . 232 300 21 LYS CD C 26.322 . . 233 300 21 LYS N N 120.901 . . 234 301 22 VAL H H 9.139 . . 235 301 22 VAL HA H 4.350 . . 236 301 22 VAL HB H 2.382 . . 237 301 22 VAL HG1 H 0.762 . . 238 301 22 VAL HG2 H 0.822 . . 239 301 22 VAL C C 174.329 . . 240 301 22 VAL CA C 60.932 . . 241 301 22 VAL CB C 28.510 . . 242 301 22 VAL CG1 C 18.475 . . 243 301 22 VAL CG2 C 18.747 . . 244 301 22 VAL N N 126.576 . . 245 302 23 THR H H 9.253 . . 246 302 23 THR HA H 4.507 . . 247 302 23 THR HB H 4.158 . . 248 302 23 THR HG1 H 6.898 . . 249 302 23 THR HG2 H 1.181 . . 250 302 23 THR C C 172.262 . . 251 302 23 THR CA C 59.742 . . 252 302 23 THR CB C 66.783 . . 253 302 23 THR CG2 C 21.506 . . 254 302 23 THR N N 121.267 . . 255 303 24 LYS H H 7.310 . . 256 303 24 LYS HA H 4.425 . . 257 303 24 LYS HB2 H 1.729 . . 258 303 24 LYS HB3 H 1.944 . . 259 303 24 LYS HG2 H 1.427 . . 260 303 24 LYS HG3 H 1.070 . . 261 303 24 LYS HD2 H 1.469 . . 262 303 24 LYS HD3 H 1.449 . . 263 303 24 LYS HE2 H 2.954 . . 264 303 24 LYS HE3 H 2.745 . . 265 303 24 LYS HZ H 9.333 . . 266 303 24 LYS C C 169.711 . . 267 303 24 LYS CA C 54.276 . . 268 303 24 LYS CB C 33.264 . . 269 303 24 LYS CG C 22.150 . . 270 303 24 LYS CD C 26.668 . . 271 303 24 LYS CE C 39.422 . . 272 303 24 LYS N N 120.712 . . 273 304 25 LEU H H 8.996 . . 274 304 25 LEU HA H 4.891 . . 275 304 25 LEU HB2 H 1.397 . . 276 304 25 LEU HB3 H 1.778 . . 277 304 25 LEU HG H 2.432 . . 278 304 25 LEU HD1 H 0.889 . . 279 304 25 LEU HD2 H 0.714 . . 280 304 25 LEU C C 172.064 . . 281 304 25 LEU CA C 51.516 . . 282 304 25 LEU CB C 39.877 . . 283 304 25 LEU CG C 25.163 . . 284 304 25 LEU CD1 C 22.888 . . 285 304 25 LEU CD2 C 21.554 . . 286 304 25 LEU N N 126.630 . . 287 305 26 VAL H H 8.362 . . 288 305 26 VAL HA H 4.768 . . 289 305 26 VAL HB H 2.069 . . 290 305 26 VAL HG1 H 0.957 . . 291 305 26 VAL HG2 H -0.065 . . 292 305 26 VAL C C 171.403 . . 293 305 26 VAL CA C 56.013 . . 294 305 26 VAL CB C 30.260 . . 295 305 26 VAL CG1 C 20.417 . . 296 305 26 VAL CG2 C 15.013 . . 297 305 26 VAL N N 116.256 . . 298 306 27 PRO HB3 H 3.509 . . 299 306 27 PRO HG2 H 1.204 . . 300 306 27 PRO HD2 H 4.215 . . 301 306 27 PRO HD3 H 3.663 . . 302 307 28 PHE HA H 4.676 . . 303 307 28 PHE HB2 H 3.043 . . 304 307 28 PHE HB3 H 3.514 . . 305 307 28 PHE HD1 H 6.894 . . 306 307 28 PHE HD2 H 7.182 . . 307 307 28 PHE HE1 H 7.625 . . 308 307 28 PHE HE2 H 8.495 . . 309 307 28 PHE HZ H 6.569 . . 310 307 28 PHE C C 171.772 . . 311 307 28 PHE CA C 52.145 . . 312 307 28 PHE CB C 35.260 . . 313 308 29 GLY H H 7.640 . . 314 308 29 GLY HA2 H 3.308 . . 315 308 29 GLY HA3 H 4.687 . . 316 308 29 GLY C C 165.183 . . 317 308 29 GLY CA C 43.405 . . 318 308 29 GLY N N 109.041 . . 319 309 30 ALA H H 8.552 . . 320 309 30 ALA HA H 5.119 . . 321 309 30 ALA HB H 1.073 . . 322 309 30 ALA C C 172.034 . . 323 309 30 ALA CA C 47.208 . . 324 309 30 ALA CB C 19.999 . . 325 309 30 ALA N N 120.433 . . 326 310 31 PHE H H 9.253 . . 327 310 31 PHE HA H 5.183 . . 328 310 31 PHE HB2 H 2.813 . . 329 310 31 PHE HB3 H 2.924 . . 330 310 31 PHE HD1 H 6.915 . . 331 310 31 PHE HD2 H 8.624 . . 332 310 31 PHE HE1 H 9.228 . . 333 310 31 PHE HE2 H 7.333 . . 334 310 31 PHE HZ H 6.888 . . 335 310 31 PHE C C 172.461 . . 336 310 31 PHE CA C 55.660 . . 337 310 31 PHE CB C 37.962 . . 338 310 31 PHE N N 122.169 . . 339 311 32 VAL H H 9.032 . . 340 311 32 VAL HA H 4.707 . . 341 311 32 VAL HB H 1.644 . . 342 311 32 VAL HG1 H 0.632 . . 343 311 32 VAL HG2 H 0.563 . . 344 311 32 VAL C C 171.219 . . 345 311 32 VAL CA C 57.613 . . 346 311 32 VAL CB C 32.582 . . 347 311 32 VAL CG1 C 18.838 . . 348 311 32 VAL CG2 C 18.688 . . 349 311 32 VAL N N 121.020 . . 350 312 33 ARG H H 9.402 . . 351 312 33 ARG HA H 4.779 . . 352 312 33 ARG HB2 H 1.709 . . 353 312 33 ARG HB3 H 1.869 . . 354 312 33 ARG HG2 H 1.519 . . 355 312 33 ARG HG3 H 1.318 . . 356 312 33 ARG HD2 H 3.099 . . 357 312 33 ARG HD3 H 3.131 . . 358 312 33 ARG HE H 7.839 . . 359 312 33 ARG HH11 H 8.205 . . 360 312 33 ARG HH21 H 8.705 . . 361 312 33 ARG HH22 H 7.674 . . 362 312 33 ARG C C 173.380 . . 363 312 33 ARG CA C 53.042 . . 364 312 33 ARG CB C 29.214 . . 365 312 33 ARG CG C 24.598 . . 366 312 33 ARG CD C 41.040 . . 367 312 33 ARG N N 128.490 . . 368 313 34 VAL H H 8.478 . . 369 313 34 VAL HA H 4.733 . . 370 313 34 VAL HB H 2.216 . . 371 313 34 VAL HG1 H 0.677 . . 372 313 34 VAL HG2 H 0.310 . . 373 313 34 VAL CA C 58.301 . . 374 313 34 VAL CB C 29.747 . . 375 313 34 VAL CG1 C 20.250 . . 376 313 34 VAL CG2 C 16.638 . . 377 313 34 VAL N N 120.839 . . 378 314 35 GLU H H 8.185 . . 379 314 35 GLU HA H 4.290 . . 380 314 35 GLU HB2 H 1.914 . . 381 314 35 GLU HB3 H 1.860 . . 382 314 35 GLU HG2 H 2.496 . . 383 314 35 GLU HG3 H 2.556 . . 384 314 35 GLU HE2 H 3.100 . . 385 314 35 GLU C C 171.367 . . 386 314 35 GLU CA C 53.146 . . 387 314 35 GLU CB C 30.434 . . 388 314 35 GLU CG C 34.469 . . 389 314 35 GLU N N 121.818 . . 390 315 36 GLU H H 9.222 . . 391 315 36 GLU HA H 3.931 . . 392 315 36 GLU HB2 H 2.004 . . 393 315 36 GLU HB3 H 2.523 . . 394 315 36 GLU HG2 H 2.242 . . 395 315 36 GLU HG3 H 2.341 . . 396 315 36 GLU HE2 H 4.811 . . 397 315 36 GLU C C 173.721 . . 398 315 36 GLU CA C 56.351 . . 399 315 36 GLU CB C 25.982 . . 400 315 36 GLU CG C 33.107 . . 401 315 36 GLU N N 122.406 . . 402 316 37 GLY H H 8.655 . . 403 316 37 GLY HA2 H 3.752 . . 404 316 37 GLY HA3 H 4.134 . . 405 316 37 GLY C C 170.354 . . 406 316 37 GLY CA C 42.846 . . 407 316 37 GLY N N 113.443 . . 408 317 38 ILE H H 7.938 . . 409 317 38 ILE HA H 3.981 . . 410 317 38 ILE HB H 1.165 . . 411 317 38 ILE HG12 H 0.697 . . 412 317 38 ILE HG13 H 0.248 . . 413 317 38 ILE HG2 H -0.424 . . 414 317 38 ILE HD1 H -0.370 . . 415 317 38 ILE C C 170.049 . . 416 317 38 ILE CA C 57.478 . . 417 317 38 ILE CB C 35.002 . . 418 317 38 ILE CG1 C 22.200 . . 419 317 38 ILE CG2 C 13.881 . . 420 317 38 ILE CD1 C 8.233 . . 421 317 38 ILE N N 120.597 . . 422 318 39 GLU H H 8.287 . . 423 318 39 GLU HA H 5.336 . . 424 318 39 GLU HB2 H 1.947 . . 425 318 39 GLU HB3 H 2.009 . . 426 318 39 GLU HG2 H 2.070 . . 427 318 39 GLU HG3 H 1.670 . . 428 318 39 GLU C C 172.635 . . 429 318 39 GLU CA C 51.244 . . 430 318 39 GLU CB C 30.583 . . 431 318 39 GLU CG C 33.888 . . 432 318 39 GLU N N 125.911 . . 433 319 40 GLY H H 8.762 . . 434 319 40 GLY HA2 H 3.405 . . 435 319 40 GLY HA3 H 4.946 . . 436 319 40 GLY C C 167.117 . . 437 319 40 GLY CA C 41.720 . . 438 319 40 GLY N N 108.028 . . 439 320 41 LEU H H 8.262 . . 440 320 41 LEU HA H 4.352 . . 441 320 41 LEU HB2 H 1.803 . . 442 320 41 LEU HB3 H 1.091 . . 443 320 41 LEU HG H 1.597 . . 444 320 41 LEU HD1 H 0.848 . . 445 320 41 LEU HD2 H 1.037 . . 446 320 41 LEU C C 172.958 . . 447 320 41 LEU CA C 51.560 . . 448 320 41 LEU CB C 41.706 . . 449 320 41 LEU CG C 18.808 . . 450 320 41 LEU CD1 C 23.159 . . 451 320 41 LEU N N 121.958 . . 452 321 42 VAL H H 9.242 . . 453 321 42 VAL HA H 4.530 . . 454 321 42 VAL HB H 2.122 . . 455 321 42 VAL HG1 H 0.734 . . 456 321 42 VAL HG2 H 0.722 . . 457 321 42 VAL C C 171.168 . . 458 321 42 VAL CA C 57.340 . . 459 321 42 VAL CB C 29.108 . . 460 321 42 VAL CG1 C 20.815 . . 461 321 42 VAL CG2 C 21.441 . . 462 321 42 VAL N N 128.053 . . 463 322 43 HIS H H 9.232 . . 464 322 43 HIS HA H 4.559 . . 465 322 43 HIS HB2 H 2.937 . . 466 322 43 HIS HB3 H 3.329 . . 467 322 43 HIS HD1 H 8.595 . . 468 322 43 HIS HD2 H 7.812 . . 469 322 43 HIS HE1 H 8.686 . . 470 322 43 HIS HE2 H 8.027 . . 471 322 43 HIS C C 173.342 . . 472 322 43 HIS CA C 56.209 . . 473 322 43 HIS CB C 28.753 . . 474 322 43 HIS N N 127.276 . . 475 322 43 HIS ND1 N 124.084 . . 476 323 44 ILE H H 7.743 . . 477 323 44 ILE HA H 3.794 . . 478 323 44 ILE HB H 1.284 . . 479 323 44 ILE HG12 H 1.064 . . 480 323 44 ILE HG13 H 1.264 . . 481 323 44 ILE HG2 H 0.731 . . 482 323 44 ILE HD1 H 0.707 . . 483 323 44 ILE C C 172.958 . . 484 323 44 ILE CA C 61.322 . . 485 323 44 ILE CB C 36.270 . . 486 323 44 ILE CG1 C 25.587 . . 487 323 44 ILE CG2 C 13.333 . . 488 323 44 ILE N N 125.785 . . 489 324 45 SER H H 8.709 . . 490 324 45 SER HA H 4.175 . . 491 324 45 SER HB2 H 3.014 . . 492 324 45 SER HB3 H 2.931 . . 493 324 45 SER HG H 4.434 . . 494 324 45 SER C C 171.814 . . 495 324 45 SER CA C 58.246 . . 496 324 45 SER CB C 60.602 . . 497 324 45 SER N N 118.981 . . 498 325 46 GLU H H 8.444 . . 499 325 46 GLU HA H 4.511 . . 500 325 46 GLU HB2 H 2.147 . . 501 325 46 GLU HB3 H 2.747 . . 502 325 46 GLU HG2 H 2.018 . . 503 325 46 GLU HG3 H 3.319 . . 504 325 46 GLU HE2 H 7.134 . . 505 325 46 GLU C C 171.541 . . 506 325 46 GLU CA C 52.743 . . 507 325 46 GLU CB C 27.163 . . 508 325 46 GLU CG C 32.195 . . 509 325 46 GLU N N 119.576 . . 510 326 47 LEU H H 7.782 . . 511 326 47 LEU HA H 4.285 . . 512 326 47 LEU HB2 H 1.462 . . 513 326 47 LEU HB3 H 1.883 . . 514 326 47 LEU HG H 1.377 . . 515 326 47 LEU HD1 H 0.715 . . 516 326 47 LEU HD2 H 0.829 . . 517 326 47 LEU C C 173.853 . . 518 326 47 LEU CA C 54.369 . . 519 326 47 LEU CB C 40.456 . . 520 326 47 LEU CG C 23.719 . . 521 326 47 LEU CD1 C 23.840 . . 522 326 47 LEU CD2 C 21.426 . . 523 326 47 LEU N N 123.390 . . 524 327 48 ALA H H 7.936 . . 525 327 48 ALA HA H 4.396 . . 526 327 48 ALA HB H 1.420 . . 527 327 48 ALA CA C 48.758 . . 528 327 48 ALA CB C 18.900 . . 529 327 48 ALA N N 117.112 . . 530 328 49 GLU H H 8.650 . . 531 328 49 GLU HA H 4.161 . . 532 328 49 GLU HB2 H 2.038 . . 533 328 49 GLU HB3 H 1.422 . . 534 328 49 GLU HG2 H 2.274 . . 535 328 49 GLU HG3 H 2.308 . . 536 328 49 GLU HE2 H 4.811 . . 537 328 49 GLU C C 173.356 . . 538 328 49 GLU CA C 55.009 . . 539 328 49 GLU CB C 26.915 . . 540 328 49 GLU CG C 33.436 . . 541 328 49 GLU N N 119.859 . . 542 329 50 ARG H H 7.662 . . 543 329 50 ARG HA H 4.386 . . 544 329 50 ARG HB2 H 1.827 . . 545 329 50 ARG HB3 H 1.786 . . 546 329 50 ARG HG2 H 1.353 . . 547 329 50 ARG HG3 H 1.691 . . 548 329 50 ARG HD2 H 3.127 . . 549 329 50 ARG HD3 H 3.229 . . 550 329 50 ARG HE H 8.074 . . 551 329 50 ARG HH11 H 8.965 . . 552 329 50 ARG HH12 H 8.851 . . 553 329 50 ARG HH21 H 8.134 . . 554 329 50 ARG HH22 H 8.425 . . 555 329 50 ARG C C 170.998 . . 556 329 50 ARG CA C 52.134 . . 557 329 50 ARG CB C 27.907 . . 558 329 50 ARG CG C 23.948 . . 559 329 50 ARG CD C 40.766 . . 560 329 50 ARG N N 117.248 . . 561 329 50 ARG NE N 117.284 . . 562 330 51 HIS H H 8.482 . . 563 330 51 HIS HA H 4.482 . . 564 330 51 HIS HB2 H 3.154 . . 565 330 51 HIS HB3 H 4.792 . . 566 330 51 HIS HD2 H 8.064 . . 567 330 51 HIS HE2 H 7.880 . . 568 330 51 HIS C C 171.193 . . 569 330 51 HIS CA C 53.969 . . 570 330 51 HIS CB C 25.991 . . 571 330 51 HIS N N 118.841 . . 572 331 52 VAL H H 7.870 . . 573 331 52 VAL HA H 4.186 . . 574 331 52 VAL HB H 2.031 . . 575 331 52 VAL HG1 H 0.744 . . 576 331 52 VAL HG2 H 0.751 . . 577 331 52 VAL C C 170.960 . . 578 331 52 VAL CA C 58.197 . . 579 331 52 VAL CB C 31.113 . . 580 331 52 VAL CG1 C 19.528 . . 581 331 52 VAL CG2 C 17.422 . . 582 331 52 VAL N N 123.386 . . 583 332 53 GLU H H 8.613 . . 584 332 53 GLU HA H 4.242 . . 585 332 53 GLU HB2 H 2.100 . . 586 332 53 GLU HB3 H 2.367 . . 587 332 53 GLU HG2 H 2.333 . . 588 332 53 GLU HG3 H 3.141 . . 589 332 53 GLU HE2 H 0.801 . . 590 332 53 GLU C C 173.292 . . 591 332 53 GLU CA C 54.956 . . 592 332 53 GLU CB C 28.594 . . 593 332 53 GLU CG C 33.773 . . 594 332 53 GLU N N 121.698 . . 595 333 54 VAL H H 7.612 . . 596 333 54 VAL HA H 4.701 . . 597 333 54 VAL HB H 2.231 . . 598 333 54 VAL HG1 H 0.917 . . 599 333 54 VAL HG2 H 0.970 . . 600 333 54 VAL CA C 55.456 . . 601 333 54 VAL CB C 31.632 . . 602 333 54 VAL CG1 C 17.201 . . 603 333 54 VAL N N 113.445 . . 604 334 55 PRO HA H 4.207 . . 605 334 55 PRO HB2 H 2.421 . . 606 334 55 PRO HB3 H 1.804 . . 607 334 55 PRO HG2 H 1.860 . . 608 334 55 PRO HG3 H 2.006 . . 609 334 55 PRO HD2 H 3.820 . . 610 334 55 PRO HD3 H 3.669 . . 611 334 55 PRO CA C 63.257 . . 612 334 55 PRO CB C 29.706 . . 613 334 55 PRO CG C 25.072 . . 614 334 55 PRO CD C 48.146 . . 615 335 56 ASP H H 8.944 . . 616 335 56 ASP HA H 4.882 . . 617 335 56 ASP HB2 H 2.588 . . 618 335 56 ASP HB3 H 2.534 . . 619 335 56 ASP HD2 H 7.652 . . 620 335 56 ASP C C 173.167 . . 621 335 56 ASP CA C 51.408 . . 622 335 56 ASP CB C 36.522 . . 623 335 56 ASP N N 114.281 . . 624 336 57 GLN H H 7.639 . . 625 336 57 GLN HA H 4.194 . . 626 336 57 GLN HB2 H 2.151 . . 627 336 57 GLN HB3 H 1.462 . . 628 336 57 GLN HG2 H 2.623 . . 629 336 57 GLN HG3 H 3.132 . . 630 336 57 GLN HE21 H 7.660 . . 631 336 57 GLN HE22 H 7.152 . . 632 336 57 GLN C C 172.751 . . 633 336 57 GLN CA C 54.831 . . 634 336 57 GLN CB C 27.348 . . 635 336 57 GLN CG C 32.731 . . 636 336 57 GLN N N 115.850 . . 637 336 57 GLN NE2 N 112.122 . . 638 337 58 VAL H H 8.172 . . 639 337 58 VAL HA H 4.284 . . 640 337 58 VAL HB H 2.027 . . 641 337 58 VAL HG1 H 0.951 . . 642 337 58 VAL HG2 H 0.869 . . 643 337 58 VAL CA C 60.391 . . 644 337 58 VAL CB C 31.980 . . 645 337 58 VAL CG1 C 18.279 . . 646 337 58 VAL CG2 C 19.304 . . 647 337 58 VAL N N 115.742 . . 648 338 59 VAL H H 7.774 . . 649 338 59 VAL HA H 4.700 . . 650 338 59 VAL HB H 2.050 . . 651 338 59 VAL HG1 H 0.799 . . 652 338 59 VAL HG2 H 0.844 . . 653 338 59 VAL CA C 60.316 . . 654 338 59 VAL CG1 C 19.701 . . 655 338 59 VAL CG2 C 18.362 . . 656 338 59 VAL N N 112.845 . . 657 339 60 ALA HA H 4.627 . . 658 339 60 ALA HB H 1.303 . . 659 339 60 ALA C C 173.846 . . 660 339 60 ALA CA C 46.983 . . 661 339 60 ALA CB C 19.372 . . 662 340 61 VAL H H 8.501 . . 663 340 61 VAL HA H 3.143 . . 664 340 61 VAL HB H 1.862 . . 665 340 61 VAL HG1 H 0.886 . . 666 340 61 VAL HG2 H 0.988 . . 667 340 61 VAL C C 174.010 . . 668 340 61 VAL CA C 63.431 . . 669 340 61 VAL CB C 28.321 . . 670 340 61 VAL CG1 C 20.313 . . 671 340 61 VAL CG2 C 18.815 . . 672 340 61 VAL N N 119.798 . . 673 341 62 GLY H H 8.959 . . 674 341 62 GLY HA2 H 3.560 . . 675 341 62 GLY HA3 H 4.526 . . 676 341 62 GLY C C 170.774 . . 677 341 62 GLY CA C 41.876 . . 678 341 62 GLY N N 116.840 . . 679 342 63 ASP H H 8.061 . . 680 342 63 ASP HA H 4.542 . . 681 342 63 ASP HB2 H 2.690 . . 682 342 63 ASP HB3 H 2.772 . . 683 342 63 ASP C C 172.660 . . 684 342 63 ASP CA C 52.720 . . 685 342 63 ASP CB C 38.130 . . 686 342 63 ASP N N 121.959 . . 687 343 64 ASP H H 8.452 . . 688 343 64 ASP HA H 5.189 . . 689 343 64 ASP HB2 H 2.698 . . 690 343 64 ASP HB3 H 2.520 . . 691 343 64 ASP HD2 H 5.194 . . 692 343 64 ASP C C 172.238 . . 693 343 64 ASP CA C 51.883 . . 694 343 64 ASP CB C 39.596 . . 695 343 64 ASP N N 120.421 . . 696 344 65 ALA H H 8.590 . . 697 344 65 ALA HA H 4.643 . . 698 344 65 ALA HB H 1.049 . . 699 344 65 ALA C C 172.001 . . 700 344 65 ALA CA C 48.351 . . 701 344 65 ALA CB C 19.326 . . 702 344 65 ALA N N 123.891 . . 703 345 66 MET H H 8.195 . . 704 345 66 MET HA H 5.056 . . 705 345 66 MET HB2 H 1.589 . . 706 345 66 MET HB3 H 1.982 . . 707 345 66 MET HG2 H 2.547 . . 708 345 66 MET HG3 H 2.627 . . 709 345 66 MET HE H 1.579 . . 710 345 66 MET C C 171.747 . . 711 345 66 MET CA C 50.957 . . 712 345 66 MET CB C 28.625 . . 713 345 66 MET CG C 29.359 . . 714 345 66 MET CE C 28.927 . . 715 345 66 MET N N 121.111 . . 716 346 67 VAL H H 8.854 . . 717 346 67 VAL HA H 4.939 . . 718 346 67 VAL HB H 1.736 . . 719 346 67 VAL HG1 H 0.654 . . 720 346 67 VAL HG2 H 0.661 . . 721 346 67 VAL C C 169.740 . . 722 346 67 VAL CA C 55.208 . . 723 346 67 VAL CB C 32.900 . . 724 346 67 VAL CG1 C 20.513 . . 725 346 67 VAL CG2 C 16.608 . . 726 346 67 VAL N N 112.155 . . 727 347 68 LYS H H 8.932 . . 728 347 68 LYS HA H 4.979 . . 729 347 68 LYS HB2 H 1.275 . . 730 347 68 LYS HB3 H 1.565 . . 731 347 68 LYS HG2 H 1.297 . . 732 347 68 LYS HG3 H 1.011 . . 733 347 68 LYS HD2 H 1.733 . . 734 347 68 LYS HD3 H 1.558 . . 735 347 68 LYS HE2 H 2.510 . . 736 347 68 LYS HE3 H 2.963 . . 737 347 68 LYS HZ H 8.814 . . 738 347 68 LYS C C 172.806 . . 739 347 68 LYS CA C 51.867 . . 740 347 68 LYS CB C 33.324 . . 741 347 68 LYS CG C 22.520 . . 742 347 68 LYS CD C 27.484 . . 743 347 68 LYS CE C 39.181 . . 744 347 68 LYS N N 122.613 . . 745 348 69 VAL H H 8.994 . . 746 348 69 VAL HA H 4.031 . . 747 348 69 VAL HB H 2.002 . . 748 348 69 VAL HG1 H 0.954 . . 749 348 69 VAL HG2 H 0.915 . . 750 348 69 VAL C C 172.262 . . 751 348 69 VAL CA C 60.623 . . 752 348 69 VAL CB C 28.385 . . 753 348 69 VAL CG1 C 18.288 . . 754 348 69 VAL CG2 C 18.686 . . 755 348 69 VAL N N 127.467 . . 756 349 70 ILE H H 8.647 . . 757 349 70 ILE HA H 4.558 . . 758 349 70 ILE HB H 1.954 . . 759 349 70 ILE HG12 H 1.143 . . 760 349 70 ILE HG13 H 0.865 . . 761 349 70 ILE HG2 H 0.814 . . 762 349 70 ILE HD1 H 0.739 . . 763 349 70 ILE CA C 58.785 . . 764 349 70 ILE CB C 35.388 . . 765 349 70 ILE CG1 C 24.045 . . 766 349 70 ILE CG2 C 14.977 . . 767 349 70 ILE CD1 C 9.652 . . 768 349 70 ILE N N 125.374 . . 769 350 71 ASP H H 7.741 . . 770 350 71 ASP HA H 4.779 . . 771 350 71 ASP HB2 H 2.471 . . 772 350 71 ASP HB3 H 2.842 . . 773 350 71 ASP HD2 H 3.482 . . 774 350 71 ASP C C 171.069 . . 775 350 71 ASP CA C 52.479 . . 776 350 71 ASP CB C 41.226 . . 777 350 71 ASP N N 117.113 . . 778 351 72 ILE H H 8.151 . . 779 351 72 ILE HA H 4.430 . . 780 351 72 ILE HB H 1.841 . . 781 351 72 ILE HG12 H 0.999 . . 782 351 72 ILE HG13 H 1.668 . . 783 351 72 ILE HG2 H 1.001 . . 784 351 72 ILE HD1 H 0.324 . . 785 351 72 ILE C C 169.564 . . 786 351 72 ILE CA C 59.470 . . 787 351 72 ILE CB C 38.800 . . 788 351 72 ILE CG1 C 25.427 . . 789 351 72 ILE CG2 C 14.307 . . 790 351 72 ILE CD1 C 12.315 . . 791 351 72 ILE N N 122.481 . . 792 352 73 ASP H H 8.806 . . 793 352 73 ASP HA H 5.001 . . 794 352 73 ASP HB2 H 2.545 . . 795 352 73 ASP HB3 H 2.971 . . 796 352 73 ASP C C 173.310 . . 797 352 73 ASP CA C 49.362 . . 798 352 73 ASP CB C 39.091 . . 799 352 73 ASP N N 127.592 . . 800 353 74 LEU H H 9.005 . . 801 353 74 LEU HA H 4.064 . . 802 353 74 LEU HB2 H 1.703 . . 803 353 74 LEU HB3 H 1.792 . . 804 353 74 LEU HG H 1.302 . . 805 353 74 LEU HD1 H 0.890 . . 806 353 74 LEU HD2 H 1.019 . . 807 353 74 LEU C C 173.654 . . 808 353 74 LEU CA C 54.870 . . 809 353 74 LEU CB C 39.321 . . 810 353 74 LEU CG C 24.704 . . 811 353 74 LEU CD1 C 22.709 . . 812 353 74 LEU CD2 C 21.494 . . 813 353 74 LEU N N 124.970 . . 814 354 75 GLU H H 8.304 . . 815 354 75 GLU HA H 4.077 . . 816 354 75 GLU HB2 H 2.102 . . 817 354 75 GLU HB3 H 2.293 . . 818 354 75 GLU HG2 H 2.316 . . 819 354 75 GLU HG3 H 2.055 . . 820 354 75 GLU HE2 H 4.527 . . 821 354 75 GLU C C 174.898 . . 822 354 75 GLU CA C 56.499 . . 823 354 75 GLU CB C 26.807 . . 824 354 75 GLU CG C 33.796 . . 825 354 75 GLU N N 119.102 . . 826 355 76 ARG H H 7.677 . . 827 355 76 ARG HA H 4.128 . . 828 355 76 ARG HB2 H 1.290 . . 829 355 76 ARG HB3 H 1.788 . . 830 355 76 ARG HG2 H 1.764 . . 831 355 76 ARG HG3 H 2.185 . . 832 355 76 ARG HD2 H 3.101 . . 833 355 76 ARG HD3 H 2.668 . . 834 355 76 ARG HH11 H 8.178 . . 835 355 76 ARG HH21 H 8.610 . . 836 355 76 ARG C C 171.307 . . 837 355 76 ARG CA C 52.690 . . 838 355 76 ARG CB C 27.501 . . 839 355 76 ARG CG C 25.602 . . 840 355 76 ARG CD C 40.175 . . 841 355 76 ARG N N 115.496 . . 842 356 77 ARG H H 7.396 . . 843 356 77 ARG HA H 2.585 . . 844 356 77 ARG HB2 H 0.327 . . 845 356 77 ARG HB3 H 1.465 . . 846 356 77 ARG HG2 H 0.383 . . 847 356 77 ARG HG3 H 0.921 . . 848 356 77 ARG HD2 H 2.534 . . 849 356 77 ARG HD3 H 2.480 . . 850 356 77 ARG HE H 7.763 . . 851 356 77 ARG HH11 H 6.995 . . 852 356 77 ARG HH12 H 8.270 . . 853 356 77 ARG HH21 H 8.247 . . 854 356 77 ARG HH22 H 8.406 . . 855 356 77 ARG C C 174.749 . . 856 356 77 ARG CA C 54.137 . . 857 356 77 ARG CB C 23.481 . . 858 356 77 ARG CG C 24.439 . . 859 356 77 ARG CD C 40.845 . . 860 356 77 ARG N N 117.650 . . 861 357 78 ARG H H 7.897 . . 862 357 78 ARG HA H 4.894 . . 863 357 78 ARG HB2 H 1.561 . . 864 357 78 ARG HB3 H 1.793 . . 865 357 78 ARG HG2 H 1.398 . . 866 357 78 ARG HG3 H 1.499 . . 867 357 78 ARG HD2 H 3.119 . . 868 357 78 ARG HD3 H 2.474 . . 869 357 78 ARG HH11 H 8.634 . . 870 357 78 ARG C C 171.209 . . 871 357 78 ARG CA C 51.828 . . 872 357 78 ARG CB C 31.525 . . 873 357 78 ARG CG C 24.154 . . 874 357 78 ARG CD C 41.014 . . 875 357 78 ARG N N 117.259 . . 876 358 79 ILE H H 9.157 . . 877 358 79 ILE HA H 4.883 . . 878 358 79 ILE HB H 1.714 . . 879 358 79 ILE HG12 H 1.338 . . 880 358 79 ILE HG13 H 1.004 . . 881 358 79 ILE HG2 H 0.822 . . 882 358 79 ILE HD1 H 0.330 . . 883 358 79 ILE C C 170.962 . . 884 358 79 ILE CA C 57.087 . . 885 358 79 ILE CB C 38.814 . . 886 358 79 ILE CG1 C 25.454 . . 887 358 79 ILE CG2 C 14.425 . . 888 358 79 ILE CD1 C 12.335 . . 889 358 79 ILE N N 124.644 . . 890 359 80 SER H H 8.635 . . 891 359 80 SER HA H 5.126 . . 892 359 80 SER HB2 H 3.739 . . 893 359 80 SER HB3 H 3.839 . . 894 359 80 SER HG H 4.295 . . 895 359 80 SER C C 170.074 . . 896 359 80 SER CA C 54.683 . . 897 359 80 SER CB C 61.670 . . 898 359 80 SER N N 122.137 . . 899 360 81 LEU H H 8.451 . . 900 360 81 LEU HA H 5.561 . . 901 360 81 LEU HB2 H 1.538 . . 902 360 81 LEU HB3 H 1.039 . . 903 360 81 LEU HG H 2.449 . . 904 360 81 LEU HD1 H 0.671 . . 905 360 81 LEU HD2 H 1.019 . . 906 360 81 LEU C C 172.411 . . 907 360 81 LEU CA C 50.028 . . 908 360 81 LEU CB C 45.235 . . 909 360 81 LEU CG C 32.425 . . 910 360 81 LEU CD1 C 23.918 . . 911 360 81 LEU CD2 C 24.296 . . 912 360 81 LEU N N 125.449 . . 913 361 82 SER H H 8.897 . . 914 361 82 SER HA H 5.015 . . 915 361 82 SER HB2 H 3.477 . . 916 361 82 SER HB3 H 3.999 . . 917 361 82 SER HG H 4.801 . . 918 361 82 SER C C 171.971 . . 919 361 82 SER CA C 54.686 . . 920 361 82 SER CB C 62.648 . . 921 361 82 SER N N 111.091 . . 922 362 83 LEU H H 8.649 . . 923 362 83 LEU HA H 4.416 . . 924 362 83 LEU HB2 H 1.785 . . 925 362 83 LEU HB3 H 2.440 . . 926 362 83 LEU HG H 2.160 . . 927 362 83 LEU HD1 H 0.355 . . 928 362 83 LEU HD2 H 0.913 . . 929 362 83 LEU C C 175.627 . . 930 362 83 LEU CA C 62.693 . . 931 362 83 LEU CB C 29.666 . . 932 362 83 LEU CG C 29.818 . . 933 362 83 LEU CD1 C 24.711 . . 934 362 83 LEU CD2 C 24.995 . . 935 363 84 LYS H H 8.449 . . 936 363 84 LYS HA H 3.999 . . 937 363 84 LYS HB2 H 3.194 . . 938 363 84 LYS HB3 H 3.454 . . 939 363 84 LYS HG2 H 1.836 . . 940 363 84 LYS HG3 H 1.398 . . 941 363 84 LYS HD3 H 1.676 . . 942 363 84 LYS HE2 H 3.866 . . 943 363 84 LYS HE3 H 4.006 . . 944 363 84 LYS HZ H 7.363 . . 945 363 84 LYS C C 174.848 . . 946 363 84 LYS CA C 59.069 . . 947 363 84 LYS CB C 25.312 . . 948 363 84 LYS CG C 29.785 . . 949 363 84 LYS CE C 42.671 . . 950 363 84 LYS N N 121.204 . . 951 364 85 GLN H H 8.162 . . 952 364 85 GLN HA H 4.111 . . 953 364 85 GLN HB2 H 2.354 . . 954 364 85 GLN HB3 H 4.806 . . 955 364 85 GLN HG2 H 2.151 . . 956 364 85 GLN HG3 H 2.611 . . 957 364 85 GLN HE21 H 7.600 . . 958 364 85 GLN HE22 H 6.888 . . 959 364 85 GLN C C 175.495 . . 960 364 85 GLN CA C 56.726 . . 961 364 85 GLN CB C 26.905 . . 962 364 85 GLN CG C 30.578 . . 963 364 85 GLN N N 120.164 . . 964 364 85 GLN NE2 N 112.536 . . 965 365 86 ALA H H 7.991 . . 966 365 86 ALA HA H 4.191 . . 967 365 86 ALA HB H 1.459 . . 968 365 86 ALA CA C 50.787 . . 969 365 86 ALA CB C 16.550 . . 970 366 87 ASN H H 7.755 . . 971 366 87 ASN HA H 4.590 . . 972 366 87 ASN HB2 H 2.836 . . 973 366 87 ASN HB3 H 2.857 . . 974 366 87 ASN HD21 H 7.730 . . 975 366 87 ASN HD22 H 6.907 . . 976 366 87 ASN C C 172.921 . . 977 366 87 ASN CA C 51.736 . . 978 366 87 ASN CB C 36.018 . . 979 366 87 ASN N N 116.255 . . 980 366 87 ASN ND2 N 112.628 . . 981 367 88 GLU H H 8.027 . . 982 367 88 GLU HA H 4.158 . . 983 367 88 GLU HB2 H 2.025 . . 984 367 88 GLU HB3 H 2.285 . . 985 367 88 GLU HG2 H 2.306 . . 986 367 88 GLU HG3 H 1.317 . . 987 367 88 GLU HE2 H 4.744 . . 988 367 88 GLU C C 173.306 . . 989 367 88 GLU CA C 55.025 . . 990 367 88 GLU CB C 27.409 . . 991 367 88 GLU CG C 33.354 . . 992 367 88 GLU N N 120.182 . . 993 368 89 ASP H H 8.106 . . 994 368 89 ASP HA H 4.542 . . 995 368 89 ASP HB2 H 2.725 . . 996 368 89 ASP HB3 H 2.850 . . 997 368 89 ASP HD2 H 5.194 . . 998 368 89 ASP C C 173.804 . . 999 368 89 ASP CA C 52.614 . . 1000 368 89 ASP CB C 38.336 . . 1001 368 89 ASP N N 120.677 . . stop_ save_