data_34287 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of the free helix bundle domain from the functional pRN1 primase ; _BMRB_accession_number 34287 _BMRB_flat_file_name bmr34287.str _Entry_type original _Submission_date 2018-06-15 _Accession_date 2018-06-15 _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 Boudet J. . . 2 Lipps G. . . 3 Allain F. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 569 "13C chemical shifts" 370 "15N chemical shifts" 102 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-03-29 update BMRB 'update entry citation' 2018-12-19 original author 'original release' stop_ _Original_release_date 2018-10-25 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; A Small Helical Bundle Prepares Primer Synthesis by Binding Two Nucleotides that Enhance Sequence-Specific Recognition of the DNA Template ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30595448 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Boudet J. . . 2 Devillier J. C. . 3 Wiegand T. . . 4 Salmon L. . . 5 Meier B. H. . 6 Lipps G. . . 7 Allain F. H.-T. . stop_ _Journal_abbreviation Cell _Journal_volume 176 _Journal_issue . _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 154 _Page_last 166 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'functional pRN1 primase' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 13528.738 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 115 _Mol_residue_sequence ; TVVEFEELRKELVKRDSGKP VEKIKEEICTKSPPKLIKEI ICENKTYADVNIDRSRGDWH VILYLMKHGVTDPDKILELL PRDSKAKENEKWNTQKYFVI TLSKAWSVVKKYLEA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 256 THR 2 257 VAL 3 258 VAL 4 259 GLU 5 260 PHE 6 261 GLU 7 262 GLU 8 263 LEU 9 264 ARG 10 265 LYS 11 266 GLU 12 267 LEU 13 268 VAL 14 269 LYS 15 270 ARG 16 271 ASP 17 272 SER 18 273 GLY 19 274 LYS 20 275 PRO 21 276 VAL 22 277 GLU 23 278 LYS 24 279 ILE 25 280 LYS 26 281 GLU 27 282 GLU 28 283 ILE 29 284 CYS 30 285 THR 31 286 LYS 32 287 SER 33 288 PRO 34 289 PRO 35 290 LYS 36 291 LEU 37 292 ILE 38 293 LYS 39 294 GLU 40 295 ILE 41 296 ILE 42 297 CYS 43 298 GLU 44 299 ASN 45 300 LYS 46 301 THR 47 302 TYR 48 303 ALA 49 304 ASP 50 305 VAL 51 306 ASN 52 307 ILE 53 308 ASP 54 309 ARG 55 310 SER 56 311 ARG 57 312 GLY 58 313 ASP 59 314 TRP 60 315 HIS 61 316 VAL 62 317 ILE 63 318 LEU 64 319 TYR 65 320 LEU 66 321 MET 67 322 LYS 68 323 HIS 69 324 GLY 70 325 VAL 71 326 THR 72 327 ASP 73 328 PRO 74 329 ASP 75 330 LYS 76 331 ILE 77 332 LEU 78 333 GLU 79 334 LEU 80 335 LEU 81 336 PRO 82 337 ARG 83 338 ASP 84 339 SER 85 340 LYS 86 341 ALA 87 342 LYS 88 343 GLU 89 344 ASN 90 345 GLU 91 346 LYS 92 347 TRP 93 348 ASN 94 349 THR 95 350 GLN 96 351 LYS 97 352 TYR 98 353 PHE 99 354 VAL 100 355 ILE 101 356 THR 102 357 LEU 103 358 SER 104 359 LYS 105 360 ALA 106 361 TRP 107 362 SER 108 363 VAL 109 364 VAL 110 365 LYS 111 366 LYS 112 367 TYR 113 368 LEU 114 369 GLU 115 370 ALA 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 $entity_1 'Sulfolobus islandicus' 43080 Archaea . Sulfolobus islandicus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . . . . plasmid pET28b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1.2 mM [U-99% 13C; U-99% 15N] helix bundle domain, 0.9 mM [U-99% 15N] helix bundle domain, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.2 mM '[U-99% 13C; U-99% 15N]' $entity_1 0.9 mM '[U-99% 15N]' NaCl 50 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '0.7 mM [U-100% 13C] helix bundle domain, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.7 mM '[U-100% 13C]' NaCl 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name CANDID _Version . loop_ _Vendor _Address _Electronic_address 'Herrmann, Guntert and Wuthrich' . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE III HD' _Field_strength 900 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE III' _Field_strength 700 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE III' _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_15N-NOESY-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-NOESY-HSQC _Sample_label $sample_1 save_ save_13Cali-NOESY-HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name 13Cali-NOESY-HSQC _Sample_label $sample_1 save_ save_13Caro-NOESY-HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name 13Caro-NOESY-HSQC _Sample_label $sample_1 save_ save_13Cali-HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name 13Cali-HSQC _Sample_label $sample_2 save_ save_13Caro-HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name 13Caro-HSQC _Sample_label $sample_2 save_ save_15N-HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-HSQC _Sample_label $sample_1 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _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' 50 . mM pH 7.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 protons ppm 4.7 internal direct . . . 1.0 water H 1 protons ppm 4.7 internal direct . . . 1.0 water N 15 protons ppm 4.7 internal direct . . . 1.0 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label 15N-NOESY-HSQC 13Cali-NOESY-HSQC 13Caro-NOESY-HSQC 13Cali-HSQC 13Caro-HSQC 15N-HSQC '3D HNCACB' '3D CBCA(CO)NH' '3D HNCA' '3D HN(CO)CA' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _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 1 256 1 THR CA C 61.620 . . 2 256 1 THR CB C 70.300 . . 3 256 1 THR CG2 C 21.730 . . 4 257 2 VAL H H 8.258 . . 5 257 2 VAL HA H 4.364 . . 6 257 2 VAL HB H 2.075 . . 7 257 2 VAL HG1 H 1.180 . . 8 257 2 VAL HG2 H 0.922 . . 9 257 2 VAL CA C 64.251 . . 10 257 2 VAL CB C 32.118 . . 11 257 2 VAL CG1 C 21.766 . . 12 257 2 VAL CG2 C 21.339 . . 13 257 2 VAL N N 122.551 . . 14 258 3 VAL H H 7.923 . . 15 258 3 VAL HA H 3.965 . . 16 258 3 VAL HB H 1.966 . . 17 258 3 VAL HG1 H 0.905 . . 18 258 3 VAL HG2 H 0.943 . . 19 258 3 VAL CA C 64.618 . . 20 258 3 VAL CB C 32.189 . . 21 258 3 VAL CG2 C 21.633 . . 22 258 3 VAL N N 122.554 . . 23 259 4 GLU H H 8.245 . . 24 259 4 GLU HA H 4.130 . . 25 259 4 GLU HG2 H 2.241 . . 26 259 4 GLU HG3 H 2.241 . . 27 259 4 GLU CA C 58.281 . . 28 259 4 GLU CB C 29.713 . . 29 259 4 GLU CG C 36.854 . . 30 259 4 GLU N N 121.842 . . 31 260 5 PHE H H 8.456 . . 32 260 5 PHE HB2 H 3.148 . . 33 260 5 PHE HB3 H 3.148 . . 34 260 5 PHE CA C 59.818 . . 35 260 5 PHE CB C 38.998 . . 36 260 5 PHE N N 121.035 . . 37 261 6 GLU H H 8.257 . . 38 261 6 GLU HG2 H 2.291 . . 39 261 6 GLU HG3 H 2.291 . . 40 261 6 GLU CA C 59.374 . . 41 261 6 GLU CB C 28.908 . . 42 261 6 GLU CG C 35.959 . . 43 261 6 GLU N N 119.181 . . 44 262 7 GLU H H 7.829 . . 45 262 7 GLU HA H 3.930 . . 46 262 7 GLU HB2 H 2.097 . . 47 262 7 GLU HB3 H 1.974 . . 48 262 7 GLU HG2 H 2.291 . . 49 262 7 GLU HG3 H 2.206 . . 50 262 7 GLU CA C 58.987 . . 51 262 7 GLU CB C 29.043 . . 52 262 7 GLU CG C 36.181 . . 53 262 7 GLU N N 117.757 . . 54 263 8 LEU H H 7.616 . . 55 263 8 LEU HA H 4.070 . . 56 263 8 LEU HB2 H 1.712 . . 57 263 8 LEU HB3 H 1.480 . . 58 263 8 LEU HG H 1.194 . . 59 263 8 LEU HD1 H 0.824 . . 60 263 8 LEU HD2 H 0.744 . . 61 263 8 LEU CA C 57.473 . . 62 263 8 LEU CB C 41.090 . . 63 263 8 LEU CG C 27.075 . . 64 263 8 LEU CD1 C 26.441 . . 65 263 8 LEU CD2 C 23.024 . . 66 263 8 LEU N N 122.323 . . 67 264 9 ARG H H 8.512 . . 68 264 9 ARG HB2 H 1.516 . . 69 264 9 ARG HB3 H 1.124 . . 70 264 9 ARG HG2 H 1.318 . . 71 264 9 ARG HG3 H 1.182 . . 72 264 9 ARG HD2 H 3.014 . . 73 264 9 ARG HD3 H 2.921 . . 74 264 9 ARG CA C 60.363 . . 75 264 9 ARG CB C 29.436 . . 76 264 9 ARG CG C 27.331 . . 77 264 9 ARG CD C 42.994 . . 78 264 9 ARG N N 118.763 . . 79 265 10 LYS H H 7.470 . . 80 265 10 LYS HB2 H 1.755 . . 81 265 10 LYS HB3 H 1.717 . . 82 265 10 LYS HG2 H 1.569 . . 83 265 10 LYS HG3 H 1.278 . . 84 265 10 LYS HD2 H 1.585 . . 85 265 10 LYS HD3 H 1.520 . . 86 265 10 LYS HE2 H 2.841 . . 87 265 10 LYS HE3 H 2.841 . . 88 265 10 LYS CA C 59.880 . . 89 265 10 LYS CB C 32.533 . . 90 265 10 LYS CG C 25.578 . . 91 265 10 LYS CD C 29.498 . . 92 265 10 LYS CE C 41.981 . . 93 265 10 LYS N N 115.409 . . 94 266 11 GLU H H 7.280 . . 95 266 11 GLU HA H 3.877 . . 96 266 11 GLU HB2 H 2.123 . . 97 266 11 GLU HB3 H 1.984 . . 98 266 11 GLU HG2 H 2.164 . . 99 266 11 GLU HG3 H 2.102 . . 100 266 11 GLU CA C 58.936 . . 101 266 11 GLU CB C 29.434 . . 102 266 11 GLU CG C 35.681 . . 103 266 11 GLU N N 120.186 . . 104 267 12 LEU H H 8.168 . . 105 267 12 LEU HA H 3.161 . . 106 267 12 LEU HB2 H 1.796 . . 107 267 12 LEU HB3 H 1.411 . . 108 267 12 LEU HG H 1.204 . . 109 267 12 LEU HD1 H 0.425 . . 110 267 12 LEU HD2 H -0.343 . . 111 267 12 LEU CA C 57.551 . . 112 267 12 LEU CB C 39.324 . . 113 267 12 LEU CG C 26.151 . . 114 267 12 LEU CD1 C 25.963 . . 115 267 12 LEU CD2 C 20.542 . . 116 267 12 LEU N N 118.427 . . 117 268 13 VAL H H 8.425 . . 118 268 13 VAL HA H 3.341 . . 119 268 13 VAL HB H 1.973 . . 120 268 13 VAL HG1 H 0.939 . . 121 268 13 VAL HG2 H 0.852 . . 122 268 13 VAL CA C 67.356 . . 123 268 13 VAL CB C 31.508 . . 124 268 13 VAL CG1 C 23.119 . . 125 268 13 VAL CG2 C 21.235 . . 126 268 13 VAL N N 118.988 . . 127 269 14 LYS H H 7.332 . . 128 269 14 LYS HA H 3.963 . . 129 269 14 LYS HB2 H 1.845 . . 130 269 14 LYS HB3 H 1.845 . . 131 269 14 LYS HG2 H 1.467 . . 132 269 14 LYS HG3 H 1.375 . . 133 269 14 LYS HD2 H 1.601 . . 134 269 14 LYS HD3 H 1.601 . . 135 269 14 LYS HE2 H 2.859 . . 136 269 14 LYS HE3 H 2.859 . . 137 269 14 LYS CA C 58.853 . . 138 269 14 LYS CB C 32.312 . . 139 269 14 LYS CG C 25.023 . . 140 269 14 LYS CD C 29.416 . . 141 269 14 LYS CE C 42.022 . . 142 269 14 LYS N N 119.649 . . 143 270 15 ARG H H 7.307 . . 144 270 15 ARG HA H 4.179 . . 145 270 15 ARG HB2 H 1.944 . . 146 270 15 ARG HB3 H 1.539 . . 147 270 15 ARG HG2 H 1.719 . . 148 270 15 ARG HG3 H 1.719 . . 149 270 15 ARG HD2 H 3.205 . . 150 270 15 ARG HD3 H 3.089 . . 151 270 15 ARG CA C 54.679 . . 152 270 15 ARG CB C 29.921 . . 153 270 15 ARG CG C 27.083 . . 154 270 15 ARG CD C 42.819 . . 155 270 15 ARG N N 115.008 . . 156 271 16 ASP H H 6.832 . . 157 271 16 ASP HB2 H 2.689 . . 158 271 16 ASP HB3 H 2.657 . . 159 271 16 ASP CA C 56.190 . . 160 271 16 ASP CB C 44.911 . . 161 271 16 ASP N N 121.539 . . 162 272 17 SER H H 8.595 . . 163 272 17 SER HA H 4.616 . . 164 272 17 SER CA C 59.853 . . 165 272 17 SER CB C 64.263 . . 166 272 17 SER N N 118.219 . . 167 273 18 GLY H H 8.836 . . 168 273 18 GLY HA2 H 4.053 . . 169 273 18 GLY HA3 H 3.664 . . 170 273 18 GLY CA C 45.883 . . 171 273 18 GLY N N 111.441 . . 172 274 19 LYS H H 7.809 . . 173 274 19 LYS HA H 4.571 . . 174 274 19 LYS N N 121.128 . . 175 275 20 PRO HB2 H 2.384 . . 176 275 20 PRO HB3 H 1.986 . . 177 275 20 PRO HG2 H 2.095 . . 178 275 20 PRO HG3 H 1.945 . . 179 275 20 PRO CA C 61.809 . . 180 275 20 PRO CB C 32.247 . . 181 275 20 PRO CG C 27.722 . . 182 275 20 PRO CD C 50.378 . . 183 276 21 VAL H H 8.940 . . 184 276 21 VAL HA H 4.588 . . 185 276 21 VAL HB H 1.968 . . 186 276 21 VAL HG1 H 0.967 . . 187 276 21 VAL HG2 H 0.842 . . 188 276 21 VAL CA C 67.595 . . 189 276 21 VAL CB C 31.528 . . 190 276 21 VAL CG1 C 22.563 . . 191 276 21 VAL CG2 C 21.310 . . 192 276 21 VAL N N 122.293 . . 193 277 22 GLU H H 9.258 . . 194 277 22 GLU HA H 3.922 . . 195 277 22 GLU HB2 H 1.939 . . 196 277 22 GLU HB3 H 1.939 . . 197 277 22 GLU HG2 H 2.255 . . 198 277 22 GLU HG3 H 2.255 . . 199 277 22 GLU CA C 60.090 . . 200 277 22 GLU CB C 28.716 . . 201 277 22 GLU CG C 36.211 . . 202 277 22 GLU N N 117.309 . . 203 278 23 LYS H H 6.987 . . 204 278 23 LYS HB2 H 1.901 . . 205 278 23 LYS HB3 H 1.860 . . 206 278 23 LYS HG2 H 1.447 . . 207 278 23 LYS HG3 H 1.436 . . 208 278 23 LYS HD2 H 2.094 . . 209 278 23 LYS HD3 H 1.945 . . 210 278 23 LYS HE2 H 2.898 . . 211 278 23 LYS HE3 H 2.898 . . 212 278 23 LYS CA C 56.976 . . 213 278 23 LYS CB C 31.960 . . 214 278 23 LYS CG C 24.305 . . 215 278 23 LYS CD C 27.743 . . 216 278 23 LYS CE C 41.907 . . 217 278 23 LYS N N 119.259 . . 218 279 24 ILE H H 7.957 . . 219 279 24 ILE HA H 3.541 . . 220 279 24 ILE HB H 1.903 . . 221 279 24 ILE HG12 H 1.427 . . 222 279 24 ILE HG13 H 0.825 . . 223 279 24 ILE HG2 H 0.742 . . 224 279 24 ILE HD1 H 0.819 . . 225 279 24 ILE CA C 65.250 . . 226 279 24 ILE CB C 38.152 . . 227 279 24 ILE CG1 C 28.428 . . 228 279 24 ILE CG2 C 18.250 . . 229 279 24 ILE CD1 C 14.694 . . 230 279 24 ILE N N 121.983 . . 231 280 25 LYS H H 8.092 . . 232 280 25 LYS HB2 H 1.739 . . 233 280 25 LYS HB3 H 1.669 . . 234 280 25 LYS HG2 H 1.536 . . 235 280 25 LYS HD2 H 1.602 . . 236 280 25 LYS HD3 H 1.602 . . 237 280 25 LYS HE2 H 2.850 . . 238 280 25 LYS HE3 H 2.850 . . 239 280 25 LYS CA C 60.833 . . 240 280 25 LYS CB C 32.416 . . 241 280 25 LYS CG C 26.564 . . 242 280 25 LYS CD C 29.534 . . 243 280 25 LYS CE C 42.108 . . 244 280 25 LYS N N 116.384 . . 245 281 26 GLU H H 7.243 . . 246 281 26 GLU HA H 4.211 . . 247 281 26 GLU HB2 H 2.083 . . 248 281 26 GLU HB3 H 2.083 . . 249 281 26 GLU HG2 H 2.264 . . 250 281 26 GLU HG3 H 2.049 . . 251 281 26 GLU CA C 59.635 . . 252 281 26 GLU CB C 29.975 . . 253 281 26 GLU CG C 36.084 . . 254 281 26 GLU N N 118.225 . . 255 282 27 GLU H H 8.295 . . 256 282 27 GLU HA H 3.820 . . 257 282 27 GLU HB2 H 2.136 . . 258 282 27 GLU HB3 H 1.948 . . 259 282 27 GLU HG2 H 2.422 . . 260 282 27 GLU HG3 H 2.210 . . 261 282 27 GLU CA C 59.526 . . 262 282 27 GLU CB C 29.790 . . 263 282 27 GLU CG C 36.601 . . 264 282 27 GLU N N 119.393 . . 265 283 28 ILE H H 8.263 . . 266 283 28 ILE HA H 3.650 . . 267 283 28 ILE HB H 1.763 . . 268 283 28 ILE HG12 H 1.729 . . 269 283 28 ILE HG13 H 0.968 . . 270 283 28 ILE HG2 H 0.616 . . 271 283 28 ILE HD1 H 0.631 . . 272 283 28 ILE CA C 64.682 . . 273 283 28 ILE CB C 38.658 . . 274 283 28 ILE CG1 C 28.740 . . 275 283 28 ILE CG2 C 16.930 . . 276 283 28 ILE CD1 C 14.250 . . 277 283 28 ILE N N 117.127 . . 278 284 29 CYS H H 8.403 . . 279 284 29 CYS HA H 4.175 . . 280 284 29 CYS HB2 H 3.093 . . 281 284 29 CYS HB3 H 3.051 . . 282 284 29 CYS CA C 58.350 . . 283 284 29 CYS CB C 40.865 . . 284 284 29 CYS N N 113.956 . . 285 285 30 THR H H 7.597 . . 286 285 30 THR HA H 4.426 . . 287 285 30 THR HG2 H 1.285 . . 288 285 30 THR CA C 62.752 . . 289 285 30 THR CB C 70.011 . . 290 285 30 THR CG2 C 21.437 . . 291 285 30 THR N N 109.667 . . 292 286 31 LYS H H 6.943 . . 293 286 31 LYS HB2 H 1.702 . . 294 286 31 LYS HB3 H 1.702 . . 295 286 31 LYS HG2 H 1.509 . . 296 286 31 LYS HG3 H 1.366 . . 297 286 31 LYS HD2 H 1.618 . . 298 286 31 LYS HD3 H 1.618 . . 299 286 31 LYS HE2 H 2.922 . . 300 286 31 LYS HE3 H 2.922 . . 301 286 31 LYS CA C 55.105 . . 302 286 31 LYS CB C 31.622 . . 303 286 31 LYS CG C 24.792 . . 304 286 31 LYS CD C 29.142 . . 305 286 31 LYS N N 122.299 . . 306 292 37 ILE HD1 H 0.409 . . 307 292 37 ILE CD1 C 9.470 . . 308 294 39 GLU CA C 59.541 . . 309 294 39 GLU CG C 36.991 . . 310 295 40 ILE H H 8.046 . . 311 295 40 ILE HA H 3.969 . . 312 295 40 ILE HB H 1.862 . . 313 295 40 ILE HG12 H 1.869 . . 314 295 40 ILE HG13 H 1.151 . . 315 295 40 ILE HG2 H 0.795 . . 316 295 40 ILE HD1 H 0.411 . . 317 295 40 ILE CA C 61.283 . . 318 295 40 ILE CB C 37.296 . . 319 295 40 ILE CG1 C 27.921 . . 320 295 40 ILE CG2 C 17.893 . . 321 295 40 ILE CD1 C 10.645 . . 322 295 40 ILE N N 115.795 . . 323 296 41 ILE H H 8.501 . . 324 296 41 ILE HB H 2.118 . . 325 296 41 ILE HG12 H 1.420 . . 326 296 41 ILE HG13 H 1.420 . . 327 296 41 ILE HG2 H 0.744 . . 328 296 41 ILE HG2 H 0.291 . . 329 296 41 ILE HG2 H 0.744 . . 330 296 41 ILE HD1 H 0.790 . . 331 296 41 ILE CA C 62.664 . . 332 296 41 ILE CB C 36.187 . . 333 296 41 ILE CG1 C 28.561 . . 334 296 41 ILE CG2 C 17.339 . . 335 296 41 ILE CD1 C 12.053 . . 336 296 41 ILE N N 115.848 . . 337 297 42 CYS H H 7.408 . . 338 297 42 CYS HA H 4.580 . . 339 297 42 CYS HB2 H 3.637 . . 340 297 42 CYS HB3 H 3.263 . . 341 297 42 CYS CB C 38.934 . . 342 297 42 CYS N N 116.135 . . 343 298 43 GLU H H 7.423 . . 344 298 43 GLU HB3 H 1.985 . . 345 298 43 GLU HG2 H 2.087 . . 346 298 43 GLU HG3 H 1.990 . . 347 298 43 GLU CA C 55.474 . . 348 298 43 GLU CB C 29.274 . . 349 298 43 GLU CG C 35.957 . . 350 298 43 GLU N N 115.618 . . 351 299 44 ASN H H 6.921 . . 352 299 44 ASN HA H 4.484 . . 353 299 44 ASN HB2 H 3.005 . . 354 299 44 ASN HB3 H 2.590 . . 355 299 44 ASN CA C 54.386 . . 356 299 44 ASN CB C 37.451 . . 357 299 44 ASN N N 113.454 . . 358 300 45 LYS H H 8.038 . . 359 300 45 LYS HA H 3.966 . . 360 300 45 LYS HB2 H 1.896 . . 361 300 45 LYS HB3 H 1.314 . . 362 300 45 LYS HG2 H 1.367 . . 363 300 45 LYS HG3 H 1.271 . . 364 300 45 LYS HD2 H 1.418 . . 365 300 45 LYS HD3 H 1.418 . . 366 300 45 LYS HE2 H 2.862 . . 367 300 45 LYS HE3 H 2.828 . . 368 300 45 LYS CA C 55.948 . . 369 300 45 LYS CB C 33.697 . . 370 300 45 LYS CG C 26.327 . . 371 300 45 LYS CD C 29.257 . . 372 300 45 LYS CE C 42.406 . . 373 300 45 LYS N N 117.674 . . 374 301 46 THR H H 8.446 . . 375 301 46 THR HA H 4.418 . . 376 301 46 THR HG2 H 1.103 . . 377 301 46 THR CA C 59.570 . . 378 301 46 THR CB C 70.092 . . 379 301 46 THR CG2 C 22.040 . . 380 301 46 THR N N 108.414 . . 381 302 47 TYR H H 9.749 . . 382 302 47 TYR HA H 4.223 . . 383 302 47 TYR HB2 H 3.198 . . 384 302 47 TYR HB3 H 2.788 . . 385 302 47 TYR HD1 H 6.681 . . 386 302 47 TYR HD2 H 6.681 . . 387 302 47 TYR HE1 H 6.663 . . 388 302 47 TYR HE2 H 6.663 . . 389 302 47 TYR CA C 59.525 . . 390 302 47 TYR CB C 35.272 . . 391 302 47 TYR CD1 C 131.524 . . 392 302 47 TYR CD2 C 131.524 . . 393 302 47 TYR CE1 C 118.088 . . 394 302 47 TYR CE2 C 118.088 . . 395 302 47 TYR N N 121.743 . . 396 303 48 ALA H H 9.054 . . 397 303 48 ALA HA H 4.092 . . 398 303 48 ALA HB H 1.354 . . 399 303 48 ALA CA C 54.645 . . 400 303 48 ALA CB C 18.159 . . 401 303 48 ALA N N 122.076 . . 402 304 49 ASP H H 7.862 . . 403 304 49 ASP HA H 4.209 . . 404 304 49 ASP HB2 H 3.095 . . 405 304 49 ASP HB3 H 2.526 . . 406 304 49 ASP CA C 57.250 . . 407 304 49 ASP CB C 41.532 . . 408 304 49 ASP N N 118.251 . . 409 305 50 VAL H H 7.301 . . 410 305 50 VAL HA H 4.254 . . 411 305 50 VAL HB H 2.291 . . 412 305 50 VAL HG1 H 0.770 . . 413 305 50 VAL HG2 H 0.950 . . 414 305 50 VAL CA C 60.771 . . 415 305 50 VAL CB C 31.372 . . 416 305 50 VAL CG1 C 21.844 . . 417 305 50 VAL CG2 C 20.045 . . 418 305 50 VAL N N 110.762 . . 419 306 51 ASN H H 7.966 . . 420 306 51 ASN CA C 53.847 . . 421 306 51 ASN CB C 36.932 . . 422 306 51 ASN N N 118.645 . . 423 307 52 ILE H H 7.666 . . 424 307 52 ILE HB H 1.491 . . 425 307 52 ILE HG12 H 1.494 . . 426 307 52 ILE HG13 H 1.308 . . 427 307 52 ILE HG2 H 0.653 . . 428 307 52 ILE HD1 H 0.715 . . 429 307 52 ILE CA C 58.577 . . 430 307 52 ILE CB C 42.074 . . 431 307 52 ILE CG1 C 28.949 . . 432 307 52 ILE CG2 C 16.745 . . 433 307 52 ILE CD1 C 14.287 . . 434 307 52 ILE N N 118.311 . . 435 308 53 ASP H H 7.984 . . 436 308 53 ASP HA H 4.500 . . 437 308 53 ASP HB2 H 2.660 . . 438 308 53 ASP HB3 H 2.348 . . 439 308 53 ASP CA C 54.635 . . 440 308 53 ASP CB C 43.164 . . 441 308 53 ASP N N 126.474 . . 442 309 54 ARG H H 8.497 . . 443 309 54 ARG HA H 3.384 . . 444 309 54 ARG HB2 H 1.890 . . 445 309 54 ARG HB3 H 1.766 . . 446 309 54 ARG HG2 H 1.781 . . 447 309 54 ARG HG3 H 1.728 . . 448 309 54 ARG HD2 H 3.394 . . 449 309 54 ARG HD3 H 3.301 . . 450 309 54 ARG CA C 59.158 . . 451 309 54 ARG CB C 30.811 . . 452 309 54 ARG CG C 26.584 . . 453 309 54 ARG CD C 44.540 . . 454 309 54 ARG N N 124.660 . . 455 310 55 SER CA C 61.722 . . 456 311 56 ARG H H 7.956 . . 457 311 56 ARG HA H 4.070 . . 458 311 56 ARG HB2 H 1.823 . . 459 311 56 ARG HB3 H 1.823 . . 460 311 56 ARG HG2 H 1.768 . . 461 311 56 ARG HG3 H 1.567 . . 462 311 56 ARG HD2 H 3.150 . . 463 311 56 ARG HD3 H 3.150 . . 464 311 56 ARG CA C 58.615 . . 465 311 56 ARG CB C 29.851 . . 466 311 56 ARG CG C 27.346 . . 467 311 56 ARG CD C 42.987 . . 468 311 56 ARG N N 124.826 . . 469 312 57 GLY H H 8.582 . . 470 312 57 GLY HA2 H 3.318 . . 471 312 57 GLY HA3 H 2.714 . . 472 312 57 GLY CA C 48.036 . . 473 312 57 GLY N N 107.194 . . 474 313 58 ASP H H 7.745 . . 475 313 58 ASP HA H 4.455 . . 476 313 58 ASP HB2 H 2.942 . . 477 313 58 ASP HB3 H 2.609 . . 478 313 58 ASP CA C 57.360 . . 479 313 58 ASP CB C 40.515 . . 480 313 58 ASP N N 119.488 . . 481 314 59 TRP H H 7.586 . . 482 314 59 TRP HA H 4.183 . . 483 314 59 TRP HB2 H 3.292 . . 484 314 59 TRP HD1 H 6.438 . . 485 314 59 TRP HE1 H 10.081 . . 486 314 59 TRP HE3 H 7.425 . . 487 314 59 TRP HZ2 H 7.413 . . 488 314 59 TRP HZ3 H 7.050 . . 489 314 59 TRP HH2 H 6.844 . . 490 314 59 TRP CA C 60.136 . . 491 314 59 TRP CB C 29.411 . . 492 314 59 TRP CD1 C 126.445 . . 493 314 59 TRP CE3 C 120.515 . . 494 314 59 TRP CZ2 C 114.904 . . 495 314 59 TRP CZ3 C 120.822 . . 496 314 59 TRP CH2 C 123.181 . . 497 314 59 TRP N N 118.093 . . 498 314 59 TRP NE1 N 129.397 . . 499 315 60 HIS H H 7.973 . . 500 315 60 HIS HA H 4.015 . . 501 315 60 HIS HB2 H 3.037 . . 502 315 60 HIS HB3 H 2.930 . . 503 315 60 HIS HD2 H 6.923 . . 504 315 60 HIS HE1 H 7.805 . . 505 315 60 HIS CA C 60.088 . . 506 315 60 HIS CB C 31.063 . . 507 315 60 HIS CD2 C 121.457 . . 508 315 60 HIS N N 113.259 . . 509 316 61 VAL H H 8.751 . . 510 316 61 VAL HA H 3.516 . . 511 316 61 VAL HB H 2.217 . . 512 316 61 VAL HG1 H 1.095 . . 513 316 61 VAL HG2 H 0.819 . . 514 316 61 VAL CA C 67.511 . . 515 316 61 VAL CB C 31.553 . . 516 316 61 VAL CG1 C 23.224 . . 517 316 61 VAL CG2 C 22.386 . . 518 316 61 VAL N N 119.912 . . 519 317 62 ILE H H 8.880 . . 520 317 62 ILE HA H 3.373 . . 521 317 62 ILE HB H 1.733 . . 522 317 62 ILE HG12 H 2.124 . . 523 317 62 ILE HG13 H 0.811 . . 524 317 62 ILE HG2 H 0.722 . . 525 317 62 ILE HD1 H 0.819 . . 526 317 62 ILE CA C 67.468 . . 527 317 62 ILE CB C 37.654 . . 528 317 62 ILE CG1 C 30.975 . . 529 317 62 ILE CG2 C 17.812 . . 530 317 62 ILE CD1 C 13.765 . . 531 317 62 ILE N N 119.367 . . 532 318 63 LEU H H 7.980 . . 533 318 63 LEU HA H 3.500 . . 534 318 63 LEU HB2 H 1.134 . . 535 318 63 LEU HB3 H 1.083 . . 536 318 63 LEU HG H 0.896 . . 537 318 63 LEU HD1 H 0.373 . . 538 318 63 LEU HD2 H 0.149 . . 539 318 63 LEU CA C 58.499 . . 540 318 63 LEU CB C 41.945 . . 541 318 63 LEU CG C 26.810 . . 542 318 63 LEU CD1 C 24.051 . . 543 318 63 LEU CD2 C 24.016 . . 544 318 63 LEU N N 118.345 . . 545 319 64 TYR H H 7.491 . . 546 319 64 TYR HA H 3.804 . . 547 319 64 TYR HB2 H 3.107 . . 548 319 64 TYR HB3 H 3.107 . . 549 319 64 TYR HD1 H 6.865 . . 550 319 64 TYR HD2 H 6.865 . . 551 319 64 TYR HE1 H 6.440 . . 552 319 64 TYR HE2 H 6.440 . . 553 319 64 TYR CA C 62.929 . . 554 319 64 TYR CB C 39.147 . . 555 319 64 TYR CD1 C 132.981 . . 556 319 64 TYR CD2 C 132.981 . . 557 319 64 TYR CE1 C 117.989 . . 558 319 64 TYR CE2 C 117.989 . . 559 319 64 TYR N N 117.248 . . 560 320 65 LEU H H 8.663 . . 561 320 65 LEU HA H 3.824 . . 562 320 65 LEU HB2 H 1.966 . . 563 320 65 LEU HB3 H 1.492 . . 564 320 65 LEU HG H 0.795 . . 565 320 65 LEU HD1 H 2.075 . . 566 320 65 LEU HD2 H 0.754 . . 567 320 65 LEU CA C 58.590 . . 568 320 65 LEU CB C 40.538 . . 569 320 65 LEU CG C 28.032 . . 570 320 65 LEU CD1 C 26.805 . . 571 320 65 LEU CD2 C 22.252 . . 572 320 65 LEU N N 120.334 . . 573 321 66 MET H H 8.720 . . 574 321 66 MET HB2 H 2.008 . . 575 321 66 MET HB3 H 1.874 . . 576 321 66 MET HG2 H 3.053 . . 577 321 66 MET HG3 H 2.324 . . 578 321 66 MET HE H 1.992 . . 579 321 66 MET CA C 60.190 . . 580 321 66 MET CB C 33.883 . . 581 321 66 MET CG C 34.452 . . 582 321 66 MET CE C 19.500 . . 583 321 66 MET N N 118.678 . . 584 322 67 LYS H H 8.095 . . 585 322 67 LYS HA H 3.733 . . 586 322 67 LYS HB2 H 1.606 . . 587 322 67 LYS HB3 H 1.491 . . 588 322 67 LYS HG2 H 1.386 . . 589 322 67 LYS HG3 H 0.901 . . 590 322 67 LYS HD2 H 1.305 . . 591 322 67 LYS HD3 H 1.171 . . 592 322 67 LYS CA C 59.104 . . 593 322 67 LYS CB C 32.126 . . 594 322 67 LYS CG C 26.697 . . 595 322 67 LYS CD C 29.478 . . 596 322 67 LYS N N 118.316 . . 597 323 68 HIS H H 7.527 . . 598 323 68 HIS HA H 4.275 . . 599 323 68 HIS HB2 H 3.469 . . 600 323 68 HIS HB3 H 2.563 . . 601 323 68 HIS HD2 H 6.717 . . 602 323 68 HIS HE1 H 7.447 . . 603 323 68 HIS CA C 57.210 . . 604 323 68 HIS CB C 28.503 . . 605 323 68 HIS CD2 C 121.426 . . 606 323 68 HIS N N 116.737 . . 607 324 69 GLY H H 7.644 . . 608 324 69 GLY HA2 H 4.154 . . 609 324 69 GLY HA3 H 3.736 . . 610 324 69 GLY CA C 45.749 . . 611 324 69 GLY N N 106.756 . . 612 325 70 VAL H H 8.178 . . 613 325 70 VAL HB H 2.053 . . 614 325 70 VAL HG1 H 0.752 . . 615 325 70 VAL HG2 H 0.810 . . 616 325 70 VAL CA C 60.908 . . 617 325 70 VAL CB C 30.037 . . 618 325 70 VAL CG1 C 20.991 . . 619 325 70 VAL CG2 C 20.227 . . 620 325 70 VAL N N 124.236 . . 621 326 71 THR H H 7.934 . . 622 326 71 THR HA H 4.377 . . 623 326 71 THR HG2 H 0.822 . . 624 326 71 THR CA C 60.769 . . 625 326 71 THR CB C 68.097 . . 626 326 71 THR CG2 C 22.340 . . 627 326 71 THR N N 110.628 . . 628 327 72 ASP H H 7.532 . . 629 327 72 ASP HA H 4.140 . . 630 327 72 ASP N N 120.796 . . 631 328 73 PRO HB2 H 2.174 . . 632 328 73 PRO HB3 H 2.105 . . 633 328 73 PRO HG2 H 1.862 . . 634 328 73 PRO HG3 H 1.649 . . 635 328 73 PRO CA C 65.375 . . 636 328 73 PRO CB C 32.809 . . 637 328 73 PRO CG C 27.858 . . 638 328 73 PRO CD C 50.405 . . 639 329 74 ASP H H 8.117 . . 640 329 74 ASP HA H 4.423 . . 641 329 74 ASP HB2 H 2.610 . . 642 329 74 ASP HB3 H 2.545 . . 643 329 74 ASP CA C 57.540 . . 644 329 74 ASP CB C 40.439 . . 645 329 74 ASP N N 115.257 . . 646 330 75 LYS H H 7.382 . . 647 330 75 LYS HB2 H 1.748 . . 648 330 75 LYS HB3 H 1.403 . . 649 330 75 LYS HG2 H 1.367 . . 650 330 75 LYS HG3 H 1.260 . . 651 330 75 LYS HD2 H 1.718 . . 652 330 75 LYS HD3 H 1.718 . . 653 330 75 LYS HE2 H 2.826 . . 654 330 75 LYS HE3 H 2.826 . . 655 330 75 LYS CA C 59.537 . . 656 330 75 LYS CB C 33.169 . . 657 330 75 LYS CG C 26.414 . . 658 330 75 LYS CD C 29.948 . . 659 330 75 LYS CE C 42.134 . . 660 330 75 LYS N N 121.073 . . 661 331 76 ILE H H 7.617 . . 662 331 76 ILE HA H 3.977 . . 663 331 76 ILE HB H 1.815 . . 664 331 76 ILE HG12 H 0.715 . . 665 331 76 ILE HG13 H 0.700 . . 666 331 76 ILE HG2 H 0.889 . . 667 331 76 ILE HD1 H 0.691 . . 668 331 76 ILE CA C 66.252 . . 669 331 76 ILE CB C 38.285 . . 670 331 76 ILE CG1 C 29.876 . . 671 331 76 ILE CG2 C 18.023 . . 672 331 76 ILE CD1 C 13.600 . . 673 331 76 ILE N N 116.723 . . 674 332 77 LEU H H 7.991 . . 675 332 77 LEU HB2 H 1.577 . . 676 332 77 LEU HB3 H 1.550 . . 677 332 77 LEU HG H 1.375 . . 678 332 77 LEU HD1 H 0.382 . . 679 332 77 LEU HD2 H 0.273 . . 680 332 77 LEU CA C 58.145 . . 681 332 77 LEU CB C 41.813 . . 682 332 77 LEU CG C 26.474 . . 683 332 77 LEU CD1 C 24.650 . . 684 332 77 LEU CD2 C 23.970 . . 685 332 77 LEU N N 116.146 . . 686 333 78 GLU H H 7.081 . . 687 333 78 GLU HA H 3.637 . . 688 333 78 GLU HB2 H 2.099 . . 689 333 78 GLU HB3 H 1.986 . . 690 333 78 GLU HG2 H 2.289 . . 691 333 78 GLU HG3 H 2.188 . . 692 333 78 GLU CA C 58.795 . . 693 333 78 GLU CB C 29.494 . . 694 333 78 GLU CG C 36.224 . . 695 333 78 GLU N N 115.941 . . 696 334 79 LEU H H 7.290 . . 697 334 79 LEU HA H 4.031 . . 698 334 79 LEU HB2 H 1.763 . . 699 334 79 LEU HB3 H 1.325 . . 700 334 79 LEU HG H 1.637 . . 701 334 79 LEU HD1 H 0.771 . . 702 334 79 LEU HD2 H 0.797 . . 703 334 79 LEU CA C 55.672 . . 704 334 79 LEU CB C 43.015 . . 705 334 79 LEU CG C 27.525 . . 706 334 79 LEU CD1 C 26.929 . . 707 334 79 LEU CD2 C 24.080 . . 708 334 79 LEU N N 118.038 . . 709 335 80 LEU H H 7.104 . . 710 335 80 LEU HA H 4.262 . . 711 335 80 LEU N N 119.370 . . 712 336 81 PRO HB2 H 2.258 . . 713 336 81 PRO HB3 H 1.852 . . 714 336 81 PRO HG2 H 1.773 . . 715 336 81 PRO HG3 H 1.728 . . 716 336 81 PRO CA C 62.259 . . 717 336 81 PRO CB C 33.778 . . 718 336 81 PRO CG C 26.602 . . 719 336 81 PRO CD C 49.625 . . 720 337 82 ARG H H 8.494 . . 721 337 82 ARG HA H 3.850 . . 722 337 82 ARG HB2 H 1.727 . . 723 337 82 ARG HB3 H 1.659 . . 724 337 82 ARG HG2 H 1.531 . . 725 337 82 ARG HG3 H 1.490 . . 726 337 82 ARG HD2 H 3.085 . . 727 337 82 ARG HD3 H 3.085 . . 728 337 82 ARG CA C 58.256 . . 729 337 82 ARG CB C 30.041 . . 730 337 82 ARG CG C 26.562 . . 731 337 82 ARG CD C 43.219 . . 732 337 82 ARG N N 115.035 . . 733 338 83 ASP H H 8.067 . . 734 338 83 ASP HA H 4.572 . . 735 338 83 ASP HB2 H 3.085 . . 736 338 83 ASP HB3 H 2.398 . . 737 338 83 ASP CA C 52.126 . . 738 338 83 ASP CB C 38.887 . . 739 338 83 ASP N N 113.806 . . 740 339 84 SER H H 7.370 . . 741 339 84 SER N N 111.663 . . 742 340 85 LYS H H 9.092 . . 743 340 85 LYS HB2 H 1.152 . . 744 340 85 LYS HB3 H 1.109 . . 745 340 85 LYS HG2 H 1.014 . . 746 340 85 LYS HG3 H 0.916 . . 747 340 85 LYS CA C 59.071 . . 748 340 85 LYS CB C 31.672 . . 749 340 85 LYS CG C 25.115 . . 750 340 85 LYS N N 132.981 . . 751 341 86 ALA H H 8.504 . . 752 341 86 ALA HB H 1.047 . . 753 341 86 ALA CA C 53.334 . . 754 341 86 ALA CB C 19.253 . . 755 341 86 ALA N N 118.913 . . 756 342 87 LYS H H 7.089 . . 757 342 87 LYS HA H 4.246 . . 758 342 87 LYS HB2 H 1.939 . . 759 342 87 LYS HB3 H 1.481 . . 760 342 87 LYS HG2 H 1.091 . . 761 342 87 LYS HG3 H 1.009 . . 762 342 87 LYS HD2 H 1.550 . . 763 342 87 LYS HD3 H 1.443 . . 764 342 87 LYS HE2 H 2.683 . . 765 342 87 LYS HE3 H 2.662 . . 766 342 87 LYS CA C 55.281 . . 767 342 87 LYS CB C 32.560 . . 768 342 87 LYS CG C 26.202 . . 769 342 87 LYS CD C 28.455 . . 770 342 87 LYS CE C 42.903 . . 771 342 87 LYS N N 112.888 . . 772 343 88 GLU H H 6.945 . . 773 343 88 GLU HA H 4.091 . . 774 343 88 GLU HG2 H 2.255 . . 775 343 88 GLU HG3 H 2.178 . . 776 343 88 GLU CA C 57.588 . . 777 343 88 GLU CG C 36.310 . . 778 343 88 GLU N N 119.569 . . 779 344 89 ASN H H 7.980 . . 780 344 89 ASN CB C 38.928 . . 781 345 90 GLU H H 8.497 . . 782 345 90 GLU CA C 56.621 . . 783 345 90 GLU CB C 29.492 . . 784 345 90 GLU CG C 36.234 . . 785 345 90 GLU N N 119.574 . . 786 346 91 LYS H H 8.159 . . 787 346 91 LYS N N 121.139 . . 788 347 92 TRP HD1 H 7.232 . . 789 347 92 TRP HE1 H 10.148 . . 790 347 92 TRP HE3 H 7.537 . . 791 347 92 TRP HZ2 H 7.421 . . 792 347 92 TRP HZ3 H 6.990 . . 793 347 92 TRP HH2 H 7.079 . . 794 347 92 TRP CD1 C 127.516 . . 795 347 92 TRP CE3 C 121.192 . . 796 347 92 TRP CZ2 C 114.641 . . 797 347 92 TRP CZ3 C 121.629 . . 798 347 92 TRP CH2 C 124.316 . . 799 347 92 TRP NE1 N 129.344 . . 800 348 93 ASN H H 6.870 . . 801 348 93 ASN HB2 H 3.203 . . 802 348 93 ASN HB3 H 2.949 . . 803 348 93 ASN CB C 37.782 . . 804 349 94 THR H H 7.787 . . 805 349 94 THR HA H 4.188 . . 806 349 94 THR HG2 H 1.180 . . 807 349 94 THR CG2 C 22.692 . . 808 349 94 THR N N 116.339 . . 809 350 95 GLN H H 7.935 . . 810 350 95 GLN HG2 H 2.324 . . 811 350 95 GLN HG3 H 2.270 . . 812 350 95 GLN CA C 57.987 . . 813 350 95 GLN CG C 34.081 . . 814 350 95 GLN N N 121.445 . . 815 351 96 LYS H H 8.109 . . 816 351 96 LYS HB2 H 1.640 . . 817 351 96 LYS HB3 H 1.491 . . 818 351 96 LYS HG2 H 1.264 . . 819 351 96 LYS HG3 H 1.248 . . 820 351 96 LYS HE2 H 2.853 . . 821 351 96 LYS HE3 H 2.853 . . 822 351 96 LYS CA C 58.887 . . 823 351 96 LYS CB C 32.083 . . 824 351 96 LYS CG C 24.992 . . 825 351 96 LYS CE C 42.114 . . 826 351 96 LYS N N 118.268 . . 827 352 97 TYR H H 7.792 . . 828 352 97 TYR HA H 4.088 . . 829 352 97 TYR HB2 H 3.207 . . 830 352 97 TYR HB3 H 2.952 . . 831 352 97 TYR HD1 H 6.878 . . 832 352 97 TYR HD2 H 6.878 . . 833 352 97 TYR HE1 H 6.728 . . 834 352 97 TYR HE2 H 6.728 . . 835 352 97 TYR CA C 61.035 . . 836 352 97 TYR CB C 37.747 . . 837 352 97 TYR CD1 C 132.509 . . 838 352 97 TYR CD2 C 132.509 . . 839 352 97 TYR CE1 C 118.362 . . 840 352 97 TYR CE2 C 118.362 . . 841 352 97 TYR N N 118.346 . . 842 353 98 PHE H H 8.492 . . 843 353 98 PHE HA H 4.145 . . 844 353 98 PHE HB2 H 3.219 . . 845 353 98 PHE HB3 H 3.159 . . 846 353 98 PHE HD1 H 7.033 . . 847 353 98 PHE HD2 H 7.070 . . 848 353 98 PHE HE1 H 7.194 . . 849 353 98 PHE HE2 H 7.081 . . 850 353 98 PHE HZ H 7.000 . . 851 353 98 PHE CA C 59.638 . . 852 353 98 PHE CB C 39.241 . . 853 353 98 PHE CD1 C 131.143 . . 854 353 98 PHE CD2 C 131.067 . . 855 353 98 PHE CE1 C 132.147 . . 856 353 98 PHE CE2 C 130.632 . . 857 353 98 PHE CZ C 128.918 . . 858 353 98 PHE N N 122.536 . . 859 354 99 VAL H H 8.103 . . 860 354 99 VAL HA H 3.043 . . 861 354 99 VAL HB H 1.731 . . 862 354 99 VAL HG1 H 0.556 . . 863 354 99 VAL HG2 H 0.575 . . 864 354 99 VAL CA C 66.620 . . 865 354 99 VAL CB C 31.223 . . 866 354 99 VAL CG1 C 21.932 . . 867 354 99 VAL CG2 C 21.279 . . 868 354 99 VAL N N 116.453 . . 869 355 100 ILE H H 8.174 . . 870 355 100 ILE HA H 3.607 . . 871 355 100 ILE HB H 1.779 . . 872 355 100 ILE HG12 H 1.562 . . 873 355 100 ILE HG13 H 1.116 . . 874 355 100 ILE HG2 H 0.813 . . 875 355 100 ILE HD1 H 0.754 . . 876 355 100 ILE CA C 65.073 . . 877 355 100 ILE CB C 37.435 . . 878 355 100 ILE CG1 C 29.313 . . 879 355 100 ILE CG2 C 17.185 . . 880 355 100 ILE CD1 C 13.268 . . 881 355 100 ILE N N 120.808 . . 882 356 101 THR H H 7.829 . . 883 356 101 THR HA H 3.719 . . 884 356 101 THR HG2 H 1.226 . . 885 356 101 THR CA C 68.140 . . 886 356 101 THR CB C 68.301 . . 887 356 101 THR CG2 C 21.637 . . 888 356 101 THR N N 118.628 . . 889 357 102 LEU H H 8.482 . . 890 357 102 LEU HA H 3.718 . . 891 357 102 LEU HB2 H 1.644 . . 892 357 102 LEU HB3 H 0.901 . . 893 357 102 LEU HG H 0.030 . . 894 357 102 LEU HD1 H 0.439 . . 895 357 102 LEU HD2 H 0.439 . . 896 357 102 LEU CA C 58.249 . . 897 357 102 LEU CB C 42.577 . . 898 357 102 LEU CG C 25.530 . . 899 357 102 LEU CD1 C 23.404 . . 900 357 102 LEU CD2 C 23.404 . . 901 357 102 LEU N N 120.398 . . 902 358 103 SER H H 8.136 . . 903 358 103 SER HA H 4.094 . . 904 358 103 SER CA C 61.854 . . 905 358 103 SER CB C 62.973 . . 906 358 103 SER N N 112.879 . . 907 359 104 LYS H H 8.268 . . 908 359 104 LYS HA H 4.133 . . 909 359 104 LYS HB2 H 2.113 . . 910 359 104 LYS HB3 H 2.065 . . 911 359 104 LYS HG2 H 1.674 . . 912 359 104 LYS HG3 H 1.461 . . 913 359 104 LYS HE2 H 2.669 . . 914 359 104 LYS HE3 H 2.669 . . 915 359 104 LYS CA C 59.704 . . 916 359 104 LYS CB C 32.889 . . 917 359 104 LYS CG C 25.546 . . 918 359 104 LYS N N 122.759 . . 919 360 105 ALA H H 8.851 . . 920 360 105 ALA HA H 3.930 . . 921 360 105 ALA HB H 1.173 . . 922 360 105 ALA CA C 55.372 . . 923 360 105 ALA CB C 18.440 . . 924 360 105 ALA N N 123.707 . . 925 361 106 TRP H H 8.867 . . 926 361 106 TRP HB2 H 3.234 . . 927 361 106 TRP HB3 H 3.192 . . 928 361 106 TRP HD1 H 7.035 . . 929 361 106 TRP HE1 H 10.003 . . 930 361 106 TRP HE3 H 7.567 . . 931 361 106 TRP HZ2 H 7.191 . . 932 361 106 TRP HZ3 H 6.725 . . 933 361 106 TRP HH2 H 6.815 . . 934 361 106 TRP CA C 58.556 . . 935 361 106 TRP CB C 30.499 . . 936 361 106 TRP CD1 C 126.791 . . 937 361 106 TRP CE3 C 122.048 . . 938 361 106 TRP CZ2 C 113.434 . . 939 361 106 TRP CZ3 C 120.798 . . 940 361 106 TRP CH2 C 123.162 . . 941 361 106 TRP N N 119.182 . . 942 361 106 TRP NE1 N 126.977 . . 943 362 107 SER H H 7.715 . . 944 362 107 SER HA H 3.803 . . 945 362 107 SER CA C 62.066 . . 946 362 107 SER CB C 62.971 . . 947 362 107 SER N N 111.614 . . 948 363 108 VAL H H 7.218 . . 949 363 108 VAL HA H 3.717 . . 950 363 108 VAL HB H 2.298 . . 951 363 108 VAL HG1 H 1.229 . . 952 363 108 VAL HG2 H 0.919 . . 953 363 108 VAL CA C 65.696 . . 954 363 108 VAL CB C 32.063 . . 955 363 108 VAL CG1 C 22.379 . . 956 363 108 VAL CG2 C 21.379 . . 957 363 108 VAL N N 120.008 . . 958 364 109 VAL H H 8.129 . . 959 364 109 VAL HA H 3.477 . . 960 364 109 VAL HB H 1.927 . . 961 364 109 VAL HG1 H 0.910 . . 962 364 109 VAL HG2 H 0.765 . . 963 364 109 VAL CA C 65.910 . . 964 364 109 VAL CB C 31.744 . . 965 364 109 VAL CG1 C 23.838 . . 966 364 109 VAL CG2 C 21.943 . . 967 364 109 VAL N N 119.826 . . 968 365 110 LYS H H 8.385 . . 969 365 110 LYS HA H 3.087 . . 970 365 110 LYS HB2 H 0.573 . . 971 365 110 LYS HB3 H 0.573 . . 972 365 110 LYS HG2 H 0.799 . . 973 365 110 LYS HG3 H 0.573 . . 974 365 110 LYS HD2 H 1.161 . . 975 365 110 LYS HD3 H 1.161 . . 976 365 110 LYS HE2 H 2.684 . . 977 365 110 LYS HE3 H 2.601 . . 978 365 110 LYS CA C 59.520 . . 979 365 110 LYS CB C 30.746 . . 980 365 110 LYS CG C 24.051 . . 981 365 110 LYS CD C 29.294 . . 982 365 110 LYS CE C 41.721 . . 983 365 110 LYS N N 119.987 . . 984 366 111 LYS H H 6.859 . . 985 366 111 LYS HA H 3.904 . . 986 366 111 LYS HB2 H 1.600 . . 987 366 111 LYS HB3 H 1.600 . . 988 366 111 LYS HG2 H 2.010 . . 989 366 111 LYS HG3 H 1.174 . . 990 366 111 LYS HD2 H 1.515 . . 991 366 111 LYS HD3 H 1.515 . . 992 366 111 LYS HE2 H 2.829 . . 993 366 111 LYS HE3 H 2.829 . . 994 366 111 LYS CA C 57.942 . . 995 366 111 LYS CB C 31.899 . . 996 366 111 LYS CG C 24.605 . . 997 366 111 LYS CD C 29.021 . . 998 366 111 LYS CE C 42.001 . . 999 366 111 LYS N N 116.145 . . 1000 367 112 TYR H H 7.514 . . 1001 367 112 TYR HB2 H 3.145 . . 1002 367 112 TYR HB3 H 2.924 . . 1003 367 112 TYR HD1 H 7.047 . . 1004 367 112 TYR HD2 H 7.047 . . 1005 367 112 TYR HE1 H 6.722 . . 1006 367 112 TYR HE2 H 6.722 . . 1007 367 112 TYR CA C 59.037 . . 1008 367 112 TYR CB C 38.017 . . 1009 367 112 TYR CD1 C 133.059 . . 1010 367 112 TYR CD2 C 133.059 . . 1011 367 112 TYR CE1 C 118.257 . . 1012 367 112 TYR CE2 C 118.257 . . 1013 367 112 TYR N N 118.569 . . 1014 368 113 LEU H H 7.684 . . 1015 368 113 LEU HA H 4.098 . . 1016 368 113 LEU HB2 H 1.604 . . 1017 368 113 LEU HB3 H 1.488 . . 1018 368 113 LEU HG H 1.656 . . 1019 368 113 LEU HD1 H 1.600 . . 1020 368 113 LEU HD2 H 0.816 . . 1021 368 113 LEU CA C 55.482 . . 1022 368 113 LEU CB C 42.499 . . 1023 368 113 LEU CG C 26.648 . . 1024 368 113 LEU CD1 C 25.621 . . 1025 368 113 LEU CD2 C 22.501 . . 1026 368 113 LEU N N 119.213 . . 1027 369 114 GLU H H 7.699 . . 1028 369 114 GLU HA H 4.134 . . 1029 369 114 GLU HB2 H 1.987 . . 1030 369 114 GLU HB3 H 1.844 . . 1031 369 114 GLU HG2 H 2.236 . . 1032 369 114 GLU HG3 H 2.133 . . 1033 369 114 GLU CA C 56.387 . . 1034 369 114 GLU CB C 29.940 . . 1035 369 114 GLU CG C 36.306 . . 1036 369 114 GLU N N 119.446 . . 1037 370 115 ALA H H 7.519 . . 1038 370 115 ALA HA H 3.992 . . 1039 370 115 ALA HB H 1.241 . . 1040 370 115 ALA CB C 20.040 . . 1041 370 115 ALA N N 129.507 . . stop_ save_