data_15511 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H,13C and 15N chemical shift assignments for stereo-array isotope labelled (SAIL) C-terminal dimerization domain of SARS coronavirus nucleocapsid protein ; _BMRB_accession_number 15511 _BMRB_flat_file_name bmr15511.str _Entry_type original _Submission_date 2007-10-06 _Accession_date 2007-10-06 _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 Takeda Mitsuhiro . . 2 Chang Chung-ke . . 3 Ikeya Teppei . . 4 Guntert Peter . . 5 Chang Yuan-hsiang . . 6 Hsu Yen-lan . . 7 Huang Tai-huang . . 8 Kainosho Masatsune . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 489 "13C chemical shifts" 347 "15N chemical shifts" 123 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-07-03 update BMRB 'complete entry citation' 2008-06-26 original author 'original release' stop_ _Original_release_date 2007-10-08 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution Structure of the C-terminal Dimerization Domain of SARS Coronavirus Nucleocapsid Protein Solved by the SAIL-NMR Method ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18561946 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Takeda Mitsuhiro . . 2 Chang Chung-ke . . 3 Ikeya Teppei . . 4 Guntert Peter . . 5 Chang Yuan-hsiang . . 6 Hsu Yen-lan . . 7 Huang Tai-huang . . 8 Kainosho Masatsune . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 380 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 608 _Page_last 622 _Year 2008 _Details . loop_ _Keyword NMR SAIL 'SARS nucleocapsid protein' 'nucleocapsid packaging' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'C-terminal dimerization domain of SARS coronavirus nucleocapsid protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label subunit1 $SARS_coronavirus_nucleocapsid_protein_residues_248-365 subunit2 $SARS_coronavirus_nucleocapsid_protein_residues_248-365 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 subunit1 1 subunit2 stop_ loop_ _Biological_function dimerization stop_ _Database_query_date . _Details 'homo dimer' save_ ######################## # Monomeric polymers # ######################## save_SARS_coronavirus_nucleocapsid_protein_residues_248-365 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SARS_coronavirus_nucleocapsid_protein_residues_248-365 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 128 _Mol_residue_sequence ; MHHHHHHAMGTKKSAAEASK KPRQKRTATKQYNVTQAFGR RGPEQTQGNFGDQDLIRQGT DYKHWPQIAQFAPSASAFFG MSRIGMEVTPSGTWLTYHGA IKLDDKDPQFKDNVILLNKH IDAYKTFP ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -9 MET 2 -8 HIS 3 -7 HIS 4 -6 HIS 5 -5 HIS 6 -4 HIS 7 -3 HIS 8 -2 ALA 9 -1 MET 10 0 GLY 11 248 THR 12 249 LYS 13 250 LYS 14 251 SER 15 252 ALA 16 253 ALA 17 254 GLU 18 255 ALA 19 256 SER 20 257 LYS 21 258 LYS 22 259 PRO 23 260 ARG 24 261 GLN 25 262 LYS 26 263 ARG 27 264 THR 28 265 ALA 29 266 THR 30 267 LYS 31 268 GLN 32 269 TYR 33 270 ASN 34 271 VAL 35 272 THR 36 273 GLN 37 274 ALA 38 275 PHE 39 276 GLY 40 277 ARG 41 278 ARG 42 279 GLY 43 280 PRO 44 281 GLU 45 282 GLN 46 283 THR 47 284 GLN 48 285 GLY 49 286 ASN 50 287 PHE 51 288 GLY 52 289 ASP 53 290 GLN 54 291 ASP 55 292 LEU 56 293 ILE 57 294 ARG 58 295 GLN 59 296 GLY 60 297 THR 61 298 ASP 62 299 TYR 63 300 LYS 64 301 HIS 65 302 TRP 66 303 PRO 67 304 GLN 68 305 ILE 69 306 ALA 70 307 GLN 71 308 PHE 72 309 ALA 73 310 PRO 74 311 SER 75 312 ALA 76 313 SER 77 314 ALA 78 315 PHE 79 316 PHE 80 317 GLY 81 318 MET 82 319 SER 83 320 ARG 84 321 ILE 85 322 GLY 86 323 MET 87 324 GLU 88 325 VAL 89 326 THR 90 327 PRO 91 328 SER 92 329 GLY 93 330 THR 94 331 TRP 95 332 LEU 96 333 THR 97 334 TYR 98 335 HIS 99 336 GLY 100 337 ALA 101 338 ILE 102 339 LYS 103 340 LEU 104 341 ASP 105 342 ASP 106 343 LYS 107 344 ASP 108 345 PRO 109 346 GLN 110 347 PHE 111 348 LYS 112 349 ASP 113 350 ASN 114 351 VAL 115 352 ILE 116 353 LEU 117 354 LEU 118 355 ASN 119 356 LYS 120 357 HIS 121 358 ILE 122 359 ASP 123 360 ALA 124 361 TYR 125 362 LYS 126 363 THR 127 364 PHE 128 365 PRO 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 $SARS_coronavirus_nucleocapsid_protein_residues_248-365 . 248485 Viruses . Coronavirus 'SARS coronavirus' 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 $SARS_coronavirus_nucleocapsid_protein_residues_248-365 'cell free synthesis' . . . . pET 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 $SARS_coronavirus_nucleocapsid_protein_residues_248-365 0.5 mM 'full SAIL isotope labeling' D2O 10 % . H2O 90 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.2 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ save_spectrometer_2 _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_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _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 5 mM pH 6.0 0.1 pH pressure 1 . atm temperature 303 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0 external indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 external direct . . . 1 DSS N 15 'methyl protons' ppm 0 external 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 'Systematic_chem_shift_offset: SAIL isotope labeling; all 13C.' loop_ _Software_label $CYANA stop_ loop_ _Experiment_label '3D HNCA' '3D HN(CO)CA' '3D HCCH-TOCSY' '3D HNCACB' '3D HBHA(CO)NH' '3D CBCA(CO)NH' 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 subunit1 _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 11 THR H H 8.038 0.020 1 2 248 11 THR HA H 4.292 0.020 1 3 248 11 THR HB H 4.179 0.020 1 4 248 11 THR HG2 H 1.133 0.020 1 5 248 11 THR CA C 62.025 0.200 1 6 248 11 THR CB C 69.924 0.200 1 7 248 11 THR CG2 C 21.479 0.200 1 8 248 11 THR N N 113.795 0.200 1 9 249 12 LYS H H 8.335 0.020 1 10 249 12 LYS HA H 4.212 0.020 1 11 249 12 LYS HB3 H 1.822 0.020 1 12 249 12 LYS HE2 H 2.888 0.020 1 13 249 12 LYS HG3 H 1.397 0.020 1 14 249 12 LYS CA C 56.573 0.200 1 15 249 12 LYS CB C 32.376 0.200 1 16 249 12 LYS CE C 41.802 0.200 1 17 249 12 LYS CG C 25.234 0.200 1 18 249 12 LYS N N 123.834 0.200 1 19 250 13 LYS H H 8.323 0.020 1 20 250 13 LYS HA H 4.266 0.020 1 21 250 13 LYS HB3 H 1.767 0.020 1 22 250 13 LYS HD3 H 1.596 0.020 1 23 250 13 LYS HE2 H 2.911 0.020 1 24 250 13 LYS HG3 H 1.389 0.020 1 25 250 13 LYS CA C 56.569 0.200 1 26 250 13 LYS CB C 32.540 0.200 1 27 250 13 LYS CD C 28.553 0.200 1 28 250 13 LYS CE C 41.794 0.200 1 29 250 13 LYS CG C 24.352 0.200 1 30 250 13 LYS N N 122.816 0.200 1 31 251 14 SER H H 8.305 0.020 1 32 251 14 SER HA H 4.345 0.020 1 33 251 14 SER HB2 H 3.804 0.020 1 34 251 14 SER CA C 58.430 0.200 1 35 251 14 SER CB C 63.671 0.200 1 36 251 14 SER N N 117.112 0.200 1 37 252 15 ALA H H 8.393 0.020 1 38 252 15 ALA HA H 4.153 0.020 1 39 252 15 ALA HB H 1.339 0.020 1 40 252 15 ALA CA C 53.215 0.200 1 41 252 15 ALA CB C 18.560 0.200 1 42 252 15 ALA N N 126.080 0.200 1 43 253 16 ALA H H 8.129 0.020 1 44 253 16 ALA HA H 4.126 0.020 1 45 253 16 ALA HB H 1.292 0.020 1 46 253 16 ALA CA C 53.209 0.200 1 47 253 16 ALA CB C 18.391 0.200 1 48 253 16 ALA N N 122.138 0.200 1 49 254 17 GLU H H 8.080 0.020 1 50 254 17 GLU HA H 4.056 0.020 1 51 254 17 GLU HB2 H 1.887 0.020 1 52 254 17 GLU HG2 H 2.170 0.020 1 53 254 17 GLU CA C 57.385 0.200 1 54 254 17 GLU CB C 29.761 0.200 1 55 254 17 GLU CG C 36.070 0.200 1 56 254 17 GLU N N 119.460 0.200 1 57 255 18 ALA H H 8.102 0.020 1 58 255 18 ALA HA H 4.024 0.020 1 59 255 18 ALA HB H 1.140 0.020 1 60 255 18 ALA CA C 53.847 0.200 1 61 255 18 ALA CB C 18.572 0.200 1 62 255 18 ALA N N 124.032 0.200 1 63 256 19 SER H H 7.733 0.020 1 64 256 19 SER HA H 4.237 0.020 1 65 256 19 SER HB2 H 3.649 0.020 1 66 256 19 SER CA C 58.986 0.200 1 67 256 19 SER CB C 63.342 0.200 1 68 256 19 SER N N 112.047 0.200 1 69 257 20 LYS H H 7.730 0.020 1 70 257 20 LYS HA H 4.242 0.020 1 71 257 20 LYS HB3 H 1.802 0.020 1 72 257 20 LYS HG3 H 1.427 0.020 1 73 257 20 LYS CA C 56.034 0.200 1 74 257 20 LYS CB C 32.236 0.200 1 75 257 20 LYS CG C 24.540 0.200 1 76 257 20 LYS N N 121.593 0.200 1 77 258 21 LYS H H 7.749 0.020 1 78 258 21 LYS HA H 4.485 0.020 1 79 258 21 LYS HB3 H 1.603 0.020 1 80 258 21 LYS HG3 H 1.479 0.020 1 81 258 21 LYS CA C 54.170 0.200 1 82 258 21 LYS CB C 32.065 0.200 1 83 258 21 LYS CG C 24.638 0.200 1 84 258 21 LYS N N 121.775 0.200 1 85 259 22 PRO HA H 4.445 0.020 1 86 259 22 PRO HB2 H 1.680 0.020 1 87 259 22 PRO HD3 H 3.450 0.020 1 88 259 22 PRO HG2 H 1.918 0.020 1 89 259 22 PRO CA C 62.987 0.200 1 90 259 22 PRO CB C 32.424 0.200 1 91 259 22 PRO CD C 50.571 0.200 1 92 259 22 PRO CG C 27.490 0.200 1 93 260 23 ARG H H 9.011 0.020 1 94 260 23 ARG HA H 3.534 0.020 1 95 260 23 ARG HB3 H 1.937 0.020 1 96 260 23 ARG HD2 H 3.426 0.020 1 97 260 23 ARG HG3 H 2.062 0.020 1 98 260 23 ARG CA C 61.357 0.200 1 99 260 23 ARG CB C 31.458 0.200 1 100 260 23 ARG CD C 43.925 0.200 1 101 260 23 ARG CG C 31.474 0.200 1 102 260 23 ARG N N 123.630 0.200 1 103 261 24 GLN H H 9.115 0.020 1 104 261 24 GLN HA H 4.410 0.020 1 105 261 24 GLN CA C 57.586 0.200 1 106 261 24 GLN N N 110.436 0.200 1 107 262 25 LYS H H 8.077 0.020 1 108 262 25 LYS HA H 4.641 0.020 1 109 262 25 LYS HB3 H 2.197 0.020 1 110 262 25 LYS HD3 H 1.648 0.020 1 111 262 25 LYS HG3 H 1.527 0.020 1 112 262 25 LYS CA C 53.035 0.200 1 113 262 25 LYS CB C 33.024 0.200 1 114 262 25 LYS CD C 27.204 0.200 1 115 262 25 LYS CG C 23.892 0.200 1 116 262 25 LYS N N 116.199 0.200 1 117 263 26 ARG H H 7.542 0.020 1 118 263 26 ARG HA H 4.235 0.020 1 119 263 26 ARG HB3 H 2.009 0.020 1 120 263 26 ARG CA C 57.747 0.200 1 121 263 26 ARG CB C 31.466 0.200 1 122 263 26 ARG N N 120.237 0.200 1 123 264 27 THR H H 8.398 0.020 1 124 264 27 THR HA H 4.353 0.020 1 125 264 27 THR HB H 3.930 0.020 1 126 264 27 THR HG2 H 1.141 0.020 1 127 264 27 THR CA C 62.460 0.200 1 128 264 27 THR CB C 71.215 0.200 1 129 264 27 THR CG2 C 22.014 0.200 1 130 264 27 THR N N 117.102 0.200 1 131 265 28 ALA H H 8.424 0.020 1 132 265 28 ALA HA H 5.090 0.020 1 133 265 28 ALA HB H 1.100 0.020 1 134 265 28 ALA CA C 50.934 0.200 1 135 265 28 ALA CB C 19.460 0.200 1 136 265 28 ALA N N 128.969 0.200 1 137 266 29 THR H H 8.927 0.020 1 138 266 29 THR HA H 4.476 0.020 1 139 266 29 THR HB H 4.657 0.020 1 140 266 29 THR HG2 H 1.021 0.020 1 141 266 29 THR CA C 61.099 0.200 1 142 266 29 THR CB C 73.582 0.200 1 143 266 29 THR CG2 C 21.263 0.200 1 144 266 29 THR N N 117.473 0.200 1 145 267 30 LYS H H 9.268 0.020 1 146 267 30 LYS HA H 4.521 0.020 1 147 267 30 LYS HB3 H 1.805 0.020 1 148 267 30 LYS HE2 H 2.925 0.020 1 149 267 30 LYS HG3 H 1.587 0.020 1 150 267 30 LYS CA C 59.070 0.200 1 151 267 30 LYS CB C 32.173 0.200 1 152 267 30 LYS CE C 41.497 0.200 1 153 267 30 LYS CG C 25.306 0.200 1 154 267 30 LYS N N 117.644 0.200 1 155 268 31 GLN H H 7.662 0.020 1 156 268 31 GLN HA H 4.257 0.020 1 157 268 31 GLN HB2 H 1.799 0.020 1 158 268 31 GLN HG2 H 2.356 0.020 1 159 268 31 GLN CA C 57.146 0.200 1 160 268 31 GLN CB C 29.126 0.200 1 161 268 31 GLN CG C 34.139 0.200 1 162 268 31 GLN N N 114.755 0.200 1 163 269 32 TYR H H 7.288 0.020 1 164 269 32 TYR HA H 4.714 0.020 1 165 269 32 TYR HB3 H 2.891 0.020 1 166 269 32 TYR HE1 H 6.354 0.020 3 167 269 32 TYR HE2 H 6.411 0.020 3 168 269 32 TYR CA C 56.407 0.200 1 169 269 32 TYR CB C 37.092 0.200 1 170 269 32 TYR CE1 C 117.390 0.200 3 171 269 32 TYR CE2 C 117.397 0.200 3 172 269 32 TYR N N 125.710 0.200 1 173 270 33 ASN H H 8.190 0.020 1 174 270 33 ASN N N 122.852 0.200 1 175 271 34 VAL H H 7.962 0.020 1 176 271 34 VAL HA H 3.390 0.020 1 177 271 34 VAL HB H 2.246 0.020 1 178 271 34 VAL HG2 H 0.979 0.020 1 179 271 34 VAL CA C 67.192 0.200 1 180 271 34 VAL CB C 31.464 0.200 1 181 271 34 VAL CG2 C 23.614 0.200 1 182 271 34 VAL N N 112.971 0.200 1 183 272 35 THR H H 7.176 0.020 1 184 272 35 THR HA H 3.707 0.020 1 185 272 35 THR HB H 4.080 0.020 1 186 272 35 THR HG2 H 1.035 0.020 1 187 272 35 THR CA C 65.409 0.200 1 188 272 35 THR CB C 67.708 0.200 1 189 272 35 THR CG2 C 22.604 0.200 1 190 272 35 THR N N 115.346 0.200 1 191 273 36 GLN H H 7.869 0.020 1 192 273 36 GLN HA H 3.721 0.020 1 193 273 36 GLN HB2 H 1.671 0.020 1 194 273 36 GLN HE21 H 6.872 0.020 2 195 273 36 GLN HE22 H 7.500 0.020 2 196 273 36 GLN HG2 H 2.206 0.020 1 197 273 36 GLN CA C 58.861 0.200 1 198 273 36 GLN CB C 28.689 0.200 1 199 273 36 GLN CG C 34.484 0.200 1 200 273 36 GLN N N 122.417 0.200 1 201 273 36 GLN NE2 N 111.779 0.200 1 202 274 37 ALA H H 8.105 0.020 1 203 274 37 ALA HA H 3.673 0.020 1 204 274 37 ALA HB H -0.239 0.020 1 205 274 37 ALA CA C 54.126 0.200 1 206 274 37 ALA CB C 17.520 0.200 1 207 274 37 ALA N N 119.110 0.200 1 208 275 38 PHE H H 8.194 0.020 1 209 275 38 PHE HA H 5.037 0.020 1 210 275 38 PHE HB3 H 3.256 0.020 1 211 275 38 PHE HE1 H 7.129 0.020 3 212 275 38 PHE HE2 H 7.986 0.020 3 213 275 38 PHE CA C 56.224 0.200 1 214 275 38 PHE CB C 40.723 0.200 1 215 275 38 PHE CE1 C 131.742 0.200 3 216 275 38 PHE CE2 C 132.384 0.200 3 217 275 38 PHE N N 110.371 0.200 1 218 276 39 GLY H H 7.737 0.020 1 219 276 39 GLY HA3 H 4.023 0.020 1 220 276 39 GLY CA C 44.282 0.200 1 221 276 39 GLY N N 110.934 0.200 1 222 277 40 ARG H H 8.780 0.020 1 223 277 40 ARG HA H 4.344 0.020 1 224 277 40 ARG HB3 H 1.764 0.020 1 225 277 40 ARG CA C 57.019 0.200 1 226 277 40 ARG CB C 30.096 0.200 1 227 277 40 ARG N N 121.233 0.200 1 228 278 41 ARG H H 8.526 0.020 1 229 278 41 ARG HA H 4.709 0.020 1 230 278 41 ARG HB3 H 1.645 0.020 1 231 278 41 ARG HD2 H 3.382 0.020 1 232 278 41 ARG HE H 6.485 0.020 1 233 278 41 ARG CA C 54.853 0.200 1 234 278 41 ARG CB C 33.778 0.200 1 235 278 41 ARG CD C 43.744 0.200 1 236 278 41 ARG N N 123.970 0.200 1 237 278 41 ARG NE N 82.623 0.200 1 238 279 42 GLY H H 7.584 0.020 1 239 279 42 GLY HA3 H 2.726 0.020 1 240 279 42 GLY CA C 45.619 0.200 1 241 279 42 GLY N N 107.109 0.200 1 242 280 43 PRO HA H 4.487 0.020 1 243 280 43 PRO HB2 H 2.007 0.020 1 244 280 43 PRO HD3 H 3.699 0.020 1 245 280 43 PRO HG2 H 1.906 0.020 1 246 280 43 PRO CA C 63.504 0.200 1 247 280 43 PRO CB C 33.148 0.200 1 248 280 43 PRO CD C 49.458 0.200 1 249 280 43 PRO CG C 25.436 0.200 1 250 281 44 GLU H H 8.310 0.020 1 251 281 44 GLU HA H 4.185 0.020 1 252 281 44 GLU HB2 H 1.635 0.020 1 253 281 44 GLU HG2 H 2.163 0.020 1 254 281 44 GLU CA C 56.859 0.200 1 255 281 44 GLU CB C 29.146 0.200 1 256 281 44 GLU CG C 36.117 0.200 1 257 281 44 GLU N N 120.374 0.200 1 258 282 45 GLN H H 8.806 0.020 1 259 282 45 GLN HA H 3.835 0.020 1 260 282 45 GLN HB2 H 1.960 0.020 1 261 282 45 GLN HE21 H 6.726 0.020 2 262 282 45 GLN HE22 H 7.454 0.020 2 263 282 45 GLN HG2 H 2.316 0.020 1 264 282 45 GLN CA C 58.911 0.200 1 265 282 45 GLN CB C 28.500 0.200 1 266 282 45 GLN CG C 33.393 0.200 1 267 282 45 GLN N N 118.594 0.200 1 268 282 45 GLN NE2 N 112.482 0.200 1 269 283 46 THR H H 7.071 0.020 1 270 283 46 THR HA H 4.220 0.020 1 271 283 46 THR HB H 4.447 0.020 1 272 283 46 THR HG2 H 0.887 0.020 1 273 283 46 THR CA C 61.174 0.200 1 274 283 46 THR CB C 68.760 0.200 1 275 283 46 THR CG2 C 21.365 0.200 1 276 283 46 THR N N 102.963 0.200 1 277 284 47 GLN H H 7.822 0.020 1 278 284 47 GLN HA H 4.721 0.020 1 279 284 47 GLN HB2 H 1.855 0.020 1 280 284 47 GLN HE21 H 6.487 0.020 2 281 284 47 GLN HE22 H 6.934 0.020 2 282 284 47 GLN HG2 H 2.215 0.020 1 283 284 47 GLN CA C 54.337 0.200 1 284 284 47 GLN CB C 31.320 0.200 1 285 284 47 GLN CG C 34.273 0.200 1 286 284 47 GLN N N 122.891 0.200 1 287 284 47 GLN NE2 N 109.380 0.200 1 288 285 48 GLY H H 8.465 0.020 1 289 285 48 GLY HA3 H 3.961 0.020 1 290 285 48 GLY CA C 45.350 0.200 1 291 285 48 GLY N N 107.512 0.200 1 292 286 49 ASN H H 8.006 0.020 1 293 286 49 ASN HA H 5.050 0.020 1 294 286 49 ASN HB2 H 2.719 0.020 1 295 286 49 ASN CA C 52.458 0.200 1 296 286 49 ASN CB C 41.060 0.200 1 297 286 49 ASN N N 115.803 0.200 1 298 287 50 PHE H H 9.762 0.020 1 299 287 50 PHE HA H 5.010 0.020 1 300 287 50 PHE HB3 H 3.995 0.020 1 301 287 50 PHE CA C 59.966 0.200 1 302 287 50 PHE CB C 41.720 0.200 1 303 287 50 PHE N N 129.008 0.200 1 304 288 51 GLY H H 9.281 0.020 1 305 288 51 GLY HA3 H 3.808 0.020 1 306 288 51 GLY CA C 45.248 0.200 1 307 288 51 GLY N N 119.583 0.200 1 308 289 52 ASP H H 10.698 0.020 1 309 289 52 ASP HA H 4.700 0.020 1 310 289 52 ASP HB2 H 2.421 0.020 1 311 289 52 ASP CA C 52.450 0.200 1 312 289 52 ASP CB C 39.524 0.200 1 313 289 52 ASP N N 132.367 0.200 1 314 290 53 GLN H H 8.277 0.020 1 315 290 53 GLN HA H 3.585 0.020 1 316 290 53 GLN HB2 H 1.651 0.020 1 317 290 53 GLN HE21 H 6.690 0.020 2 318 290 53 GLN HE22 H 6.844 0.020 2 319 290 53 GLN HG2 H 1.565 0.020 1 320 290 53 GLN CA C 60.112 0.200 1 321 290 53 GLN CB C 28.673 0.200 1 322 290 53 GLN CG C 33.721 0.200 1 323 290 53 GLN N N 113.112 0.200 1 324 290 53 GLN NE2 N 111.495 0.200 1 325 291 54 ASP H H 7.645 0.020 1 326 291 54 ASP HA H 4.460 0.020 1 327 291 54 ASP HB2 H 3.021 0.020 1 328 291 54 ASP CA C 57.164 0.200 1 329 291 54 ASP CB C 40.723 0.200 1 330 291 54 ASP N N 118.628 0.200 1 331 292 55 LEU H H 8.287 0.020 1 332 292 55 LEU HA H 3.576 0.020 1 333 292 55 LEU HB3 H 1.486 0.020 1 334 292 55 LEU HD1 H 0.688 0.020 1 335 292 55 LEU HG H 1.336 0.020 1 336 292 55 LEU CA C 58.841 0.200 1 337 292 55 LEU CB C 40.710 0.200 1 338 292 55 LEU CD1 C 24.786 0.200 1 339 292 55 LEU CG C 27.899 0.200 1 340 292 55 LEU N N 121.422 0.200 1 341 293 56 ILE H H 8.780 0.020 1 342 293 56 ILE HA H 3.576 0.020 1 343 293 56 ILE HB H 1.742 0.020 1 344 293 56 ILE HD1 H 0.926 0.020 1 345 293 56 ILE HG2 H 0.869 0.020 1 346 293 56 ILE CA C 65.304 0.200 1 347 293 56 ILE CB C 37.846 0.200 1 348 293 56 ILE CD1 C 14.989 0.200 1 349 293 56 ILE CG2 C 17.620 0.200 1 350 293 56 ILE N N 116.406 0.200 1 351 294 57 ARG H H 7.273 0.020 1 352 294 57 ARG HA H 4.100 0.020 1 353 294 57 ARG HB3 H 1.932 0.020 1 354 294 57 ARG HD2 H 3.211 0.020 1 355 294 57 ARG HG3 H 1.794 0.020 1 356 294 57 ARG CA C 58.396 0.200 1 357 294 57 ARG CB C 31.106 0.200 1 358 294 57 ARG CD C 43.247 0.200 1 359 294 57 ARG CG C 28.033 0.200 1 360 294 57 ARG N N 115.237 0.200 1 361 295 58 GLN H H 7.756 0.020 1 362 295 58 GLN HA H 4.322 0.020 1 363 295 58 GLN HB2 H 1.901 0.020 1 364 295 58 GLN HE21 H 6.853 0.020 2 365 295 58 GLN HE22 H 7.319 0.020 2 366 295 58 GLN HG2 H 2.148 0.020 1 367 295 58 GLN CA C 56.230 0.200 1 368 295 58 GLN CB C 31.125 0.200 1 369 295 58 GLN CG C 34.247 0.200 1 370 295 58 GLN N N 113.730 0.200 1 371 295 58 GLN NE2 N 109.196 0.200 1 372 296 59 GLY H H 9.263 0.020 1 373 296 59 GLY HA3 H 3.219 0.020 1 374 296 59 GLY CA C 46.403 0.200 1 375 296 59 GLY N N 109.779 0.200 1 376 297 60 THR H H 8.332 0.020 1 377 297 60 THR HA H 3.032 0.020 1 378 297 60 THR HB H 3.974 0.020 1 379 297 60 THR HG2 H 0.539 0.020 1 380 297 60 THR CA C 63.439 0.200 1 381 297 60 THR CB C 69.160 0.200 1 382 297 60 THR CG2 C 20.997 0.200 1 383 297 60 THR N N 115.355 0.200 1 384 298 61 ASP H H 8.019 0.020 1 385 298 61 ASP HA H 4.718 0.020 1 386 298 61 ASP HB2 H 2.988 0.020 1 387 298 61 ASP CA C 55.635 0.200 1 388 298 61 ASP CB C 41.054 0.200 1 389 298 61 ASP N N 118.815 0.200 1 390 299 62 TYR H H 7.971 0.020 1 391 299 62 TYR HA H 4.581 0.020 1 392 299 62 TYR HB3 H 3.183 0.020 1 393 299 62 TYR HE1 H 6.348 0.020 3 394 299 62 TYR HE2 H 6.348 0.020 3 395 299 62 TYR CA C 56.980 0.200 1 396 299 62 TYR CB C 40.365 0.200 1 397 299 62 TYR CE1 C 117.427 0.200 3 398 299 62 TYR N N 123.370 0.200 1 399 300 63 LYS H H 8.891 0.020 1 400 300 63 LYS HA H 3.829 0.020 1 401 300 63 LYS HB3 H 1.056 0.020 1 402 300 63 LYS HD3 H 1.379 0.020 1 403 300 63 LYS HE2 H 2.781 0.020 1 404 300 63 LYS HG3 H 0.481 0.020 1 405 300 63 LYS CA C 59.342 0.200 1 406 300 63 LYS CB C 31.589 0.200 1 407 300 63 LYS CD C 28.512 0.200 1 408 300 63 LYS CE C 41.435 0.200 1 409 300 63 LYS CG C 22.947 0.200 1 410 300 63 LYS N N 130.151 0.200 1 411 301 64 HIS HA H 5.209 0.020 1 412 301 64 HIS HB3 H 3.496 0.020 1 413 301 64 HIS HD2 H 6.831 0.020 1 414 301 64 HIS HE1 H 7.750 0.020 1 415 301 64 HIS CA C 53.688 0.200 1 416 301 64 HIS CB C 29.796 0.200 1 417 301 64 HIS CD2 C 121.492 0.200 1 418 301 64 HIS CE1 C 139.121 0.200 1 419 302 65 TRP H H 8.120 0.020 1 420 302 65 TRP HA H 4.557 0.020 1 421 302 65 TRP HD1 H 7.313 0.020 1 422 302 65 TRP HE1 H 10.726 0.020 1 423 302 65 TRP HE3 H 7.337 0.020 1 424 302 65 TRP HH2 H 7.387 0.020 1 425 302 65 TRP CA C 61.535 0.200 1 426 302 65 TRP CD1 C 127.988 0.200 1 427 302 65 TRP CE3 C 121.083 0.200 1 428 302 65 TRP CH2 C 124.223 0.200 1 429 302 65 TRP N N 120.868 0.200 1 430 302 65 TRP NE1 N 131.487 0.200 1 431 303 66 PRO HA H 3.870 0.020 1 432 303 66 PRO HB2 H 1.721 0.020 1 433 303 66 PRO HD3 H 3.631 0.020 1 434 303 66 PRO HG2 H 2.162 0.020 1 435 303 66 PRO CA C 66.675 0.200 1 436 303 66 PRO CB C 30.192 0.200 1 437 303 66 PRO CD C 49.585 0.200 1 438 303 66 PRO CG C 28.450 0.200 1 439 304 67 GLN H H 7.111 0.020 1 440 304 67 GLN HA H 3.865 0.020 1 441 304 67 GLN HB2 H 2.065 0.020 1 442 304 67 GLN HE21 H 6.580 0.020 2 443 304 67 GLN HE22 H 7.895 0.020 2 444 304 67 GLN HG2 H 2.437 0.020 1 445 304 67 GLN CA C 58.022 0.200 1 446 304 67 GLN CB C 28.134 0.200 1 447 304 67 GLN CG C 33.798 0.200 1 448 304 67 GLN N N 115.942 0.200 1 449 304 67 GLN NE2 N 108.888 0.200 1 450 305 68 ILE H H 7.171 0.020 1 451 305 68 ILE HA H 3.540 0.020 1 452 305 68 ILE HB H 1.131 0.020 1 453 305 68 ILE HD1 H 0.670 0.020 1 454 305 68 ILE HG12 H 0.627 0.020 1 455 305 68 ILE HG2 H -0.477 0.020 1 456 305 68 ILE CA C 64.153 0.200 1 457 305 68 ILE CB C 38.183 0.200 1 458 305 68 ILE CD1 C 13.834 0.200 1 459 305 68 ILE CG1 C 28.790 0.200 1 460 305 68 ILE CG2 C 15.922 0.200 1 461 305 68 ILE N N 118.570 0.200 1 462 306 69 ALA H H 7.998 0.020 1 463 306 69 ALA HA H 3.302 0.020 1 464 306 69 ALA HB H 0.727 0.020 1 465 306 69 ALA CA C 54.619 0.200 1 466 306 69 ALA CB C 16.672 0.200 1 467 306 69 ALA N N 118.631 0.200 1 468 307 70 GLN H H 6.698 0.020 1 469 307 70 GLN HA H 4.017 0.020 1 470 307 70 GLN HB2 H 1.805 0.020 1 471 307 70 GLN HE21 H 6.947 0.020 2 472 307 70 GLN HE22 H 8.005 0.020 2 473 307 70 GLN HG2 H 1.598 0.020 1 474 307 70 GLN CA C 57.422 0.200 1 475 307 70 GLN CB C 27.480 0.200 1 476 307 70 GLN CG C 31.473 0.200 1 477 307 70 GLN N N 115.304 0.200 1 478 307 70 GLN NE2 N 113.881 0.200 1 479 308 71 PHE H H 7.796 0.020 1 480 308 71 PHE HA H 4.340 0.020 1 481 308 71 PHE HB3 H 3.442 0.020 1 482 308 71 PHE HE1 H 7.376 0.020 3 483 308 71 PHE HE2 H 7.376 0.020 3 484 308 71 PHE CA C 59.140 0.200 1 485 308 71 PHE CB C 39.731 0.200 1 486 308 71 PHE CE1 C 132.100 0.200 3 487 308 71 PHE N N 118.101 0.200 1 488 309 72 ALA H H 7.251 0.020 1 489 309 72 ALA HA H 3.658 0.020 1 490 309 72 ALA HB H 1.319 0.020 1 491 309 72 ALA CA C 48.754 0.200 1 492 309 72 ALA CB C 17.656 0.200 1 493 309 72 ALA N N 118.545 0.200 1 494 310 73 PRO HA H 5.004 0.020 1 495 310 73 PRO HB2 H 1.853 0.020 1 496 310 73 PRO HD3 H 1.577 0.020 1 497 310 73 PRO HG2 H 1.317 0.020 1 498 310 73 PRO CA C 61.147 0.200 1 499 310 73 PRO CB C 31.365 0.200 1 500 310 73 PRO CD C 47.942 0.200 1 501 310 73 PRO CG C 26.904 0.200 1 502 311 74 SER H H 8.811 0.020 1 503 311 74 SER N N 118.514 0.200 1 504 312 75 ALA H H 9.255 0.020 1 505 312 75 ALA HA H 4.213 0.020 1 506 312 75 ALA HB H 1.637 0.020 1 507 312 75 ALA CA C 56.234 0.200 1 508 312 75 ALA CB C 18.194 0.200 1 509 312 75 ALA N N 125.933 0.200 1 510 313 76 SER H H 8.817 0.020 1 511 313 76 SER HA H 4.437 0.020 1 512 313 76 SER HB2 H 3.926 0.020 1 513 313 76 SER CA C 61.031 0.200 1 514 313 76 SER CB C 65.132 0.200 1 515 313 76 SER N N 109.704 0.200 1 516 314 77 ALA H H 8.336 0.020 1 517 314 77 ALA HA H 3.031 0.020 1 518 314 77 ALA HB H 1.536 0.020 1 519 314 77 ALA CA C 54.802 0.200 1 520 314 77 ALA CB C 19.025 0.200 1 521 314 77 ALA N N 122.804 0.200 1 522 315 78 PHE H H 9.610 0.020 1 523 315 78 PHE HA H 3.503 0.020 1 524 315 78 PHE HB3 H 2.989 0.020 1 525 315 78 PHE HE1 H 5.988 0.020 3 526 315 78 PHE HE2 H 5.988 0.020 3 527 315 78 PHE CA C 62.922 0.200 1 528 315 78 PHE CB C 38.470 0.200 1 529 315 78 PHE CE1 C 130.371 0.200 3 530 315 78 PHE N N 122.425 0.200 1 531 316 79 PHE H H 7.509 0.020 1 532 316 79 PHE HA H 3.844 0.020 1 533 316 79 PHE HB3 H 3.037 0.020 1 534 316 79 PHE HE1 H 6.805 0.020 3 535 316 79 PHE HE2 H 6.805 0.020 3 536 316 79 PHE CA C 62.221 0.200 1 537 316 79 PHE CB C 39.089 0.200 1 538 316 79 PHE CE1 C 131.059 0.200 3 539 316 79 PHE N N 113.052 0.200 1 540 317 80 GLY H H 8.368 0.020 1 541 317 80 GLY HA3 H 4.084 0.020 1 542 317 80 GLY CA C 46.067 0.200 1 543 317 80 GLY N N 113.187 0.200 1 544 318 81 MET H H 8.901 0.020 1 545 318 81 MET HA H 4.480 0.020 1 546 318 81 MET HB2 H 2.054 0.020 1 547 318 81 MET HE H 2.090 0.020 1 548 318 81 MET HG2 H 2.497 0.020 1 549 318 81 MET CA C 57.132 0.200 1 550 318 81 MET CB C 34.938 0.200 1 551 318 81 MET CE C 15.845 0.200 1 552 318 81 MET CG C 30.127 0.200 1 553 318 81 MET N N 117.588 0.200 1 554 319 82 SER H H 6.165 0.020 1 555 319 82 SER HA H 4.506 0.020 1 556 319 82 SER HB2 H 3.596 0.020 1 557 319 82 SER CA C 59.084 0.200 1 558 319 82 SER CB C 63.550 0.200 1 559 319 82 SER N N 108.359 0.200 1 560 320 83 ARG H H 9.314 0.020 1 561 320 83 ARG HA H 4.632 0.020 1 562 320 83 ARG HB3 H 1.515 0.020 1 563 320 83 ARG HD2 H 3.422 0.020 1 564 320 83 ARG HG3 H 1.484 0.020 1 565 320 83 ARG CA C 55.457 0.200 1 566 320 83 ARG CB C 29.349 0.200 1 567 320 83 ARG CD C 42.009 0.200 1 568 320 83 ARG CG C 31.893 0.200 1 569 320 83 ARG N N 121.920 0.200 1 570 321 84 ILE H H 9.890 0.020 1 571 321 84 ILE HA H 5.184 0.020 1 572 321 84 ILE HB H 2.053 0.020 1 573 321 84 ILE HD1 H 0.195 0.020 1 574 321 84 ILE HG12 H 1.450 0.020 1 575 321 84 ILE HG2 H 1.125 0.020 1 576 321 84 ILE CA C 57.455 0.200 1 577 321 84 ILE CB C 38.586 0.200 1 578 321 84 ILE CD1 C 9.355 0.200 1 579 321 84 ILE CG1 C 25.895 0.200 1 580 321 84 ILE CG2 C 18.314 0.200 1 581 321 84 ILE N N 130.103 0.200 1 582 322 85 GLY H H 8.690 0.020 1 583 322 85 GLY HA3 H 4.600 0.020 1 584 322 85 GLY CA C 44.402 0.200 1 585 322 85 GLY N N 116.068 0.200 1 586 323 86 MET H H 8.424 0.020 1 587 323 86 MET HA H 5.781 0.020 1 588 323 86 MET HB2 H 1.875 0.020 1 589 323 86 MET HE H 1.845 0.020 1 590 323 86 MET HG2 H 2.356 0.020 1 591 323 86 MET CA C 54.536 0.200 1 592 323 86 MET CB C 36.185 0.200 1 593 323 86 MET CE C 16.980 0.200 1 594 323 86 MET CG C 31.610 0.200 1 595 323 86 MET N N 118.474 0.200 1 596 324 87 GLU H H 9.463 0.020 1 597 324 87 GLU HA H 4.811 0.020 1 598 324 87 GLU HB2 H 1.778 0.020 1 599 324 87 GLU HG2 H 2.101 0.020 1 600 324 87 GLU CA C 55.042 0.200 1 601 324 87 GLU CB C 32.885 0.200 1 602 324 87 GLU CG C 35.563 0.200 1 603 324 87 GLU N N 125.609 0.200 1 604 325 88 VAL H H 8.748 0.020 1 605 325 88 VAL HA H 4.859 0.020 1 606 325 88 VAL HB H 1.983 0.020 1 607 325 88 VAL HG2 H 1.004 0.020 1 608 325 88 VAL CA C 62.382 0.200 1 609 325 88 VAL CB C 32.635 0.200 1 610 325 88 VAL CG2 C 20.227 0.200 1 611 325 88 VAL N N 125.809 0.200 1 612 326 89 THR H H 9.217 0.020 1 613 326 89 THR HA H 5.225 0.020 1 614 326 89 THR HB H 4.744 0.020 1 615 326 89 THR HG2 H 1.127 0.020 1 616 326 89 THR CA C 59.191 0.200 1 617 326 89 THR CB C 69.631 0.200 1 618 326 89 THR CG2 C 21.167 0.200 1 619 326 89 THR N N 120.805 0.200 1 620 327 90 PRO HA H 4.430 0.020 1 621 327 90 PRO HB2 H 1.907 0.020 1 622 327 90 PRO HD3 H 3.837 0.020 1 623 327 90 PRO HG2 H 2.131 0.020 1 624 327 90 PRO CA C 65.179 0.200 1 625 327 90 PRO CB C 31.114 0.200 1 626 327 90 PRO CD C 51.081 0.200 1 627 327 90 PRO CG C 27.860 0.200 1 628 328 91 SER H H 8.074 0.020 1 629 328 91 SER HA H 4.645 0.020 1 630 328 91 SER HB2 H 3.939 0.020 1 631 328 91 SER CA C 57.837 0.200 1 632 328 91 SER CB C 63.894 0.200 1 633 328 91 SER N N 108.802 0.200 1 634 329 92 GLY H H 7.915 0.020 1 635 329 92 GLY HA3 H 3.814 0.020 1 636 329 92 GLY CA C 45.493 0.200 1 637 329 92 GLY N N 110.468 0.200 1 638 330 93 THR H H 8.992 0.020 1 639 330 93 THR HA H 5.127 0.020 1 640 330 93 THR HB H 4.039 0.020 1 641 330 93 THR HG2 H 1.198 0.020 1 642 330 93 THR CA C 63.378 0.200 1 643 330 93 THR CB C 70.420 0.200 1 644 330 93 THR CG2 C 21.456 0.200 1 645 330 93 THR N N 119.129 0.200 1 646 331 94 TRP H H 9.433 0.020 1 647 331 94 TRP HA H 5.114 0.020 1 648 331 94 TRP HD1 H 7.088 0.020 1 649 331 94 TRP HE1 H 9.441 0.020 1 650 331 94 TRP HE3 H 7.193 0.020 1 651 331 94 TRP HH2 H 7.165 0.020 1 652 331 94 TRP CA C 55.819 0.200 1 653 331 94 TRP CD1 C 128.449 0.200 1 654 331 94 TRP CE3 C 120.495 0.200 1 655 331 94 TRP CH2 C 124.418 0.200 1 656 331 94 TRP N N 125.818 0.200 1 657 331 94 TRP NE1 N 128.796 0.200 1 658 332 95 LEU H H 9.451 0.020 1 659 332 95 LEU HA H 5.280 0.020 1 660 332 95 LEU HB3 H 2.028 0.020 1 661 332 95 LEU HD1 H 1.030 0.020 1 662 332 95 LEU HG H 1.797 0.020 1 663 332 95 LEU CA C 54.087 0.200 1 664 332 95 LEU CB C 44.047 0.200 1 665 332 95 LEU CD1 C 26.141 0.200 1 666 332 95 LEU CG C 27.153 0.200 1 667 332 95 LEU N N 125.866 0.200 1 668 333 96 THR H H 9.285 0.020 1 669 333 96 THR HA H 4.990 0.020 1 670 333 96 THR HB H 4.294 0.020 1 671 333 96 THR HG2 H 1.060 0.020 1 672 333 96 THR CA C 60.414 0.200 1 673 333 96 THR CB C 70.411 0.200 1 674 333 96 THR CG2 C 21.219 0.200 1 675 333 96 THR N N 120.229 0.200 1 676 334 97 TYR H H 8.126 0.020 1 677 334 97 TYR HA H 5.762 0.020 1 678 334 97 TYR HB3 H 2.641 0.020 1 679 334 97 TYR HE1 H 6.504 0.020 3 680 334 97 TYR HE2 H 6.552 0.020 3 681 334 97 TYR CA C 55.310 0.200 1 682 334 97 TYR CB C 42.247 0.200 1 683 334 97 TYR CE1 C 115.044 0.200 3 684 334 97 TYR CE2 C 117.617 0.200 3 685 334 97 TYR N N 114.966 0.200 1 686 335 98 HIS H H 8.076 0.020 1 687 335 98 HIS HA H 5.109 0.020 1 688 335 98 HIS HB3 H 3.153 0.020 1 689 335 98 HIS HD2 H 6.992 0.020 1 690 335 98 HIS CA C 55.362 0.200 1 691 335 98 HIS CB C 33.223 0.200 1 692 335 98 HIS CD2 C 120.826 0.200 1 693 335 98 HIS N N 115.771 0.200 1 694 336 99 GLY H H 7.764 0.020 1 695 336 99 GLY HA3 H 3.962 0.020 1 696 336 99 GLY CA C 45.560 0.200 1 697 336 99 GLY N N 109.211 0.200 1 698 337 100 ALA H H 8.374 0.020 1 699 337 100 ALA HA H 5.364 0.020 1 700 337 100 ALA HB H 1.214 0.020 1 701 337 100 ALA CA C 51.707 0.200 1 702 337 100 ALA CB C 22.395 0.200 1 703 337 100 ALA N N 121.792 0.200 1 704 338 101 ILE H H 9.810 0.020 1 705 338 101 ILE HA H 4.410 0.020 1 706 338 101 ILE HB H 1.992 0.020 1 707 338 101 ILE HD1 H 0.874 0.020 1 708 338 101 ILE HG12 H 1.104 0.020 1 709 338 101 ILE HG2 H 0.988 0.020 1 710 338 101 ILE CA C 60.560 0.200 1 711 338 101 ILE CB C 42.265 0.200 1 712 338 101 ILE CD1 C 13.847 0.200 1 713 338 101 ILE CG1 C 28.405 0.200 1 714 338 101 ILE CG2 C 16.929 0.200 1 715 338 101 ILE N N 123.548 0.200 1 716 339 102 LYS H H 8.867 0.020 1 717 339 102 LYS HA H 3.615 0.020 1 718 339 102 LYS HB3 H 1.326 0.020 1 719 339 102 LYS HD3 H 1.161 0.020 1 720 339 102 LYS HE2 H 2.727 0.020 1 721 339 102 LYS HG3 H -0.184 0.020 1 722 339 102 LYS CA C 57.040 0.200 1 723 339 102 LYS CB C 32.413 0.200 1 724 339 102 LYS CD C 28.347 0.200 1 725 339 102 LYS CE C 42.204 0.200 1 726 339 102 LYS CG C 24.432 0.200 1 727 339 102 LYS N N 131.100 0.200 1 728 340 103 LEU H H 8.696 0.020 1 729 340 103 LEU HA H 4.367 0.020 1 730 340 103 LEU HB3 H 1.625 0.020 1 731 340 103 LEU HD1 H 0.497 0.020 1 732 340 103 LEU HG H 1.637 0.020 1 733 340 103 LEU CA C 56.067 0.200 1 734 340 103 LEU CB C 41.790 0.200 1 735 340 103 LEU CD1 C 24.122 0.200 1 736 340 103 LEU CG C 29.868 0.200 1 737 340 103 LEU N N 130.423 0.200 1 738 341 104 ASP H H 8.813 0.020 1 739 341 104 ASP HA H 4.455 0.020 1 740 341 104 ASP HB2 H 2.710 0.020 1 741 341 104 ASP CA C 54.052 0.200 1 742 341 104 ASP CB C 40.750 0.200 1 743 341 104 ASP N N 121.358 0.200 1 744 342 105 ASP H H 7.957 0.020 1 745 342 105 ASP HA H 3.096 0.020 1 746 342 105 ASP HB2 H 2.081 0.020 1 747 342 105 ASP CA C 54.154 0.200 1 748 342 105 ASP CB C 39.108 0.200 1 749 342 105 ASP N N 126.107 0.200 1 750 343 106 LYS H H 8.194 0.020 1 751 343 106 LYS HA H 4.226 0.020 1 752 343 106 LYS HB3 H 1.835 0.020 1 753 343 106 LYS HD3 H 1.546 0.020 1 754 343 106 LYS HE2 H 2.922 0.020 1 755 343 106 LYS HG3 H 1.375 0.020 1 756 343 106 LYS CA C 55.376 0.200 1 757 343 106 LYS CB C 31.303 0.200 1 758 343 106 LYS CD C 27.760 0.200 1 759 343 106 LYS CG C 24.355 0.200 1 760 343 106 LYS N N 118.243 0.200 1 761 344 107 ASP H H 7.016 0.020 1 762 344 107 ASP HA H 4.691 0.020 1 763 344 107 ASP HB2 H 2.624 0.020 1 764 344 107 ASP CA C 52.119 0.200 1 765 344 107 ASP CB C 42.866 0.200 1 766 344 107 ASP N N 123.505 0.200 1 767 345 108 PRO HA H 4.423 0.020 1 768 345 108 PRO HB2 H 1.984 0.020 1 769 345 108 PRO HD3 H 3.914 0.020 1 770 345 108 PRO HG2 H 2.053 0.020 1 771 345 108 PRO CA C 65.183 0.200 1 772 345 108 PRO CB C 31.979 0.200 1 773 345 108 PRO CD C 51.146 0.200 1 774 345 108 PRO CG C 27.143 0.200 1 775 346 109 GLN H H 9.026 0.020 1 776 346 109 GLN HA H 4.533 0.020 1 777 346 109 GLN HB2 H 1.958 0.020 1 778 346 109 GLN HE21 H 6.795 0.020 2 779 346 109 GLN HE22 H 7.641 0.020 2 780 346 109 GLN HG2 H 2.416 0.020 1 781 346 109 GLN CA C 55.610 0.200 1 782 346 109 GLN CB C 29.290 0.200 1 783 346 109 GLN CG C 35.079 0.200 1 784 346 109 GLN N N 117.325 0.200 1 785 346 109 GLN NE2 N 111.986 0.200 1 786 347 110 PHE H H 8.316 0.020 1 787 347 110 PHE HA H 4.341 0.020 1 788 347 110 PHE HB3 H 2.936 0.020 1 789 347 110 PHE HE1 H 7.153 0.020 3 790 347 110 PHE HE2 H 7.153 0.020 3 791 347 110 PHE CA C 62.187 0.200 1 792 347 110 PHE CB C 39.210 0.200 1 793 347 110 PHE CE1 C 131.055 0.200 3 794 347 110 PHE N N 121.305 0.200 1 795 348 111 LYS H H 8.547 0.020 1 796 348 111 LYS HA H 3.474 0.020 1 797 348 111 LYS HB3 H 1.716 0.020 1 798 348 111 LYS HE2 H 2.562 0.020 1 799 348 111 LYS HG3 H 1.555 0.020 1 800 348 111 LYS CA C 59.993 0.200 1 801 348 111 LYS CB C 31.207 0.200 1 802 348 111 LYS CE C 40.838 0.200 1 803 348 111 LYS CG C 24.820 0.200 1 804 348 111 LYS N N 116.955 0.200 1 805 349 112 ASP H H 7.666 0.020 1 806 349 112 ASP HA H 4.287 0.020 1 807 349 112 ASP HB2 H 2.565 0.020 1 808 349 112 ASP CA C 57.244 0.200 1 809 349 112 ASP CB C 40.890 0.200 1 810 349 112 ASP N N 118.370 0.200 1 811 350 113 ASN H H 8.720 0.020 1 812 350 113 ASN HA H 4.354 0.020 1 813 350 113 ASN HB2 H 3.152 0.020 1 814 350 113 ASN HD21 H 7.165 0.020 2 815 350 113 ASN HD22 H 7.348 0.020 2 816 350 113 ASN CA C 56.167 0.200 1 817 350 113 ASN CB C 37.521 0.200 1 818 350 113 ASN N N 120.267 0.200 1 819 350 113 ASN ND2 N 110.323 0.200 1 820 351 114 VAL H H 7.934 0.020 1 821 351 114 VAL HA H 3.164 0.020 1 822 351 114 VAL HB H 1.698 0.020 1 823 351 114 VAL HG2 H 0.255 0.020 1 824 351 114 VAL CA C 67.581 0.200 1 825 351 114 VAL CB C 31.509 0.200 1 826 351 114 VAL CG2 C 22.854 0.200 1 827 351 114 VAL N N 120.540 0.200 1 828 352 115 ILE H H 7.624 0.020 1 829 352 115 ILE HA H 3.563 0.020 1 830 352 115 ILE HB H 1.739 0.020 1 831 352 115 ILE HD1 H 0.753 0.020 1 832 352 115 ILE HG12 H 1.003 0.020 1 833 352 115 ILE HG2 H 0.797 0.020 1 834 352 115 ILE CA C 65.315 0.200 1 835 352 115 ILE CB C 38.191 0.200 1 836 352 115 ILE CD1 C 12.796 0.200 1 837 352 115 ILE CG1 C 29.316 0.200 1 838 352 115 ILE CG2 C 16.518 0.200 1 839 352 115 ILE N N 119.363 0.200 1 840 353 116 LEU H H 8.016 0.020 1 841 353 116 LEU HA H 4.053 0.020 1 842 353 116 LEU HB3 H 1.955 0.020 1 843 353 116 LEU HD1 H 1.051 0.020 1 844 353 116 LEU HG H 1.479 0.020 1 845 353 116 LEU CA C 58.100 0.200 1 846 353 116 LEU CB C 41.351 0.200 1 847 353 116 LEU CD1 C 22.655 0.200 1 848 353 116 LEU CG C 27.256 0.200 1 849 353 116 LEU N N 120.681 0.200 1 850 354 117 LEU H H 8.383 0.020 1 851 354 117 LEU HA H 4.074 0.020 1 852 354 117 LEU HB3 H 1.260 0.020 1 853 354 117 LEU HD1 H 0.476 0.020 1 854 354 117 LEU HG H 1.899 0.020 1 855 354 117 LEU CA C 59.003 0.200 1 856 354 117 LEU CB C 41.794 0.200 1 857 354 117 LEU CD1 C 25.329 0.200 1 858 354 117 LEU CG C 27.073 0.200 1 859 354 117 LEU N N 117.312 0.200 1 860 355 118 ASN H H 8.293 0.020 1 861 355 118 ASN HA H 4.425 0.020 1 862 355 118 ASN HB2 H 2.807 0.020 1 863 355 118 ASN HD21 H 6.593 0.020 2 864 355 118 ASN HD22 H 7.188 0.020 2 865 355 118 ASN CA C 56.134 0.200 1 866 355 118 ASN CB C 38.356 0.200 1 867 355 118 ASN N N 115.317 0.200 1 868 355 118 ASN ND2 N 110.991 0.200 1 869 356 119 LYS H H 7.678 0.020 1 870 356 119 LYS HA H 3.878 0.020 1 871 356 119 LYS HB3 H 1.692 0.020 1 872 356 119 LYS HD3 H 1.484 0.020 1 873 356 119 LYS HE2 H 2.899 0.020 1 874 356 119 LYS HG3 H 1.173 0.020 1 875 356 119 LYS CA C 58.513 0.200 1 876 356 119 LYS CB C 31.819 0.200 1 877 356 119 LYS CD C 28.858 0.200 1 878 356 119 LYS CE C 41.705 0.200 1 879 356 119 LYS CG C 23.942 0.200 1 880 356 119 LYS N N 119.079 0.200 1 881 357 120 HIS H H 6.824 0.020 1 882 357 120 HIS HA H 4.142 0.020 1 883 357 120 HIS HB3 H 1.140 0.020 1 884 357 120 HIS HD2 H 7.399 0.020 1 885 357 120 HIS HE1 H 7.515 0.020 1 886 357 120 HIS HE2 H 10.375 0.020 1 887 357 120 HIS CA C 57.639 0.200 1 888 357 120 HIS CB C 32.739 0.200 1 889 357 120 HIS CD2 C 118.148 0.200 1 890 357 120 HIS CE1 C 141.348 0.200 1 891 357 120 HIS N N 113.177 0.200 1 892 358 121 ILE H H 7.728 0.020 1 893 358 121 ILE HA H 3.516 0.020 1 894 358 121 ILE HB H 1.851 0.020 1 895 358 121 ILE HD1 H 0.859 0.020 1 896 358 121 ILE HG2 H 0.960 0.020 1 897 358 121 ILE CA C 65.265 0.200 1 898 358 121 ILE CB C 38.493 0.200 1 899 358 121 ILE CD1 C 14.191 0.200 1 900 358 121 ILE CG2 C 17.084 0.200 1 901 358 121 ILE N N 125.983 0.200 1 902 359 122 ASP H H 8.187 0.020 1 903 359 122 ASP HA H 4.099 0.020 1 904 359 122 ASP HB2 H 2.865 0.020 1 905 359 122 ASP CA C 57.045 0.200 1 906 359 122 ASP CB C 38.012 0.200 1 907 359 122 ASP N N 122.977 0.200 1 908 360 123 ALA H H 7.176 0.020 1 909 360 123 ALA HA H 3.816 0.020 1 910 360 123 ALA HB H 1.463 0.020 1 911 360 123 ALA CA C 55.247 0.200 1 912 360 123 ALA CB C 16.993 0.200 1 913 360 123 ALA N N 124.542 0.200 1 914 361 124 TYR H H 8.605 0.020 1 915 361 124 TYR HA H 1.631 0.020 1 916 361 124 TYR HB3 H 2.450 0.020 1 917 361 124 TYR HE1 H 6.800 0.020 3 918 361 124 TYR HE2 H 6.800 0.020 3 919 361 124 TYR CA C 57.665 0.200 1 920 361 124 TYR CB C 36.072 0.200 1 921 361 124 TYR CE1 C 117.698 0.200 3 922 361 124 TYR N N 114.857 0.200 1 923 362 125 LYS H H 6.199 0.020 1 924 362 125 LYS HA H 3.520 0.020 1 925 362 125 LYS HB3 H 1.615 0.020 1 926 362 125 LYS HD3 H 1.453 0.020 1 927 362 125 LYS HE2 H 2.827 0.020 1 928 362 125 LYS HG3 H 0.424 0.020 1 929 362 125 LYS CA C 58.464 0.200 1 930 362 125 LYS CB C 32.371 0.200 1 931 362 125 LYS CD C 29.061 0.200 1 932 362 125 LYS CE C 41.591 0.200 1 933 362 125 LYS CG C 25.480 0.200 1 934 362 125 LYS N N 120.912 0.200 1 935 363 126 THR H H 7.748 0.020 1 936 363 126 THR HA H 4.414 0.020 1 937 363 126 THR HB H 4.471 0.020 1 938 363 126 THR HG2 H 1.024 0.020 1 939 363 126 THR CA C 61.027 0.200 1 940 363 126 THR CB C 69.682 0.200 1 941 363 126 THR CG2 C 20.956 0.200 1 942 363 126 THR N N 106.785 0.200 1 943 364 127 PHE H H 7.202 0.020 1 944 364 127 PHE HA H 4.985 0.020 1 945 364 127 PHE HB3 H 3.353 0.020 1 946 364 127 PHE HE1 H 7.248 0.020 3 947 364 127 PHE HE2 H 7.248 0.020 3 948 364 127 PHE CA C 53.327 0.200 1 949 364 127 PHE CB C 35.691 0.200 1 950 364 127 PHE CE1 C 131.387 0.200 3 951 364 127 PHE N N 122.977 0.200 1 952 365 128 PRO HA H 4.296 0.020 1 953 365 128 PRO HB2 H 1.894 0.020 1 954 365 128 PRO HD3 H 3.559 0.020 1 955 365 128 PRO HG2 H 1.970 0.020 1 956 365 128 PRO CA C 65.004 0.200 1 957 365 128 PRO CB C 31.787 0.200 1 958 365 128 PRO CD C 50.077 0.200 1 959 365 128 PRO CG C 26.966 0.200 1 stop_ save_