data_25985 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Structure of the C-Terminal Domain of human APOBEC3B ; _BMRB_accession_number 25985 _BMRB_flat_file_name bmr25985.str _Entry_type original _Submission_date 2016-03-08 _Accession_date 2016-03-08 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'NMR Structure of the APOBEC3B Catalytic Domain: Structural Bais for Substrate Binding and DNA Deaminase Activity' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Byeon In-Ja L. . 2 Byeon Chang-Hyeock . . 3 Gronenborn Angela M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1159 "13C chemical shifts" 481 "15N chemical shifts" 388 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-07-20 update BMRB 'update entry citation' 2016-05-31 original author 'original release' stop_ _Original_release_date 2016-05-31 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Nuclear Magnetic Resonance Structure of the APOBEC3B Catalytic Domain: Structural Basis for Substrate Binding and DNA Deaminase Activity ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27163633 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Byeon In-Ja L. . 2 Byeon Chang-Hyeock . . 3 Wu Tiyun . . 4 Mitra Mithun . . 5 Singer Dustin . . 6 Levin Judith G. . 7 Gronenborn Angela M. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 55 _Journal_issue 21 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2944 _Page_last 2959 _Year 2016 _Details . loop_ _Keyword A3B CTD NMR Structure deaminase stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'A3B CTD' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'A3B CTD' $A3B-CTD stop_ _System_molecular_weight 24409.651 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_A3B-CTD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common A3B-CTD _Molecular_mass 24409.651 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 205 _Mol_residue_sequence ; MEILRYLMDPDTFTFNFNND PLVLRRRQTYLCYEVERLDN GTWVLMDQHMGFLCNEAKNL LCGFYGRHAELRFLDLVPSL QLDPAQIYRVTWFISWSPCF SWGCAGEVRAFLQENTHVRL RIFAARIYDYDPLYKEALQM LRDAGAQVSIMTYDEFEYCW DTFVYRQGCPFQPWDGLEEH SQALSGRLRAILQNQGNLEH HHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 186 MET 2 187 GLU 3 188 ILE 4 189 LEU 5 190 ARG 6 191 TYR 7 192 LEU 8 193 MET 9 194 ASP 10 195 PRO 11 196 ASP 12 197 THR 13 198 PHE 14 199 THR 15 200 PHE 16 201 ASN 17 202 PHE 18 203 ASN 19 204 ASN 20 205 ASP 21 206 PRO 22 207 LEU 23 208 VAL 24 209 LEU 25 210 ARG 26 211 ARG 27 212 ARG 28 213 GLN 29 214 THR 30 215 TYR 31 216 LEU 32 217 CYS 33 218 TYR 34 219 GLU 35 220 VAL 36 221 GLU 37 222 ARG 38 223 LEU 39 224 ASP 40 225 ASN 41 226 GLY 42 227 THR 43 228 TRP 44 229 VAL 45 230 LEU 46 231 MET 47 232 ASP 48 233 GLN 49 234 HIS 50 235 MET 51 236 GLY 52 237 PHE 53 238 LEU 54 239 CYS 55 240 ASN 56 241 GLU 57 242 ALA 58 243 LYS 59 244 ASN 60 245 LEU 61 246 LEU 62 247 CYS 63 248 GLY 64 249 PHE 65 250 TYR 66 251 GLY 67 252 ARG 68 253 HIS 69 254 ALA 70 255 GLU 71 256 LEU 72 257 ARG 73 258 PHE 74 259 LEU 75 260 ASP 76 261 LEU 77 262 VAL 78 263 PRO 79 264 SER 80 265 LEU 81 266 GLN 82 267 LEU 83 268 ASP 84 269 PRO 85 270 ALA 86 271 GLN 87 272 ILE 88 273 TYR 89 274 ARG 90 275 VAL 91 276 THR 92 277 TRP 93 278 PHE 94 279 ILE 95 280 SER 96 281 TRP 97 282 SER 98 283 PRO 99 284 CYS 100 285 PHE 101 286 SER 102 287 TRP 103 288 GLY 104 289 CYS 105 290 ALA 106 291 GLY 107 292 GLU 108 293 VAL 109 294 ARG 110 295 ALA 111 296 PHE 112 297 LEU 113 298 GLN 114 299 GLU 115 300 ASN 116 301 THR 117 302 HIS 118 303 VAL 119 304 ARG 120 305 LEU 121 306 ARG 122 307 ILE 123 308 PHE 124 309 ALA 125 310 ALA 126 311 ARG 127 312 ILE 128 313 TYR 129 314 ASP 130 315 TYR 131 316 ASP 132 317 PRO 133 318 LEU 134 319 TYR 135 320 LYS 136 321 GLU 137 322 ALA 138 323 LEU 139 324 GLN 140 325 MET 141 326 LEU 142 327 ARG 143 328 ASP 144 329 ALA 145 330 GLY 146 331 ALA 147 332 GLN 148 333 VAL 149 334 SER 150 335 ILE 151 336 MET 152 337 THR 153 338 TYR 154 339 ASP 155 340 GLU 156 341 PHE 157 342 GLU 158 343 TYR 159 344 CYS 160 345 TRP 161 346 ASP 162 347 THR 163 348 PHE 164 349 VAL 165 350 TYR 166 351 ARG 167 352 GLN 168 353 GLY 169 354 CYS 170 355 PRO 171 356 PHE 172 357 GLN 173 358 PRO 174 359 TRP 175 360 ASP 176 361 GLY 177 362 LEU 178 363 GLU 179 364 GLU 180 365 HIS 181 366 SER 182 367 GLN 183 368 ALA 184 369 LEU 185 370 SER 186 371 GLY 187 372 ARG 188 373 LEU 189 374 ARG 190 375 ALA 191 376 ILE 192 377 LEU 193 378 GLN 194 379 ASN 195 380 GLN 196 381 GLY 197 382 ASN 198 383 LEU 199 384 GLU 200 385 HIS 201 386 HIS 202 387 HIS 203 388 HIS 204 389 HIS 205 390 HIS 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 $A3B-CTD Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $A3B-CTD 'recombinant technology' 'Escherichia coli' Escherichia coli DE3 pET21 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_2H_13C_15N_A3B-CTD _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $A3B-CTD 0.08 mM '[U-13C; U-15N; U-2H]' Zinc 0.08 mM 'natural abundance' D2O 7 % '[U-100% 2H]' H2O 93 % 'natural abundance' DTT 10 mM 'natural abundance' 'sodium phosphate' 25 mM 'natural abundance' stop_ save_ save_13C_15N_A3B-CTD _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $A3B-CTD 0.08 mM '[U-100% 13C; U-100% 15N]' Zinc 0;08 mM 'natural abundance' D2O 7 % '[U-100% 2H]' H2O 93 % 'natural abundance' DTT 10 mM 'natural abundance' 'sodium phosphate' 25 mM 'natural abundance' stop_ save_ save_A3B-CTD_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $A3B-CTD 0.05 mM 'natural abundance' Zinc 0.05 mM 'natural abundance' D2O 7 % '[U-100% 2H]' H2O 93 % 'natural abundance' DTT 10 mM 'natural abundance' 'sodium phosphate' 25 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Saveframe_category software _Name CcpNmr_Analysis _Version 2.2 loop_ _Vendor _Address _Electronic_address CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details 'The CCPN NMR assignment and data analysis application' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Avance_800 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_Avance_900 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ save_Avance_700 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_Avance_600 _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 $2H_13C_15N_A3B-CTD save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $13C_15N_A3B-CTD save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $2H_13C_15N_A3B-CTD save_ save_3D_HN(CO)CACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $2H_13C_15N_A3B-CTD save_ save_2D_1H-15N_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $13C_15N_A3B-CTD save_ save_3D_simultaneous_13C-_and_15N-edited_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D simultaneous 13C- and 15N-edited NOESY' _Sample_label $13C_15N_A3B-CTD save_ save_3D_TROSY-HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCACB' _Sample_label $2H_13C_15N_A3B-CTD save_ save_3D_TROSY-HN(CO)CACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HN(CO)CACB' _Sample_label $2H_13C_15N_A3B-CTD save_ save_2D_1H-1H_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $A3B-CTD_3 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $13C_15N_A3B-CTD save_ save_2D_1H-13C_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $13C_15N_A3B-CTD save_ ####################### # Sample conditions # ####################### save_H2O _Saveframe_category sample_conditions _Details '25 mM sodium phosphate, pH 6.9, 10 mM DTT, 0.02% sodium azide' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 25 . mM pH 6.9 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 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_ _Software_label $CcpNmr_Analysis stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HNCACB' '3D HN(CO)CACB' '3D simultaneous 13C- and 15N-edited NOESY' '3D TROSY-HNCACB' '2D 1H-1H NOESY' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $13C_15N_A3B-CTD $2H_13C_15N_A3B-CTD $A3B-CTD_3 stop_ _Sample_conditions_label $H2O _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'A3B CTD' _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 1 186 1 MET HA H 3.985 0.01 1 2 186 1 MET HB2 H 2.076 0.005 1 3 186 1 MET HG3 H 2.551 0.009 1 4 186 1 MET CA C 55.373 0.055 1 5 186 1 MET CB C 33.632 0.053 1 6 186 1 MET CG C 31.081 0.071 1 7 187 2 GLU HA H 4.373 0.006 1 8 187 2 GLU HB2 H 2.001 0.005 2 9 187 2 GLU HB3 H 1.908 0.006 2 10 187 2 GLU HG2 H 2.259 0.004 2 11 187 2 GLU HG3 H 2.223 0.013 2 12 187 2 GLU CA C 56.322 0.046 1 13 187 2 GLU CB C 30.353 0.09 1 14 187 2 GLU CG C 36.220 0.021 1 15 188 3 ILE H H 8.341 0.009 1 16 188 3 ILE HA H 4.113 0.006 1 17 188 3 ILE HB H 1.800 0.007 1 18 188 3 ILE HG12 H 1.457 0.008 2 19 188 3 ILE HG13 H 1.144 0.006 2 20 188 3 ILE HG2 H 0.843 0.005 1 21 188 3 ILE HD1 H 0.826 0.004 1 22 188 3 ILE CA C 61.042 0.109 1 23 188 3 ILE CB C 38.727 0.076 1 24 188 3 ILE CG1 C 27.428 0.058 1 25 188 3 ILE CG2 C 17.545 0.035 1 26 188 3 ILE CD1 C 12.840 0.03 1 27 188 3 ILE N N 123.186 0.115 1 28 189 4 LEU H H 8.273 0.006 1 29 189 4 LEU HA H 4.336 0.006 1 30 189 4 LEU HB2 H 1.466 0.002 2 31 189 4 LEU HB3 H 1.575 0.003 2 32 189 4 LEU HG H 1.522 0.003 1 33 189 4 LEU HD1 H 0.822 0.005 2 34 189 4 LEU HD2 H 0.883 0.003 2 35 189 4 LEU CA C 55.145 0.084 1 36 189 4 LEU CB C 41.776 0.202 1 37 189 4 LEU CG C 27.008 . 1 38 189 4 LEU CD1 C 23.846 0.137 2 39 189 4 LEU CD2 C 24.535 0.018 2 40 189 4 LEU N N 127.223 0.07 1 41 190 5 ARG H H 8.082 0.005 1 42 190 5 ARG HA H 4.339 0.008 1 43 190 5 ARG HB2 H 1.694 0.011 2 44 190 5 ARG HB3 H 1.732 0.005 2 45 190 5 ARG HG2 H 1.564 0.009 2 46 190 5 ARG HG3 H 1.520 0.007 2 47 190 5 ARG HD2 H 3.149 0.005 1 48 190 5 ARG CA C 55.539 0.072 1 49 190 5 ARG CB C 31.221 0.175 1 50 190 5 ARG CG C 27.126 0.087 1 51 190 5 ARG CD C 43.608 0.084 1 52 190 5 ARG N N 121.554 0.059 1 53 191 6 TYR H H 8.221 0.004 1 54 191 6 TYR HA H 4.739 0.008 1 55 191 6 TYR HB2 H 3.143 0.005 2 56 191 6 TYR HB3 H 2.973 0.007 2 57 191 6 TYR HD1 H 7.181 0.006 3 58 191 6 TYR HD2 H 7.181 0.006 3 59 191 6 TYR CA C 57.280 0.018 1 60 191 6 TYR CB C 38.873 0.12 1 61 191 6 TYR N N 122.003 0.107 1 62 192 7 LEU H H 8.001 0.013 1 63 192 7 LEU HA H 4.542 0.001 1 64 192 7 LEU HB2 H 1.010 0.013 2 65 192 7 LEU HB3 H 1.430 0.004 2 66 192 7 LEU HG H 1.414 0.002 1 67 192 7 LEU HD1 H 0.764 0.005 2 68 192 7 LEU HD2 H 0.618 0.005 2 69 192 7 LEU CA C 53.598 0.089 1 70 192 7 LEU CB C 43.863 0.057 1 71 192 7 LEU CG C 26.301 0.003 1 72 192 7 LEU CD1 C 26.033 0.097 2 73 192 7 LEU CD2 C 22.855 0.032 2 74 192 7 LEU N N 122.178 0.138 1 75 193 8 MET H H 8.743 0.007 1 76 193 8 MET HA H 4.042 0.005 1 77 193 8 MET HB2 H 1.919 0.008 2 78 193 8 MET HB3 H 1.705 0.008 2 79 193 8 MET HG2 H 2.673 . 2 80 193 8 MET HG3 H 2.430 0.006 2 81 193 8 MET HE H 1.419 0.004 1 82 193 8 MET CA C 55.365 0.128 1 83 193 8 MET CB C 34.406 0.049 1 84 193 8 MET CE C 16.762 0.118 1 85 193 8 MET N N 120.699 0.058 1 86 194 9 ASP H H 8.518 0.007 1 87 194 9 ASP HA H 4.862 0.005 1 88 194 9 ASP HB2 H 2.789 0.004 2 89 194 9 ASP HB3 H 2.876 0.006 2 90 194 9 ASP CA C 53.006 . 1 91 194 9 ASP CB C 40.882 0.115 1 92 194 9 ASP N N 124.231 0.1 1 93 195 10 PRO HA H 4.090 0.006 1 94 195 10 PRO HB2 H 2.313 0.004 2 95 195 10 PRO HB3 H 2.222 0.006 2 96 195 10 PRO HG2 H 1.701 0.001 1 97 195 10 PRO HD2 H 4.021 0.001 2 98 195 10 PRO HD3 H 3.827 0.0 2 99 195 10 PRO CA C 66.433 0.079 1 100 195 10 PRO CB C 32.279 0.113 1 101 196 11 ASP H H 8.422 0.004 1 102 196 11 ASP HA H 4.569 0.01 1 103 196 11 ASP HB2 H 2.656 0.009 2 104 196 11 ASP HB3 H 2.741 0.006 2 105 196 11 ASP CA C 57.814 0.108 1 106 196 11 ASP CB C 40.137 0.157 1 107 196 11 ASP N N 118.037 0.101 1 108 197 12 THR H H 7.976 0.007 1 109 197 12 THR HA H 3.833 0.008 1 110 197 12 THR HB H 4.051 0.004 1 111 197 12 THR HG2 H 0.771 0.003 1 112 197 12 THR CA C 66.826 0.004 1 113 197 12 THR CB C 68.029 0.105 1 114 197 12 THR CG2 C 22.269 0.121 1 115 197 12 THR N N 119.303 0.107 1 116 198 13 PHE H H 8.089 0.005 1 117 198 13 PHE HA H 4.015 0.009 1 118 198 13 PHE HB2 H 3.040 0.006 2 119 198 13 PHE HB3 H 3.318 0.007 2 120 198 13 PHE HD1 H 7.271 0.005 3 121 198 13 PHE HD2 H 7.271 0.005 3 122 198 13 PHE HE1 H 7.539 0.006 3 123 198 13 PHE HE2 H 7.539 0.006 3 124 198 13 PHE CA C 63.037 0.039 1 125 198 13 PHE CB C 39.307 0.034 1 126 198 13 PHE N N 123.093 0.09 1 127 199 14 THR H H 9.179 0.005 1 128 199 14 THR HA H 3.584 0.009 1 129 199 14 THR HB H 4.328 0.013 1 130 199 14 THR HG2 H 1.485 0.005 1 131 199 14 THR CA C 66.932 0.018 1 132 199 14 THR CB C 68.566 0.092 1 133 199 14 THR CG2 C 22.590 0.055 1 134 199 14 THR N N 117.234 0.136 1 135 200 15 PHE H H 8.248 0.007 1 136 201 16 ASN H H 7.351 0.003 1 137 201 16 ASN N N 115.822 . 1 138 202 17 PHE H H 8.369 0.009 1 139 202 17 PHE HE1 H 6.808 0.002 3 140 202 17 PHE HE2 H 6.808 0.002 3 141 202 17 PHE CA C 59.211 . 1 142 202 17 PHE CB C 38.110 . 1 143 202 17 PHE N N 117.424 0.021 1 144 203 18 ASN H H 5.810 0.006 1 145 203 18 ASN HA H 4.539 0.002 1 146 203 18 ASN HB3 H 2.395 0.002 1 147 203 18 ASN CA C 54.739 . 1 148 203 18 ASN CB C 37.257 . 1 149 203 18 ASN N N 114.930 0.079 1 150 204 19 ASN H H 7.064 0.009 1 151 204 19 ASN HB3 H 2.995 . 1 152 204 19 ASN N N 124.766 0.115 1 153 206 21 PRO CA C 68.029 . 1 154 206 21 PRO CB C 33.244 . 1 155 207 22 LEU H H 7.882 0.006 1 156 207 22 LEU HB2 H 1.977 . 2 157 207 22 LEU HB3 H 2.113 0.007 2 158 207 22 LEU HG H 1.614 0.003 1 159 207 22 LEU HD1 H 0.737 0.003 2 160 207 22 LEU HD2 H 0.951 0.002 2 161 207 22 LEU CA C 58.786 . 1 162 207 22 LEU CB C 40.862 0.158 1 163 207 22 LEU N N 118.686 0.056 1 164 211 26 ARG CA C 54.305 . 1 165 212 27 ARG H H 8.873 0.006 1 166 212 27 ARG CA C 59.095 0.09 1 167 212 27 ARG CB C 29.643 . 1 168 212 27 ARG N N 120.018 0.065 1 169 213 28 GLN H H 7.945 0.003 1 170 213 28 GLN HA H 3.690 0.006 1 171 213 28 GLN HB2 H 1.922 0.004 2 172 213 28 GLN HB3 H 2.020 0.004 2 173 213 28 GLN HG2 H 1.596 0.005 2 174 213 28 GLN HG3 H 1.513 0.004 2 175 213 28 GLN HE21 H 7.450 0.004 1 176 213 28 GLN HE22 H 6.800 0.004 1 177 213 28 GLN CA C 56.972 0.0 1 178 213 28 GLN CB C 28.113 0.0 1 179 213 28 GLN CG C 34.738 0.014 1 180 213 28 GLN N N 120.931 0.011 1 181 213 28 GLN NE2 N 112.549 0.009 1 182 214 29 THR H H 8.478 0.017 1 183 214 29 THR HG2 H 0.762 0.007 1 184 214 29 THR N N 118.340 0.019 1 185 215 30 TYR H H 8.239 0.016 1 186 215 30 TYR HA H 4.823 0.001 1 187 215 30 TYR HB3 H 2.488 0.007 1 188 215 30 TYR HD1 H 6.791 0.006 3 189 215 30 TYR HD2 H 6.791 0.006 3 190 215 30 TYR HE1 H 6.649 0.007 3 191 215 30 TYR HE2 H 6.649 0.007 3 192 215 30 TYR CA C 57.681 . 1 193 215 30 TYR CB C 43.837 . 1 194 215 30 TYR N N 122.737 0.017 1 195 216 31 LEU H H 9.149 0.008 1 196 216 31 LEU HA H 4.972 0.011 1 197 216 31 LEU HB2 H 0.912 0.003 2 198 216 31 LEU HB3 H 1.529 0.009 2 199 216 31 LEU HG H 0.784 0.005 1 200 216 31 LEU HD1 H -0.102 0.005 2 201 216 31 LEU HD2 H -0.380 0.005 2 202 216 31 LEU CA C 54.548 0.181 1 203 216 31 LEU CB C 46.479 0.322 1 204 216 31 LEU CG C 26.735 0.182 1 205 216 31 LEU CD1 C 24.075 0.156 2 206 216 31 LEU CD2 C 25.860 0.123 2 207 216 31 LEU N N 126.552 0.091 1 208 217 32 CYS H H 9.616 0.01 1 209 217 32 CYS HA H 5.005 0.004 1 210 217 32 CYS HB2 H 1.196 0.01 2 211 217 32 CYS HB3 H 2.681 0.004 2 212 217 32 CYS CA C 57.664 0.115 1 213 217 32 CYS CB C 27.511 0.109 1 214 217 32 CYS N N 126.038 0.03 1 215 218 33 TYR H H 9.008 0.005 1 216 218 33 TYR HA H 6.441 0.004 1 217 218 33 TYR HB2 H 2.433 0.006 2 218 218 33 TYR HB3 H 2.892 0.009 2 219 218 33 TYR HD1 H 6.823 0.005 3 220 218 33 TYR HD2 H 6.823 0.005 3 221 218 33 TYR HE1 H 6.443 0.004 3 222 218 33 TYR HE2 H 6.443 0.004 3 223 218 33 TYR CA C 54.932 0.037 1 224 218 33 TYR CB C 43.793 . 1 225 218 33 TYR N N 121.248 0.063 1 226 219 34 GLU H H 8.663 0.007 1 227 219 34 GLU HA H 5.683 0.003 1 228 219 34 GLU HB2 H 2.213 0.007 2 229 219 34 GLU HB3 H 1.966 0.011 2 230 219 34 GLU HG2 H 2.533 0.005 2 231 219 34 GLU HG3 H 2.649 0.002 2 232 219 34 GLU CA C 54.434 0.151 1 233 219 34 GLU CB C 32.888 0.012 1 234 219 34 GLU N N 112.301 0.051 1 235 220 35 VAL H H 8.003 0.007 1 236 220 35 VAL HA H 5.144 0.008 1 237 220 35 VAL HB H 2.456 0.007 1 238 220 35 VAL HG1 H 1.233 0.008 2 239 220 35 VAL HG2 H 1.313 0.004 2 240 220 35 VAL CA C 61.950 0.034 1 241 220 35 VAL CB C 35.374 0.137 1 242 220 35 VAL CG1 C 22.996 0.122 2 243 220 35 VAL CG2 C 21.633 0.099 2 244 220 35 VAL N N 119.530 0.054 1 245 221 36 GLU H H 9.218 0.007 1 246 221 36 GLU HA H 5.421 0.006 1 247 221 36 GLU HB2 H 2.002 0.003 1 248 221 36 GLU HG3 H 2.217 0.002 1 249 221 36 GLU CA C 53.864 . 1 250 221 36 GLU CB C 36.044 . 1 251 221 36 GLU N N 124.066 0.004 1 252 222 37 ARG H H 9.498 0.008 1 253 222 37 ARG HA H 5.287 0.005 1 254 222 37 ARG HB2 H 1.976 0.005 1 255 222 37 ARG HG3 H 1.197 0.004 1 256 222 37 ARG CA C 54.071 0.081 1 257 222 37 ARG CB C 33.632 0.161 1 258 222 37 ARG N N 123.148 0.194 1 259 223 38 LEU H H 8.494 0.007 1 260 223 38 LEU HA H 4.860 0.008 1 261 223 38 LEU HB3 H 1.505 0.007 1 262 223 38 LEU HG H 0.692 0.004 1 263 223 38 LEU HD1 H 0.382 0.006 2 264 223 38 LEU HD2 H -0.839 0.005 2 265 223 38 LEU CA C 54.561 0.174 1 266 223 38 LEU CB C 40.366 0.15 1 267 223 38 LEU CG C 26.327 0.08 1 268 223 38 LEU CD1 C 25.709 0.064 2 269 223 38 LEU CD2 C 20.310 0.11 2 270 223 38 LEU N N 128.146 0.073 1 271 224 39 ASP H H 9.028 0.006 1 272 224 39 ASP HA H 4.843 0.007 1 273 224 39 ASP HB2 H 2.363 0.007 2 274 224 39 ASP HB3 H 2.687 0.006 2 275 224 39 ASP CA C 52.714 0.102 1 276 224 39 ASP CB C 42.266 0.163 1 277 224 39 ASP N N 130.257 0.054 1 278 225 40 ASN H H 9.225 0.007 1 279 225 40 ASN HA H 4.206 0.007 1 280 225 40 ASN HB2 H 2.977 0.005 2 281 225 40 ASN HB3 H 2.578 0.006 2 282 225 40 ASN HD21 H 7.602 0.004 1 283 225 40 ASN HD22 H 6.811 0.007 1 284 225 40 ASN CA C 54.147 0.079 1 285 225 40 ASN CB C 37.422 0.141 1 286 225 40 ASN N N 124.549 0.15 1 287 225 40 ASN ND2 N 113.323 0.014 1 288 226 41 GLY H H 7.920 0.006 1 289 226 41 GLY HA2 H 3.251 0.012 2 290 226 41 GLY HA3 H 4.045 0.008 2 291 226 41 GLY CA C 45.428 0.136 1 292 226 41 GLY N N 102.231 0.099 1 293 227 42 THR H H 7.533 0.007 1 294 227 42 THR HA H 4.335 0.008 1 295 227 42 THR HB H 3.947 0.01 1 296 227 42 THR HG2 H 1.154 0.006 1 297 227 42 THR CA C 60.514 0.141 1 298 227 42 THR CB C 71.353 0.074 1 299 227 42 THR CG2 C 21.250 0.105 1 300 227 42 THR N N 117.201 0.103 1 301 228 43 TRP H H 8.345 0.006 1 302 228 43 TRP HA H 3.889 0.005 1 303 228 43 TRP HB2 H 2.856 0.005 2 304 228 43 TRP HB3 H 2.943 0.004 2 305 228 43 TRP HD1 H 7.164 0.002 1 306 228 43 TRP HE1 H 9.868 0.006 1 307 228 43 TRP HE3 H 6.932 0.004 1 308 228 43 TRP HZ2 H 7.273 0.004 1 309 228 43 TRP HZ3 H 6.730 0.006 1 310 228 43 TRP HH2 H 6.719 0.002 1 311 228 43 TRP CA C 56.637 0.162 1 312 228 43 TRP CB C 30.090 0.129 1 313 228 43 TRP N N 126.145 0.115 1 314 228 43 TRP NE1 N 127.933 0.033 1 315 229 44 VAL H H 9.665 0.01 1 316 229 44 VAL HA H 4.454 0.006 1 317 229 44 VAL HB H 2.173 0.005 1 318 229 44 VAL HG1 H 1.040 0.007 2 319 229 44 VAL HG2 H 1.072 0.007 2 320 229 44 VAL CA C 61.580 0.114 1 321 229 44 VAL CB C 34.168 0.116 1 322 229 44 VAL CG1 C 21.071 0.043 2 323 229 44 VAL CG2 C 21.508 0.038 2 324 229 44 VAL N N 126.841 0.055 1 325 230 45 LEU H H 8.813 0.005 1 326 230 45 LEU HA H 4.254 0.006 1 327 230 45 LEU HB3 H 1.813 0.006 1 328 230 45 LEU HG H 1.478 0.005 1 329 230 45 LEU HD1 H 0.984 0.003 2 330 230 45 LEU HD2 H 0.975 0.002 2 331 230 45 LEU CA C 56.916 0.062 1 332 230 45 LEU CB C 42.154 0.056 1 333 230 45 LEU CG C 27.280 0.025 1 334 230 45 LEU CD1 C 23.084 0.056 2 335 230 45 LEU CD2 C 25.745 0.047 2 336 230 45 LEU N N 129.538 0.051 1 337 231 46 MET H H 9.058 0.006 1 338 231 46 MET HA H 4.759 0.006 1 339 231 46 MET HB2 H 2.161 0.001 2 340 231 46 MET HB3 H 2.010 0.003 2 341 231 46 MET HG2 H 2.613 0.005 2 342 231 46 MET HG3 H 2.744 0.001 2 343 231 46 MET HE H 2.221 0.005 1 344 231 46 MET CA C 55.106 0.032 1 345 231 46 MET CB C 31.724 . 1 346 231 46 MET CE C 17.199 0.091 1 347 231 46 MET N N 127.108 0.039 1 348 232 47 ASP H H 8.453 0.004 1 349 232 47 ASP HA H 4.371 0.009 1 350 232 47 ASP HB3 H 2.724 0.006 1 351 232 47 ASP CA C 56.876 . 1 352 232 47 ASP CB C 40.487 0.115 1 353 232 47 ASP N N 123.525 0.072 1 354 233 48 GLN H H 9.256 0.005 1 355 233 48 GLN HA H 4.294 0.009 1 356 233 48 GLN HB3 H 1.904 0.007 1 357 233 48 GLN HG2 H 2.203 0.007 2 358 233 48 GLN HG3 H 1.703 0.007 2 359 233 48 GLN HE21 H 6.800 0.004 1 360 233 48 GLN HE22 H 7.551 0.005 1 361 233 48 GLN CA C 57.047 0.098 1 362 233 48 GLN CB C 27.534 0.228 1 363 233 48 GLN CG C 32.529 0.114 1 364 233 48 GLN N N 117.094 0.07 1 365 233 48 GLN NE2 N 112.315 0.048 1 366 234 49 HIS H H 8.044 0.006 1 367 234 49 HIS HA H 5.392 0.005 1 368 234 49 HIS HB2 H 3.226 0.004 2 369 234 49 HIS HB3 H 3.411 0.014 2 370 234 49 HIS HD2 H 6.798 0.004 1 371 234 49 HIS HE1 H 7.535 . 1 372 234 49 HIS CA C 53.674 0.226 1 373 234 49 HIS CB C 29.530 0.158 1 374 234 49 HIS N N 122.876 0.141 1 375 235 50 MET H H 7.214 0.005 1 376 235 50 MET HA H 5.288 0.004 1 377 235 50 MET HB2 H 2.272 0.003 2 378 235 50 MET HB3 H 2.000 0.012 2 379 235 50 MET HG3 H 2.677 0.007 1 380 235 50 MET HE H 1.961 0.003 1 381 235 50 MET CA C 54.668 0.143 1 382 235 50 MET CB C 37.478 0.203 1 383 235 50 MET CE C 17.369 0.122 1 384 235 50 MET N N 115.255 0.033 1 385 236 51 GLY H H 7.375 0.009 1 386 236 51 GLY HA2 H 4.031 0.005 2 387 236 51 GLY HA3 H 4.240 0.01 2 388 236 51 GLY CA C 45.724 0.163 1 389 236 51 GLY N N 107.631 0.184 1 390 237 52 PHE H H 8.273 0.009 1 391 237 52 PHE HA H 6.111 0.007 1 392 237 52 PHE HB2 H 3.034 0.003 2 393 237 52 PHE HB3 H 3.128 0.008 2 394 237 52 PHE HD1 H 7.190 0.004 3 395 237 52 PHE HD2 H 7.190 0.004 3 396 237 52 PHE HE1 H 7.301 0.003 3 397 237 52 PHE HE2 H 7.301 0.003 3 398 237 52 PHE HZ H 7.072 0.004 1 399 237 52 PHE CA C 55.714 0.252 1 400 237 52 PHE CB C 44.055 0.15 1 401 237 52 PHE N N 114.263 0.056 1 402 238 53 LEU H H 9.466 0.005 1 403 238 53 LEU HA H 4.725 0.008 1 404 238 53 LEU HB2 H 1.726 0.005 2 405 238 53 LEU HB3 H 1.550 0.003 2 406 238 53 LEU HD1 H 0.909 0.007 2 407 238 53 LEU HD2 H 0.792 0.007 2 408 238 53 LEU CA C 53.905 0.282 1 409 238 53 LEU CB C 47.922 0.144 1 410 238 53 LEU CD1 C 24.124 0.013 1 411 238 53 LEU N N 121.234 0.088 1 412 240 55 ASN H H 8.689 0.002 1 413 240 55 ASN HA H 4.533 0.003 1 414 240 55 ASN HB3 H 2.480 0.0 1 415 240 55 ASN CA C 56.023 . 1 416 240 55 ASN CB C 36.401 0.07 1 417 241 56 GLU H H 7.550 0.005 1 418 241 56 GLU HA H 4.298 0.003 1 419 241 56 GLU HB2 H 2.192 0.001 1 420 241 56 GLU CA C 56.232 0.14 1 421 241 56 GLU CB C 30.137 0.154 1 422 241 56 GLU N N 123.214 0.064 1 423 242 57 ALA H H 8.582 0.01 1 424 242 57 ALA HA H 4.266 0.009 1 425 242 57 ALA HB H 1.315 0.005 1 426 242 57 ALA CA C 52.234 0.127 1 427 242 57 ALA CB C 19.267 0.183 1 428 242 57 ALA N N 129.135 0.065 1 429 243 58 LYS H H 8.313 0.005 1 430 243 58 LYS HA H 4.013 0.006 1 431 243 58 LYS HB2 H 1.674 0.005 2 432 243 58 LYS HB3 H 1.613 0.004 2 433 243 58 LYS HG2 H 1.247 0.009 2 434 243 58 LYS HG3 H 1.287 0.006 2 435 243 58 LYS HD3 H 1.603 0.005 1 436 243 58 LYS HE3 H 2.901 0.005 1 437 243 58 LYS CA C 56.584 0.164 1 438 243 58 LYS CB C 33.378 0.173 1 439 243 58 LYS CG C 24.723 0.021 1 440 243 58 LYS CD C 29.383 0.04 1 441 243 58 LYS CE C 41.868 0.018 1 442 243 58 LYS N N 120.448 0.067 1 443 244 59 ASN H H 8.948 0.001 1 444 245 60 LEU H H 8.830 0.003 1 445 245 60 LEU HA H 3.970 0.009 1 446 245 60 LEU HB2 H 1.554 0.003 2 447 245 60 LEU HB3 H 1.661 0.004 2 448 245 60 LEU HG H 1.562 0.007 1 449 245 60 LEU HD1 H 0.853 0.004 2 450 245 60 LEU HD2 H 0.738 0.005 2 451 245 60 LEU CA C 56.830 0.065 1 452 245 60 LEU CB C 41.487 0.053 1 453 245 60 LEU CG C 27.282 0.065 1 454 245 60 LEU CD1 C 24.900 0.035 2 455 245 60 LEU CD2 C 22.967 0.061 2 456 246 61 LEU H H 8.167 0.011 1 457 246 61 LEU HA H 4.197 0.005 1 458 246 61 LEU HB2 H 1.621 0.004 2 459 246 61 LEU HB3 H 1.748 0.004 2 460 246 61 LEU HG H 1.648 0.005 1 461 246 61 LEU HD1 H 0.854 0.004 2 462 246 61 LEU HD2 H 0.910 0.004 2 463 246 61 LEU CA C 56.943 0.072 1 464 246 61 LEU CB C 41.406 0.113 1 465 246 61 LEU CG C 27.153 . 1 466 246 61 LEU CD1 C 23.396 0.043 2 467 246 61 LEU CD2 C 24.831 0.008 2 468 246 61 LEU N N 120.209 0.03 1 469 247 62 CYS H H 7.511 0.007 1 470 247 62 CYS HB3 H 2.893 . 1 471 247 62 CYS CA C 57.917 0.167 1 472 247 62 CYS CB C 27.834 0.317 1 473 247 62 CYS N N 114.525 0.051 1 474 248 63 GLY H H 7.855 0.014 1 475 248 63 GLY HA2 H 3.914 0.007 2 476 248 63 GLY HA3 H 3.608 0.017 2 477 248 63 GLY CA C 45.999 0.132 1 478 248 63 GLY N N 109.056 0.086 1 479 249 64 PHE H H 7.692 0.005 1 480 249 64 PHE HA H 3.929 0.003 1 481 249 64 PHE HB3 H 2.959 0.001 1 482 249 64 PHE CA C 57.093 . 1 483 249 64 PHE CB C 40.230 . 1 484 249 64 PHE N N 118.891 0.01 1 485 250 65 TYR H H 8.525 0.005 1 486 250 65 TYR HA H 4.292 . 1 487 250 65 TYR HB3 H 2.818 . 1 488 250 65 TYR N N 124.210 0.019 1 489 251 66 GLY H H 6.756 0.003 1 490 251 66 GLY CA C 43.501 . 1 491 251 66 GLY N N 117.422 0.003 1 492 252 67 ARG H H 8.254 0.005 1 493 252 67 ARG HA H 4.132 0.003 1 494 252 67 ARG HB2 H 1.159 0.0 2 495 252 67 ARG HB3 H 1.294 . 2 496 252 67 ARG HD2 H 2.963 . 1 497 252 67 ARG N N 122.090 0.026 1 498 253 68 HIS H H 8.855 0.004 1 499 253 68 HIS HB2 H 3.499 0.0 1 500 253 68 HIS HD2 H 6.903 0.003 1 501 253 68 HIS CA C 55.789 . 1 502 253 68 HIS CB C 31.585 . 1 503 253 68 HIS N N 127.069 0.031 1 504 254 69 ALA H H 8.858 0.008 1 505 254 69 ALA HA H 3.440 0.019 1 506 254 69 ALA HB H 0.917 0.005 1 507 254 69 ALA CA C 56.006 0.053 1 508 254 69 ALA CB C 18.200 0.203 1 509 254 69 ALA N N 125.257 0.034 1 510 255 70 GLU H H 12.412 0.01 1 511 255 70 GLU HA H 2.914 0.003 1 512 255 70 GLU HB2 H 1.692 0.007 2 513 255 70 GLU HB3 H 2.358 0.001 2 514 255 70 GLU HG3 H 2.748 0.001 1 515 255 70 GLU CA C 61.046 0.021 1 516 255 70 GLU CB C 27.860 0.211 1 517 255 70 GLU N N 119.308 0.143 1 518 256 71 LEU H H 6.872 0.005 1 519 256 71 LEU HA H 3.491 0.003 1 520 256 71 LEU HB2 H 1.721 0.005 2 521 256 71 LEU HB3 H 1.962 0.005 2 522 256 71 LEU HG H 0.921 0.006 1 523 256 71 LEU HD1 H 0.776 0.005 1 524 256 71 LEU CA C 56.878 0.158 1 525 256 71 LEU CB C 39.077 0.181 1 526 256 71 LEU CG C 26.320 . 1 527 256 71 LEU CD1 C 26.548 0.081 1 528 256 71 LEU N N 115.282 0.063 1 529 257 72 ARG H H 7.627 0.006 1 530 257 72 ARG HA H 3.492 0.005 1 531 257 72 ARG HB2 H 1.929 0.002 1 532 257 72 ARG CA C 59.275 0.148 1 533 257 72 ARG CB C 28.812 0.087 1 534 257 72 ARG N N 118.009 0.183 1 535 258 73 PHE H H 7.629 0.007 1 536 258 73 PHE HA H 3.508 0.005 1 537 258 73 PHE HB2 H 2.314 0.005 2 538 258 73 PHE HB3 H 3.099 0.005 2 539 258 73 PHE HD1 H 6.560 0.004 3 540 258 73 PHE HD2 H 6.560 0.004 3 541 258 73 PHE HE1 H 6.507 0.004 3 542 258 73 PHE HE2 H 6.507 0.004 3 543 258 73 PHE HZ H 6.742 0.004 1 544 258 73 PHE CA C 61.978 0.109 1 545 258 73 PHE CB C 38.689 . 1 546 258 73 PHE N N 117.570 0.145 1 547 259 74 LEU H H 7.611 0.006 1 548 259 74 LEU HA H 3.542 0.004 1 549 259 74 LEU HB2 H 2.019 0.004 2 550 259 74 LEU HB3 H 1.305 0.006 2 551 259 74 LEU HG H 2.090 0.018 1 552 259 74 LEU HD1 H 0.826 0.009 2 553 259 74 LEU HD2 H 0.264 0.004 2 554 259 74 LEU CA C 58.398 0.092 1 555 259 74 LEU CB C 38.602 0.111 1 556 259 74 LEU CG C 25.810 0.003 1 557 259 74 LEU CD1 C 26.222 0.075 2 558 259 74 LEU CD2 C 21.151 0.06 2 559 259 74 LEU N N 119.277 0.072 1 560 260 75 ASP H H 8.193 0.009 1 561 260 75 ASP HA H 4.181 0.005 1 562 260 75 ASP HB2 H 2.570 0.013 2 563 260 75 ASP HB3 H 2.782 0.017 2 564 260 75 ASP CA C 56.630 0.156 1 565 260 75 ASP CB C 40.420 0.194 1 566 260 75 ASP N N 118.435 0.113 1 567 261 76 LEU H H 7.263 0.005 1 568 261 76 LEU HA H 4.221 0.006 1 569 261 76 LEU HB2 H 1.365 0.001 2 570 261 76 LEU HB3 H 1.386 0.006 2 571 261 76 LEU HG H 1.568 0.005 1 572 261 76 LEU HD1 H 0.520 0.007 2 573 261 76 LEU HD2 H 0.386 0.005 2 574 261 76 LEU CA C 55.121 0.111 1 575 261 76 LEU CB C 42.080 0.053 1 576 261 76 LEU CG C 25.610 0.053 1 577 261 76 LEU CD1 C 25.255 0.1 2 578 261 76 LEU CD2 C 23.867 0.099 2 579 261 76 LEU N N 118.078 0.066 1 580 262 77 VAL H H 7.153 0.006 1 581 262 77 VAL HA H 3.213 0.004 1 582 262 77 VAL HB H 2.179 0.005 1 583 262 77 VAL HG1 H 0.950 0.005 2 584 262 77 VAL HG2 H 0.594 0.006 2 585 262 77 VAL CA C 68.584 0.128 1 586 262 77 VAL CB C 28.961 0.103 1 587 262 77 VAL CG1 C 21.635 0.047 2 588 262 77 VAL CG2 C 24.551 0.04 2 589 262 77 VAL N N 120.358 0.063 1 590 263 78 PRO HB3 H 2.174 0.005 1 591 263 78 PRO HG2 H 1.834 0.003 1 592 263 78 PRO HD3 H 3.541 0.003 1 593 263 78 PRO CA C 66.647 0.121 1 594 263 78 PRO CB C 30.253 0.073 1 595 264 79 SER H H 7.820 0.016 1 596 264 79 SER HA H 4.306 0.004 1 597 264 79 SER HB3 H 4.004 0.011 1 598 264 79 SER CA C 60.783 0.107 1 599 264 79 SER CB C 63.162 0.164 1 600 264 79 SER N N 112.771 0.12 1 601 265 80 LEU H H 7.927 0.005 1 602 265 80 LEU HA H 3.824 0.007 1 603 265 80 LEU HB2 H 0.966 0.012 2 604 265 80 LEU HB3 H 1.318 0.005 2 605 265 80 LEU HG H 1.545 0.006 1 606 265 80 LEU HD1 H 0.443 0.008 2 607 265 80 LEU HD2 H 0.385 0.004 2 608 265 80 LEU CA C 55.512 0.102 1 609 265 80 LEU CB C 39.760 0.197 1 610 265 80 LEU CG C 25.644 0.013 1 611 265 80 LEU CD1 C 25.012 0.057 2 612 265 80 LEU CD2 C 20.720 0.079 2 613 265 80 LEU N N 120.938 0.078 1 614 266 81 GLN H H 7.421 0.005 1 615 266 81 GLN HA H 3.799 0.009 1 616 266 81 GLN HB2 H 2.094 0.004 2 617 266 81 GLN HB3 H 2.180 0.002 2 618 266 81 GLN HG2 H 2.291 0.009 2 619 266 81 GLN HG3 H 2.251 0.01 2 620 266 81 GLN HE21 H 7.478 0.004 1 621 266 81 GLN HE22 H 6.808 0.003 1 622 266 81 GLN CA C 56.126 0.071 1 623 266 81 GLN CB C 26.370 0.209 1 624 266 81 GLN CG C 34.131 0.019 1 625 266 81 GLN N N 111.204 0.049 1 626 266 81 GLN NE2 N 112.025 0.016 1 627 267 82 LEU H H 8.734 0.003 1 628 267 82 LEU HA H 3.732 0.007 1 629 267 82 LEU HB2 H 0.675 0.012 2 630 267 82 LEU HB3 H 1.568 0.002 2 631 267 82 LEU HG H 1.341 0.008 1 632 267 82 LEU HD1 H 0.340 0.005 2 633 267 82 LEU HD2 H -0.122 0.005 2 634 267 82 LEU CA C 55.035 0.023 1 635 267 82 LEU CB C 38.420 0.076 1 636 267 82 LEU CG C 25.607 0.051 1 637 267 82 LEU CD1 C 24.045 0.049 2 638 267 82 LEU CD2 C 20.123 0.07 2 639 267 82 LEU N N 118.584 0.06 1 640 268 83 ASP H H 8.512 0.004 1 641 268 83 ASP HA H 4.873 0.007 1 642 268 83 ASP HB2 H 2.759 0.003 2 643 268 83 ASP HB3 H 3.184 0.006 2 644 268 83 ASP CA C 51.333 0.08 1 645 268 83 ASP CB C 42.566 0.085 1 646 268 83 ASP N N 126.567 0.06 1 647 269 84 PRO HA H 3.756 0.012 1 648 269 84 PRO HB3 H 1.819 0.004 1 649 269 84 PRO HD3 H 3.944 0.01 1 650 269 84 PRO CA C 63.889 0.089 1 651 269 84 PRO CB C 31.614 0.21 1 652 270 85 ALA H H 8.519 0.005 1 653 270 85 ALA HA H 4.420 0.007 1 654 270 85 ALA HB H 1.420 0.005 1 655 270 85 ALA CA C 52.335 0.092 1 656 270 85 ALA CB C 19.023 0.197 1 657 270 85 ALA N N 121.120 0.092 1 658 271 86 GLN H H 8.167 0.004 1 659 271 86 GLN HA H 4.433 0.005 1 660 271 86 GLN HB2 H 1.882 0.002 2 661 271 86 GLN HB3 H 2.188 0.002 2 662 271 86 GLN HG2 H 2.372 0.005 2 663 271 86 GLN HG3 H 2.202 0.003 2 664 271 86 GLN HE21 H 6.879 0.006 1 665 271 86 GLN HE22 H 7.735 0.004 1 666 271 86 GLN CA C 53.584 0.121 1 667 271 86 GLN CB C 29.656 0.081 1 668 271 86 GLN CG C 34.017 . 1 669 271 86 GLN N N 119.861 0.086 1 670 271 86 GLN NE2 N 113.598 0.013 1 671 272 87 ILE H H 8.254 0.004 1 672 272 87 ILE HA H 4.968 0.01 1 673 272 87 ILE HB H 1.773 0.002 1 674 272 87 ILE HG12 H 1.131 0.007 2 675 272 87 ILE HG13 H 1.454 0.005 2 676 272 87 ILE HG2 H 0.985 0.005 1 677 272 87 ILE HD1 H 0.815 0.005 1 678 272 87 ILE CA C 60.361 . 1 679 272 87 ILE CB C 39.937 . 1 680 272 87 ILE CG1 C 27.472 0.052 1 681 272 87 ILE CG2 C 17.760 0.096 1 682 272 87 ILE CD1 C 12.595 0.057 1 683 272 87 ILE N N 119.418 0.041 1 684 273 88 TYR H H 8.887 0.006 1 685 273 88 TYR HA H 5.821 0.005 1 686 273 88 TYR HB2 H 2.588 0.005 2 687 273 88 TYR HB3 H 3.046 0.007 2 688 273 88 TYR HD1 H 7.135 0.006 3 689 273 88 TYR HD2 H 7.135 0.006 3 690 273 88 TYR HE1 H 7.057 0.004 3 691 273 88 TYR HE2 H 7.057 0.004 3 692 273 88 TYR CA C 56.600 0.191 1 693 273 88 TYR CB C 42.254 . 1 694 273 88 TYR N N 122.149 0.028 1 695 274 89 ARG H H 9.281 0.003 1 696 274 89 ARG HA H 5.004 0.002 1 697 274 89 ARG HB2 H 1.555 0.004 2 698 274 89 ARG HB3 H 1.446 0.006 2 699 274 89 ARG CA C 54.559 0.0 1 700 274 89 ARG CB C 33.312 . 1 701 274 89 ARG N N 121.534 0.055 1 702 275 90 VAL H H 9.620 0.012 1 703 275 90 VAL HA H 4.711 0.007 1 704 275 90 VAL HB H 1.760 0.006 1 705 275 90 VAL HG1 H 0.636 0.01 2 706 275 90 VAL HG2 H 1.018 0.007 2 707 275 90 VAL CA C 60.956 . 1 708 275 90 VAL CB C 32.955 0.051 1 709 275 90 VAL CG1 C 22.749 0.009 2 710 275 90 VAL CG2 C 21.361 0.075 2 711 275 90 VAL N N 132.569 0.186 1 712 276 91 THR H H 8.940 0.008 1 713 276 91 THR HA H 5.190 0.004 1 714 276 91 THR HB H 3.988 0.003 1 715 276 91 THR HG2 H 0.605 0.004 1 716 276 91 THR CA C 61.658 0.1 1 717 276 91 THR CB C 70.538 0.146 1 718 276 91 THR CG2 C 21.945 0.027 1 719 276 91 THR N N 124.236 0.042 1 720 277 92 TRP H H 8.819 0.005 1 721 277 92 TRP HA H 5.637 0.005 1 722 277 92 TRP HB2 H 2.954 0.003 2 723 277 92 TRP HB3 H 3.167 0.003 2 724 277 92 TRP HD1 H 6.425 0.005 1 725 277 92 TRP HE1 H 5.505 0.004 1 726 277 92 TRP HZ2 H 6.955 0.004 1 727 277 92 TRP HH2 H 6.836 0.003 1 728 277 92 TRP CA C 52.199 0.08 1 729 277 92 TRP CB C 33.284 . 1 730 277 92 TRP N N 124.146 0.111 1 731 277 92 TRP NE1 N 118.977 0.016 1 732 278 93 PHE H H 9.588 0.007 1 733 278 93 PHE HA H 5.594 0.006 1 734 278 93 PHE HB3 H 2.961 0.008 1 735 278 93 PHE HD1 H 6.817 0.002 3 736 278 93 PHE HD2 H 6.817 0.002 3 737 278 93 PHE HE1 H 6.830 0.0 3 738 278 93 PHE HE2 H 6.830 0.0 3 739 278 93 PHE HZ H 6.861 0.001 1 740 278 93 PHE CA C 56.752 0.01 1 741 278 93 PHE CB C 39.350 . 1 742 278 93 PHE N N 123.133 0.017 1 743 279 94 ILE H H 9.827 0.006 1 744 279 94 ILE HA H 5.914 0.004 1 745 279 94 ILE HB H 1.492 0.003 1 746 279 94 ILE HG12 H 0.870 0.002 1 747 279 94 ILE HG2 H 0.971 0.004 1 748 279 94 ILE HD1 H 0.755 0.004 1 749 279 94 ILE CA C 58.177 . 1 750 279 94 ILE CB C 45.256 . 1 751 279 94 ILE CG1 C 29.368 0.098 1 752 279 94 ILE CG2 C 14.222 0.072 1 753 279 94 ILE CD1 C 14.910 0.094 1 754 279 94 ILE N N 124.985 0.078 1 755 280 95 SER H H 9.048 0.005 1 756 280 95 SER HA H 3.651 0.004 1 757 280 95 SER CB C 60.853 . 1 758 280 95 SER N N 124.281 0.04 1 759 281 96 TRP H H 6.459 0.008 1 760 281 96 TRP HA H 5.276 0.009 1 761 281 96 TRP HB2 H 2.947 0.002 2 762 281 96 TRP HB3 H 2.915 . 2 763 281 96 TRP HE1 H 9.874 0.004 1 764 281 96 TRP HE3 H 6.388 0.004 1 765 281 96 TRP HZ3 H 6.213 0.002 1 766 281 96 TRP HH2 H 6.659 0.003 1 767 281 96 TRP CA C 54.647 0.193 1 768 281 96 TRP CB C 33.907 0.003 1 769 281 96 TRP N N 115.681 0.12 1 770 281 96 TRP NE1 N 128.067 0.046 1 771 282 97 SER H H 8.480 0.006 1 772 282 97 SER HA H 4.326 0.004 1 773 282 97 SER HB2 H 3.840 0.0 2 774 282 97 SER HB3 H 3.883 0.001 2 775 282 97 SER CA C 58.250 . 1 776 282 97 SER CB C 61.429 . 1 777 282 97 SER N N 115.112 0.029 1 778 283 98 PRO HB3 H 1.799 0.005 1 779 284 99 CYS H H 8.766 0.009 1 780 284 99 CYS HA H 4.360 0.0 1 781 284 99 CYS HB3 H 3.181 0.001 1 782 284 99 CYS CA C 59.085 . 1 783 284 99 CYS CB C 30.465 0.62 1 784 284 99 CYS N N 122.664 0.039 1 785 285 100 PHE H H 9.259 0.007 1 786 285 100 PHE HB2 H 2.936 0.0 2 787 285 100 PHE HB3 H 3.066 0.006 2 788 285 100 PHE HD1 H 6.897 0.004 3 789 285 100 PHE HD2 H 6.897 0.004 3 790 285 100 PHE HE1 H 7.242 0.004 3 791 285 100 PHE HE2 H 7.242 0.004 3 792 285 100 PHE CA C 58.952 . 1 793 285 100 PHE CB C 45.205 . 1 794 285 100 PHE N N 114.960 0.102 1 795 286 101 SER H H 10.846 0.008 1 796 286 101 SER HA H 3.840 0.004 1 797 286 101 SER CA C 63.378 . 1 798 286 101 SER CB C 61.218 0.077 1 799 286 101 SER N N 119.607 0.084 1 800 287 102 TRP H H 7.873 0.003 1 801 287 102 TRP HA H 3.714 0.003 1 802 287 102 TRP HB3 H 3.172 0.004 1 803 287 102 TRP HD1 H 7.246 0.002 1 804 287 102 TRP HE1 H 10.192 0.002 1 805 287 102 TRP HZ2 H 7.603 0.003 1 806 287 102 TRP CA C 59.249 . 1 807 287 102 TRP CB C 27.244 0.123 1 808 287 102 TRP N N 117.829 0.003 1 809 287 102 TRP NE1 N 130.234 0.119 1 810 288 103 GLY H H 7.400 0.008 1 811 288 103 GLY HA2 H 4.278 0.002 2 812 288 103 GLY HA3 H 3.651 0.01 2 813 288 103 GLY CA C 46.096 0.152 1 814 288 103 GLY N N 106.297 0.117 1 815 289 104 CYS H H 7.358 0.005 1 816 289 104 CYS HA H 3.859 0.004 1 817 289 104 CYS HB2 H 3.561 0.004 2 818 289 104 CYS HB3 H 2.654 0.003 2 819 289 104 CYS CA C 66.945 0.127 1 820 289 104 CYS CB C 28.627 0.121 1 821 289 104 CYS N N 120.571 0.09 1 822 290 105 ALA H H 8.734 0.005 1 823 290 105 ALA HA H 3.831 0.007 1 824 290 105 ALA HB H 1.610 0.005 1 825 290 105 ALA CA C 56.783 0.17 1 826 290 105 ALA CB C 18.316 0.171 1 827 290 105 ALA N N 119.471 0.037 1 828 291 106 GLY H H 8.540 0.005 1 829 291 106 GLY HA2 H 3.845 0.007 2 830 291 106 GLY HA3 H 3.707 0.008 2 831 291 106 GLY CA C 46.886 0.091 1 832 291 106 GLY N N 103.828 0.042 1 833 292 107 GLU H H 7.932 0.005 1 834 292 107 GLU HA H 4.254 0.006 1 835 292 107 GLU HB2 H 2.290 0.005 2 836 292 107 GLU HB3 H 1.968 0.002 2 837 292 107 GLU CA C 59.482 0.143 1 838 292 107 GLU CB C 28.458 0.077 1 839 292 107 GLU N N 122.953 0.068 1 840 293 108 VAL H H 8.852 0.006 1 841 293 108 VAL HA H 3.663 0.006 1 842 293 108 VAL HB H 2.151 0.009 1 843 293 108 VAL HG1 H 0.655 0.005 2 844 293 108 VAL HG2 H 1.125 0.005 2 845 293 108 VAL CA C 67.298 0.189 1 846 293 108 VAL CB C 31.062 0.169 1 847 293 108 VAL CG1 C 22.745 0.125 2 848 293 108 VAL CG2 C 23.682 0.136 2 849 293 108 VAL N N 121.958 0.1 1 850 294 109 ARG H H 8.598 0.005 1 851 294 109 ARG HA H 3.794 . 1 852 294 109 ARG HB2 H 1.681 0.005 1 853 294 109 ARG CA C 60.525 0.056 1 854 294 109 ARG CB C 28.794 0.068 1 855 294 109 ARG N N 120.481 0.056 1 856 295 110 ALA H H 7.805 0.004 1 857 295 110 ALA HA H 4.100 0.007 1 858 295 110 ALA HB H 1.526 0.008 1 859 295 110 ALA CA C 55.374 0.108 1 860 295 110 ALA CB C 17.878 0.217 1 861 295 110 ALA N N 120.656 0.099 1 862 296 111 PHE H H 8.096 0.007 1 863 296 111 PHE HA H 4.322 0.005 1 864 296 111 PHE HB2 H 3.665 0.005 2 865 296 111 PHE HB3 H 3.405 0.006 2 866 296 111 PHE HD1 H 7.207 0.004 3 867 296 111 PHE HD2 H 7.207 0.004 3 868 296 111 PHE HE1 H 7.091 0.006 3 869 296 111 PHE HE2 H 7.091 0.006 3 870 296 111 PHE HZ H 6.935 0.005 1 871 296 111 PHE CA C 61.536 0.086 1 872 296 111 PHE CB C 38.844 0.238 1 873 296 111 PHE N N 119.016 0.146 1 874 297 112 LEU H H 8.584 0.008 1 875 297 112 LEU HA H 3.772 0.008 1 876 297 112 LEU HB3 H 1.539 0.003 1 877 297 112 LEU HG H 1.746 0.002 1 878 297 112 LEU HD1 H 0.774 0.005 2 879 297 112 LEU HD2 H 0.718 0.005 2 880 297 112 LEU CA C 56.695 0.025 1 881 297 112 LEU CB C 40.441 0.108 1 882 297 112 LEU CG C 25.665 . 1 883 297 112 LEU N N 120.190 0.018 1 884 298 113 GLN H H 8.145 0.005 1 885 298 113 GLN HA H 3.990 0.006 1 886 298 113 GLN HB2 H 2.264 0.002 2 887 298 113 GLN HB3 H 2.069 0.006 2 888 298 113 GLN HG2 H 2.388 0.003 2 889 298 113 GLN HG3 H 2.573 0.004 2 890 298 113 GLN HE21 H 6.724 0.004 1 891 298 113 GLN HE22 H 7.504 0.003 1 892 298 113 GLN CA C 58.468 0.124 1 893 298 113 GLN CB C 28.520 0.199 1 894 298 113 GLN CG C 34.593 0.108 1 895 298 113 GLN N N 117.637 0.064 1 896 298 113 GLN NE2 N 110.962 0.11 1 897 299 114 GLU H H 7.407 0.007 1 898 299 114 GLU HA H 4.288 0.004 1 899 299 114 GLU HB2 H 1.940 0.005 2 900 299 114 GLU HB3 H 2.036 0.009 2 901 299 114 GLU HG2 H 2.373 0.004 2 902 299 114 GLU HG3 H 2.269 0.006 2 903 299 114 GLU CA C 57.012 0.081 1 904 299 114 GLU CB C 30.880 0.199 1 905 299 114 GLU CG C 36.286 0.082 1 906 299 114 GLU N N 115.330 0.086 1 907 300 115 ASN H H 7.571 0.007 1 908 300 115 ASN HA H 5.053 0.008 1 909 300 115 ASN HB2 H 2.041 . 2 910 300 115 ASN HB3 H 1.926 0.007 2 911 300 115 ASN CA C 52.132 0.118 1 912 300 115 ASN CB C 38.079 0.1 1 913 300 115 ASN N N 119.761 0.078 1 914 301 116 THR H H 8.084 0.003 1 915 301 116 THR HA H 4.308 0.009 1 916 301 116 THR HB H 4.536 0.007 1 917 301 116 THR HG2 H 1.324 0.007 1 918 301 116 THR CA C 64.017 0.157 1 919 301 116 THR CB C 68.613 0.075 1 920 301 116 THR CG2 C 22.157 0.081 1 921 301 116 THR N N 111.090 0.099 1 922 302 117 HIS H H 9.387 0.007 1 923 302 117 HIS HA H 4.297 0.002 1 924 302 117 HIS HB2 H 3.372 0.007 2 925 302 117 HIS HB3 H 3.160 0.001 2 926 302 117 HIS HD2 H 8.140 0.008 1 927 302 117 HIS HE1 H 7.563 0.002 1 928 302 117 HIS CA C 56.742 0.111 1 929 302 117 HIS CB C 29.480 0.0 1 930 302 117 HIS N N 120.714 0.081 1 931 303 118 VAL H H 7.411 0.005 1 932 303 118 VAL HA H 4.535 0.006 1 933 303 118 VAL HB H 1.777 0.006 1 934 303 118 VAL HG1 H 0.714 0.005 2 935 303 118 VAL HG2 H 0.166 0.006 2 936 303 118 VAL CA C 61.827 0.105 1 937 303 118 VAL CB C 33.050 0.079 1 938 303 118 VAL CG1 C 21.838 0.065 2 939 303 118 VAL CG2 C 20.959 0.101 2 940 303 118 VAL N N 120.178 0.075 1 941 304 119 ARG H H 8.815 0.004 1 942 304 119 ARG HA H 4.800 0.005 1 943 304 119 ARG HB2 H 1.826 0.003 2 944 304 119 ARG HB3 H 1.710 0.002 2 945 304 119 ARG CA C 52.839 0.104 1 946 304 119 ARG CB C 30.165 0.151 1 947 304 119 ARG N N 124.843 0.008 1 948 305 120 LEU H H 9.287 0.004 1 949 305 120 LEU HA H 5.083 0.005 1 950 305 120 LEU HB2 H 0.783 0.007 2 951 305 120 LEU HB3 H 1.452 0.008 2 952 305 120 LEU HG H 0.626 0.011 1 953 305 120 LEU HD1 H -0.102 0.006 2 954 305 120 LEU HD2 H -0.547 0.005 2 955 305 120 LEU CA C 53.263 0.058 1 956 305 120 LEU CB C 46.532 0.094 1 957 305 120 LEU CG C 27.442 0.055 1 958 305 120 LEU CD1 C 26.911 0.16 2 959 305 120 LEU CD2 C 21.412 0.075 2 960 305 120 LEU N N 124.727 0.038 1 961 306 121 ARG H H 8.990 0.005 1 962 306 121 ARG HA H 4.695 0.003 1 963 306 121 ARG HB2 H 1.743 . 1 964 306 121 ARG CA C 54.173 0.113 1 965 306 121 ARG CB C 32.460 0.189 1 966 306 121 ARG N N 127.814 0.191 1 967 307 122 ILE H H 8.927 0.006 1 968 307 122 ILE HA H 4.438 0.008 1 969 307 122 ILE HB H 1.685 0.006 1 970 307 122 ILE HG12 H 1.158 0.006 1 971 307 122 ILE HG2 H 0.873 0.006 1 972 307 122 ILE HD1 H 0.620 0.007 1 973 307 122 ILE CA C 60.457 0.083 1 974 307 122 ILE CB C 41.474 0.018 1 975 307 122 ILE CG2 C 17.166 0.045 1 976 307 122 ILE CD1 C 14.979 0.079 1 977 307 122 ILE N N 123.423 0.045 1 978 308 123 PHE H H 9.301 0.006 1 979 308 123 PHE HA H 5.063 0.008 1 980 308 123 PHE HB2 H 3.154 0.01 2 981 308 123 PHE HB3 H 3.053 0.002 2 982 308 123 PHE HD1 H 6.540 0.003 3 983 308 123 PHE HD2 H 6.540 0.003 3 984 308 123 PHE HE1 H 6.898 0.002 3 985 308 123 PHE HE2 H 6.898 0.002 3 986 308 123 PHE CA C 55.796 0.05 1 987 308 123 PHE N N 126.450 0.121 1 988 309 124 ALA H H 9.081 0.007 1 989 309 124 ALA HA H 5.807 0.005 1 990 309 124 ALA HB H 1.145 0.006 1 991 309 124 ALA CA C 48.908 0.091 1 992 309 124 ALA CB C 19.745 0.105 1 993 309 124 ALA N N 124.630 0.07 1 994 310 125 ALA H H 9.023 0.006 1 995 310 125 ALA HA H 4.395 0.005 1 996 310 125 ALA HB H 1.911 0.004 1 997 310 125 ALA CA C 55.627 0.057 1 998 310 125 ALA CB C 18.754 0.242 1 999 310 125 ALA N N 126.617 0.055 1 1000 311 126 ARG H H 6.799 0.007 1 1001 311 126 ARG CA C 54.664 0.083 1 1002 311 126 ARG CB C 36.704 0.052 1 1003 311 126 ARG N N 108.127 0.132 1 1004 312 127 ILE HA H 4.302 0.001 1 1005 312 127 ILE HB H 1.730 0.006 1 1006 312 127 ILE HG12 H 1.791 0.0 2 1007 312 127 ILE HG13 H 2.075 0.002 2 1008 312 127 ILE HG2 H 0.728 0.003 1 1009 312 127 ILE HD1 H 0.952 0.003 1 1010 312 127 ILE CG2 C 18.863 0.128 1 1011 312 127 ILE CD1 C 13.189 0.043 1 1012 313 128 TYR H H 8.888 0.004 1 1013 313 128 TYR HA H 4.772 0.004 1 1014 313 128 TYR HB2 H 3.363 0.007 2 1015 313 128 TYR HB3 H 3.254 0.014 2 1016 313 128 TYR HD1 H 7.407 0.004 3 1017 313 128 TYR HD2 H 7.407 0.004 3 1018 313 128 TYR HE1 H 7.523 0.004 3 1019 313 128 TYR HE2 H 7.523 0.004 3 1020 313 128 TYR CA C 56.407 0.054 1 1021 313 128 TYR N N 130.482 0.11 1 1022 314 129 ASP H H 8.031 0.006 1 1023 314 129 ASP HA H 3.676 0.0 1 1024 314 129 ASP HB3 H 2.289 0.003 1 1025 314 129 ASP CA C 54.465 . 1 1026 314 129 ASP CB C 38.461 . 1 1027 314 129 ASP N N 123.641 0.048 1 1028 315 130 TYR H H 6.419 0.01 1 1029 315 130 TYR HA H 3.890 . 1 1030 315 130 TYR HB3 H 3.241 0.007 1 1031 315 130 TYR CA C 59.481 0.02 1 1032 315 130 TYR CB C 39.232 . 1 1033 315 130 TYR N N 116.707 0.0 1 1034 316 131 ASP H H 6.933 0.004 1 1035 316 131 ASP HB3 H 2.851 0.0 1 1036 316 131 ASP CA C 50.433 . 1 1037 316 131 ASP CB C 42.669 . 1 1038 316 131 ASP N N 117.150 0.063 1 1039 317 132 PRO CA C 64.323 0.192 1 1040 317 132 PRO CB C 31.307 . 1 1041 318 133 LEU H H 8.428 0.007 1 1042 318 133 LEU HA H 4.652 0.007 1 1043 318 133 LEU HB2 H 2.087 0.0 2 1044 318 133 LEU HB3 H 1.924 0.006 2 1045 318 133 LEU HG H 1.311 0.006 1 1046 318 133 LEU HD1 H 0.758 0.007 2 1047 318 133 LEU HD2 H 0.513 0.008 2 1048 318 133 LEU CA C 54.372 . 1 1049 318 133 LEU CB C 39.587 0.023 1 1050 318 133 LEU CG C 27.950 0.051 1 1051 318 133 LEU CD1 C 25.892 0.061 2 1052 318 133 LEU CD2 C 23.213 0.062 2 1053 318 133 LEU N N 120.366 0.054 1 1054 319 134 TYR H H 7.965 0.006 1 1055 319 134 TYR HA H 4.057 0.002 1 1056 319 134 TYR HB3 H 2.813 0.004 1 1057 319 134 TYR HD1 H 7.069 0.001 3 1058 319 134 TYR HD2 H 7.069 0.001 3 1059 319 134 TYR HE1 H 6.745 0.001 3 1060 319 134 TYR HE2 H 6.745 0.001 3 1061 319 134 TYR CA C 61.103 0.092 1 1062 319 134 TYR CB C 37.551 0.101 1 1063 319 134 TYR N N 117.496 0.121 1 1064 320 135 LYS H H 7.465 0.006 1 1065 320 135 LYS HA H 4.288 0.004 1 1066 320 135 LYS HB2 H 1.515 . 2 1067 320 135 LYS HB3 H 1.570 0.0 2 1068 320 135 LYS HG2 H 1.974 0.006 2 1069 320 135 LYS HG3 H 0.615 0.002 2 1070 320 135 LYS HD2 H 1.569 0.005 2 1071 320 135 LYS HD3 H 1.480 0.003 2 1072 320 135 LYS HE2 H 2.876 0.002 2 1073 320 135 LYS HE3 H 2.826 0.007 2 1074 320 135 LYS CA C 60.217 0.142 1 1075 320 135 LYS CB C 30.556 0.093 1 1076 320 135 LYS CG C 25.303 0.002 1 1077 320 135 LYS CD C 29.358 0.049 1 1078 320 135 LYS CE C 41.251 0.018 1 1079 320 135 LYS N N 122.215 0.035 1 1080 321 136 GLU H H 8.792 0.008 1 1081 321 136 GLU CA C 60.430 0.02 1 1082 321 136 GLU CB C 26.724 0.017 1 1083 321 136 GLU N N 121.948 0.09 1 1084 322 137 ALA H H 7.709 0.005 1 1085 322 137 ALA HA H 4.022 0.006 1 1086 322 137 ALA HB H 1.693 0.005 1 1087 322 137 ALA CA C 55.515 0.015 1 1088 322 137 ALA CB C 19.487 0.257 1 1089 322 137 ALA N N 119.888 0.128 1 1090 323 138 LEU H H 7.185 0.005 1 1091 323 138 LEU HA H 3.938 0.004 1 1092 323 138 LEU HB3 H 1.303 0.003 1 1093 323 138 LEU HG H 2.273 0.003 1 1094 323 138 LEU HD1 H 1.085 0.005 2 1095 323 138 LEU HD2 H 0.952 0.008 2 1096 323 138 LEU CA C 58.314 0.069 1 1097 323 138 LEU CB C 41.066 0.084 1 1098 323 138 LEU CD1 C 26.458 0.052 2 1099 323 138 LEU CD2 C 22.868 0.065 2 1100 323 138 LEU N N 116.305 0.064 1 1101 324 139 GLN H H 8.380 0.008 1 1102 324 139 GLN HA H 3.654 0.011 1 1103 324 139 GLN HB3 H 2.041 0.001 1 1104 324 139 GLN HG2 H 2.240 0.003 2 1105 324 139 GLN HG3 H 2.386 0.004 2 1106 324 139 GLN HE21 H 6.720 0.003 1 1107 324 139 GLN HE22 H 7.364 0.001 1 1108 324 139 GLN CA C 59.005 0.149 1 1109 324 139 GLN CB C 27.355 0.08 1 1110 324 139 GLN N N 117.427 0.061 1 1111 324 139 GLN NE2 N 109.162 0.031 1 1112 325 140 MET H H 8.199 0.008 1 1113 325 140 MET HA H 4.083 0.001 1 1114 325 140 MET HB2 H 2.025 0.005 2 1115 325 140 MET HB3 H 2.108 0.001 2 1116 325 140 MET HG2 H 2.458 0.002 2 1117 325 140 MET HG3 H 2.417 0.002 2 1118 325 140 MET HE H 2.125 0.004 1 1119 325 140 MET CA C 59.596 . 1 1120 325 140 MET CB C 32.988 . 1 1121 325 140 MET CE C 17.019 0.076 1 1122 325 140 MET N N 118.633 0.022 1 1123 326 141 LEU H H 7.929 0.005 1 1124 326 141 LEU HA H 4.376 0.001 1 1125 326 141 LEU HB2 H 1.920 0.001 2 1126 326 141 LEU HB3 H 2.061 0.002 2 1127 326 141 LEU HG H 2.099 0.004 1 1128 326 141 LEU HD1 H 0.724 0.006 2 1129 326 141 LEU HD2 H 0.862 0.008 2 1130 326 141 LEU CA C 58.571 . 1 1131 326 141 LEU CB C 40.492 0.204 1 1132 326 141 LEU CD1 C 22.824 0.063 2 1133 326 141 LEU CD2 C 25.091 . 2 1134 326 141 LEU N N 118.447 0.044 1 1135 327 142 ARG H H 7.966 0.006 1 1136 327 142 ARG HA H 4.371 0.005 1 1137 327 142 ARG HB2 H 2.145 0.013 2 1138 327 142 ARG HB3 H 1.862 0.01 2 1139 327 142 ARG HG3 H 1.541 0.011 1 1140 327 142 ARG HD2 H 3.253 0.003 1 1141 327 142 ARG CA C 58.956 0.163 1 1142 327 142 ARG CB C 27.452 0.162 1 1143 327 142 ARG N N 121.087 0.081 1 1144 328 143 ASP H H 8.912 0.007 1 1145 328 143 ASP HA H 4.388 0.003 1 1146 328 143 ASP HB2 H 2.723 0.011 2 1147 328 143 ASP HB3 H 2.859 0.008 2 1148 328 143 ASP CA C 57.001 0.168 1 1149 328 143 ASP CB C 39.241 0.117 1 1150 328 143 ASP N N 122.652 0.146 1 1151 329 144 ALA H H 7.702 0.006 1 1152 329 144 ALA HA H 4.413 0.007 1 1153 329 144 ALA HB H 1.547 0.006 1 1154 329 144 ALA CA C 52.083 0.349 1 1155 329 144 ALA CB C 19.183 0.208 1 1156 329 144 ALA N N 120.080 0.093 1 1157 330 145 GLY H H 7.957 0.004 1 1158 330 145 GLY HA2 H 3.696 0.01 2 1159 330 145 GLY HA3 H 4.350 0.006 2 1160 330 145 GLY CA C 44.481 0.185 1 1161 330 145 GLY N N 105.035 0.08 1 1162 331 146 ALA H H 8.029 0.005 1 1163 331 146 ALA HA H 4.600 0.013 1 1164 331 146 ALA HB H 0.826 0.004 1 1165 331 146 ALA CA C 51.560 0.101 1 1166 331 146 ALA CB C 17.812 0.128 1 1167 331 146 ALA N N 124.383 0.156 1 1168 332 147 GLN H H 7.985 0.009 1 1169 332 147 GLN HA H 4.383 0.006 1 1170 332 147 GLN HB2 H 1.680 0.003 2 1171 332 147 GLN HB3 H 1.815 0.006 2 1172 332 147 GLN HG2 H 2.035 0.005 2 1173 332 147 GLN HG3 H 2.245 0.007 2 1174 332 147 GLN HE21 H 7.354 0.005 1 1175 332 147 GLN HE22 H 6.697 0.006 1 1176 332 147 GLN CA C 55.029 0.179 1 1177 332 147 GLN CB C 28.970 0.116 1 1178 332 147 GLN CG C 33.451 0.111 1 1179 332 147 GLN N N 122.313 0.135 1 1180 332 147 GLN NE2 N 111.501 0.098 1 1181 333 148 VAL H H 8.612 0.005 1 1182 333 148 VAL HA H 4.643 0.01 1 1183 333 148 VAL HB H 1.903 0.006 1 1184 333 148 VAL HG1 H 0.822 0.005 2 1185 333 148 VAL HG2 H 0.730 0.004 2 1186 333 148 VAL CA C 61.381 0.119 1 1187 333 148 VAL CB C 33.073 0.125 1 1188 333 148 VAL CG1 C 21.391 0.024 2 1189 333 148 VAL CG2 C 20.817 0.101 2 1190 333 148 VAL N N 127.638 0.065 1 1191 334 149 SER H H 8.695 0.004 1 1192 334 149 SER HA H 4.663 0.01 1 1193 334 149 SER HB2 H 3.781 0.002 2 1194 334 149 SER HB3 H 3.302 0.008 2 1195 334 149 SER CA C 57.230 0.067 1 1196 334 149 SER CB C 66.696 0.057 1 1197 334 149 SER N N 120.787 0.047 1 1198 335 150 ILE H H 8.579 0.007 1 1199 335 150 ILE HA H 5.111 0.008 1 1200 335 150 ILE HB H 2.160 0.006 1 1201 335 150 ILE HG12 H 1.173 0.004 2 1202 335 150 ILE HG13 H 1.860 0.006 2 1203 335 150 ILE HG2 H 1.356 0.006 1 1204 335 150 ILE HD1 H 0.733 0.004 1 1205 335 150 ILE CA C 56.721 0.102 1 1206 335 150 ILE CB C 37.211 0.052 1 1207 335 150 ILE CG2 C 18.312 0.089 1 1208 335 150 ILE CD1 C 8.404 0.082 1 1209 335 150 ILE N N 122.695 0.111 1 1210 336 151 MET H H 8.280 0.011 1 1211 336 151 MET HA H 3.859 0.005 1 1212 336 151 MET HE H 1.554 0.002 1 1213 336 151 MET CA C 59.105 0.14 1 1214 336 151 MET CB C 33.866 0.193 1 1215 336 151 MET N N 123.789 0.146 1 1216 337 152 THR H H 9.508 0.009 1 1217 337 152 THR HA H 4.838 0.001 1 1218 337 152 THR HB H 4.770 0.006 1 1219 337 152 THR HG2 H 1.380 0.003 1 1220 337 152 THR CA C 59.805 0.147 1 1221 337 152 THR CB C 72.025 0.171 1 1222 337 152 THR CG2 C 22.141 0.026 1 1223 337 152 THR N N 117.767 0.111 1 1224 338 153 TYR H H 9.675 0.005 1 1225 338 153 TYR HA H 4.118 0.0 1 1226 338 153 TYR HB3 H 3.121 0.004 1 1227 338 153 TYR HD1 H 7.063 0.004 3 1228 338 153 TYR HD2 H 7.063 0.004 3 1229 338 153 TYR HE1 H 6.720 0.003 3 1230 338 153 TYR HE2 H 6.720 0.003 3 1231 338 153 TYR CA C 64.680 0.188 1 1232 338 153 TYR CB C 39.312 0.062 1 1233 338 153 TYR N N 121.582 0.067 1 1234 339 154 ASP H H 8.229 0.005 1 1235 339 154 ASP HB2 H 2.312 0.002 2 1236 339 154 ASP HB3 H 2.592 0.005 2 1237 339 154 ASP CA C 58.065 0.049 1 1238 339 154 ASP CB C 40.168 0.156 1 1239 339 154 ASP N N 114.837 0.134 1 1240 340 155 GLU H H 7.399 0.005 1 1241 340 155 GLU HA H 3.920 0.0 1 1242 340 155 GLU HB2 H 1.554 0.003 1 1243 340 155 GLU HG2 H 2.270 0.0 2 1244 340 155 GLU HG3 H 2.047 0.001 2 1245 340 155 GLU CA C 61.441 0.176 1 1246 340 155 GLU CB C 28.922 0.101 1 1247 340 155 GLU N N 116.923 0.074 1 1248 341 156 PHE H H 7.957 0.006 1 1249 341 156 PHE HA H 3.835 0.003 1 1250 341 156 PHE HB2 H 2.758 0.002 2 1251 341 156 PHE HB3 H 2.586 0.005 2 1252 341 156 PHE HD1 H 7.054 0.003 3 1253 341 156 PHE HD2 H 7.054 0.003 3 1254 341 156 PHE HZ H 6.974 0.003 1 1255 341 156 PHE CA C 63.071 0.036 1 1256 341 156 PHE CB C 39.973 . 1 1257 341 156 PHE N N 119.451 0.046 1 1258 342 157 GLU H H 8.208 0.004 1 1259 342 157 GLU HA H 4.104 0.007 1 1260 342 157 GLU HB2 H 2.025 0.002 2 1261 342 157 GLU HB3 H 2.124 0.005 2 1262 342 157 GLU HG3 H 2.433 0.009 1 1263 342 157 GLU CA C 59.537 0.047 1 1264 342 157 GLU CB C 28.379 0.133 1 1265 342 157 GLU N N 118.637 0.106 1 1266 343 158 TYR H H 7.383 0.006 1 1267 343 158 TYR HA H 4.009 0.006 1 1268 343 158 TYR HB3 H 3.031 0.004 1 1269 343 158 TYR HD1 H 6.561 0.005 3 1270 343 158 TYR HD2 H 6.561 0.005 3 1271 343 158 TYR HE1 H 6.661 0.004 3 1272 343 158 TYR HE2 H 6.661 0.004 3 1273 343 158 TYR CA C 58.576 . 1 1274 343 158 TYR CB C 40.899 . 1 1275 343 158 TYR N N 115.934 0.002 1 1276 344 159 CYS H H 7.881 0.007 1 1277 344 159 CYS HA H 3.893 0.0 1 1278 344 159 CYS HB2 H 2.578 0.001 2 1279 344 159 CYS HB3 H 2.660 0.009 2 1280 344 159 CYS CA C 64.373 0.041 1 1281 344 159 CYS CB C 26.912 0.041 1 1282 344 159 CYS N N 118.067 0.049 1 1283 345 160 TRP H H 7.921 0.006 1 1284 345 160 TRP HA H 3.789 0.01 1 1285 345 160 TRP HB2 H 3.241 0.003 2 1286 345 160 TRP HB3 H 3.043 0.007 2 1287 345 160 TRP HD1 H 7.523 0.002 1 1288 345 160 TRP HE1 H 10.105 0.004 1 1289 345 160 TRP HE3 H 7.558 0.006 1 1290 345 160 TRP HZ2 H 7.171 0.003 1 1291 345 160 TRP HZ3 H 7.070 0.003 1 1292 345 160 TRP HH2 H 7.287 0.003 1 1293 345 160 TRP CA C 59.609 0.095 1 1294 345 160 TRP CB C 28.560 0.173 1 1295 345 160 TRP N N 122.705 0.032 1 1296 345 160 TRP NE1 N 131.413 0.024 1 1297 346 161 ASP H H 8.024 0.007 1 1298 346 161 ASP HA H 3.941 0.006 1 1299 346 161 ASP HB3 H 2.559 0.004 1 1300 346 161 ASP CA C 56.033 0.002 1 1301 346 161 ASP CB C 39.806 0.1 1 1302 346 161 ASP N N 113.558 0.107 1 1303 347 162 THR H H 7.409 0.007 1 1304 347 162 THR HA H 3.557 0.012 1 1305 347 162 THR HB H 2.631 0.005 1 1306 347 162 THR HG2 H -0.031 0.004 1 1307 347 162 THR CA C 65.263 0.105 1 1308 347 162 THR CB C 69.619 . 1 1309 347 162 THR CG2 C 20.844 0.189 1 1310 347 162 THR N N 114.940 0.127 1 1311 348 163 PHE H H 8.225 0.007 1 1312 348 163 PHE HA H 4.522 0.003 1 1313 348 163 PHE HB2 H 3.059 0.004 2 1314 348 163 PHE HB3 H 3.121 0.014 2 1315 348 163 PHE HD1 H 7.136 0.002 3 1316 348 163 PHE HD2 H 7.136 0.002 3 1317 348 163 PHE HE1 H 7.272 0.006 3 1318 348 163 PHE HE2 H 7.272 0.006 3 1319 348 163 PHE N N 114.617 0.076 1 1320 349 164 VAL H H 6.517 0.005 1 1321 349 164 VAL HA H 4.116 0.011 1 1322 349 164 VAL HB H 1.691 0.006 1 1323 349 164 VAL HG1 H 0.027 0.005 2 1324 349 164 VAL HG2 H -0.294 0.005 2 1325 349 164 VAL CA C 60.724 0.131 1 1326 349 164 VAL CB C 31.973 0.198 1 1327 349 164 VAL CG1 C 23.439 0.045 2 1328 349 164 VAL CG2 C 20.112 0.109 2 1329 349 164 VAL N N 118.164 0.15 1 1330 350 165 TYR H H 8.813 0.003 1 1331 350 165 TYR HD1 H 7.069 0.002 3 1332 350 165 TYR HD2 H 7.069 0.002 3 1333 350 165 TYR CA C 53.612 . 1 1334 350 165 TYR CB C 36.014 . 1 1335 350 165 TYR N N 128.633 0.074 1 1336 351 166 ARG H H 7.790 0.007 1 1337 351 166 ARG HD2 H 1.848 0.009 2 1338 351 166 ARG HD3 H 0.318 0.006 2 1339 351 166 ARG CA C 55.262 0.087 1 1340 351 166 ARG CB C 29.912 0.077 1 1341 351 166 ARG CD C 43.029 . 1 1342 351 166 ARG N N 114.926 0.045 1 1343 352 167 GLN H H 8.673 0.007 1 1344 352 167 GLN HA H 3.680 0.003 1 1345 352 167 GLN CA C 56.669 0.115 1 1346 352 167 GLN CB C 27.479 0.28 1 1347 352 167 GLN N N 120.688 0.048 1 1348 353 168 GLY H H 8.234 0.009 1 1349 353 168 GLY HA2 H 4.762 . 2 1350 353 168 GLY HA3 H 3.646 0.001 2 1351 353 168 GLY CA C 45.361 0.07 1 1352 353 168 GLY N N 105.285 0.093 1 1353 354 169 CYS H H 7.706 0.007 1 1354 354 169 CYS HA H 4.776 0.01 1 1355 354 169 CYS HB2 H 3.277 0.006 2 1356 354 169 CYS HB3 H 3.082 0.009 2 1357 354 169 CYS CA C 57.793 0.126 1 1358 354 169 CYS CB C 27.621 0.158 1 1359 354 169 CYS N N 121.189 0.098 1 1360 355 170 PRO HA H 4.796 0.001 1 1361 355 170 PRO HB3 H 1.895 0.002 1 1362 355 170 PRO CA C 62.239 0.187 1 1363 355 170 PRO CB C 32.116 0.078 1 1364 356 171 PHE H H 9.252 0.003 1 1365 356 171 PHE HA H 2.957 0.001 1 1366 356 171 PHE HB2 H 2.441 0.001 2 1367 356 171 PHE HB3 H 2.332 0.007 2 1368 356 171 PHE HD1 H 6.370 0.004 3 1369 356 171 PHE HD2 H 6.370 0.004 3 1370 356 171 PHE HE1 H 6.552 0.005 3 1371 356 171 PHE HE2 H 6.552 0.005 3 1372 356 171 PHE HZ H 5.805 0.005 1 1373 356 171 PHE CA C 57.631 0.137 1 1374 356 171 PHE CB C 39.568 0.11 1 1375 356 171 PHE N N 121.862 0.094 1 1376 357 172 GLN H H 7.237 0.006 1 1377 357 172 GLN HA H 4.276 0.004 1 1378 357 172 GLN HB2 H 1.512 0.0 2 1379 357 172 GLN HB3 H 1.575 0.0 2 1380 357 172 GLN HG3 H 1.963 0.007 1 1381 357 172 GLN HE21 H 6.789 0.005 1 1382 357 172 GLN HE22 H 7.310 0.003 1 1383 357 172 GLN CA C 50.528 . 1 1384 357 172 GLN CB C 28.947 . 1 1385 357 172 GLN N N 128.925 0.059 1 1386 357 172 GLN NE2 N 112.509 0.046 1 1387 358 173 PRO HA H 2.793 0.004 1 1388 358 173 PRO HB2 H 1.790 0.006 2 1389 358 173 PRO HB3 H 1.645 0.009 2 1390 358 173 PRO HG2 H 1.806 0.004 2 1391 358 173 PRO HG3 H 1.922 0.001 2 1392 358 173 PRO HD3 H 3.484 0.003 1 1393 358 173 PRO CA C 62.221 . 1 1394 358 173 PRO CB C 31.830 . 1 1395 359 174 TRP H H 5.520 0.005 1 1396 359 174 TRP HA H 4.647 0.006 1 1397 359 174 TRP HB2 H 3.263 0.004 2 1398 359 174 TRP HB3 H 3.394 0.005 2 1399 359 174 TRP HD1 H 7.027 0.004 1 1400 359 174 TRP HE1 H 10.169 0.005 1 1401 359 174 TRP HE3 H 7.638 0.006 1 1402 359 174 TRP HZ2 H 6.309 0.004 1 1403 359 174 TRP HZ3 H 7.125 0.005 1 1404 359 174 TRP CA C 54.904 0.081 1 1405 359 174 TRP CB C 28.680 0.087 1 1406 359 174 TRP N N 117.710 0.059 1 1407 359 174 TRP NE1 N 129.307 0.026 1 1408 360 175 ASP H H 8.776 0.006 1 1409 360 175 ASP HA H 4.368 0.008 1 1410 360 175 ASP HB2 H 2.678 0.004 2 1411 360 175 ASP HB3 H 2.644 0.008 2 1412 360 175 ASP CA C 55.999 0.093 1 1413 360 175 ASP CB C 40.731 0.22 1 1414 360 175 ASP N N 121.753 0.08 1 1415 361 176 GLY H H 8.890 0.003 1 1416 361 176 GLY HA2 H 3.910 0.006 2 1417 361 176 GLY HA3 H 3.811 0.004 2 1418 361 176 GLY CA C 45.552 0.27 1 1419 361 176 GLY N N 111.636 0.051 1 1420 362 177 LEU H H 6.994 0.005 1 1421 362 177 LEU HA H 4.467 0.01 1 1422 362 177 LEU HB3 H 1.331 0.002 1 1423 362 177 LEU HG H 1.387 0.01 1 1424 362 177 LEU HD1 H 1.030 0.009 2 1425 362 177 LEU HD2 H -0.269 0.005 2 1426 362 177 LEU CA C 60.557 0.136 1 1427 362 177 LEU CB C 42.375 0.208 1 1428 362 177 LEU CD1 C 23.652 0.097 2 1429 362 177 LEU CD2 C 27.989 0.014 2 1430 362 177 LEU N N 120.230 0.11 1 1431 363 178 GLU H H 9.310 0.009 1 1432 363 178 GLU HA H 4.123 0.007 1 1433 363 178 GLU HB2 H 2.106 0.003 2 1434 363 178 GLU HB3 H 2.032 0.004 2 1435 363 178 GLU HG3 H 2.398 0.006 1 1436 363 178 GLU CA C 60.169 0.095 1 1437 363 178 GLU CB C 29.186 0.097 1 1438 363 178 GLU CG C 36.840 0.013 1 1439 363 178 GLU N N 119.663 0.066 1 1440 364 179 GLU H H 8.396 0.008 1 1441 364 179 GLU HA H 4.006 0.007 1 1442 364 179 GLU HB2 H 1.806 0.002 2 1443 364 179 GLU HB3 H 1.961 0.006 2 1444 364 179 GLU CA C 60.278 . 1 1445 364 179 GLU CB C 28.474 . 1 1446 364 179 GLU N N 122.734 0.053 1 1447 365 180 HIS H H 8.864 0.003 1 1448 365 180 HIS HA H 4.829 0.002 1 1449 365 180 HIS HB2 H 3.167 0.003 1 1450 365 180 HIS CA C 59.204 . 1 1451 366 181 SER H H 8.579 0.004 1 1452 366 181 SER HA H 4.262 0.004 1 1453 366 181 SER CA C 62.910 . 1 1454 366 181 SER N N 115.853 0.135 1 1455 367 182 GLN H H 8.651 0.005 1 1456 367 182 GLN HA H 4.239 0.012 1 1457 367 182 GLN HB2 H 2.309 0.008 2 1458 367 182 GLN HB3 H 2.240 0.02 2 1459 367 182 GLN HG2 H 2.659 0.005 2 1460 367 182 GLN HG3 H 2.535 0.004 2 1461 367 182 GLN HE21 H 7.621 0.003 1 1462 367 182 GLN HE22 H 6.870 0.006 1 1463 367 182 GLN CA C 59.312 0.109 1 1464 367 182 GLN CB C 28.397 0.17 1 1465 367 182 GLN CG C 34.001 0.055 1 1466 367 182 GLN N N 122.660 0.041 1 1467 367 182 GLN NE2 N 111.721 0.008 1 1468 368 183 ALA H H 8.287 0.005 1 1469 368 183 ALA HA H 4.309 0.018 1 1470 368 183 ALA HB H 1.736 0.006 1 1471 368 183 ALA CA C 55.414 0.068 1 1472 368 183 ALA CB C 18.193 0.097 1 1473 368 183 ALA N N 124.294 0.133 1 1474 369 184 LEU H H 8.683 0.005 1 1475 369 184 LEU HA H 4.176 0.004 1 1476 369 184 LEU HB2 H 1.750 0.001 2 1477 369 184 LEU HB3 H 2.392 0.009 2 1478 369 184 LEU HG H 2.117 0.009 1 1479 369 184 LEU HD1 H 1.182 0.006 2 1480 369 184 LEU HD2 H 1.415 0.006 2 1481 369 184 LEU CA C 58.290 0.09 1 1482 369 184 LEU CB C 43.175 . 1 1483 369 184 LEU CG C 27.730 0.06 1 1484 369 184 LEU CD1 C 24.854 0.035 2 1485 369 184 LEU CD2 C 26.867 0.113 2 1486 369 184 LEU N N 120.460 0.008 1 1487 370 185 SER H H 8.960 0.004 1 1488 370 185 SER HA H 4.206 0.006 1 1489 370 185 SER HB3 H 4.031 0.01 1 1490 370 185 SER CA C 62.605 0.059 1 1491 370 185 SER CB C 62.593 0.046 1 1492 370 185 SER N N 117.035 0.083 1 1493 371 186 GLY H H 8.210 0.004 1 1494 371 186 GLY HA3 H 4.141 0.0 1 1495 371 186 GLY CA C 47.316 0.074 1 1496 371 186 GLY N N 110.044 0.114 1 1497 372 187 ARG H H 7.825 0.006 1 1498 372 187 ARG HA H 4.198 0.002 1 1499 372 187 ARG HB2 H 2.059 0.004 1 1500 372 187 ARG CA C 59.584 0.023 1 1501 372 187 ARG CB C 30.182 0.114 1 1502 372 187 ARG N N 123.155 0.103 1 1503 373 188 LEU H H 8.787 0.005 1 1504 373 188 LEU HA H 4.214 0.004 1 1505 373 188 LEU HB3 H 1.547 0.003 1 1506 373 188 LEU HD1 H 0.957 0.009 1 1507 373 188 LEU CA C 58.238 0.036 1 1508 373 188 LEU CB C 40.830 0.142 1 1509 373 188 LEU N N 119.791 0.081 1 1510 374 189 ARG H H 8.261 0.006 1 1511 374 189 ARG HA H 4.017 0.007 1 1512 374 189 ARG HB2 H 2.019 0.007 2 1513 374 189 ARG HB3 H 1.942 0.009 2 1514 374 189 ARG HG2 H 1.628 0.007 2 1515 374 189 ARG HG3 H 1.860 0.006 2 1516 374 189 ARG HD2 H 3.284 0.006 2 1517 374 189 ARG HD3 H 3.232 0.005 2 1518 374 189 ARG CA C 59.705 0.181 1 1519 374 189 ARG CB C 29.949 0.267 1 1520 374 189 ARG CG C 27.881 0.043 1 1521 374 189 ARG CD C 43.622 0.062 1 1522 374 189 ARG N N 118.555 0.065 1 1523 375 190 ALA H H 7.399 0.005 1 1524 375 190 ALA HA H 4.209 0.006 1 1525 375 190 ALA HB H 1.559 0.006 1 1526 375 190 ALA CA C 54.771 0.218 1 1527 375 190 ALA CB C 17.842 0.202 1 1528 375 190 ALA N N 119.354 0.096 1 1529 376 191 ILE H H 7.840 0.006 1 1530 376 191 ILE HA H 3.763 0.006 1 1531 376 191 ILE HB H 2.080 0.003 1 1532 376 191 ILE HG12 H 2.104 0.0 2 1533 376 191 ILE HG13 H 2.137 0.002 2 1534 376 191 ILE HG2 H 0.929 0.005 1 1535 376 191 ILE HD1 H 1.049 0.004 1 1536 376 191 ILE CA C 64.857 0.141 1 1537 376 191 ILE CB C 39.694 0.13 1 1538 376 191 ILE CG2 C 17.867 0.085 1 1539 376 191 ILE CD1 C 15.428 0.114 1 1540 376 191 ILE N N 118.967 0.103 1 1541 377 192 LEU H H 8.299 0.004 1 1542 377 192 LEU HA H 4.264 0.004 1 1543 377 192 LEU HB2 H 1.570 0.001 2 1544 377 192 LEU HB3 H 1.928 0.001 2 1545 377 192 LEU HD1 H 0.939 0.002 1 1546 377 192 LEU CA C 55.693 0.151 1 1547 377 192 LEU CB C 40.849 0.115 1 1548 377 192 LEU N N 116.267 0.091 1 1549 378 193 GLN H H 7.928 0.004 1 1550 378 193 GLN HA H 4.269 0.005 1 1551 378 193 GLN HB3 H 2.162 0.003 1 1552 378 193 GLN HG3 H 2.404 0.009 1 1553 378 193 GLN CA C 56.541 0.097 1 1554 378 193 GLN CB C 28.146 0.231 1 1555 378 193 GLN N N 118.372 0.085 1 1556 379 194 ASN H H 8.119 0.009 1 1557 379 194 ASN HA H 4.667 0.017 1 1558 379 194 ASN HB2 H 2.837 0.014 2 1559 379 194 ASN HB3 H 2.772 0.023 2 1560 379 194 ASN HD21 H 6.912 0.004 1 1561 379 194 ASN HD22 H 7.580 0.005 1 1562 379 194 ASN CA C 53.572 0.072 1 1563 379 194 ASN CB C 38.704 0.172 1 1564 379 194 ASN N N 118.580 0.042 1 1565 379 194 ASN ND2 N 112.843 0.034 1 1566 380 195 GLN H H 8.497 0.005 1 1567 380 195 GLN HA H 4.332 0.01 1 1568 380 195 GLN HB2 H 1.958 0.005 2 1569 380 195 GLN HB3 H 2.152 0.007 2 1570 380 195 GLN HG2 H 2.415 . 2 1571 380 195 GLN HG3 H 2.353 0.008 2 1572 380 195 GLN HE21 H 6.851 0.012 1 1573 380 195 GLN HE22 H 7.497 0.003 1 1574 380 195 GLN CA C 56.234 0.115 1 1575 380 195 GLN CB C 29.308 0.264 1 1576 380 195 GLN CG C 33.877 0.035 1 1577 380 195 GLN N N 120.784 0.085 1 1578 380 195 GLN NE2 N 112.108 0.034 1 1579 381 196 GLY H H 8.434 0.004 1 1580 381 196 GLY HA3 H 3.925 0.002 1 1581 381 196 GLY CA C 45.301 0.036 1 1582 381 196 GLY N N 109.559 0.029 1 1583 382 197 ASN H H 8.357 0.002 1 1584 382 197 ASN HA H 4.685 0.022 1 1585 382 197 ASN HB2 H 2.717 0.007 2 1586 382 197 ASN HB3 H 2.791 0.012 2 1587 382 197 ASN HD21 H 6.885 0.002 1 1588 382 197 ASN HD22 H 7.592 0.008 1 1589 382 197 ASN CA C 53.418 0.181 1 1590 382 197 ASN CB C 38.596 0.179 1 1591 382 197 ASN N N 118.659 0.088 1 1592 382 197 ASN ND2 N 112.636 0.039 1 1593 383 198 LEU H H 8.259 0.005 1 1594 383 198 LEU HA H 4.265 0.006 1 1595 383 198 LEU HB2 H 1.568 0.001 2 1596 383 198 LEU HB3 H 1.524 0.013 2 1597 383 198 LEU HG H 1.573 0.004 1 1598 383 198 LEU HD1 H 0.799 0.005 2 1599 383 198 LEU HD2 H 0.877 0.003 2 1600 383 198 LEU CA C 55.309 0.147 1 1601 383 198 LEU CB C 41.701 0.158 1 1602 383 198 LEU CG C 26.914 0.001 1 1603 383 198 LEU CD1 C 23.411 0.018 2 1604 383 198 LEU CD2 C 24.897 0.003 2 1605 383 198 LEU N N 122.433 0.072 1 1606 384 199 GLU H H 8.306 0.004 1 1607 384 199 GLU HA H 4.170 0.01 1 1608 384 199 GLU HB2 H 1.832 0.005 2 1609 384 199 GLU HB3 H 1.880 0.006 2 1610 384 199 GLU HG2 H 2.180 0.005 2 1611 384 199 GLU HG3 H 2.116 0.004 2 1612 384 199 GLU CA C 56.607 0.053 1 1613 384 199 GLU CB C 30.129 0.112 1 1614 384 199 GLU CG C 36.220 0.031 1 1615 384 199 GLU N N 121.077 0.053 1 1616 385 200 HIS H H 8.331 0.006 1 1617 385 200 HIS N N 119.501 0.034 1 1618 387 202 HIS HA H 4.567 0.001 1 1619 387 202 HIS HB2 H 2.950 . 2 1620 387 202 HIS HB3 H 3.019 . 2 1621 387 202 HIS CA C 55.998 . 1 1622 388 203 HIS HA H 4.491 0.001 1 1623 388 203 HIS HB2 H 2.902 . 2 1624 388 203 HIS HB3 H 2.983 . 2 1625 388 203 HIS CA C 56.626 0.032 1 1626 388 203 HIS CB C 29.649 . 1 1627 389 204 HIS H H 8.233 0.007 1 1628 389 204 HIS HA H 4.579 0.01 1 1629 389 204 HIS HB2 H 3.100 . 2 1630 389 204 HIS HB3 H 3.042 . 2 1631 389 204 HIS CA C 56.122 0.16 1 1632 389 204 HIS CB C 30.045 0.067 1 1633 389 204 HIS N N 120.159 0.059 1 1634 390 205 HIS H H 8.044 0.008 1 1635 390 205 HIS HA H 4.395 0.005 1 1636 390 205 HIS HB2 H 3.154 0.003 2 1637 390 205 HIS HB3 H 3.029 0.007 2 1638 390 205 HIS CA C 57.459 0.029 1 1639 390 205 HIS CB C 30.415 0.142 1 1640 390 205 HIS N N 125.601 0.022 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label $13C_15N_A3B-CTD $2H_13C_15N_A3B-CTD stop_ _Sample_conditions_label $H2O _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'A3B CTD' _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 1 188 3 ILE H H 8.347 . 1 2 188 3 ILE N N 123.218 . 1 3 189 4 LEU H H 8.269 . 1 4 189 4 LEU N N 127.215 . 1 5 190 5 ARG H H 8.105 . 1 6 190 5 ARG N N 121.584 . 1 7 191 6 TYR H H 8.231 . 1 8 191 6 TYR N N 121.960 . 1 9 192 7 LEU H H 7.958 . 1 10 192 7 LEU N N 122.011 . 1 11 193 8 MET H H 8.730 . 1 12 193 8 MET N N 120.766 . 1 13 196 11 ASP H H 8.443 . 1 14 196 11 ASP N N 118.270 . 1 15 197 12 THR H H 7.896 . 1 16 197 12 THR N N 118.949 . 1 17 198 13 PHE H H 8.000 . 1 18 198 13 PHE N N 123.178 . 1 19 199 14 THR H H 9.066 . 1 20 199 14 THR N N 116.295 . 1 21 202 17 PHE H H 8.424 . 1 22 202 17 PHE N N 117.493 . 1 23 203 18 ASN H H 5.915 . 1 24 203 18 ASN N N 114.115 . 1 25 204 19 ASN H H 7.109 . 1 26 204 19 ASN N N 123.717 . 1 27 212 27 ARG H H 8.997 . 1 28 212 27 ARG N N 120.085 . 1 29 213 28 GLN HE21 H 7.446 . 1 30 213 28 GLN NE2 N 112.598 . 1 31 215 30 TYR H H 8.261 . 1 32 215 30 TYR N N 122.451 . 1 33 216 31 LEU H H 9.214 . 1 34 216 31 LEU N N 125.688 . 1 35 217 32 CYS H H 9.661 . 1 36 217 32 CYS N N 125.975 . 1 37 218 33 TYR H H 9.005 . 1 38 218 33 TYR N N 121.163 . 1 39 219 34 GLU H H 8.698 . 1 40 219 34 GLU N N 112.564 . 1 41 220 35 VAL H H 8.067 . 1 42 220 35 VAL N N 119.658 . 1 43 221 36 GLU H H 9.241 . 1 44 221 36 GLU N N 124.205 . 1 45 222 37 ARG H H 9.504 . 1 46 222 37 ARG N N 123.253 . 1 47 223 38 LEU H H 8.508 . 1 48 223 38 LEU N N 128.193 . 1 49 224 39 ASP H H 9.028 . 1 50 224 39 ASP N N 130.406 . 1 51 225 40 ASN H H 9.241 . 1 52 225 40 ASN HD21 H 7.614 . 1 53 225 40 ASN HD22 H 6.823 . 1 54 225 40 ASN N N 124.532 . 1 55 225 40 ASN ND2 N 113.376 0.009 1 56 226 41 GLY H H 7.949 . 1 57 226 41 GLY N N 102.248 . 1 58 227 42 THR H H 7.535 . 1 59 227 42 THR N N 117.200 . 1 60 228 43 TRP H H 8.348 . 1 61 228 43 TRP HE1 H 9.876 . 1 62 228 43 TRP N N 126.260 . 1 63 228 43 TRP NE1 N 128.022 . 1 64 229 44 VAL H H 9.666 . 1 65 229 44 VAL N N 126.785 . 1 66 230 45 LEU H H 8.829 . 1 67 230 45 LEU N N 129.641 . 1 68 231 46 MET H H 9.023 . 1 69 231 46 MET N N 126.813 . 1 70 233 48 GLN H H 9.265 . 1 71 233 48 GLN HE22 H 7.565 . 1 72 233 48 GLN N N 117.072 . 1 73 233 48 GLN NE2 N 112.424 . 1 74 234 49 HIS H H 8.026 . 1 75 234 49 HIS N N 122.721 . 1 76 235 50 MET H H 7.211 . 1 77 235 50 MET N N 115.277 . 1 78 236 51 GLY H H 7.448 . 1 79 236 51 GLY N N 107.795 . 1 80 237 52 PHE H H 8.309 . 1 81 237 52 PHE N N 114.277 . 1 82 238 53 LEU H H 9.501 . 1 83 238 53 LEU N N 120.381 . 1 84 241 56 GLU H H 7.541 . 1 85 241 56 GLU N N 123.128 . 1 86 243 58 LYS H H 8.312 . 1 87 243 58 LYS N N 120.204 . 1 88 246 61 LEU H H 8.161 . 1 89 246 61 LEU N N 120.287 . 1 90 247 62 CYS H H 7.514 . 1 91 247 62 CYS N N 114.751 . 1 92 248 63 GLY H H 7.876 . 1 93 248 63 GLY N N 109.375 . 1 94 249 64 PHE H H 7.755 . 1 95 249 64 PHE N N 119.131 . 1 96 250 65 TYR H H 8.510 . 1 97 250 65 TYR N N 124.339 . 1 98 251 66 GLY H H 6.796 . 1 99 251 66 GLY N N 117.471 . 1 100 252 67 ARG H H 8.246 . 1 101 252 67 ARG N N 121.978 . 1 102 253 68 HIS H H 8.999 . 1 103 253 68 HIS N N 126.825 . 1 104 254 69 ALA H H 8.801 . 1 105 254 69 ALA N N 125.783 . 1 106 255 70 GLU H H 12.559 . 1 107 255 70 GLU N N 119.645 . 1 108 256 71 LEU H H 6.632 . 1 109 256 71 LEU N N 115.243 . 1 110 257 72 ARG H H 7.585 . 1 111 257 72 ARG N N 118.084 . 1 112 258 73 PHE H H 7.669 . 1 113 258 73 PHE N N 117.640 . 1 114 259 74 LEU H H 7.674 . 1 115 259 74 LEU N N 119.582 . 1 116 260 75 ASP H H 8.195 . 1 117 260 75 ASP N N 118.502 . 1 118 261 76 LEU H H 7.274 . 1 119 261 76 LEU N N 117.894 . 1 120 262 77 VAL H H 7.166 . 1 121 262 77 VAL N N 120.464 . 1 122 264 79 SER H H 7.812 . 1 123 264 79 SER N N 112.744 . 1 124 265 80 LEU H H 7.918 . 1 125 265 80 LEU N N 121.001 . 1 126 266 81 GLN H H 7.419 . 1 127 266 81 GLN HE21 H 6.818 . 1 128 266 81 GLN HE22 H 6.818 . 1 129 266 81 GLN N N 111.133 . 1 130 266 81 GLN NE2 N 112.102 . 1 131 267 82 LEU H H 8.723 . 1 132 267 82 LEU N N 118.577 . 1 133 268 83 ASP H H 8.524 . 1 134 268 83 ASP N N 126.723 . 1 135 270 85 ALA H H 8.522 . 1 136 270 85 ALA N N 121.148 . 1 137 271 86 GLN H H 8.158 . 1 138 271 86 GLN HE21 H 6.887 . 1 139 271 86 GLN HE22 H 7.741 . 1 140 271 86 GLN N N 119.837 . 1 141 271 86 GLN NE2 N 113.654 0.003 1 142 272 87 ILE H H 8.250 . 1 143 272 87 ILE N N 119.458 . 1 144 273 88 TYR H H 8.900 . 1 145 273 88 TYR N N 122.072 . 1 146 274 89 ARG H H 9.280 . 1 147 274 89 ARG N N 121.445 . 1 148 275 90 VAL H H 9.612 . 1 149 275 90 VAL N N 132.433 . 1 150 276 91 THR H H 8.943 . 1 151 276 91 THR N N 124.183 . 1 152 277 92 TRP H H 8.808 . 1 153 277 92 TRP HE1 H 5.520 . 1 154 277 92 TRP N N 124.322 . 1 155 277 92 TRP NE1 N 119.176 . 1 156 278 93 PHE H H 9.568 . 1 157 278 93 PHE N N 122.850 . 1 158 279 94 ILE H H 9.807 . 1 159 279 94 ILE N N 124.898 . 1 160 280 95 SER H H 9.078 . 1 161 280 95 SER N N 124.505 . 1 162 281 96 TRP H H 6.625 . 1 163 281 96 TRP HE1 H 9.982 . 1 164 281 96 TRP N N 115.107 . 1 165 281 96 TRP NE1 N 128.824 . 1 166 282 97 SER H H 8.549 . 1 167 282 97 SER N N 115.312 . 1 168 284 99 CYS H H 8.686 . 1 169 284 99 CYS N N 122.383 . 1 170 285 100 PHE H H 9.276 . 1 171 285 100 PHE N N 114.927 . 1 172 286 101 SER H H 10.856 . 1 173 286 101 SER N N 119.640 . 1 174 287 102 TRP H H 7.895 . 1 175 287 102 TRP HE1 H 10.180 . 1 176 287 102 TRP N N 118.214 . 1 177 287 102 TRP NE1 N 130.424 . 1 178 288 103 GLY H H 7.421 . 1 179 288 103 GLY N N 106.212 . 1 180 289 104 CYS H H 7.314 . 1 181 289 104 CYS N N 120.440 . 1 182 290 105 ALA H H 8.681 . 1 183 290 105 ALA N N 119.658 . 1 184 291 106 GLY H H 8.543 . 1 185 291 106 GLY N N 103.909 . 1 186 292 107 GLU H H 7.905 . 1 187 292 107 GLU N N 122.593 . 1 188 293 108 VAL H H 8.888 . 1 189 293 108 VAL N N 121.936 . 1 190 294 109 ARG H H 8.634 . 1 191 294 109 ARG N N 120.641 . 1 192 295 110 ALA H H 7.844 . 1 193 295 110 ALA N N 120.719 . 1 194 296 111 PHE H H 8.094 . 1 195 296 111 PHE N N 118.999 . 1 196 297 112 LEU H H 8.585 . 1 197 297 112 LEU N N 120.640 . 1 198 298 113 GLN H H 8.173 . 1 199 298 113 GLN HE21 H 6.732 . 1 200 298 113 GLN HE22 H 7.519 . 1 201 298 113 GLN N N 117.765 . 1 202 298 113 GLN NE2 N 110.924 0.005 1 203 299 114 GLU H H 7.441 . 1 204 299 114 GLU N N 115.492 . 1 205 300 115 ASN H H 7.582 . 1 206 300 115 ASN N N 119.804 . 1 207 301 116 THR H H 8.083 . 1 208 301 116 THR N N 111.069 . 1 209 302 117 HIS H H 9.396 . 1 210 302 117 HIS N N 120.816 . 1 211 303 118 VAL H H 7.427 . 1 212 303 118 VAL N N 120.275 . 1 213 304 119 ARG H H 8.821 . 1 214 304 119 ARG N N 124.982 . 1 215 305 120 LEU H H 9.285 . 1 216 305 120 LEU N N 124.725 . 1 217 306 121 ARG H H 8.982 . 1 218 306 121 ARG N N 127.440 . 1 219 307 122 ILE H H 8.929 . 1 220 307 122 ILE N N 123.363 . 1 221 308 123 PHE H H 9.286 . 1 222 308 123 PHE N N 126.454 . 1 223 310 125 ALA H H 9.080 . 1 224 310 125 ALA N N 126.230 . 1 225 311 126 ARG H H 6.625 . 1 226 311 126 ARG N N 108.090 . 1 227 313 128 TYR H H 8.800 . 1 228 313 128 TYR N N 130.037 . 1 229 314 129 ASP H H 8.021 . 1 230 314 129 ASP N N 123.609 . 1 231 315 130 TYR H H 6.372 . 1 232 315 130 TYR N N 117.051 . 1 233 316 131 ASP H H 6.927 . 1 234 316 131 ASP N N 116.912 . 1 235 318 133 LEU H H 8.425 . 1 236 318 133 LEU N N 120.317 . 1 237 319 134 TYR H H 7.976 . 1 238 319 134 TYR N N 117.543 . 1 239 320 135 LYS H H 7.472 . 1 240 320 135 LYS N N 122.041 . 1 241 321 136 GLU H H 8.815 . 1 242 321 136 GLU N N 121.984 . 1 243 322 137 ALA H H 7.708 . 1 244 322 137 ALA N N 119.856 . 1 245 323 138 LEU H H 7.165 . 1 246 323 138 LEU N N 116.354 . 1 247 324 139 GLN H H 8.425 . 1 248 324 139 GLN HE21 H 6.722 . 1 249 324 139 GLN HE22 H 7.377 . 1 250 324 139 GLN N N 117.493 . 1 251 324 139 GLN NE2 N 109.137 0.005 1 252 325 140 MET H H 8.196 . 1 253 325 140 MET N N 118.633 . 1 254 327 142 ARG H H 7.968 . 1 255 327 142 ARG N N 121.304 . 1 256 328 143 ASP H H 8.899 . 1 257 328 143 ASP N N 122.709 . 1 258 329 144 ALA H H 7.710 . 1 259 329 144 ALA N N 120.138 . 1 260 330 145 GLY H H 7.960 . 1 261 330 145 GLY N N 105.125 . 1 262 331 146 ALA H H 8.035 . 1 263 331 146 ALA N N 124.304 . 1 264 332 147 GLN H H 7.970 . 1 265 332 147 GLN HE21 H 7.353 . 1 266 332 147 GLN HE22 H 6.702 . 1 267 332 147 GLN N N 122.425 . 1 268 332 147 GLN NE2 N 111.554 0.01 1 269 333 148 VAL H H 8.631 . 1 270 333 148 VAL N N 127.711 . 1 271 334 149 SER H H 8.683 . 1 272 334 149 SER N N 120.698 . 1 273 335 150 ILE H H 8.635 . 1 274 335 150 ILE N N 123.101 . 1 275 336 151 MET H H 8.308 . 1 276 336 151 MET N N 123.844 . 1 277 337 152 THR H H 9.551 . 1 278 337 152 THR N N 117.835 . 1 279 338 153 TYR H H 9.719 . 1 280 338 153 TYR N N 121.684 . 1 281 339 154 ASP H H 8.188 . 1 282 339 154 ASP N N 114.944 . 1 283 340 155 GLU H H 7.426 . 1 284 340 155 GLU N N 117.212 . 1 285 341 156 PHE H H 7.954 . 1 286 341 156 PHE N N 119.718 . 1 287 342 157 GLU H H 8.222 . 1 288 342 157 GLU N N 118.553 . 1 289 343 158 TYR H H 7.385 . 1 290 343 158 TYR N N 115.871 . 1 291 344 159 CYS H H 7.893 . 1 292 344 159 CYS N N 118.588 . 1 293 345 160 TRP H H 7.855 . 1 294 345 160 TRP HE1 H 10.142 . 1 295 345 160 TRP N N 122.762 . 1 296 345 160 TRP NE1 N 131.481 . 1 297 346 161 ASP H H 8.005 . 1 298 346 161 ASP N N 113.412 . 1 299 347 162 THR H H 7.429 . 1 300 347 162 THR N N 115.014 . 1 301 348 163 PHE H H 8.251 . 1 302 348 163 PHE N N 114.655 . 1 303 349 164 VAL H H 6.518 . 1 304 349 164 VAL N N 118.167 . 1 305 350 165 TYR H H 8.724 . 1 306 350 165 TYR N N 128.485 . 1 307 351 166 ARG H H 7.539 . 1 308 351 166 ARG N N 114.844 . 1 309 353 168 GLY H H 8.253 . 1 310 353 168 GLY N N 105.509 . 1 311 354 169 CYS H H 7.711 . 1 312 354 169 CYS N N 121.255 . 1 313 356 171 PHE H H 9.180 . 1 314 356 171 PHE N N 121.875 . 1 315 357 172 GLN H H 7.112 . 1 316 357 172 GLN HE21 H 6.798 . 1 317 357 172 GLN HE22 H 7.316 . 1 318 357 172 GLN N N 128.613 . 1 319 357 172 GLN NE2 N 112.604 0.007 1 320 359 174 TRP H H 5.504 . 1 321 359 174 TRP HE1 H 10.096 . 1 322 359 174 TRP N N 117.460 . 1 323 359 174 TRP NE1 N 129.326 . 1 324 360 175 ASP H H 8.803 . 1 325 360 175 ASP N N 121.786 . 1 326 361 176 GLY H H 8.989 . 1 327 361 176 GLY N N 112.201 . 1 328 362 177 LEU H H 7.117 . 1 329 362 177 LEU N N 121.086 . 1 330 363 178 GLU H H 9.355 . 1 331 363 178 GLU N N 120.338 . 1 332 364 179 GLU H H 8.331 . 1 333 364 179 GLU N N 122.412 . 1 334 366 181 SER H H 8.593 . 1 335 366 181 SER N N 115.925 . 1 336 367 182 GLN H H 8.650 . 1 337 367 182 GLN HE21 H 7.646 . 1 338 367 182 GLN HE22 H 6.866 . 1 339 367 182 GLN N N 122.417 . 1 340 367 182 GLN NE2 N 111.784 0.001 1 341 368 183 ALA H H 8.260 . 1 342 368 183 ALA N N 124.627 . 1 343 369 184 LEU H H 8.675 . 1 344 369 184 LEU N N 120.589 . 1 345 370 185 SER H H 8.852 . 1 346 370 185 SER N N 116.937 . 1 347 371 186 GLY H H 8.201 . 1 348 371 186 GLY N N 110.271 . 1 349 372 187 ARG H H 7.847 . 1 350 372 187 ARG N N 123.035 . 1 351 373 188 LEU H H 8.765 . 1 352 373 188 LEU N N 119.836 . 1 353 374 189 ARG H H 8.221 . 1 354 374 189 ARG N N 118.754 . 1 355 375 190 ALA H H 7.384 . 1 356 375 190 ALA N N 119.354 . 1 357 376 191 ILE N N 118.930 . 1 358 377 192 LEU H H 8.303 . 1 359 377 192 LEU N N 116.326 . 1 360 378 193 GLN H H 7.959 . 1 361 378 193 GLN N N 118.443 . 1 362 379 194 ASN H H 8.108 . 1 363 379 194 ASN HD21 H 6.921 . 1 364 379 194 ASN HD22 H 7.585 . 1 365 379 194 ASN N N 118.694 . 1 366 379 194 ASN ND2 N 112.899 0.007 1 367 380 195 GLN H H 8.505 . 1 368 380 195 GLN HE21 H 6.851 . 1 369 380 195 GLN HE22 H 7.498 . 1 370 380 195 GLN N N 120.841 . 1 371 380 195 GLN NE2 N 112.214 0.004 1 372 381 196 GLY H H 8.445 . 1 373 381 196 GLY N N 109.610 . 1 374 382 197 ASN H H 8.358 . 1 375 382 197 ASN HD21 H 6.892 . 1 376 382 197 ASN HD22 H 7.604 . 1 377 382 197 ASN N N 118.625 . 1 378 382 197 ASN ND2 N 112.710 0.007 1 379 383 198 LEU H H 8.261 . 1 380 383 198 LEU N N 122.451 . 1 381 384 199 GLU H H 8.314 . 1 382 384 199 GLU N N 121.075 . 1 383 385 200 HIS H H 8.458 . 1 384 385 200 HIS N N 119.293 . 1 385 389 204 HIS H H 8.219 . 1 386 389 204 HIS N N 119.965 . 1 387 390 205 HIS H H 8.035 . 1 388 390 205 HIS N N 125.611 . 1 stop_ save_