data_16638 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of human sodium/ hydrogen exchange regulatory factor 1(150-358). ; _BMRB_accession_number 16638 _BMRB_flat_file_name bmr16638.str _Entry_type original _Submission_date 2009-12-18 _Accession_date 2009-12-18 _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 Bhattacharya Shibani . . 2 Dai Zhongping . . 3 Li Jianquan . . 4 Baxter Sabine . . 5 Callaway David 'J. E.' . 6 Cowburn David . . 7 Bu Zimei . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1055 "13C chemical shifts" 758 "15N chemical shifts" 174 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-18 update BMRB 'complete entry citation' 2010-02-01 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'A conformational switch in the scaffolding protein NHERF1 controls autoinhibition and complex formation.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20042604 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bhattacharya Shibani . . 2 Dai Zhongping . . 3 Li Jianquan . . 4 Baxter Sabine . . 5 Callaway David J.E. . 6 Cowburn David . . 7 Bu Zimei . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 285 _Journal_issue 13 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 9981 _Page_last 9994 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name NHERF1_(150-358) _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label NHERF1_(150-358) $NHERF1_(150-358) stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_NHERF1_(150-358) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common NHERF1_(150-358) _Molecular_mass 23669.648 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 216 _Mol_residue_sequence ; GIDPFTMLRPRLCTMKKGPS GYGFNLHSDKSKPGQFIRSV DPDSPAEASGLRAQDRIVEV NGVCMEGKQHGDVVSAIRAG GDETKLLVVDRETDEFFKKC RVIPSQEHLNGPLPVPFTNG EIQKENSREALAEAALESPR PALVRSASSDTSEELNSQDS PPKQDSTAPSSTSSSDPILD FNISLAMAKERAHQKRSSKR APQMDWSKKNELFSNL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 143 GLY 2 144 ILE 3 145 ASP 4 146 PRO 5 147 PHE 6 148 THR 7 149 MET 8 150 LEU 9 151 ARG 10 152 PRO 11 153 ARG 12 154 LEU 13 155 CYS 14 156 THR 15 157 MET 16 158 LYS 17 159 LYS 18 160 GLY 19 161 PRO 20 162 SER 21 163 GLY 22 164 TYR 23 165 GLY 24 166 PHE 25 167 ASN 26 168 LEU 27 169 HIS 28 170 SER 29 171 ASP 30 172 LYS 31 173 SER 32 174 LYS 33 175 PRO 34 176 GLY 35 177 GLN 36 178 PHE 37 179 ILE 38 180 ARG 39 181 SER 40 182 VAL 41 183 ASP 42 184 PRO 43 185 ASP 44 186 SER 45 187 PRO 46 188 ALA 47 189 GLU 48 190 ALA 49 191 SER 50 192 GLY 51 193 LEU 52 194 ARG 53 195 ALA 54 196 GLN 55 197 ASP 56 198 ARG 57 199 ILE 58 200 VAL 59 201 GLU 60 202 VAL 61 203 ASN 62 204 GLY 63 205 VAL 64 206 CYS 65 207 MET 66 208 GLU 67 209 GLY 68 210 LYS 69 211 GLN 70 212 HIS 71 213 GLY 72 214 ASP 73 215 VAL 74 216 VAL 75 217 SER 76 218 ALA 77 219 ILE 78 220 ARG 79 221 ALA 80 222 GLY 81 223 GLY 82 224 ASP 83 225 GLU 84 226 THR 85 227 LYS 86 228 LEU 87 229 LEU 88 230 VAL 89 231 VAL 90 232 ASP 91 233 ARG 92 234 GLU 93 235 THR 94 236 ASP 95 237 GLU 96 238 PHE 97 239 PHE 98 240 LYS 99 241 LYS 100 242 CYS 101 243 ARG 102 244 VAL 103 245 ILE 104 246 PRO 105 247 SER 106 248 GLN 107 249 GLU 108 250 HIS 109 251 LEU 110 252 ASN 111 253 GLY 112 254 PRO 113 255 LEU 114 256 PRO 115 257 VAL 116 258 PRO 117 259 PHE 118 260 THR 119 261 ASN 120 262 GLY 121 263 GLU 122 264 ILE 123 265 GLN 124 266 LYS 125 267 GLU 126 268 ASN 127 269 SER 128 270 ARG 129 271 GLU 130 272 ALA 131 273 LEU 132 274 ALA 133 275 GLU 134 276 ALA 135 277 ALA 136 278 LEU 137 279 GLU 138 280 SER 139 281 PRO 140 282 ARG 141 283 PRO 142 284 ALA 143 285 LEU 144 286 VAL 145 287 ARG 146 288 SER 147 289 ALA 148 290 SER 149 291 SER 150 292 ASP 151 293 THR 152 294 SER 153 295 GLU 154 296 GLU 155 297 LEU 156 298 ASN 157 299 SER 158 300 GLN 159 301 ASP 160 302 SER 161 303 PRO 162 304 PRO 163 305 LYS 164 306 GLN 165 307 ASP 166 308 SER 167 309 THR 168 310 ALA 169 311 PRO 170 312 SER 171 313 SER 172 314 THR 173 315 SER 174 316 SER 175 317 SER 176 318 ASP 177 319 PRO 178 320 ILE 179 321 LEU 180 322 ASP 181 323 PHE 182 324 ASN 183 325 ILE 184 326 SER 185 327 LEU 186 328 ALA 187 329 MET 188 330 ALA 189 331 LYS 190 332 GLU 191 333 ARG 192 334 ALA 193 335 HIS 194 336 GLN 195 337 LYS 196 338 ARG 197 339 SER 198 340 SER 199 341 LYS 200 342 ARG 201 343 ALA 202 344 PRO 203 345 GLN 204 346 MET 205 347 ASP 206 348 TRP 207 349 SER 208 350 LYS 209 351 LYS 210 352 ASN 211 353 GLU 212 354 LEU 213 355 PHE 214 356 SER 215 357 ASN 216 358 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 16637 PDZ2-270 59.26 128 100.00 100.00 3.35e-89 BMRB 18826 PDZ2 59.26 128 100.00 100.00 3.35e-89 PDB 2KJD "Solution Structure Of Extended Pdz2 Domain From Nherf1 (150- 270)" 59.26 128 100.00 100.00 3.35e-89 PDB 2KRG "Solution Structure Of Human Sodium HYDROGEN EXCHANGE Regulatory Factor 1(150-358)" 100.00 216 100.00 100.00 5.51e-156 PDB 2M0V "Complex Structure Of C-terminal Cftr Peptide And Extended Pdz2 Domain From Nherf1" 59.26 128 100.00 100.00 3.35e-89 DBJ BAG54683 "unnamed protein product [Homo sapiens]" 93.52 202 100.00 100.00 7.03e-144 GB EAW89189 "solute carrier family 9 (sodium/hydrogen exchanger), member 3 regulator 1, isoform CRA_a [Homo sapiens]" 93.52 202 100.00 100.00 7.03e-144 GB EHH58322 "hypothetical protein EGM_08144, partial [Macaca fascicularis]" 96.76 233 97.61 98.09 5.44e-146 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $NHERF1_(150-358) 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 $NHERF1_(150-358) 'recombinant technology' . Escherichia coli 'BL21 (DE3)' pET151/D-TOPO 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 $NHERF1_(150-358) 557 uM '[U-100% 13C; U-100% 15N]' HEPES 20 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DTT 0.5 mM 'natural abundance' PMSF 0.1 mM 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $NHERF1_(150-358) 389 uM '[U-100% 13C; U-100% 15N; U-80% 2H]' HEPES 20 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DTT 0.5 mM 'natural abundance' PMSF 0.1 mM 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details 'Selectively Labeled Sample.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $NHERF1_(150-358) 413 uM '[U-100% 13C; U-100% 15N]-Leu,Val,Phe' HEPES 20 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DTT 0.5 mM 'natural abundance' PMSF 0.1 mM 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1.3 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version 1.5 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version 2.24 loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _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_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HNCACB_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_3 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_3 save_ save_3D_H(CCO)NH_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.5 . pH pressure 1 . atm temperature 303 . 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 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $TOPSPIN $CARA stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCA' '3D HN(CO)CA' '3D HNCO' '3D H(CCO)NH' '3D HCCH-TOCSY' '3D HCCH-COSY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name NHERF1_(150-358) _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 1 144 2 ILE HA H 4.267 0.05 1 2 144 2 ILE HB H 1.877 0.05 1 3 144 2 ILE HD1 H 0.904 0.05 1 4 144 2 ILE HG12 H 1.273 0.05 2 5 144 2 ILE HG13 H 1.490 0.05 2 6 144 2 ILE HG2 H 0.928 0.05 1 7 144 2 ILE C C 175.707 0.30 1 8 144 2 ILE CA C 60.917 0.30 1 9 144 2 ILE CB C 38.947 0.30 1 10 144 2 ILE CD1 C 13.012 0.30 1 11 144 2 ILE CG1 C 27.329 0.30 1 12 144 2 ILE CG2 C 17.587 0.30 1 13 145 3 ASP H H 8.508 0.05 1 14 145 3 ASP HA H 4.958 0.05 1 15 145 3 ASP HB2 H 2.677 0.05 2 16 145 3 ASP HB3 H 2.846 0.05 2 17 145 3 ASP C C 177.841 0.30 1 18 145 3 ASP CA C 51.962 0.30 1 19 145 3 ASP CB C 41.593 0.30 1 20 145 3 ASP N N 126.314 0.10 1 21 146 4 PRO HA H 4.337 0.05 1 22 146 4 PRO HB2 H 1.581 0.05 2 23 146 4 PRO HB3 H 2.186 0.05 2 24 146 4 PRO HD2 H 3.819 0.05 2 25 146 4 PRO HD3 H 3.956 0.05 2 26 146 4 PRO HG2 H 1.721 0.05 2 27 146 4 PRO HG3 H 1.932 0.05 2 28 146 4 PRO C C 177.166 0.30 1 29 146 4 PRO CA C 63.729 0.30 1 30 146 4 PRO CB C 31.989 0.30 1 31 146 4 PRO CD C 50.912 0.30 1 32 146 4 PRO CG C 26.876 0.30 1 33 147 5 PHE H H 8.241 0.05 1 34 147 5 PHE HA H 4.594 0.05 1 35 147 5 PHE HB2 H 3.100 0.05 2 36 147 5 PHE HB3 H 3.248 0.05 2 37 147 5 PHE HD1 H 7.325 0.05 3 38 147 5 PHE HD2 H 7.325 0.05 3 39 147 5 PHE C C 176.157 0.30 1 40 147 5 PHE CA C 58.069 0.30 1 41 147 5 PHE CB C 38.706 0.30 1 42 147 5 PHE CD1 C 131.743 0.30 3 43 147 5 PHE N N 117.684 0.10 1 44 148 6 THR H H 7.659 0.05 1 45 148 6 THR HA H 4.197 0.05 1 46 148 6 THR HB H 4.256 0.05 1 47 148 6 THR HG2 H 1.259 0.05 1 48 148 6 THR C C 174.354 0.30 1 49 148 6 THR CA C 63.244 0.30 1 50 148 6 THR CB C 69.642 0.30 1 51 148 6 THR N N 113.018 0.10 1 52 149 7 MET H H 8.073 0.05 1 53 149 7 MET HA H 4.493 0.05 1 54 149 7 MET HB2 H 2.056 0.05 2 55 149 7 MET HB3 H 2.132 0.05 2 56 149 7 MET HG2 H 2.564 0.05 2 57 149 7 MET HG3 H 2.675 0.05 2 58 149 7 MET C C 175.744 0.30 1 59 149 7 MET CA C 55.670 0.30 1 60 149 7 MET CB C 32.451 0.30 1 61 149 7 MET CG C 32.218 0.30 1 62 149 7 MET N N 120.748 0.10 1 63 150 8 LEU H H 7.885 0.05 1 64 150 8 LEU HA H 4.702 0.05 1 65 150 8 LEU HB2 H 1.449 0.05 2 66 150 8 LEU HB3 H 1.449 0.05 2 67 150 8 LEU HD1 H 0.681 0.05 2 68 150 8 LEU HD2 H 0.434 0.05 2 69 150 8 LEU HG H 1.326 0.05 1 70 150 8 LEU C C 173.375 0.30 1 71 150 8 LEU CA C 54.310 0.30 1 72 150 8 LEU CB C 40.293 0.30 1 73 150 8 LEU CD1 C 23.035 0.30 2 74 150 8 LEU CD2 C 25.391 0.30 2 75 150 8 LEU CG C 26.197 0.30 1 76 150 8 LEU N N 123.682 0.10 1 77 151 9 ARG H H 7.090 0.05 1 78 151 9 ARG HA H 5.098 0.05 1 79 151 9 ARG HB2 H 1.675 0.05 2 80 151 9 ARG HB3 H 2.040 0.05 2 81 151 9 ARG HD2 H 3.249 0.05 2 82 151 9 ARG HD3 H 3.563 0.05 2 83 151 9 ARG HG2 H 1.803 0.05 2 84 151 9 ARG HG3 H 1.942 0.05 2 85 151 9 ARG CA C 52.818 0.30 1 86 151 9 ARG CB C 32.554 0.30 1 87 151 9 ARG CD C 43.375 0.30 1 88 151 9 ARG CG C 28.994 0.30 1 89 151 9 ARG N N 113.310 0.10 1 90 152 10 PRO HA H 4.880 0.05 1 91 152 10 PRO HB2 H 1.646 0.05 2 92 152 10 PRO HB3 H 1.789 0.05 2 93 152 10 PRO HD2 H 3.616 0.05 2 94 152 10 PRO HD3 H 3.676 0.05 2 95 152 10 PRO C C 173.145 0.30 1 96 152 10 PRO CA C 62.181 0.30 1 97 152 10 PRO CB C 32.196 0.30 1 98 152 10 PRO CD C 50.460 0.30 1 99 153 11 ARG H H 8.545 0.05 1 100 153 11 ARG HA H 4.475 0.05 1 101 153 11 ARG HB2 H 1.222 0.05 2 102 153 11 ARG HB3 H 1.738 0.05 2 103 153 11 ARG HD2 H 3.003 0.05 2 104 153 11 ARG HD3 H 3.329 0.05 2 105 153 11 ARG HG2 H 1.378 0.05 2 106 153 11 ARG HG3 H 1.434 0.05 2 107 153 11 ARG HH11 H 6.855 0.05 2 108 153 11 ARG HH12 H 6.855 0.05 2 109 153 11 ARG C C 173.872 0.30 1 110 153 11 ARG CA C 54.716 0.30 1 111 153 11 ARG CB C 33.160 0.30 1 112 153 11 ARG CD C 42.971 0.30 1 113 153 11 ARG N N 116.539 0.10 1 114 153 11 ARG NH1 N 83.576 0.10 2 115 154 12 LEU H H 8.761 0.05 1 116 154 12 LEU HA H 5.145 0.05 1 117 154 12 LEU HB2 H 2.010 0.05 2 118 154 12 LEU HB3 H 1.222 0.05 2 119 154 12 LEU HD1 H 0.741 0.05 2 120 154 12 LEU HD2 H 0.854 0.05 2 121 154 12 LEU HG H 1.326 0.05 1 122 154 12 LEU C C 173.888 0.30 1 123 154 12 LEU CA C 53.300 0.30 1 124 154 12 LEU CB C 43.830 0.30 1 125 154 12 LEU CD1 C 23.509 0.30 2 126 154 12 LEU CD2 C 25.781 0.30 2 127 154 12 LEU CG C 27.412 0.30 1 128 154 12 LEU N N 124.605 0.10 1 129 155 13 CYS H H 9.495 0.05 1 130 155 13 CYS HA H 4.824 0.05 1 131 155 13 CYS HB2 H 2.486 0.05 2 132 155 13 CYS HB3 H 2.923 0.05 2 133 155 13 CYS C C 173.840 0.30 1 134 155 13 CYS CA C 57.878 0.30 1 135 155 13 CYS CB C 28.670 0.30 1 136 155 13 CYS N N 129.252 0.10 1 137 156 14 THR H H 9.001 0.05 1 138 156 14 THR HA H 5.002 0.05 1 139 156 14 THR HB H 4.129 0.05 1 140 156 14 THR HG2 H 1.210 0.05 1 141 156 14 THR C C 173.423 0.30 1 142 156 14 THR CA C 61.569 0.30 1 143 156 14 THR CB C 69.441 0.30 1 144 156 14 THR CG2 C 21.370 0.30 1 145 156 14 THR N N 122.623 0.10 1 146 157 15 MET H H 8.857 0.05 1 147 157 15 MET HA H 4.998 0.05 1 148 157 15 MET HB2 H 1.902 0.05 2 149 157 15 MET HB3 H 2.114 0.05 2 150 157 15 MET HE H 1.640 0.05 1 151 157 15 MET HG2 H 2.324 0.05 2 152 157 15 MET HG3 H 2.324 0.05 2 153 157 15 MET C C 173.330 0.30 1 154 157 15 MET CA C 54.359 0.30 1 155 157 15 MET CB C 38.512 0.30 1 156 157 15 MET CE C 18.455 0.30 1 157 157 15 MET CG C 32.394 0.30 1 158 157 15 MET N N 121.478 0.10 1 159 158 16 LYS H H 8.569 0.05 1 160 158 16 LYS HA H 5.278 0.05 1 161 158 16 LYS HB2 H 1.799 0.05 2 162 158 16 LYS HB3 H 1.961 0.05 2 163 158 16 LYS HE2 H 3.083 0.05 2 164 158 16 LYS HE3 H 3.083 0.05 2 165 158 16 LYS HG2 H 1.563 0.05 2 166 158 16 LYS HG3 H 1.593 0.05 2 167 158 16 LYS C C 176.006 0.30 1 168 158 16 LYS CA C 54.553 0.30 1 169 158 16 LYS CB C 34.579 0.30 1 170 158 16 LYS CG C 25.070 0.30 1 171 158 16 LYS N N 122.322 0.10 1 172 159 17 LYS H H 8.522 0.05 1 173 159 17 LYS HA H 3.276 0.05 1 174 159 17 LYS HB2 H 1.367 0.05 2 175 159 17 LYS HB3 H 1.486 0.05 2 176 159 17 LYS HD2 H 1.454 0.05 2 177 159 17 LYS HD3 H 1.521 0.05 2 178 159 17 LYS HE2 H 2.888 0.05 2 179 159 17 LYS HE3 H 2.955 0.05 2 180 159 17 LYS HG2 H 0.611 0.05 2 181 159 17 LYS HG3 H 0.882 0.05 2 182 159 17 LYS C C 177.264 0.30 1 183 159 17 LYS CA C 58.558 0.30 1 184 159 17 LYS CB C 33.527 0.30 1 185 159 17 LYS CD C 29.641 0.30 1 186 159 17 LYS CE C 41.732 0.30 1 187 159 17 LYS CG C 24.681 0.30 1 188 159 17 LYS N N 123.768 0.10 1 189 160 18 GLY H H 7.351 0.05 1 190 160 18 GLY HA2 H 4.006 0.05 2 191 160 18 GLY HA3 H 4.675 0.05 2 192 160 18 GLY CA C 44.208 0.30 1 193 160 18 GLY N N 111.870 0.10 1 194 161 19 PRO HA H 4.373 0.05 1 195 161 19 PRO HB2 H 2.046 0.05 2 196 161 19 PRO HB3 H 2.455 0.05 2 197 161 19 PRO HD2 H 3.743 0.05 2 198 161 19 PRO HD3 H 3.845 0.05 2 199 161 19 PRO HG2 H 2.115 0.05 2 200 161 19 PRO HG3 H 2.184 0.05 2 201 161 19 PRO C C 177.913 0.30 1 202 161 19 PRO CA C 64.996 0.30 1 203 161 19 PRO CB C 32.008 0.30 1 204 161 19 PRO CD C 49.504 0.30 1 205 162 20 SER H H 8.454 0.05 1 206 162 20 SER HB2 H 3.937 0.05 2 207 162 20 SER HB3 H 3.938 0.05 2 208 162 20 SER C C 175.855 0.30 1 209 162 20 SER CA C 56.676 0.30 1 210 162 20 SER CB C 64.419 0.30 1 211 162 20 SER N N 111.365 0.10 1 212 163 21 GLY H H 7.678 0.05 1 213 163 21 GLY HA2 H 3.271 0.05 2 214 163 21 GLY HA3 H 4.543 0.05 2 215 163 21 GLY CA C 44.181 0.30 1 216 163 21 GLY N N 108.419 0.10 1 217 164 22 TYR HA H 4.488 0.05 1 218 164 22 TYR HB2 H 2.719 0.05 2 219 164 22 TYR HB3 H 3.430 0.05 2 220 164 22 TYR HD1 H 6.957 0.05 3 221 164 22 TYR HD2 H 6.957 0.05 3 222 164 22 TYR HE1 H 6.678 0.05 3 223 164 22 TYR HE2 H 6.678 0.05 3 224 164 22 TYR CA C 61.392 0.30 1 225 164 22 TYR CB C 40.212 0.30 1 226 164 22 TYR CD1 C 132.512 0.30 3 227 164 22 TYR CE1 C 117.929 0.30 3 228 165 23 GLY HA2 H 3.977 0.05 2 229 165 23 GLY HA3 H 4.560 0.05 2 230 165 23 GLY CA C 46.228 0.30 1 231 166 24 PHE H H 6.894 0.05 1 232 166 24 PHE HA H 5.582 0.05 1 233 166 24 PHE HB2 H 2.727 0.05 2 234 166 24 PHE HB3 H 3.250 0.05 2 235 166 24 PHE HD1 H 6.876 0.05 3 236 166 24 PHE HD2 H 6.876 0.05 3 237 166 24 PHE HE1 H 6.923 0.05 3 238 166 24 PHE HE2 H 6.923 0.05 3 239 166 24 PHE HZ H 6.942 0.05 1 240 166 24 PHE C C 171.758 0.30 1 241 166 24 PHE CA C 55.314 0.30 1 242 166 24 PHE CB C 42.292 0.30 1 243 166 24 PHE CD1 C 132.281 0.30 3 244 166 24 PHE CE1 C 130.646 0.30 3 245 166 24 PHE CZ C 128.895 0.30 1 246 166 24 PHE N N 112.555 0.10 1 247 167 25 ASN H H 8.206 0.05 1 248 167 25 ASN HA H 5.548 0.05 1 249 167 25 ASN HB2 H 2.801 0.05 2 250 167 25 ASN HB3 H 2.863 0.05 2 251 167 25 ASN CA C 51.820 0.30 1 252 167 25 ASN CB C 42.060 0.30 1 253 167 25 ASN N N 117.952 0.10 1 254 168 26 LEU H H 9.346 0.05 1 255 168 26 LEU HA H 5.384 0.05 1 256 168 26 LEU HB2 H 1.683 0.05 2 257 168 26 LEU HB3 H 1.889 0.05 2 258 168 26 LEU HD1 H 0.889 0.05 2 259 168 26 LEU HD2 H 0.622 0.05 2 260 168 26 LEU CA C 54.021 0.30 1 261 168 26 LEU CB C 46.559 0.30 1 262 168 26 LEU CD1 C 25.881 0.30 2 263 168 26 LEU CD2 C 25.785 0.30 2 264 169 27 HIS HA H 4.920 0.05 1 265 169 27 HIS CA C 57.737 0.30 1 266 170 28 SER HB2 H 4.103 0.05 2 267 171 29 ASP H H 9.370 0.05 1 268 171 29 ASP HA H 4.897 0.05 1 269 171 29 ASP HB2 H 2.523 0.05 2 270 171 29 ASP HB3 H 2.882 0.05 2 271 171 29 ASP CA C 53.170 0.30 1 272 171 29 ASP CB C 44.092 0.30 1 273 171 29 ASP N N 123.531 0.10 1 274 172 30 LYS HA H 4.163 0.05 1 275 172 30 LYS HB2 H 1.913 0.05 2 276 172 30 LYS HB3 H 1.913 0.05 2 277 172 30 LYS HE2 H 3.030 0.05 2 278 172 30 LYS HE3 H 3.054 0.05 2 279 172 30 LYS HG2 H 1.521 0.05 2 280 172 30 LYS HG3 H 1.521 0.05 2 281 172 30 LYS C C 177.336 0.30 1 282 172 30 LYS CA C 58.625 0.30 1 283 172 30 LYS CB C 32.347 0.30 1 284 173 31 SER H H 9.027 0.05 1 285 173 31 SER HA H 4.501 0.05 1 286 173 31 SER HB2 H 3.943 0.05 2 287 173 31 SER HB3 H 4.006 0.05 2 288 173 31 SER C C 173.959 0.30 1 289 173 31 SER CA C 59.477 0.30 1 290 173 31 SER CB C 64.720 0.30 1 291 173 31 SER N N 114.590 0.10 1 292 174 32 LYS H H 8.005 0.05 1 293 174 32 LYS HA H 4.933 0.05 1 294 174 32 LYS HB2 H 1.748 0.05 2 295 174 32 LYS HB3 H 1.935 0.05 2 296 174 32 LYS HD2 H 1.641 0.05 2 297 174 32 LYS HD3 H 1.642 0.05 2 298 174 32 LYS HE2 H 2.849 0.05 2 299 174 32 LYS HE3 H 3.034 0.05 2 300 174 32 LYS HG2 H 1.433 0.05 2 301 174 32 LYS HG3 H 1.433 0.05 2 302 174 32 LYS CA C 53.677 0.30 1 303 174 32 LYS CB C 33.991 0.30 1 304 174 32 LYS CD C 29.359 0.30 1 305 174 32 LYS CE C 43.888 0.30 1 306 174 32 LYS CG C 23.950 0.30 1 307 174 32 LYS N N 122.719 0.10 1 308 175 33 PRO HA H 4.627 0.05 1 309 175 33 PRO HB2 H 1.990 0.05 2 310 175 33 PRO HB3 H 2.387 0.05 2 311 175 33 PRO HD2 H 3.784 0.05 2 312 175 33 PRO HD3 H 3.860 0.05 2 313 175 33 PRO HG2 H 2.176 0.05 2 314 175 33 PRO HG3 H 2.176 0.05 2 315 175 33 PRO C C 177.167 0.30 1 316 175 33 PRO CA C 63.199 0.30 1 317 175 33 PRO CB C 32.125 0.30 1 318 175 33 PRO CD C 50.540 0.30 1 319 175 33 PRO CG C 27.468 0.30 1 320 176 34 GLY H H 8.354 0.05 1 321 176 34 GLY HA2 H 3.552 0.05 2 322 176 34 GLY HA3 H 4.331 0.05 2 323 176 34 GLY CA C 44.075 0.30 1 324 176 34 GLY N N 109.118 0.10 1 325 177 35 GLN H H 8.478 0.05 1 326 177 35 GLN HA H 4.905 0.05 1 327 177 35 GLN HB2 H 1.903 0.05 2 328 177 35 GLN HB3 H 2.043 0.05 2 329 177 35 GLN HE21 H 6.733 0.05 2 330 177 35 GLN HE22 H 7.443 0.05 2 331 177 35 GLN HG2 H 2.189 0.05 2 332 177 35 GLN C C 173.827 0.30 1 333 177 35 GLN CA C 54.975 0.30 1 334 178 36 PHE H H 8.862 0.05 1 335 178 36 PHE HA H 5.433 0.05 1 336 178 36 PHE HB2 H 2.853 0.05 2 337 178 36 PHE HB3 H 2.853 0.05 2 338 178 36 PHE HD1 H 7.160 0.05 3 339 178 36 PHE HD2 H 7.160 0.05 3 340 178 36 PHE HE1 H 7.440 0.05 3 341 178 36 PHE HE2 H 7.440 0.05 3 342 178 36 PHE HZ H 7.370 0.05 1 343 178 36 PHE C C 175.744 0.30 1 344 178 36 PHE CA C 56.144 0.30 1 345 178 36 PHE CB C 43.094 0.30 1 346 178 36 PHE CD1 C 132.339 0.30 3 347 178 36 PHE CE1 C 131.368 0.30 3 348 178 36 PHE N N 120.420 0.10 1 349 179 37 ILE H H 9.335 0.05 1 350 179 37 ILE HA H 4.613 0.05 1 351 179 37 ILE HB H 2.473 0.05 1 352 179 37 ILE HD1 H 0.455 0.05 1 353 179 37 ILE HG12 H 1.178 0.05 2 354 179 37 ILE HG13 H 1.587 0.05 2 355 179 37 ILE HG2 H 0.774 0.05 1 356 179 37 ILE C C 176.723 0.30 1 357 179 37 ILE CA C 58.618 0.30 1 358 179 37 ILE CB C 35.276 0.30 1 359 179 37 ILE CD1 C 11.145 0.30 1 360 179 37 ILE CG1 C 27.071 0.30 1 361 179 37 ILE CG2 C 19.581 0.30 1 362 179 37 ILE N N 121.248 0.10 1 363 180 38 ARG H H 9.497 0.05 1 364 180 38 ARG HA H 4.369 0.05 1 365 180 38 ARG HB2 H 1.473 0.05 2 366 180 38 ARG HB3 H 1.603 0.05 2 367 180 38 ARG C C 175.872 0.30 1 368 180 38 ARG CA C 57.907 0.30 1 369 180 38 ARG CB C 30.823 0.30 1 370 180 38 ARG N N 132.494 0.10 1 371 181 39 SER H H 7.688 0.05 1 372 181 39 SER HA H 4.642 0.05 1 373 181 39 SER HB2 H 3.951 0.05 2 374 181 39 SER HB3 H 3.951 0.05 2 375 181 39 SER C C 171.346 0.30 1 376 181 39 SER CA C 57.196 0.30 1 377 181 39 SER CB C 64.991 0.30 1 378 181 39 SER N N 108.745 0.10 1 379 182 40 VAL H H 8.579 0.05 1 380 182 40 VAL HA H 4.651 0.05 1 381 182 40 VAL HB H 1.920 0.05 1 382 182 40 VAL HG1 H 0.700 0.05 2 383 182 40 VAL HG2 H 0.847 0.05 2 384 182 40 VAL C C 175.728 0.30 1 385 182 40 VAL CA C 60.892 0.30 1 386 182 40 VAL CB C 34.801 0.30 1 387 182 40 VAL CG1 C 21.411 0.30 2 388 182 40 VAL CG2 C 21.348 0.30 2 389 182 40 VAL N N 119.872 0.10 1 390 183 41 ASP H H 9.342 0.05 1 391 183 41 ASP HA H 4.873 0.05 1 392 183 41 ASP HB2 H 2.603 0.05 2 393 183 41 ASP HB3 H 2.729 0.05 2 394 183 41 ASP C C 174.832 0.30 1 395 183 41 ASP CA C 52.917 0.30 1 396 183 41 ASP CB C 39.390 0.30 1 397 183 41 ASP N N 129.545 0.10 1 398 184 42 PRO HA H 4.626 0.05 1 399 184 42 PRO HB2 H 1.956 0.05 2 400 184 42 PRO HB3 H 2.441 0.05 2 401 184 42 PRO HD2 H 3.773 0.05 2 402 184 42 PRO HD3 H 4.055 0.05 2 403 184 42 PRO HG2 H 2.156 0.05 2 404 184 42 PRO HG3 H 2.214 0.05 2 405 184 42 PRO C C 177.001 0.30 1 406 184 42 PRO CA C 63.292 0.30 1 407 184 42 PRO CB C 31.791 0.30 1 408 184 42 PRO CD C 50.817 0.30 1 409 184 42 PRO CG C 27.662 0.30 1 410 185 43 ASP H H 9.292 0.05 1 411 185 43 ASP HA H 4.456 0.05 1 412 185 43 ASP HB2 H 2.862 0.05 2 413 185 43 ASP HB3 H 3.048 0.05 2 414 185 43 ASP C C 174.521 0.30 1 415 185 43 ASP CA C 55.714 0.30 1 416 185 43 ASP CB C 39.387 0.30 1 417 185 43 ASP N N 118.643 0.10 1 418 186 44 SER H H 7.447 0.05 1 419 186 44 SER HA H 5.006 0.05 1 420 186 44 SER HB2 H 3.926 0.05 2 421 186 44 SER HB3 H 3.926 0.05 2 422 186 44 SER HG H 6.656 0.05 1 423 186 44 SER CA C 56.577 0.30 1 424 186 44 SER CB C 65.307 0.30 1 425 186 44 SER N N 112.010 0.10 1 426 187 45 PRO HA H 4.586 0.05 1 427 187 45 PRO HB2 H 2.369 0.05 2 428 187 45 PRO HB3 H 3.021 0.05 2 429 187 45 PRO HD2 H 4.036 0.05 2 430 187 45 PRO HD3 H 4.093 0.05 2 431 187 45 PRO HG2 H 2.310 0.05 2 432 187 45 PRO HG3 H 2.598 0.05 2 433 187 45 PRO C C 180.254 0.30 1 434 187 45 PRO CA C 65.290 0.30 1 435 187 45 PRO CB C 33.212 0.30 1 436 187 45 PRO CD C 50.678 0.30 1 437 187 45 PRO CG C 28.835 0.30 1 438 188 46 ALA H H 8.545 0.05 1 439 188 46 ALA HA H 4.389 0.05 1 440 188 46 ALA HB H 1.537 0.05 1 441 188 46 ALA CA C 55.129 0.30 1 442 188 46 ALA CB C 19.647 0.30 1 443 188 46 ALA N N 118.437 0.10 1 444 189 47 GLU H H 8.417 0.05 1 445 189 47 GLU HA H 3.951 0.05 1 446 189 47 GLU HB2 H 2.327 0.05 2 447 189 47 GLU HB3 H 2.400 0.05 2 448 189 47 GLU HG2 H 2.303 0.05 2 449 189 47 GLU C C 180.471 0.30 1 450 189 47 GLU CA C 59.898 0.30 1 451 189 47 GLU CB C 30.019 0.30 1 452 189 47 GLU CG C 37.223 0.30 1 453 190 48 ALA H H 8.399 0.05 1 454 190 48 ALA HA H 4.303 0.05 1 455 190 48 ALA HB H 1.675 0.05 1 456 190 48 ALA C C 179.043 0.30 1 457 190 48 ALA CA C 54.737 0.30 1 458 190 48 ALA CB C 18.177 0.30 1 459 190 48 ALA N N 122.493 0.10 1 460 191 49 SER H H 7.953 0.05 1 461 191 49 SER HA H 4.603 0.05 1 462 191 49 SER HB2 H 3.985 0.05 2 463 191 49 SER HB3 H 4.103 0.05 2 464 191 49 SER HG H 5.097 0.05 1 465 191 49 SER C C 174.978 0.30 1 466 191 49 SER CA C 59.912 0.30 1 467 191 49 SER CB C 65.025 0.30 1 468 191 49 SER N N 112.078 0.10 1 469 192 50 GLY H H 7.655 0.05 1 470 192 50 GLY HA2 H 3.794 0.05 2 471 192 50 GLY HA3 H 4.492 0.05 2 472 192 50 GLY C C 173.913 0.30 1 473 192 50 GLY CA C 44.984 0.30 1 474 192 50 GLY N N 107.816 0.10 1 475 193 51 LEU H H 7.275 0.05 1 476 193 51 LEU HA H 3.991 0.05 1 477 193 51 LEU HB2 H 1.206 0.05 2 478 193 51 LEU HB3 H 1.379 0.05 2 479 193 51 LEU HD1 H 0.239 0.05 2 480 193 51 LEU HD2 H 0.699 0.05 2 481 193 51 LEU HG H 1.457 0.05 1 482 193 51 LEU C C 175.328 0.30 1 483 193 51 LEU CA C 55.615 0.30 1 484 193 51 LEU CB C 43.882 0.30 1 485 193 51 LEU CD1 C 26.161 0.30 2 486 193 51 LEU CD2 C 25.181 0.30 2 487 193 51 LEU CG C 25.867 0.30 1 488 193 51 LEU N N 123.973 0.10 1 489 194 52 ARG H H 8.791 0.05 1 490 194 52 ARG HA H 4.690 0.05 1 491 194 52 ARG HB2 H 1.817 0.05 2 492 194 52 ARG HB3 H 1.817 0.05 2 493 194 52 ARG HD2 H 3.171 0.05 2 494 194 52 ARG HD3 H 3.331 0.05 2 495 194 52 ARG HG2 H 1.591 0.05 2 496 194 52 ARG HG3 H 1.683 0.05 2 497 194 52 ARG C C 175.488 0.30 1 498 194 52 ARG CA C 54.052 0.30 1 499 194 52 ARG CB C 34.241 0.30 1 500 194 52 ARG CD C 44.152 0.30 1 501 194 52 ARG CG C 26.925 0.30 1 502 194 52 ARG N N 123.870 0.10 1 503 195 53 ALA H H 8.667 0.05 1 504 195 53 ALA HA H 3.821 0.05 1 505 195 53 ALA HB H 1.473 0.05 1 506 195 53 ALA C C 179.172 0.30 1 507 195 53 ALA CA C 53.674 0.30 1 508 195 53 ALA CB C 18.050 0.30 1 509 195 53 ALA N N 122.139 0.10 1 510 196 54 GLN H H 9.656 0.05 1 511 196 54 GLN HA H 4.017 0.05 1 512 196 54 GLN HB2 H 2.546 0.05 2 513 196 54 GLN HB3 H 2.733 0.05 2 514 196 54 GLN HE21 H 6.883 0.05 2 515 196 54 GLN HE22 H 7.593 0.05 2 516 196 54 GLN HG2 H 2.451 0.05 2 517 196 54 GLN HG3 H 2.451 0.05 2 518 196 54 GLN C C 175.276 0.30 1 519 196 54 GLN CA C 58.745 0.30 1 520 196 54 GLN CB C 26.611 0.30 1 521 196 54 GLN CG C 34.642 0.30 1 522 196 54 GLN N N 115.414 0.10 1 523 197 55 ASP H H 7.933 0.05 1 524 197 55 ASP HA H 4.866 0.05 1 525 197 55 ASP HB2 H 2.166 0.05 2 526 197 55 ASP HB3 H 2.846 0.05 2 527 197 55 ASP C C 174.750 0.30 1 528 197 55 ASP CA C 55.451 0.30 1 529 197 55 ASP CB C 41.704 0.30 1 530 197 55 ASP N N 120.931 0.10 1 531 198 56 ARG H H 8.907 0.05 1 532 198 56 ARG HA H 4.693 0.05 1 533 198 56 ARG HB2 H 1.514 0.05 2 534 198 56 ARG HB3 H 1.624 0.05 2 535 198 56 ARG C C 176.582 0.30 1 536 198 56 ARG CA C 54.359 0.30 1 537 198 56 ARG CB C 33.061 0.30 1 538 198 56 ARG N N 121.172 0.10 1 539 199 57 ILE H H 7.953 0.05 1 540 199 57 ILE HA H 3.795 0.05 1 541 199 57 ILE HB H 1.602 0.05 1 542 199 57 ILE HD1 H 0.632 0.05 1 543 199 57 ILE HG12 H 0.777 0.05 2 544 199 57 ILE HG13 H 1.415 0.05 2 545 199 57 ILE HG2 H 0.622 0.05 1 546 199 57 ILE C C 174.363 0.30 1 547 199 57 ILE CA C 62.559 0.30 1 548 199 57 ILE CB C 38.585 0.30 1 549 199 57 ILE CD1 C 14.347 0.30 1 550 199 57 ILE CG1 C 28.094 0.30 1 551 199 57 ILE CG2 C 18.023 0.30 1 552 199 57 ILE N N 123.903 0.10 1 553 200 58 VAL H H 9.212 0.05 1 554 200 58 VAL HA H 4.186 0.05 1 555 200 58 VAL HB H 1.666 0.05 1 556 200 58 VAL HG1 H 0.754 0.05 2 557 200 58 VAL HG2 H 1.077 0.05 2 558 200 58 VAL C C 175.865 0.30 1 559 200 58 VAL CA C 63.589 0.30 1 560 200 58 VAL CB C 33.513 0.30 1 561 200 58 VAL CG1 C 21.795 0.30 2 562 200 58 VAL CG2 C 21.799 0.30 2 563 200 58 VAL N N 126.739 0.10 1 564 201 59 GLU H H 7.775 0.05 1 565 201 59 GLU HA H 5.279 0.05 1 566 201 59 GLU HB2 H 1.559 0.05 2 567 201 59 GLU HB3 H 1.933 0.05 2 568 201 59 GLU HG2 H 1.962 0.05 2 569 201 59 GLU HG3 H 2.134 0.05 2 570 201 59 GLU C C 175.978 0.30 1 571 201 59 GLU CA C 54.321 0.30 1 572 201 59 GLU CB C 34.954 0.30 1 573 201 59 GLU CG C 35.786 0.30 1 574 201 59 GLU N N 115.001 0.10 1 575 202 60 VAL H H 8.110 0.05 1 576 202 60 VAL HA H 4.492 0.05 1 577 202 60 VAL HB H 1.846 0.05 1 578 202 60 VAL HG1 H 0.747 0.05 2 579 202 60 VAL HG2 H 0.869 0.05 2 580 202 60 VAL C C 176.189 0.30 1 581 202 60 VAL CA C 61.186 0.30 1 582 202 60 VAL CB C 34.034 0.30 1 583 202 60 VAL CG1 C 21.004 0.30 2 584 202 60 VAL CG2 C 21.077 0.30 2 585 202 60 VAL N N 118.540 0.10 1 586 203 61 ASN H H 10.010 0.05 1 587 203 61 ASN HA H 4.375 0.05 1 588 203 61 ASN HB2 H 2.956 0.05 2 589 203 61 ASN HB3 H 3.067 0.05 2 590 203 61 ASN HD21 H 7.851 0.05 2 591 203 61 ASN HD22 H 8.174 0.05 2 592 203 61 ASN C C 175.136 0.30 1 593 203 61 ASN CA C 54.560 0.30 1 594 203 61 ASN CB C 37.175 0.30 1 595 203 61 ASN N N 128.454 0.10 1 596 203 61 ASN ND2 N 116.320 0.10 1 597 204 62 GLY H H 9.204 0.05 1 598 204 62 GLY HA2 H 3.676 0.05 2 599 204 62 GLY HA3 H 4.077 0.05 2 600 204 62 GLY C C 173.625 0.30 1 601 204 62 GLY CA C 45.138 0.30 1 602 204 62 GLY N N 103.344 0.10 1 603 205 63 VAL H H 7.823 0.05 1 604 205 63 VAL HA H 4.165 0.05 1 605 205 63 VAL HB H 2.048 0.05 1 606 205 63 VAL HG1 H 0.947 0.05 2 607 205 63 VAL HG2 H 0.947 0.05 2 608 205 63 VAL C C 175.312 0.30 1 609 205 63 VAL CA C 61.438 0.30 1 610 205 63 VAL CB C 32.793 0.30 1 611 205 63 VAL CG1 C 21.169 0.30 2 612 205 63 VAL CG2 C 21.169 0.30 2 613 205 63 VAL N N 122.093 0.10 1 614 206 64 CYS H H 9.016 0.05 1 615 206 64 CYS HA H 4.368 0.05 1 616 206 64 CYS HB2 H 2.880 0.05 2 617 206 64 CYS HB3 H 3.299 0.05 2 618 206 64 CYS C C 176.016 0.30 1 619 206 64 CYS CA C 61.404 0.30 1 620 206 64 CYS CB C 27.579 0.30 1 621 206 64 CYS N N 127.888 0.10 1 622 207 65 MET H H 9.236 0.05 1 623 207 65 MET HA H 4.863 0.05 1 624 207 65 MET HB2 H 1.651 0.05 2 625 207 65 MET HB3 H 1.651 0.05 2 626 207 65 MET HE H 1.978 0.05 1 627 207 65 MET HG2 H 2.552 0.05 2 628 207 65 MET HG3 H 2.631 0.05 2 629 207 65 MET C C 176.976 0.30 1 630 207 65 MET CA C 54.301 0.30 1 631 207 65 MET CB C 33.239 0.30 1 632 207 65 MET CE C 19.393 0.30 1 633 207 65 MET CG C 32.823 0.30 1 634 207 65 MET N N 127.012 0.10 1 635 208 66 GLU H H 8.271 0.05 1 636 208 66 GLU HA H 4.331 0.05 1 637 208 66 GLU HB2 H 2.076 0.05 2 638 208 66 GLU HB3 H 2.076 0.05 2 639 208 66 GLU HG2 H 2.252 0.05 2 640 208 66 GLU HG3 H 2.252 0.05 2 641 208 66 GLU C C 178.113 0.30 1 642 208 66 GLU CA C 58.440 0.30 1 643 208 66 GLU CB C 29.340 0.30 1 644 208 66 GLU CG C 35.382 0.30 1 645 208 66 GLU N N 125.699 0.10 1 646 209 67 GLY H H 9.134 0.05 1 647 209 67 GLY HA2 H 3.849 0.05 2 648 209 67 GLY HA3 H 4.240 0.05 2 649 209 67 GLY C C 174.392 0.30 1 650 209 67 GLY CA C 45.707 0.30 1 651 209 67 GLY N N 114.267 0.10 1 652 210 68 LYS H H 7.620 0.05 1 653 210 68 LYS HA H 4.638 0.05 1 654 210 68 LYS HB2 H 1.976 0.05 2 655 210 68 LYS HB3 H 2.052 0.05 2 656 210 68 LYS HD2 H 1.686 0.05 2 657 210 68 LYS HD3 H 1.686 0.05 2 658 210 68 LYS HE2 H 3.035 0.05 2 659 210 68 LYS HE3 H 3.035 0.05 2 660 210 68 LYS HG2 H 1.320 0.05 2 661 210 68 LYS HG3 H 1.534 0.05 2 662 210 68 LYS C C 175.984 0.30 1 663 210 68 LYS CA C 54.571 0.30 1 664 210 68 LYS CB C 32.682 0.30 1 665 210 68 LYS CG C 25.599 0.30 1 666 210 68 LYS N N 119.085 0.10 1 667 211 69 GLN H H 9.001 0.05 1 668 211 69 GLN HA H 4.621 0.05 1 669 211 69 GLN HB2 H 2.070 0.05 2 670 211 69 GLN HB3 H 1.981 0.05 2 671 211 69 GLN HE21 H 6.946 0.05 2 672 211 69 GLN HE22 H 7.678 0.05 2 673 211 69 GLN HG2 H 2.527 0.05 2 674 211 69 GLN HG3 H 2.583 0.05 2 675 211 69 GLN C C 177.031 0.30 1 676 211 69 GLN CA C 54.575 0.30 1 677 211 69 GLN CB C 30.974 0.30 1 678 211 69 GLN CG C 33.962 0.30 1 679 211 69 GLN N N 117.540 0.10 1 680 211 69 GLN NE2 N 113.657 0.10 1 681 212 70 HIS H H 8.924 0.05 1 682 212 70 HIS HA H 3.750 0.05 1 683 212 70 HIS HB2 H 3.084 0.05 2 684 212 70 HIS HB3 H 3.285 0.05 2 685 212 70 HIS HD2 H 6.863 0.05 1 686 212 70 HIS C C 177.480 0.30 1 687 212 70 HIS CA C 61.609 0.30 1 688 212 70 HIS CB C 30.974 0.30 1 689 212 70 HIS N N 122.116 0.10 1 690 213 71 GLY H H 9.163 0.05 1 691 213 71 GLY HA2 H 3.813 0.05 2 692 213 71 GLY HA3 H 4.001 0.05 2 693 213 71 GLY C C 176.737 0.30 1 694 213 71 GLY CA C 46.883 0.30 1 695 213 71 GLY N N 103.037 0.10 1 696 214 72 ASP H H 7.378 0.05 1 697 214 72 ASP HA H 4.509 0.05 1 698 214 72 ASP HB2 H 2.707 0.05 2 699 214 72 ASP HB3 H 3.076 0.05 2 700 214 72 ASP C C 178.711 0.30 1 701 214 72 ASP CA C 56.987 0.30 1 702 214 72 ASP CB C 41.313 0.30 1 703 214 72 ASP N N 120.418 0.10 1 704 215 73 VAL H H 7.579 0.05 1 705 215 73 VAL HA H 3.747 0.05 1 706 215 73 VAL HB H 1.992 0.05 1 707 215 73 VAL HG1 H 0.770 0.05 2 708 215 73 VAL HG2 H 0.951 0.05 2 709 215 73 VAL C C 177.616 0.30 1 710 215 73 VAL CA C 66.435 0.30 1 711 215 73 VAL CB C 31.679 0.30 1 712 215 73 VAL CG1 C 21.866 0.30 2 713 215 73 VAL CG2 C 22.361 0.30 2 714 215 73 VAL N N 122.342 0.10 1 715 216 74 VAL H H 8.136 0.05 1 716 216 74 VAL HA H 3.427 0.05 1 717 216 74 VAL HB H 1.996 0.05 1 718 216 74 VAL HG1 H 0.802 0.05 2 719 216 74 VAL HG2 H 0.939 0.05 2 720 216 74 VAL C C 178.634 0.30 1 721 216 74 VAL CA C 67.598 0.30 1 722 216 74 VAL CB C 31.645 0.30 1 723 216 74 VAL CG1 C 23.004 0.30 2 724 216 74 VAL CG2 C 21.205 0.30 2 725 216 74 VAL N N 118.640 0.10 1 726 217 75 SER H H 8.220 0.05 1 727 217 75 SER HA H 4.188 0.05 1 728 217 75 SER HB2 H 4.013 0.05 2 729 217 75 SER HB3 H 4.106 0.05 2 730 217 75 SER C C 176.700 0.30 1 731 217 75 SER CA C 62.564 0.30 1 732 217 75 SER CB C 62.691 0.30 1 733 217 75 SER N N 114.539 0.10 1 734 218 76 ALA H H 7.829 0.05 1 735 218 76 ALA HA H 4.255 0.05 1 736 218 76 ALA HB H 1.574 0.05 1 737 218 76 ALA C C 180.641 0.30 1 738 218 76 ALA CA C 55.191 0.30 1 739 218 76 ALA CB C 17.852 0.30 1 740 218 76 ALA N N 124.314 0.10 1 741 219 77 ILE H H 8.238 0.05 1 742 219 77 ILE HA H 3.597 0.05 1 743 219 77 ILE HB H 2.054 0.05 1 744 219 77 ILE HD1 H 0.861 0.05 1 745 219 77 ILE HG12 H 1.003 0.05 2 746 219 77 ILE HG13 H 2.077 0.05 2 747 219 77 ILE HG2 H 1.035 0.05 1 748 219 77 ILE C C 181.415 0.30 1 749 219 77 ILE CA C 65.240 0.30 1 750 219 77 ILE CB C 38.508 0.30 1 751 219 77 ILE CD1 C 14.174 0.30 1 752 219 77 ILE CG1 C 29.478 0.30 1 753 219 77 ILE CG2 C 16.787 0.30 1 754 219 77 ILE N N 118.706 0.10 1 755 220 78 ARG H H 8.813 0.05 1 756 220 78 ARG HA H 4.245 0.05 1 757 220 78 ARG HB2 H 2.029 0.05 2 758 220 78 ARG HD2 H 3.228 0.05 2 759 220 78 ARG HD3 H 3.228 0.05 2 760 220 78 ARG HG2 H 1.809 0.05 2 761 220 78 ARG HG3 H 1.954 0.05 2 762 220 78 ARG C C 178.401 0.30 1 763 220 78 ARG CA C 60.084 0.30 1 764 220 78 ARG CB C 30.342 0.30 1 765 220 78 ARG CG C 28.218 0.30 1 766 220 78 ARG N N 123.018 0.10 1 767 221 79 ALA H H 8.336 0.05 1 768 221 79 ALA HA H 4.317 0.05 1 769 221 79 ALA HB H 1.594 0.05 1 770 221 79 ALA C C 178.827 0.30 1 771 221 79 ALA CA C 54.225 0.30 1 772 221 79 ALA CB C 18.515 0.30 1 773 221 79 ALA N N 120.741 0.10 1 774 222 80 GLY H H 7.289 0.05 1 775 222 80 GLY HA2 H 4.306 0.05 2 776 222 80 GLY HA3 H 4.306 0.05 2 777 222 80 GLY C C 174.521 0.30 1 778 222 80 GLY CA C 45.395 0.30 1 779 222 80 GLY N N 102.542 0.10 1 780 223 81 GLY H H 7.858 0.05 1 781 223 81 GLY HA2 H 3.805 0.05 2 782 223 81 GLY HA3 H 4.319 0.05 2 783 223 81 GLY C C 174.541 0.30 1 784 223 81 GLY CA C 46.626 0.30 1 785 223 81 GLY N N 107.310 0.10 1 786 224 82 ASP H H 9.043 0.05 1 787 224 82 ASP HA H 4.704 0.05 1 788 224 82 ASP HB2 H 2.755 0.05 2 789 224 82 ASP HB3 H 3.032 0.05 2 790 224 82 ASP C C 173.824 0.30 1 791 224 82 ASP CA C 54.700 0.30 1 792 224 82 ASP CB C 41.147 0.30 1 793 224 82 ASP N N 127.248 0.10 1 794 225 83 GLU H H 7.538 0.05 1 795 225 83 GLU HA H 5.521 0.05 1 796 225 83 GLU HB2 H 2.034 0.05 2 797 225 83 GLU HB3 H 2.140 0.05 2 798 225 83 GLU HG2 H 2.245 0.05 2 799 225 83 GLU HG3 H 2.245 0.05 2 800 225 83 GLU C C 175.585 0.30 1 801 225 83 GLU CA C 55.035 0.30 1 802 225 83 GLU CB C 34.018 0.30 1 803 225 83 GLU CG C 36.499 0.30 1 804 225 83 GLU N N 117.992 0.10 1 805 226 84 THR H H 8.721 0.05 1 806 226 84 THR HA H 4.745 0.05 1 807 226 84 THR HB H 3.860 0.05 1 808 226 84 THR HG1 H 4.163 0.05 1 809 226 84 THR HG2 H 0.528 0.05 1 810 226 84 THR C C 171.071 0.30 1 811 226 84 THR CA C 62.625 0.30 1 812 226 84 THR CB C 70.796 0.30 1 813 226 84 THR CG2 C 18.656 0.30 1 814 226 84 THR N N 115.838 0.10 1 815 227 85 LYS H H 7.926 0.05 1 816 227 85 LYS HA H 5.165 0.05 1 817 227 85 LYS HB2 H 1.622 0.05 2 818 227 85 LYS HB3 H 1.820 0.05 2 819 227 85 LYS HD2 H 1.676 0.05 2 820 227 85 LYS HD3 H 1.676 0.05 2 821 227 85 LYS HE2 H 2.954 0.05 2 822 227 85 LYS HE3 H 2.981 0.05 2 823 227 85 LYS HG2 H 1.512 0.05 2 824 227 85 LYS HG3 H 1.512 0.05 2 825 227 85 LYS C C 175.241 0.30 1 826 227 85 LYS CA C 54.809 0.30 1 827 227 85 LYS CB C 34.787 0.30 1 828 227 85 LYS CD C 29.782 0.30 1 829 227 85 LYS CE C 41.944 0.30 1 830 227 85 LYS CG C 24.868 0.30 1 831 227 85 LYS N N 125.203 0.10 1 832 228 86 LEU H H 9.000 0.05 1 833 228 86 LEU HA H 5.208 0.05 1 834 228 86 LEU HB2 H 1.051 0.05 2 835 228 86 LEU HB3 H 1.583 0.05 2 836 228 86 LEU HD1 H 0.797 0.05 2 837 228 86 LEU HD2 H 0.377 0.05 2 838 228 86 LEU HG H 1.511 0.05 1 839 228 86 LEU C C 175.125 0.30 1 840 228 86 LEU CA C 52.490 0.30 1 841 228 86 LEU CB C 44.712 0.30 1 842 228 86 LEU CD1 C 24.716 0.30 2 843 228 86 LEU CD2 C 25.971 0.30 2 844 228 86 LEU CG C 26.358 0.30 1 845 228 86 LEU N N 124.406 0.10 1 846 229 87 LEU H H 8.610 0.05 1 847 229 87 LEU HA H 5.402 0.05 1 848 229 87 LEU HB2 H 1.464 0.05 2 849 229 87 LEU HB3 H 1.741 0.05 2 850 229 87 LEU HD1 H 0.516 0.05 2 851 229 87 LEU HD2 H 0.720 0.05 2 852 229 87 LEU HG H 1.215 0.05 1 853 229 87 LEU C C 176.452 0.30 1 854 229 87 LEU CA C 54.071 0.30 1 855 229 87 LEU CB C 43.885 0.30 1 856 229 87 LEU CD1 C 25.275 0.30 2 857 229 87 LEU CD2 C 24.966 0.30 2 858 229 87 LEU CG C 27.426 0.30 1 859 229 87 LEU N N 127.201 0.10 1 860 230 88 VAL H H 9.386 0.05 1 861 230 88 VAL HA H 5.636 0.05 1 862 230 88 VAL HB H 1.880 0.05 1 863 230 88 VAL HG1 H 0.614 0.05 2 864 230 88 VAL HG2 H 0.785 0.05 2 865 230 88 VAL C C 174.875 0.30 1 866 230 88 VAL CA C 58.360 0.30 1 867 230 88 VAL CB C 36.781 0.30 1 868 230 88 VAL CG1 C 21.176 0.30 2 869 230 88 VAL CG2 C 18.013 0.30 2 870 230 88 VAL N N 120.604 0.10 1 871 231 89 VAL H H 8.119 0.05 1 872 231 89 VAL HA H 4.992 0.05 1 873 231 89 VAL HB H 2.233 0.05 1 874 231 89 VAL HG1 H 0.846 0.05 2 875 231 89 VAL HG2 H 0.691 0.05 2 876 231 89 VAL C C 175.673 0.30 1 877 231 89 VAL CA C 58.517 0.30 1 878 231 89 VAL CB C 35.435 0.30 1 879 231 89 VAL CG1 C 17.806 0.30 2 880 231 89 VAL CG2 C 23.717 0.30 2 881 231 89 VAL N N 107.414 0.10 1 882 232 90 ASP H H 7.755 0.05 1 883 232 90 ASP HA H 4.940 0.05 1 884 232 90 ASP HB2 H 2.707 0.05 2 885 232 90 ASP HB3 H 3.419 0.05 2 886 232 90 ASP C C 175.789 0.30 1 887 232 90 ASP CA C 52.821 0.30 1 888 232 90 ASP CB C 41.370 0.30 1 889 232 90 ASP N N 121.912 0.10 1 890 233 91 ARG H H 9.111 0.05 1 891 233 91 ARG HA H 4.363 0.05 1 892 233 91 ARG HB2 H 1.967 0.05 2 893 233 91 ARG HB3 H 2.054 0.05 2 894 233 91 ARG HD2 H 3.329 0.05 2 895 233 91 ARG HD3 H 3.388 0.05 2 896 233 91 ARG HG2 H 1.840 0.05 2 897 233 91 ARG HG3 H 1.971 0.05 2 898 233 91 ARG C C 179.196 0.30 1 899 233 91 ARG CA C 60.307 0.30 1 900 233 91 ARG CB C 30.139 0.30 1 901 233 91 ARG CD C 43.406 0.30 1 902 233 91 ARG CG C 27.046 0.30 1 903 233 91 ARG N N 120.570 0.10 1 904 234 92 GLU H H 8.782 0.05 1 905 234 92 GLU HA H 4.119 0.05 1 906 234 92 GLU HB2 H 2.042 0.05 2 907 234 92 GLU HB3 H 2.164 0.05 2 908 234 92 GLU HG2 H 2.387 0.05 2 909 234 92 GLU HG3 H 2.457 0.05 2 910 234 92 GLU C C 180.200 0.30 1 911 234 92 GLU CA C 60.145 0.30 1 912 234 92 GLU CB C 29.103 0.30 1 913 234 92 GLU CG C 37.084 0.30 1 914 234 92 GLU N N 119.341 0.10 1 915 235 93 THR H H 8.578 0.05 1 916 235 93 THR HA H 4.044 0.05 1 917 235 93 THR HB H 4.137 0.05 1 918 235 93 THR HG1 H 6.123 0.05 1 919 235 93 THR HG2 H 1.222 0.05 1 920 235 93 THR C C 175.712 0.30 1 921 235 93 THR CA C 68.050 0.30 1 922 235 93 THR CB C 67.811 0.30 1 923 235 93 THR CG2 C 22.361 0.30 1 924 235 93 THR N N 120.089 0.10 1 925 236 94 ASP H H 8.954 0.05 1 926 236 94 ASP HA H 4.550 0.05 1 927 236 94 ASP HB2 H 2.986 0.05 2 928 236 94 ASP HB3 H 3.155 0.05 2 929 236 94 ASP C C 179.042 0.30 1 930 236 94 ASP CA C 57.191 0.30 1 931 236 94 ASP CB C 41.593 0.30 1 932 236 94 ASP N N 123.237 0.10 1 933 237 95 GLU H H 8.346 0.05 1 934 237 95 GLU HA H 4.036 0.05 1 935 237 95 GLU HB2 H 2.253 0.05 2 936 237 95 GLU HB3 H 2.213 0.05 2 937 237 95 GLU HG2 H 2.495 0.05 2 938 237 95 GLU HG3 H 2.565 0.05 2 939 237 95 GLU C C 176.156 0.30 1 940 237 95 GLU CA C 59.429 0.30 1 941 237 95 GLU CB C 29.481 0.30 1 942 237 95 GLU CG C 36.485 0.30 1 943 237 95 GLU N N 116.104 0.10 1 944 238 96 PHE H H 8.058 0.05 1 945 238 96 PHE HA H 4.373 0.05 1 946 238 96 PHE HB2 H 3.414 0.05 2 947 238 96 PHE HB3 H 3.414 0.05 2 948 238 96 PHE HD1 H 7.005 0.05 3 949 238 96 PHE HD2 H 7.005 0.05 3 950 238 96 PHE HE1 H 6.786 0.05 3 951 238 96 PHE HE2 H 6.786 0.05 3 952 238 96 PHE HZ H 7.227 0.05 1 953 238 96 PHE C C 177.607 0.30 1 954 238 96 PHE CA C 61.383 0.30 1 955 238 96 PHE CB C 39.440 0.30 1 956 238 96 PHE CD1 C 131.934 0.30 3 957 238 96 PHE CE1 C 130.705 0.30 3 958 238 96 PHE CZ C 132.078 0.30 1 959 238 96 PHE N N 121.444 0.10 1 960 239 97 PHE H H 8.861 0.05 1 961 239 97 PHE HA H 3.457 0.05 1 962 239 97 PHE HB2 H 3.118 0.05 2 963 239 97 PHE HB3 H 3.633 0.05 2 964 239 97 PHE HD1 H 7.436 0.05 3 965 239 97 PHE HD2 H 7.436 0.05 3 966 239 97 PHE HE1 H 6.690 0.05 3 967 239 97 PHE HE2 H 6.690 0.05 3 968 239 97 PHE HZ H 7.002 0.05 1 969 239 97 PHE C C 179.057 0.30 1 970 239 97 PHE CA C 64.516 0.30 1 971 239 97 PHE CB C 36.881 0.30 1 972 239 97 PHE CD1 C 131.375 0.30 3 973 239 97 PHE CE1 C 130.973 0.30 3 974 239 97 PHE CZ C 128.761 0.30 1 975 239 97 PHE N N 120.165 0.10 1 976 240 98 LYS H H 8.472 0.05 1 977 240 98 LYS HA H 4.229 0.05 1 978 240 98 LYS HB2 H 1.938 0.05 2 979 240 98 LYS HB3 H 2.045 0.05 2 980 240 98 LYS HD2 H 1.642 0.05 2 981 240 98 LYS HD3 H 1.642 0.05 2 982 240 98 LYS HE2 H 2.980 0.05 2 983 240 98 LYS HG2 H 1.461 0.05 2 984 240 98 LYS HG3 H 1.741 0.05 2 985 240 98 LYS C C 181.449 0.30 1 986 240 98 LYS CA C 59.936 0.30 1 987 240 98 LYS CB C 32.180 0.30 1 988 240 98 LYS CD C 29.301 0.30 1 989 240 98 LYS CG C 26.025 0.30 1 990 240 98 LYS N N 119.357 0.10 1 991 241 99 LYS H H 8.013 0.05 1 992 241 99 LYS HA H 4.161 0.05 1 993 241 99 LYS HB2 H 1.988 0.05 2 994 241 99 LYS HB3 H 2.104 0.05 2 995 241 99 LYS HE2 H 3.054 0.05 2 996 241 99 LYS HE3 H 3.054 0.05 2 997 241 99 LYS HG2 H 1.580 0.05 2 998 241 99 LYS HG3 H 1.752 0.05 2 999 241 99 LYS C C 179.137 0.30 1 1000 241 99 LYS CA C 59.187 0.30 1 1001 241 99 LYS CB C 32.236 0.30 1 1002 241 99 LYS CG C 25.770 0.30 1 1003 241 99 LYS N N 121.216 0.10 1 1004 242 100 CYS H H 7.413 0.05 1 1005 242 100 CYS HA H 4.126 0.05 1 1006 242 100 CYS HB2 H 2.451 0.05 2 1007 242 100 CYS HB3 H 2.652 0.05 2 1008 242 100 CYS C C 173.391 0.30 1 1009 242 100 CYS CA C 60.359 0.30 1 1010 242 100 CYS CB C 27.212 0.30 1 1011 242 100 CYS N N 116.118 0.10 1 1012 243 101 ARG H H 7.933 0.05 1 1013 243 101 ARG HA H 3.889 0.05 1 1014 243 101 ARG HB2 H 1.926 0.05 2 1015 243 101 ARG HB3 H 2.175 0.05 2 1016 243 101 ARG HD2 H 2.906 0.05 2 1017 243 101 ARG HD3 H 3.057 0.05 2 1018 243 101 ARG HG2 H 1.511 0.05 2 1019 243 101 ARG HG3 H 1.624 0.05 2 1020 243 101 ARG C C 174.976 0.30 1 1021 243 101 ARG CA C 57.063 0.30 1 1022 243 101 ARG CB C 27.545 0.30 1 1023 243 101 ARG CD C 43.690 0.30 1 1024 243 101 ARG CG C 27.437 0.30 1 1025 243 101 ARG N N 115.633 0.10 1 1026 244 102 VAL H H 7.543 0.05 1 1027 244 102 VAL HA H 4.372 0.05 1 1028 244 102 VAL HB H 1.617 0.05 1 1029 244 102 VAL HG1 H 0.966 0.05 2 1030 244 102 VAL HG2 H 1.080 0.05 2 1031 244 102 VAL C C 175.632 0.30 1 1032 244 102 VAL CA C 60.505 0.30 1 1033 244 102 VAL CB C 36.959 0.30 1 1034 244 102 VAL CG1 C 21.798 0.30 2 1035 244 102 VAL CG2 C 21.799 0.30 2 1036 244 102 VAL N N 118.178 0.10 1 1037 245 103 ILE H H 8.572 0.05 1 1038 245 103 ILE HA H 4.368 0.05 1 1039 245 103 ILE HB H 1.873 0.05 1 1040 245 103 ILE HD1 H 0.868 0.05 1 1041 245 103 ILE HG12 H 1.275 0.05 2 1042 245 103 ILE HG13 H 1.628 0.05 2 1043 245 103 ILE HG2 H 0.969 0.05 1 1044 245 103 ILE C C 174.160 0.30 1 1045 245 103 ILE CA C 57.981 0.30 1 1046 245 103 ILE CB C 38.363 0.30 1 1047 245 103 ILE CD1 C 11.970 0.30 1 1048 245 103 ILE CG1 C 27.850 0.30 1 1049 245 103 ILE CG2 C 16.435 0.30 1 1050 245 103 ILE N N 129.427 0.10 1 1051 246 104 PRO HA H 4.110 0.05 1 1052 246 104 PRO HB2 H 0.617 0.05 2 1053 246 104 PRO HB3 H 1.179 0.05 2 1054 246 104 PRO HD2 H 3.602 0.05 2 1055 246 104 PRO HD3 H 3.853 0.05 2 1056 246 104 PRO HG2 H 1.271 0.05 2 1057 246 104 PRO HG3 H 1.756 0.05 2 1058 246 104 PRO C C 175.099 0.30 1 1059 246 104 PRO CA C 62.460 0.30 1 1060 246 104 PRO CB C 30.787 0.30 1 1061 246 104 PRO CD C 50.273 0.30 1 1062 246 104 PRO CG C 27.176 0.30 1 1063 247 105 SER H H 10.793 0.05 1 1064 247 105 SER HA H 4.605 0.05 1 1065 247 105 SER HB2 H 3.726 0.05 2 1066 247 105 SER HB3 H 4.220 0.05 2 1067 247 105 SER C C 175.760 0.30 1 1068 247 105 SER CA C 56.580 0.30 1 1069 247 105 SER CB C 67.079 0.30 1 1070 247 105 SER N N 120.309 0.10 1 1071 248 106 GLN H H 8.905 0.05 1 1072 248 106 GLN HA H 3.833 0.05 1 1073 248 106 GLN HB2 H 2.182 0.05 2 1074 248 106 GLN HB3 H 2.241 0.05 2 1075 248 106 GLN HE21 H 6.696 0.05 2 1076 248 106 GLN HE22 H 8.150 0.05 2 1077 248 106 GLN HG2 H 2.311 0.05 2 1078 248 106 GLN HG3 H 2.590 0.05 2 1079 248 106 GLN C C 178.645 0.30 1 1080 248 106 GLN CA C 59.037 0.30 1 1081 248 106 GLN CB C 28.122 0.30 1 1082 248 106 GLN CG C 35.043 0.30 1 1083 248 106 GLN N N 119.632 0.10 1 1084 248 106 GLN NE2 N 112.640 0.10 1 1085 249 107 GLU H H 8.621 0.05 1 1086 249 107 GLU HA H 4.058 0.05 1 1087 249 107 GLU HB2 H 1.686 0.05 2 1088 249 107 GLU HB3 H 1.583 0.05 2 1089 249 107 GLU HG2 H 1.978 0.05 2 1090 249 107 GLU HG3 H 1.978 0.05 2 1091 249 107 GLU C C 177.632 0.30 1 1092 249 107 GLU CA C 58.475 0.30 1 1093 249 107 GLU CB C 28.883 0.30 1 1094 249 107 GLU CG C 35.598 0.30 1 1095 249 107 GLU N N 120.101 0.10 1 1096 250 108 HIS H H 7.611 0.05 1 1097 250 108 HIS HA H 4.584 0.05 1 1098 250 108 HIS HB2 H 3.144 0.05 2 1099 250 108 HIS HB3 H 3.671 0.05 2 1100 250 108 HIS HD2 H 7.368 0.05 1 1101 250 108 HIS HE1 H 7.771 0.05 1 1102 250 108 HIS C C 175.952 0.30 1 1103 250 108 HIS CA C 57.915 0.30 1 1104 250 108 HIS CB C 31.925 0.30 1 1105 250 108 HIS CD2 C 115.240 0.30 1 1106 250 108 HIS CE1 C 138.427 0.30 1 1107 250 108 HIS N N 115.633 0.10 1 1108 251 109 LEU H H 7.615 0.05 1 1109 251 109 LEU HA H 4.170 0.05 1 1110 251 109 LEU HB2 H 1.616 0.05 2 1111 251 109 LEU HB3 H 1.930 0.05 2 1112 251 109 LEU HD1 H 0.872 0.05 2 1113 251 109 LEU HD2 H 1.050 0.05 2 1114 251 109 LEU HG H 1.711 0.05 1 1115 251 109 LEU C C 177.700 0.30 1 1116 251 109 LEU CA C 57.973 0.30 1 1117 251 109 LEU CB C 41.592 0.30 1 1118 251 109 LEU CD1 C 23.431 0.30 2 1119 251 109 LEU CD2 C 26.145 0.30 2 1120 251 109 LEU CG C 27.814 0.30 1 1121 251 109 LEU N N 120.521 0.10 1 1122 252 110 ASN HA H 4.941 0.05 1 1123 252 110 ASN HB2 H 2.652 0.05 2 1124 252 110 ASN HB3 H 2.839 0.05 2 1125 252 110 ASN HD21 H 6.955 0.05 2 1126 252 110 ASN HD22 H 7.643 0.05 2 1127 252 110 ASN C C 175.075 0.30 1 1128 252 110 ASN CA C 52.630 0.30 1 1129 252 110 ASN CB C 41.730 0.30 1 1130 252 110 ASN ND2 N 113.790 0.10 1 1131 253 111 GLY H H 7.947 0.05 1 1132 253 111 GLY HA2 H 4.261 0.05 2 1133 253 111 GLY HA3 H 4.358 0.05 2 1134 253 111 GLY CA C 44.830 0.30 1 1135 253 111 GLY N N 108.079 0.10 1 1136 254 112 PRO HA H 4.447 0.05 1 1137 254 112 PRO HB2 H 1.978 0.05 2 1138 254 112 PRO HB3 H 2.357 0.05 2 1139 254 112 PRO HD2 H 3.703 0.05 2 1140 254 112 PRO HD3 H 3.703 0.05 2 1141 254 112 PRO C C 177.375 0.30 1 1142 254 112 PRO CB C 32.155 0.30 1 1143 255 113 LEU H H 8.387 0.05 1 1144 255 113 LEU HA H 4.505 0.05 1 1145 255 113 LEU HB2 H 1.797 0.05 2 1146 255 113 LEU HB3 H 1.611 0.05 2 1147 255 113 LEU HD1 H 1.309 0.05 2 1148 255 113 LEU HD2 H 0.952 0.05 2 1149 255 113 LEU HG H 1.883 0.05 1 1150 255 113 LEU C C 176.608 0.30 1 1151 255 113 LEU CA C 52.968 0.30 1 1152 255 113 LEU CB C 41.752 0.30 1 1153 255 113 LEU CD1 C 23.479 0.30 2 1154 255 113 LEU CD2 C 25.911 0.30 2 1155 255 113 LEU CG C 27.447 0.30 1 1156 255 113 LEU N N 123.633 0.10 1 1157 256 114 PRO HA H 4.634 0.05 1 1158 256 114 PRO HB2 H 1.860 0.05 2 1159 256 114 PRO HB3 H 2.296 0.05 2 1160 256 114 PRO HD2 H 3.318 0.05 2 1161 256 114 PRO HD3 H 3.598 0.05 2 1162 256 114 PRO HG2 H 1.537 0.05 2 1163 256 114 PRO HG3 H 1.640 0.05 2 1164 256 114 PRO C C 173.074 0.30 1 1165 256 114 PRO CA C 62.401 0.30 1 1166 256 114 PRO CB C 31.840 0.30 1 1167 256 114 PRO CD C 49.966 0.30 1 1168 256 114 PRO CG C 26.438 0.30 1 1169 257 115 VAL H H 7.707 0.05 1 1170 257 115 VAL HA H 4.602 0.05 1 1171 257 115 VAL HB H 2.000 0.05 1 1172 257 115 VAL HG1 H 0.956 0.05 2 1173 257 115 VAL HG2 H 1.000 0.05 2 1174 257 115 VAL C C 175.152 0.30 1 1175 257 115 VAL CA C 58.529 0.30 1 1176 257 115 VAL CB C 33.573 0.30 1 1177 257 115 VAL CG1 C 20.356 0.30 2 1178 257 115 VAL CG2 C 21.032 0.30 2 1179 257 115 VAL N N 114.659 0.10 1 1180 258 116 PRO HA H 4.195 0.05 1 1181 258 116 PRO HB2 H 1.815 0.05 2 1182 258 116 PRO HB3 H 2.017 0.05 2 1183 258 116 PRO HD2 H 3.763 0.05 2 1184 258 116 PRO HD3 H 3.763 0.05 2 1185 258 116 PRO CA C 63.425 0.30 1 1186 258 116 PRO CB C 32.098 0.30 1 1187 258 116 PRO CD C 51.045 0.30 1 1188 259 117 PHE H H 8.041 0.05 1 1189 259 117 PHE HA H 4.609 0.05 1 1190 259 117 PHE HB2 H 3.122 0.05 2 1191 259 117 PHE HB3 H 3.154 0.05 2 1192 259 117 PHE HD1 H 7.322 0.05 3 1193 259 117 PHE HD2 H 7.322 0.05 3 1194 259 117 PHE C C 176.149 0.30 1 1195 259 117 PHE CA C 58.295 0.30 1 1196 259 117 PHE CB C 39.606 0.30 1 1197 259 117 PHE N N 121.457 0.10 1 1198 260 118 THR H H 8.137 0.05 1 1199 260 118 THR HA H 4.398 0.05 1 1200 260 118 THR HB H 4.263 0.05 1 1201 260 118 THR HG2 H 1.196 0.05 1 1202 260 118 THR C C 173.949 0.30 1 1203 260 118 THR CA C 61.308 0.30 1 1204 260 118 THR CB C 69.945 0.30 1 1205 260 118 THR CG2 C 21.325 0.30 1 1206 260 118 THR N N 116.135 0.10 1 1207 261 119 ASN H H 7.973 0.05 1 1208 261 119 ASN HA H 4.531 0.05 1 1209 261 119 ASN HB2 H 2.763 0.05 2 1210 261 119 ASN HB3 H 2.875 0.05 2 1211 261 119 ASN C C 176.255 0.30 1 1212 261 119 ASN CA C 54.850 0.30 1 1213 261 119 ASN CB C 41.036 0.30 1 1214 261 119 ASN N N 125.721 0.10 1 1215 262 120 GLY H H 8.355 0.05 1 1216 262 120 GLY HA2 H 4.007 0.05 2 1217 262 120 GLY HA3 H 4.005 0.05 2 1218 262 120 GLY C C 174.519 0.30 1 1219 262 120 GLY CA C 45.504 0.30 1 1220 262 120 GLY N N 113.771 0.10 1 1221 263 121 GLU H H 8.499 0.05 1 1222 263 121 GLU HA H 4.353 0.05 1 1223 263 121 GLU HB2 H 1.999 0.05 2 1224 263 121 GLU HB3 H 2.107 0.05 2 1225 263 121 GLU HG2 H 2.279 0.05 2 1226 263 121 GLU HG3 H 2.279 0.05 2 1227 263 121 GLU C C 176.848 0.30 1 1228 263 121 GLU CA C 56.616 0.30 1 1229 263 121 GLU CB C 30.352 0.30 1 1230 263 121 GLU CG C 36.331 0.30 1 1231 263 121 GLU N N 120.683 0.10 1 1232 264 122 ILE H H 8.207 0.05 1 1233 264 122 ILE HA H 4.172 0.05 1 1234 264 122 ILE HB H 1.903 0.05 1 1235 264 122 ILE HG12 H 1.225 0.05 2 1236 264 122 ILE HG13 H 1.540 0.05 2 1237 264 122 ILE HG2 H 0.961 0.05 1 1238 264 122 ILE C C 176.304 0.30 1 1239 264 122 ILE CA C 61.327 0.30 1 1240 264 122 ILE CB C 38.586 0.30 1 1241 264 122 ILE CD1 C 12.123 0.30 1 1242 264 122 ILE CG1 C 27.351 0.30 1 1243 264 122 ILE CG2 C 17.131 0.30 1 1244 264 122 ILE N N 121.905 0.10 1 1245 265 123 GLN H H 8.474 0.05 1 1246 265 123 GLN HA H 4.384 0.05 1 1247 265 123 GLN HB2 H 2.046 0.05 2 1248 265 123 GLN HB3 H 2.162 0.05 2 1249 265 123 GLN HG2 H 2.412 0.05 2 1250 265 123 GLN HG3 H 2.407 0.05 2 1251 265 123 GLN C C 175.953 0.30 1 1252 265 123 GLN CA C 55.824 0.30 1 1253 265 123 GLN CB C 29.315 0.30 1 1254 265 123 GLN CG C 33.772 0.30 1 1255 265 123 GLN N N 124.588 0.10 1 1256 266 124 LYS H H 8.392 0.05 1 1257 266 124 LYS HA H 4.362 0.05 1 1258 266 124 LYS HB2 H 1.853 0.05 2 1259 266 124 LYS HB3 H 1.905 0.05 2 1260 266 124 LYS HD2 H 1.750 0.05 2 1261 266 124 LYS HD3 H 1.750 0.05 2 1262 266 124 LYS HE2 H 3.075 0.05 2 1263 266 124 LYS HE3 H 3.075 0.05 2 1264 266 124 LYS HG2 H 1.500 0.05 2 1265 266 124 LYS HG3 H 1.499 0.05 2 1266 266 124 LYS C C 176.793 0.30 1 1267 266 124 LYS CA C 56.535 0.30 1 1268 266 124 LYS CB C 32.975 0.30 1 1269 266 124 LYS CD C 29.202 0.30 1 1270 266 124 LYS CE C 42.211 0.30 1 1271 266 124 LYS CG C 24.881 0.30 1 1272 266 124 LYS N N 123.204 0.10 1 1273 267 125 GLU H H 8.556 0.05 1 1274 267 125 GLU HA H 4.339 0.05 1 1275 267 125 GLU HB2 H 2.028 0.05 2 1276 267 125 GLU HB3 H 2.106 0.05 2 1277 267 125 GLU HG2 H 2.359 0.05 2 1278 267 125 GLU HG3 H 2.358 0.05 2 1279 267 125 GLU C C 176.406 0.30 1 1280 267 125 GLU CA C 56.629 0.30 1 1281 267 125 GLU CB C 30.178 0.30 1 1282 267 125 GLU CG C 36.540 0.30 1 1283 267 125 GLU N N 121.939 0.10 1 1284 268 126 ASN H H 8.546 0.05 1 1285 268 126 ASN HB2 H 2.839 0.05 2 1286 268 126 ASN HB3 H 2.933 0.05 2 1287 268 126 ASN C C 175.392 0.30 1 1288 268 126 ASN CA C 53.247 0.30 1 1289 268 126 ASN CB C 39.031 0.30 1 1290 268 126 ASN N N 119.811 0.10 1 1291 270 128 ARG H H 8.200 0.05 1 1292 270 128 ARG HA H 4.345 0.05 1 1293 270 128 ARG HB2 H 1.943 0.05 2 1294 270 128 ARG HB3 H 1.877 0.05 2 1295 270 128 ARG HD2 H 3.259 0.05 2 1296 270 128 ARG HD3 H 3.259 0.05 2 1297 270 128 ARG HG2 H 1.701 0.05 2 1298 270 128 ARG HG3 H 1.701 0.05 2 1299 270 128 ARG C C 176.840 0.30 1 1300 270 128 ARG CA C 56.634 0.30 1 1301 270 128 ARG CB C 30.342 0.30 1 1302 270 128 ARG CD C 43.421 0.30 1 1303 270 128 ARG CG C 27.170 0.30 1 1304 271 129 GLU H H 8.440 0.05 1 1305 271 129 GLU HA H 4.267 0.05 1 1306 271 129 GLU HB2 H 1.988 0.05 2 1307 271 129 GLU HB3 H 2.101 0.05 2 1308 271 129 GLU HG2 H 2.293 0.05 2 1309 271 129 GLU HG3 H 2.293 0.05 2 1310 271 129 GLU C C 176.550 0.30 1 1311 271 129 GLU CA C 57.130 0.30 1 1312 271 129 GLU CB C 30.342 0.30 1 1313 271 129 GLU CG C 37.172 0.30 1 1314 271 129 GLU N N 121.290 0.10 1 1315 272 130 ALA H H 8.243 0.05 1 1316 272 130 ALA HA H 4.353 0.05 1 1317 272 130 ALA HB H 1.453 0.05 1 1318 272 130 ALA C C 178.113 0.30 1 1319 272 130 ALA CA C 52.790 0.30 1 1320 272 130 ALA CB C 18.964 0.30 1 1321 272 130 ALA N N 124.624 0.10 1 1322 273 131 LEU H H 8.145 0.05 1 1323 273 131 LEU HA H 4.323 0.05 1 1324 273 131 LEU HB2 H 1.717 0.05 2 1325 273 131 LEU HB3 H 1.648 0.05 2 1326 273 131 LEU HD1 H 0.960 0.05 2 1327 273 131 LEU HD2 H 0.960 0.05 2 1328 273 131 LEU C C 177.568 0.30 1 1329 273 131 LEU CA C 55.402 0.30 1 1330 273 131 LEU CB C 42.070 0.30 1 1331 273 131 LEU CD1 C 23.596 0.30 2 1332 273 131 LEU CD2 C 25.053 0.30 2 1333 273 131 LEU CG C 26.965 0.30 1 1334 273 131 LEU N N 121.033 0.10 1 1335 274 132 ALA H H 8.204 0.05 1 1336 274 132 ALA HA H 4.337 0.05 1 1337 274 132 ALA HB H 1.473 0.05 1 1338 274 132 ALA C C 178.151 0.30 1 1339 274 132 ALA CA C 52.895 0.30 1 1340 274 132 ALA CB C 18.981 0.30 1 1341 274 132 ALA N N 124.445 0.10 1 1342 275 133 GLU H H 8.313 0.05 1 1343 275 133 GLU HA H 4.274 0.05 1 1344 275 133 GLU HB2 H 2.017 0.05 2 1345 275 133 GLU HB3 H 2.107 0.05 2 1346 275 133 GLU HG2 H 2.332 0.05 2 1347 275 133 GLU HG3 H 2.332 0.05 2 1348 275 133 GLU C C 176.720 0.30 1 1349 275 133 GLU CA C 57.124 0.30 1 1350 275 133 GLU CB C 30.178 0.30 1 1351 275 133 GLU CG C 36.798 0.30 1 1352 275 133 GLU N N 119.717 0.10 1 1353 276 134 ALA H H 8.193 0.05 1 1354 276 134 ALA HA H 4.344 0.05 1 1355 276 134 ALA HB H 1.456 0.05 1 1356 276 134 ALA C C 177.639 0.30 1 1357 276 134 ALA CA C 52.790 0.30 1 1358 276 134 ALA CB C 18.964 0.30 1 1359 276 134 ALA N N 124.295 0.10 1 1360 277 135 ALA H H 8.145 0.05 1 1361 277 135 ALA HA H 4.345 0.05 1 1362 277 135 ALA HB H 1.465 0.05 1 1363 277 135 ALA C C 177.746 0.30 1 1364 277 135 ALA CA C 52.607 0.30 1 1365 277 135 ALA CB C 18.981 0.30 1 1366 277 135 ALA N N 122.606 0.10 1 1367 278 136 LEU H H 8.077 0.05 1 1368 278 136 LEU HA H 4.400 0.05 1 1369 278 136 LEU HB2 H 1.649 0.05 2 1370 278 136 LEU HB3 H 1.731 0.05 2 1371 278 136 LEU HD1 H 0.926 0.05 2 1372 278 136 LEU HD2 H 0.988 0.05 2 1373 278 136 LEU C C 177.401 0.30 1 1374 278 136 LEU CA C 55.197 0.30 1 1375 278 136 LEU CB C 42.388 0.30 1 1376 278 136 LEU CD1 C 23.293 0.30 2 1377 278 136 LEU CD2 C 25.082 0.30 2 1378 278 136 LEU CG C 27.013 0.30 1 1379 278 136 LEU N N 120.948 0.10 1 1380 279 137 GLU H H 8.296 0.05 1 1381 279 137 GLU HA H 4.369 0.05 1 1382 279 137 GLU HB2 H 1.983 0.05 2 1383 279 137 GLU HB3 H 2.093 0.05 2 1384 279 137 GLU HG2 H 2.299 0.05 2 1385 279 137 GLU HG3 H 2.299 0.05 2 1386 279 137 GLU C C 176.176 0.30 1 1387 279 137 GLU CA C 56.248 0.30 1 1388 279 137 GLU CB C 30.509 0.30 1 1389 279 137 GLU CG C 35.937 0.30 1 1390 279 137 GLU N N 121.238 0.10 1 1391 280 138 SER H H 8.310 0.05 1 1392 280 138 SER HA H 4.765 0.05 1 1393 280 138 SER HB2 H 3.862 0.05 2 1394 280 138 SER HB3 H 3.862 0.05 2 1395 280 138 SER CA C 56.404 0.30 1 1396 280 138 SER CB C 63.266 0.30 1 1397 280 138 SER N N 118.333 0.10 1 1398 281 139 PRO HA H 4.507 0.05 1 1399 281 139 PRO HB2 H 1.946 0.05 2 1400 281 139 PRO HB3 H 2.328 0.05 2 1401 281 139 PRO HD2 H 3.695 0.05 2 1402 281 139 PRO HD3 H 3.873 0.05 2 1403 281 139 PRO HG2 H 2.084 0.05 2 1404 281 139 PRO HG3 H 2.084 0.05 2 1405 281 139 PRO C C 176.705 0.30 1 1406 281 139 PRO CA C 63.137 0.30 1 1407 281 139 PRO CB C 32.013 0.30 1 1408 281 139 PRO CD C 50.387 0.30 1 1409 281 139 PRO CG C 27.206 0.30 1 1410 282 140 ARG H H 8.452 0.05 1 1411 282 140 ARG HB2 H 1.775 0.05 2 1412 282 140 ARG HB3 H 1.908 0.05 2 1413 282 140 ARG CA C 53.880 0.30 1 1414 282 140 ARG N N 122.703 0.10 1 1415 283 141 PRO HA H 4.442 0.05 1 1416 283 141 PRO HB2 H 1.936 0.05 2 1417 283 141 PRO HB3 H 2.357 0.05 2 1418 283 141 PRO HD2 H 3.705 0.05 2 1419 283 141 PRO HD3 H 3.878 0.05 2 1420 283 141 PRO HG2 H 1.701 0.05 2 1421 283 141 PRO HG3 H 1.701 0.05 2 1422 283 141 PRO C C 176.515 0.30 1 1423 283 141 PRO CA C 63.165 0.30 1 1424 283 141 PRO CB C 32.016 0.30 1 1425 283 141 PRO CD C 50.460 0.30 1 1426 283 141 PRO CG C 27.329 0.30 1 1427 284 142 ALA H H 8.399 0.05 1 1428 284 142 ALA HA H 4.342 0.05 1 1429 284 142 ALA HB H 1.445 0.05 1 1430 284 142 ALA C C 177.648 0.30 1 1431 284 142 ALA CA C 52.340 0.30 1 1432 284 142 ALA CB C 19.127 0.30 1 1433 284 142 ALA N N 124.195 0.10 1 1434 285 143 LEU H H 8.193 0.05 1 1435 285 143 LEU HA H 4.415 0.05 1 1436 285 143 LEU HB2 H 1.490 0.05 2 1437 285 143 LEU HB3 H 1.653 0.05 2 1438 285 143 LEU HD1 H 0.959 0.05 2 1439 285 143 LEU HD2 H 0.959 0.05 2 1440 285 143 LEU C C 177.131 0.30 1 1441 285 143 LEU CA C 55.114 0.30 1 1442 285 143 LEU CB C 42.469 0.30 1 1443 285 143 LEU CD1 C 23.871 0.30 2 1444 285 143 LEU CD2 C 24.497 0.30 2 1445 285 143 LEU CG C 27.073 0.30 1 1446 285 143 LEU N N 121.546 0.10 1 1447 286 144 VAL H H 8.145 0.05 1 1448 286 144 VAL HA H 4.162 0.05 1 1449 286 144 VAL HB H 2.105 0.05 1 1450 286 144 VAL HG1 H 0.978 0.05 2 1451 286 144 VAL HG2 H 0.959 0.05 2 1452 286 144 VAL C C 176.006 0.30 1 1453 286 144 VAL CA C 62.168 0.30 1 1454 286 144 VAL CB C 32.806 0.30 1 1455 286 144 VAL CG1 C 21.046 0.30 2 1456 286 144 VAL CG2 C 21.034 0.30 2 1457 286 144 VAL N N 121.888 0.10 1 1458 287 145 ARG H H 8.481 0.05 1 1459 287 145 ARG HA H 4.461 0.05 1 1460 287 145 ARG HB2 H 1.822 0.05 2 1461 287 145 ARG HB3 H 1.928 0.05 2 1462 287 145 ARG HD2 H 3.258 0.05 2 1463 287 145 ARG HD3 H 3.258 0.05 2 1464 287 145 ARG HG2 H 1.681 0.05 2 1465 287 145 ARG HG3 H 1.681 0.05 2 1466 287 145 ARG C C 176.176 0.30 1 1467 287 145 ARG CA C 55.936 0.30 1 1468 287 145 ARG CB C 30.862 0.30 1 1469 287 145 ARG CD C 43.413 0.30 1 1470 287 145 ARG CG C 27.120 0.30 1 1471 287 145 ARG N N 125.494 0.10 1 1472 288 146 SER H H 8.442 0.05 1 1473 288 146 SER HA H 3.937 0.05 1 1474 288 146 SER HB2 H 4.509 0.05 2 1475 288 146 SER HB3 H 4.509 0.05 2 1476 288 146 SER C C 174.320 0.30 1 1477 288 146 SER CA C 58.208 0.30 1 1478 288 146 SER CB C 63.871 0.30 1 1479 288 146 SER N N 117.724 0.10 1 1480 289 147 ALA H H 8.494 0.05 1 1481 289 147 ALA HA H 4.456 0.05 1 1482 289 147 ALA HB H 1.481 0.05 1 1483 289 147 ALA C C 175.216 0.30 1 1484 289 147 ALA CA C 52.603 0.30 1 1485 289 147 ALA CB C 18.535 0.30 1 1486 289 147 ALA N N 126.209 0.10 1 1487 290 148 SER H H 8.352 0.05 1 1488 290 148 SER HA H 4.556 0.05 1 1489 290 148 SER HB2 H 3.942 0.05 2 1490 290 148 SER HB3 H 3.995 0.05 2 1491 290 148 SER C C 174.578 0.30 1 1492 290 148 SER CA C 58.295 0.30 1 1493 290 148 SER CB C 63.871 0.30 1 1494 290 148 SER N N 114.891 0.10 1 1495 291 149 SER H H 8.365 0.05 1 1496 291 149 SER HA H 4.519 0.05 1 1497 291 149 SER HB2 H 3.946 0.05 2 1498 291 149 SER HB3 H 3.946 0.05 2 1499 291 149 SER C C 174.275 0.30 1 1500 291 149 SER CA C 58.301 0.30 1 1501 291 149 SER CB C 63.760 0.30 1 1502 291 149 SER N N 117.665 0.10 1 1503 292 150 ASP H H 8.425 0.05 1 1504 292 150 ASP HA H 4.757 0.05 1 1505 292 150 ASP HB2 H 2.762 0.05 2 1506 292 150 ASP HB3 H 2.762 0.05 2 1507 292 150 ASP C C 176.547 0.30 1 1508 292 150 ASP CA C 54.456 0.30 1 1509 292 150 ASP CB C 41.318 0.30 1 1510 292 150 ASP N N 122.375 0.10 1 1511 293 151 THR H H 8.166 0.05 1 1512 293 151 THR HA H 4.479 0.05 1 1513 293 151 THR HG2 H 1.278 0.05 1 1514 293 151 THR C C 174.840 0.30 1 1515 293 151 THR CA C 61.806 0.30 1 1516 293 151 THR CB C 69.663 0.30 1 1517 293 151 THR CG2 C 21.573 0.30 1 1518 293 151 THR N N 113.992 0.10 1 1519 294 152 SER H H 8.412 0.05 1 1520 294 152 SER HA H 4.476 0.05 1 1521 294 152 SER HB2 H 3.967 0.05 2 1522 294 152 SER HB3 H 3.967 0.05 2 1523 294 152 SER C C 174.796 0.30 1 1524 294 152 SER CA C 58.871 0.30 1 1525 294 152 SER CB C 63.764 0.30 1 1526 294 152 SER N N 118.231 0.10 1 1527 295 153 GLU H H 8.481 0.05 1 1528 295 153 GLU HA H 4.362 0.05 1 1529 295 153 GLU HB2 H 1.991 0.05 2 1530 295 153 GLU HB3 H 2.116 0.05 2 1531 295 153 GLU HG2 H 2.308 0.05 2 1532 295 153 GLU HG3 H 2.308 0.05 2 1533 295 153 GLU C C 176.647 0.30 1 1534 295 153 GLU CA C 56.925 0.30 1 1535 295 153 GLU CB C 30.342 0.30 1 1536 295 153 GLU CG C 36.645 0.30 1 1537 295 153 GLU N N 122.862 0.10 1 1538 296 154 GLU H H 8.412 0.05 1 1539 296 154 GLU HB2 H 1.990 0.05 2 1540 296 154 GLU HB3 H 2.098 0.05 2 1541 296 154 GLU HG2 H 2.299 0.05 2 1542 296 154 GLU HG3 H 2.299 0.05 2 1543 296 154 GLU C C 176.651 0.30 1 1544 296 154 GLU CA C 56.719 0.30 1 1545 296 154 GLU CB C 30.342 0.30 1 1546 296 154 GLU CG C 36.610 0.30 1 1547 296 154 GLU N N 121.597 0.10 1 1548 297 155 LEU H H 8.255 0.05 1 1549 297 155 LEU HA H 4.303 0.05 1 1550 297 155 LEU HB2 H 1.691 0.05 2 1551 297 155 LEU HB3 H 1.691 0.05 2 1552 297 155 LEU HD1 H 0.958 0.05 2 1553 297 155 LEU HD2 H 0.958 0.05 2 1554 297 155 LEU C C 177.293 0.30 1 1555 297 155 LEU CA C 55.366 0.30 1 1556 297 155 LEU CB C 42.205 0.30 1 1557 297 155 LEU CD1 C 23.592 0.30 2 1558 297 155 LEU CD2 C 24.845 0.30 2 1559 297 155 LEU CG C 27.073 0.30 1 1560 297 155 LEU N N 122.947 0.10 1 1561 298 156 ASN H H 8.473 0.05 1 1562 298 156 ASN HA H 4.729 0.05 1 1563 298 156 ASN HB2 H 2.838 0.05 2 1564 298 156 ASN HB3 H 2.932 0.05 2 1565 298 156 ASN HD21 H 6.966 0.05 2 1566 298 156 ASN HD22 H 7.661 0.05 2 1567 298 156 ASN C C 175.437 0.30 1 1568 298 156 ASN CA C 53.403 0.30 1 1569 298 156 ASN CB C 39.022 0.30 1 1570 298 156 ASN N N 119.427 0.10 1 1571 298 156 ASN ND2 N 112.749 0.10 1 1572 299 157 SER H H 8.316 0.05 1 1573 299 157 SER HA H 4.486 0.05 1 1574 299 157 SER HB2 H 3.960 0.05 2 1575 299 157 SER HB3 H 3.960 0.05 2 1576 299 157 SER C C 174.848 0.30 1 1577 299 157 SER CA C 58.635 0.30 1 1578 299 157 SER CB C 63.760 0.30 1 1579 299 157 SER N N 116.368 0.10 1 1580 300 158 GLN HA H 4.413 0.05 1 1581 300 158 GLN HB2 H 2.081 0.05 2 1582 300 158 GLN HB3 H 2.081 0.05 2 1583 300 158 GLN HE21 H 6.893 0.05 2 1584 300 158 GLN HE22 H 7.577 0.05 2 1585 300 158 GLN HG2 H 2.422 0.05 2 1586 300 158 GLN HG3 H 2.422 0.05 2 1587 300 158 GLN C C 175.720 0.30 1 1588 300 158 GLN CA C 56.330 0.30 1 1589 300 158 GLN CB C 29.476 0.30 1 1590 300 158 GLN CG C 33.766 0.30 1 1591 300 158 GLN N N 121.839 0.10 1 1592 300 158 GLN NE2 N 112.485 0.10 1 1593 301 159 ASP H H 8.323 0.05 1 1594 301 159 ASP HA H 4.698 0.05 1 1595 301 159 ASP HB2 H 2.637 0.05 2 1596 301 159 ASP HB3 H 2.763 0.05 2 1597 301 159 ASP C C 175.905 0.30 1 1598 301 159 ASP CA C 54.369 0.30 1 1599 301 159 ASP CB C 41.318 0.30 1 1600 301 159 ASP N N 120.965 0.10 1 1601 302 160 SER H H 8.159 0.05 1 1602 302 160 SER HA H 4.784 0.05 1 1603 302 160 SER HB2 H 3.834 0.05 2 1604 302 160 SER HB3 H 3.834 0.05 2 1605 302 160 SER C C 171.983 0.30 1 1606 302 160 SER CA C 56.404 0.30 1 1607 302 160 SER CB C 63.465 0.30 1 1608 302 160 SER N N 116.915 0.10 1 1609 303 161 PRO HA H 5.088 0.05 1 1610 303 161 PRO HB2 H 2.161 0.05 2 1611 303 161 PRO HB3 H 2.511 0.05 2 1612 303 161 PRO HD2 H 3.700 0.05 2 1613 303 161 PRO HD3 H 3.872 0.05 2 1614 303 161 PRO HG2 H 1.927 0.05 2 1615 303 161 PRO HG3 H 2.035 0.05 2 1616 303 161 PRO CA C 62.098 0.30 1 1617 303 161 PRO CB C 32.846 0.30 1 1618 303 161 PRO CD C 50.344 0.30 1 1619 304 162 PRO HA H 4.468 0.05 1 1620 304 162 PRO HB2 H 2.408 0.05 2 1621 304 162 PRO HB3 H 2.404 0.05 2 1622 304 162 PRO HD2 H 3.702 0.05 2 1623 304 162 PRO HD3 H 3.853 0.05 2 1624 304 162 PRO HG2 H 1.946 0.05 2 1625 304 162 PRO HG3 H 1.946 0.05 2 1626 304 162 PRO C C 177.071 0.30 1 1627 304 162 PRO CA C 63.013 0.30 1 1628 304 162 PRO CB C 32.013 0.30 1 1629 304 162 PRO CD C 50.542 0.30 1 1630 305 163 LYS H H 8.621 0.05 1 1631 305 163 LYS HA H 4.380 0.05 1 1632 305 163 LYS HB2 H 1.835 0.05 2 1633 305 163 LYS HB3 H 1.835 0.05 2 1634 305 163 LYS HD2 H 1.709 0.05 2 1635 305 163 LYS HD3 H 1.709 0.05 2 1636 305 163 LYS HE2 H 3.070 0.05 2 1637 305 163 LYS HE3 H 3.070 0.05 2 1638 305 163 LYS HG2 H 1.525 0.05 2 1639 305 163 LYS HG3 H 1.525 0.05 2 1640 305 163 LYS C C 176.690 0.30 1 1641 305 163 LYS CA C 56.390 0.30 1 1642 305 163 LYS CB C 33.030 0.30 1 1643 305 163 LYS CD C 26.853 0.30 1 1644 305 163 LYS CE C 42.202 0.30 1 1645 305 163 LYS CG C 24.941 0.30 1 1646 305 163 LYS N N 122.298 0.10 1 1647 306 164 GLN H H 8.518 0.05 1 1648 306 164 GLN HA H 4.436 0.05 1 1649 306 164 GLN HB2 H 2.049 0.05 2 1650 306 164 GLN HB3 H 2.179 0.05 2 1651 306 164 GLN HE21 H 6.895 0.05 2 1652 306 164 GLN HE22 H 7.617 0.05 2 1653 306 164 GLN HG2 H 2.437 0.05 2 1654 306 164 GLN HG3 H 2.425 0.05 2 1655 306 164 GLN C C 175.567 0.30 1 1656 306 164 GLN CA C 55.746 0.30 1 1657 306 164 GLN CB C 29.674 0.30 1 1658 306 164 GLN CG C 33.770 0.30 1 1659 306 164 GLN N N 122.101 0.10 1 1660 306 164 GLN NE2 N 111.932 0.10 1 1661 307 165 ASP H H 8.494 0.05 1 1662 307 165 ASP HA H 4.704 0.05 1 1663 307 165 ASP HB2 H 2.780 0.05 2 1664 307 165 ASP HB3 H 2.780 0.05 2 1665 307 165 ASP C C 176.439 0.30 1 1666 307 165 ASP CA C 54.209 0.30 1 1667 307 165 ASP CB C 41.318 0.30 1 1668 307 165 ASP N N 122.178 0.10 1 1669 308 166 SER H H 8.416 0.05 1 1670 308 166 SER C C 174.848 0.30 1 1671 308 166 SER CA C 58.535 0.30 1 1672 308 166 SER CB C 63.760 0.30 1 1673 308 166 SER N N 116.711 0.10 1 1674 309 167 THR H H 8.296 0.05 1 1675 309 167 THR HA H 4.380 0.05 1 1676 309 167 THR HG2 H 1.271 0.05 1 1677 309 167 THR C C 174.127 0.30 1 1678 309 167 THR CA C 61.941 0.30 1 1679 309 167 THR CB C 69.886 0.30 1 1680 309 167 THR CG2 C 21.573 0.30 1 1681 309 167 THR N N 115.701 0.10 1 1682 310 168 ALA H H 8.234 0.05 1 1683 310 168 ALA HA H 4.639 0.05 1 1684 310 168 ALA HB H 1.429 0.05 1 1685 310 168 ALA C C 175.600 0.30 1 1686 310 168 ALA CA C 50.558 0.30 1 1687 310 168 ALA CB C 18.151 0.30 1 1688 310 168 ALA N N 127.852 0.10 1 1689 311 169 PRO HA H 4.540 0.05 1 1690 311 169 PRO HB2 H 2.014 0.05 2 1691 311 169 PRO HB3 H 2.378 0.05 2 1692 311 169 PRO HD2 H 3.710 0.05 2 1693 311 169 PRO HD3 H 3.837 0.05 2 1694 311 169 PRO HG2 H 2.089 0.05 2 1695 311 169 PRO HG3 H 2.089 0.05 2 1696 311 169 PRO C C 177.106 0.30 1 1697 311 169 PRO CA C 63.141 0.30 1 1698 311 169 PRO CB C 32.013 0.30 1 1699 311 169 PRO CD C 50.506 0.30 1 1700 311 169 PRO CG C 27.363 0.30 1 1701 312 170 SER H H 8.474 0.05 1 1702 312 170 SER C C 174.880 0.30 1 1703 312 170 SER CA C 58.247 0.30 1 1704 312 170 SER CB C 64.094 0.30 1 1705 312 170 SER N N 115.917 0.10 1 1706 313 171 SER HA H 4.591 0.05 1 1707 313 171 SER HB2 H 3.975 0.05 2 1708 313 171 SER HB3 H 3.975 0.05 2 1709 313 171 SER C C 174.859 0.30 1 1710 313 171 SER CA C 58.398 0.30 1 1711 313 171 SER CB C 63.760 0.30 1 1712 314 172 THR H H 8.268 0.05 1 1713 314 172 THR HB H 4.259 0.05 1 1714 314 172 THR HG2 H 1.199 0.05 1 1715 314 172 THR CA C 61.816 0.30 1 1716 314 172 THR CB C 70.060 0.30 1 1717 314 172 THR CG2 C 21.453 0.30 1 1718 314 172 THR N N 115.293 0.10 1 1719 317 175 SER HA H 4.558 0.05 1 1720 317 175 SER HB2 H 3.924 0.05 2 1721 317 175 SER HB3 H 3.924 0.05 2 1722 317 175 SER C C 173.829 0.30 1 1723 317 175 SER CA C 58.183 0.30 1 1724 317 175 SER CB C 63.865 0.30 1 1725 318 176 ASP H H 8.296 0.05 1 1726 318 176 ASP HA H 4.959 0.05 1 1727 318 176 ASP HB2 H 2.573 0.05 2 1728 318 176 ASP HB3 H 2.771 0.05 2 1729 318 176 ASP C C 174.496 0.30 1 1730 318 176 ASP CA C 52.603 0.30 1 1731 318 176 ASP CB C 41.120 0.30 1 1732 318 176 ASP N N 123.819 0.10 1 1733 319 177 PRO HA H 4.480 0.05 1 1734 319 177 PRO HB2 H 1.936 0.05 2 1735 319 177 PRO HB3 H 2.316 0.05 2 1736 319 177 PRO HD2 H 3.694 0.05 2 1737 319 177 PRO HD3 H 3.865 0.05 2 1738 319 177 PRO HG2 H 2.082 0.05 2 1739 319 177 PRO HG3 H 2.082 0.05 2 1740 319 177 PRO C C 177.097 0.30 1 1741 319 177 PRO CA C 63.381 0.30 1 1742 319 177 PRO CB C 32.125 0.30 1 1743 319 177 PRO CD C 50.506 0.30 1 1744 319 177 PRO CG C 27.369 0.30 1 1745 320 178 ILE H H 8.262 0.05 1 1746 320 178 ILE HA H 4.135 0.05 1 1747 320 178 ILE HB H 1.951 0.05 1 1748 320 178 ILE HG12 H 1.250 0.05 2 1749 320 178 ILE HG13 H 1.588 0.05 2 1750 320 178 ILE HG2 H 0.944 0.05 1 1751 320 178 ILE C C 176.550 0.30 1 1752 320 178 ILE CA C 61.551 0.30 1 1753 320 178 ILE CB C 38.070 0.30 1 1754 320 178 ILE CD1 C 12.747 0.30 1 1755 320 178 ILE CG1 C 27.546 0.30 1 1756 320 178 ILE CG2 C 17.277 0.30 1 1757 320 178 ILE N N 120.674 0.10 1 1758 321 179 LEU H H 8.131 0.05 1 1759 321 179 LEU HA H 4.383 0.05 1 1760 321 179 LEU HB2 H 1.571 0.05 2 1761 321 179 LEU HB3 H 1.661 0.05 2 1762 321 179 LEU HD1 H 0.940 0.05 2 1763 321 179 LEU HD2 H 0.940 0.05 2 1764 321 179 LEU C C 177.064 0.30 1 1765 321 179 LEU CA C 55.262 0.30 1 1766 321 179 LEU CB C 42.378 0.30 1 1767 321 179 LEU CD1 C 23.484 0.30 2 1768 321 179 LEU CD2 C 24.894 0.30 2 1769 321 179 LEU CG C 27.008 0.30 1 1770 321 179 LEU N N 125.197 0.10 1 1771 322 180 ASP H H 8.118 0.05 1 1772 322 180 ASP HA H 4.596 0.05 1 1773 322 180 ASP HB2 H 2.648 0.05 2 1774 322 180 ASP HB3 H 2.729 0.05 2 1775 322 180 ASP C C 176.474 0.30 1 1776 322 180 ASP CA C 54.692 0.30 1 1777 322 180 ASP CB C 41.306 0.30 1 1778 322 180 ASP N N 120.469 0.10 1 1779 323 181 PHE H H 8.179 0.05 1 1780 323 181 PHE HA H 4.546 0.05 1 1781 323 181 PHE HB2 H 3.192 0.05 2 1782 323 181 PHE HB3 H 3.195 0.05 2 1783 323 181 PHE HD1 H 7.289 0.05 3 1784 323 181 PHE HD2 H 7.289 0.05 3 1785 323 181 PHE C C 176.010 0.30 1 1786 323 181 PHE CA C 58.641 0.30 1 1787 323 181 PHE CB C 39.293 0.30 1 1788 323 181 PHE N N 121.383 0.10 1 1789 324 182 ASN H H 8.385 0.05 1 1790 324 182 ASN HA H 4.639 0.05 1 1791 324 182 ASN HB2 H 2.851 0.05 2 1792 324 182 ASN HB3 H 2.850 0.05 2 1793 324 182 ASN HD21 H 6.978 0.05 2 1794 324 182 ASN HD22 H 7.753 0.05 2 1795 324 182 ASN C C 176.184 0.30 1 1796 324 182 ASN CA C 54.332 0.30 1 1797 324 182 ASN CB C 38.695 0.30 1 1798 324 182 ASN N N 119.632 0.10 1 1799 324 182 ASN ND2 N 113.183 0.10 1 1800 325 183 ILE H H 8.077 0.05 1 1801 325 183 ILE HA H 4.132 0.05 1 1802 325 183 ILE HB H 1.999 0.05 1 1803 325 183 ILE HD1 H 0.934 0.05 1 1804 325 183 ILE HG12 H 1.277 0.05 2 1805 325 183 ILE HG13 H 1.568 0.05 2 1806 325 183 ILE HG2 H 0.992 0.05 1 1807 325 183 ILE C C 176.750 0.30 1 1808 325 183 ILE CA C 62.396 0.30 1 1809 325 183 ILE CB C 38.383 0.30 1 1810 325 183 ILE CD1 C 13.051 0.30 1 1811 325 183 ILE CG1 C 27.692 0.30 1 1812 325 183 ILE CG2 C 17.654 0.30 1 1813 325 183 ILE N N 121.289 0.10 1 1814 326 184 SER H H 8.213 0.05 1 1815 326 184 SER HA H 4.405 0.05 1 1816 326 184 SER HB2 H 4.017 0.05 2 1817 326 184 SER HB3 H 3.968 0.05 2 1818 326 184 SER C C 175.830 0.30 1 1819 326 184 SER CA C 59.632 0.30 1 1820 326 184 SER CB C 63.420 0.30 1 1821 326 184 SER N N 118.179 0.10 1 1822 327 185 LEU H H 8.138 0.05 1 1823 327 185 LEU HA H 4.261 0.05 1 1824 327 185 LEU HB2 H 1.665 0.05 2 1825 327 185 LEU HB3 H 1.665 0.05 2 1826 327 185 LEU HD1 H 0.945 0.05 2 1827 327 185 LEU HD2 H 0.945 0.05 2 1828 327 185 LEU C C 178.369 0.30 1 1829 327 185 LEU CA C 56.610 0.30 1 1830 327 185 LEU CB C 42.094 0.30 1 1831 327 185 LEU CD1 C 23.732 0.30 2 1832 327 185 LEU CD2 C 24.637 0.30 2 1833 327 185 LEU CG C 26.934 0.30 1 1834 327 185 LEU N N 123.643 0.10 1 1835 328 186 ALA H H 8.049 0.05 1 1836 328 186 ALA HA H 4.241 0.05 1 1837 328 186 ALA HB H 1.480 0.05 1 1838 328 186 ALA C C 179.398 0.30 1 1839 328 186 ALA CA C 54.073 0.30 1 1840 328 186 ALA CB C 18.519 0.30 1 1841 328 186 ALA N N 122.486 0.10 1 1842 329 187 MET H H 8.159 0.05 1 1843 329 187 MET HA H 4.412 0.05 1 1844 329 187 MET HB2 H 2.149 0.05 2 1845 329 187 MET HB3 H 2.149 0.05 2 1846 329 187 MET HG2 H 2.622 0.05 2 1847 329 187 MET HG3 H 2.735 0.05 2 1848 329 187 MET C C 177.228 0.30 1 1849 329 187 MET CA C 56.736 0.30 1 1850 329 187 MET CB C 32.552 0.30 1 1851 329 187 MET CG C 32.293 0.30 1 1852 329 187 MET N N 117.889 0.10 1 1853 330 188 ALA H H 8.097 0.05 1 1854 330 188 ALA HA H 4.283 0.05 1 1855 330 188 ALA HB H 1.522 0.05 1 1856 330 188 ALA C C 179.169 0.30 1 1857 330 188 ALA CA C 53.551 0.30 1 1858 330 188 ALA CB C 18.651 0.30 1 1859 330 188 ALA N N 123.648 0.10 1 1860 331 189 LYS H H 8.166 0.05 1 1861 331 189 LYS HA H 4.231 0.05 1 1862 331 189 LYS HB2 H 1.927 0.05 2 1863 331 189 LYS HB3 H 1.927 0.05 2 1864 331 189 LYS HD2 H 1.725 0.05 2 1865 331 189 LYS HD3 H 1.725 0.05 2 1866 331 189 LYS HE2 H 3.047 0.05 2 1867 331 189 LYS HE3 H 3.042 0.05 2 1868 331 189 LYS HG2 H 1.495 0.05 2 1869 331 189 LYS HG3 H 1.600 0.05 2 1870 331 189 LYS C C 177.749 0.30 1 1871 331 189 LYS CA C 57.912 0.30 1 1872 331 189 LYS CB C 32.673 0.30 1 1873 331 189 LYS CD C 26.971 0.30 1 1874 331 189 LYS CE C 42.133 0.30 1 1875 331 189 LYS CG C 24.887 0.30 1 1876 331 189 LYS N N 119.512 0.10 1 1877 332 190 GLU H H 8.165 0.05 1 1878 332 190 GLU HA H 4.279 0.05 1 1879 332 190 GLU HB2 H 2.161 0.05 2 1880 332 190 GLU HB3 H 2.161 0.05 2 1881 332 190 GLU HG2 H 2.355 0.05 2 1882 332 190 GLU HG3 H 2.355 0.05 2 1883 332 190 GLU C C 177.565 0.30 1 1884 332 190 GLU CA C 57.489 0.30 1 1885 332 190 GLU CB C 29.786 0.30 1 1886 332 190 GLU CG C 36.319 0.30 1 1887 332 190 GLU N N 120.291 0.10 1 1888 333 191 ARG H H 8.207 0.05 1 1889 333 191 ARG HA H 4.278 0.05 1 1890 333 191 ARG HB2 H 1.902 0.05 2 1891 333 191 ARG HB3 H 1.902 0.05 2 1892 333 191 ARG HG2 H 1.731 0.05 2 1893 333 191 ARG HG3 H 1.731 0.05 2 1894 333 191 ARG C C 177.094 0.30 1 1895 333 191 ARG CA C 57.199 0.30 1 1896 333 191 ARG CB C 30.454 0.30 1 1897 333 191 ARG CG C 27.491 0.30 1 1898 333 191 ARG N N 120.247 0.10 1 1899 334 192 ALA H H 8.077 0.05 1 1900 334 192 ALA HB H 1.441 0.05 1 1901 334 192 ALA C C 178.286 0.30 1 1902 334 192 ALA CA C 53.352 0.30 1 1903 334 192 ALA CB C 18.964 0.30 1 1904 334 192 ALA N N 122.999 0.10 1 1905 335 193 HIS H H 8.132 0.05 1 1906 335 193 HIS HA H 4.609 0.05 1 1907 335 193 HIS HB2 H 3.190 0.05 2 1908 335 193 HIS HB3 H 3.247 0.05 2 1909 335 193 HIS HD2 H 7.078 0.05 1 1910 335 193 HIS C C 176.097 0.30 1 1911 335 193 HIS CA C 56.831 0.30 1 1912 335 193 HIS CB C 30.609 0.30 1 1913 335 193 HIS N N 117.877 0.10 1 1914 336 194 GLN H H 8.169 0.05 1 1915 336 194 GLN CA C 56.380 0.30 1 1916 336 194 GLN N N 120.490 0.10 1 1917 341 199 LYS HA H 4.389 0.05 1 1918 341 199 LYS HB2 H 1.843 0.05 2 1919 341 199 LYS HB3 H 1.843 0.05 2 1920 341 199 LYS HG2 H 1.471 0.05 2 1921 341 199 LYS HG3 H 1.471 0.05 2 1922 341 199 LYS C C 176.358 0.30 1 1923 341 199 LYS CA C 56.179 0.30 1 1924 341 199 LYS CB C 32.790 0.30 1 1925 342 200 ARG H H 8.301 0.05 1 1926 342 200 ARG HA H 4.386 0.05 1 1927 342 200 ARG HB2 H 1.873 0.05 2 1928 342 200 ARG HB3 H 1.787 0.05 2 1929 342 200 ARG HD2 H 3.229 0.05 2 1930 342 200 ARG HD3 H 3.229 0.05 2 1931 342 200 ARG C C 175.567 0.30 1 1932 342 200 ARG CA C 55.731 0.30 1 1933 342 200 ARG CB C 31.030 0.30 1 1934 342 200 ARG CG C 27.002 0.30 1 1935 342 200 ARG N N 122.403 0.10 1 1936 343 201 ALA H H 8.378 0.05 1 1937 343 201 ALA HA H 4.676 0.05 1 1938 343 201 ALA HB H 1.431 0.05 1 1939 343 201 ALA CA C 50.559 0.30 1 1940 343 201 ALA CB C 18.170 0.30 1 1941 343 201 ALA N N 127.152 0.10 1 1942 344 202 PRO HA H 4.449 0.05 1 1943 344 202 PRO HB2 H 2.330 0.05 2 1944 344 202 PRO HB3 H 1.927 0.05 2 1945 344 202 PRO HD2 H 3.853 0.05 2 1946 344 202 PRO C C 176.827 0.30 1 1947 344 202 PRO CA C 63.206 0.30 1 1948 344 202 PRO CB C 31.902 0.30 1 1949 345 203 GLN H H 8.412 0.05 1 1950 345 203 GLN HB2 H 2.011 0.05 2 1951 345 203 GLN HB3 H 2.292 0.05 2 1952 345 203 GLN HG2 H 2.098 0.05 2 1953 345 203 GLN C C 175.952 0.30 1 1954 345 203 GLN CA C 55.826 0.30 1 1955 345 203 GLN CB C 30.206 0.30 1 1956 345 203 GLN N N 119.991 0.10 1 1957 348 206 TRP H H 8.334 0.05 1 1958 348 206 TRP HA H 4.751 0.05 1 1959 348 206 TRP HB2 H 3.323 0.05 2 1960 348 206 TRP HB3 H 3.473 0.05 2 1961 348 206 TRP HD1 H 7.234 0.05 1 1962 348 206 TRP HE1 H 10.179 0.05 1 1963 348 206 TRP HE3 H 7.579 0.05 1 1964 348 206 TRP HH2 H 7.231 0.05 1 1965 348 206 TRP HZ2 H 7.473 0.05 1 1966 348 206 TRP HZ3 H 7.147 0.05 1 1967 348 206 TRP CA C 57.856 0.30 1 1968 348 206 TRP CB C 29.686 0.30 1 1969 348 206 TRP CE3 C 121.067 0.30 1 1970 348 206 TRP CH2 C 124.522 0.30 1 1971 348 206 TRP CZ2 C 114.622 0.30 1 1972 348 206 TRP CZ3 C 121.944 0.30 1 1973 348 206 TRP NE1 N 129.453 0.10 1 1974 354 212 LEU HA H 4.441 0.05 1 1975 354 212 LEU HD1 H 0.827 0.05 2 1976 354 212 LEU HG H 1.408 0.05 1 1977 354 212 LEU CA C 54.573 0.30 1 1978 354 212 LEU CD1 C 23.644 0.30 2 1979 354 212 LEU CG C 26.865 0.30 1 1980 358 216 LEU HA H 4.465 0.05 1 1981 358 216 LEU HB2 H 1.475 0.05 2 1982 358 216 LEU HD1 H 0.884 0.05 2 1983 358 216 LEU HD2 H 0.910 0.05 2 1984 358 216 LEU CA C 55.196 0.30 1 1985 358 216 LEU CB C 44.221 0.30 1 1986 358 216 LEU CD1 C 24.351 0.30 2 1987 358 216 LEU CD2 C 26.036 0.30 2 stop_ save_