data_7264 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and Selected Sidechain 1H, 13C, and 15N Chemical Shift Assignments of the beta-1,4-glycosidase Cex from Cellulomonas fimi ; _BMRB_accession_number 7264 _BMRB_flat_file_name bmr7264.str _Entry_type original _Submission_date 2006-08-15 _Accession_date 2006-08-16 _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 Poon David 'K. Y.' . 2 Ludwiczek Martin L. . 3 Schubert Mario . . 4 Withers Stephen G. . 5 McIntosh Lawrence P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 304 "13C chemical shifts" 939 "15N chemical shifts" 301 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-07-17 update BMRB 'complete entry citation' 2006-11-13 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR spectroscopic characterization of a beta-(1,4)-glycosidase along its reaction pathway: stabilization upon formation of the glycosyl-enzyme intermediate. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17253772 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Poon David 'K. Y.' . 2 Ludwiczek Martin L. . 3 Schubert Mario . . 4 Kwan Emily M. . 5 Withers Stephen G. . 6 McIntosh Lawrence P. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 46 _Journal_issue 7 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1759 _Page_last 1770 _Year 2007 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Cex catalytic domain' _Enzyme_commission_number 3.2.1.91 loop_ _Mol_system_component_name _Mol_label 'Cex catalytic domain' $apo-CexCD stop_ _System_molecular_weight 34230 _System_physical_state native _System_oligomer_state protein _System_paramagnetic no _System_thiol_state 'all disulfide bound' loop_ _Biological_function Cellulase Xylanase stop_ _Database_query_date . _Details 'The family 10 catalytic domain of the beta-1,4-glycosidase Cex (or CfXyn10A) from Cellulomonas fimi' save_ ######################## # Monomeric polymers # ######################## save_apo-CexCD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common apo-CexCD _Molecular_mass 34230 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 315 _Mol_residue_sequence ; ATTLKEAADGAGRDFGFALD PNRLSEAQYKAIADSEFNLV VAENAMKWDATEPSQNSFSF GAGDRVASYAADTGKELYGH TLVWHSQLPDWAKNLNGSAF ESAMVNHVTKVADHFEGKVA SWDVVNEAFADGGGRRQDSA FQQKLGNGYIETAFRAARAA DPTAKLCINDYNVEGINAKS NSLYDLVKDFKARGVPLDCV GFQSHLIVGQVPGDFRQNLQ RFADLGVDVRITELDIRMRT PSDATKLATQAADYKKVVQA CMQVTRCQGVTVWGITDKYS WVPDVFPGEGAALVWDASYA KKPAYAAVMEAFGAS ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 THR 3 THR 4 LEU 5 LYS 6 GLU 7 ALA 8 ALA 9 ASP 10 GLY 11 ALA 12 GLY 13 ARG 14 ASP 15 PHE 16 GLY 17 PHE 18 ALA 19 LEU 20 ASP 21 PRO 22 ASN 23 ARG 24 LEU 25 SER 26 GLU 27 ALA 28 GLN 29 TYR 30 LYS 31 ALA 32 ILE 33 ALA 34 ASP 35 SER 36 GLU 37 PHE 38 ASN 39 LEU 40 VAL 41 VAL 42 ALA 43 GLU 44 ASN 45 ALA 46 MET 47 LYS 48 TRP 49 ASP 50 ALA 51 THR 52 GLU 53 PRO 54 SER 55 GLN 56 ASN 57 SER 58 PHE 59 SER 60 PHE 61 GLY 62 ALA 63 GLY 64 ASP 65 ARG 66 VAL 67 ALA 68 SER 69 TYR 70 ALA 71 ALA 72 ASP 73 THR 74 GLY 75 LYS 76 GLU 77 LEU 78 TYR 79 GLY 80 HIS 81 THR 82 LEU 83 VAL 84 TRP 85 HIS 86 SER 87 GLN 88 LEU 89 PRO 90 ASP 91 TRP 92 ALA 93 LYS 94 ASN 95 LEU 96 ASN 97 GLY 98 SER 99 ALA 100 PHE 101 GLU 102 SER 103 ALA 104 MET 105 VAL 106 ASN 107 HIS 108 VAL 109 THR 110 LYS 111 VAL 112 ALA 113 ASP 114 HIS 115 PHE 116 GLU 117 GLY 118 LYS 119 VAL 120 ALA 121 SER 122 TRP 123 ASP 124 VAL 125 VAL 126 ASN 127 GLU 128 ALA 129 PHE 130 ALA 131 ASP 132 GLY 133 GLY 134 GLY 135 ARG 136 ARG 137 GLN 138 ASP 139 SER 140 ALA 141 PHE 142 GLN 143 GLN 144 LYS 145 LEU 146 GLY 147 ASN 148 GLY 149 TYR 150 ILE 151 GLU 152 THR 153 ALA 154 PHE 155 ARG 156 ALA 157 ALA 158 ARG 159 ALA 160 ALA 161 ASP 162 PRO 163 THR 164 ALA 165 LYS 166 LEU 167 CYS 168 ILE 169 ASN 170 ASP 171 TYR 172 ASN 173 VAL 174 GLU 175 GLY 176 ILE 177 ASN 178 ALA 179 LYS 180 SER 181 ASN 182 SER 183 LEU 184 TYR 185 ASP 186 LEU 187 VAL 188 LYS 189 ASP 190 PHE 191 LYS 192 ALA 193 ARG 194 GLY 195 VAL 196 PRO 197 LEU 198 ASP 199 CYS 200 VAL 201 GLY 202 PHE 203 GLN 204 SER 205 HIS 206 LEU 207 ILE 208 VAL 209 GLY 210 GLN 211 VAL 212 PRO 213 GLY 214 ASP 215 PHE 216 ARG 217 GLN 218 ASN 219 LEU 220 GLN 221 ARG 222 PHE 223 ALA 224 ASP 225 LEU 226 GLY 227 VAL 228 ASP 229 VAL 230 ARG 231 ILE 232 THR 233 GLU 234 LEU 235 ASP 236 ILE 237 ARG 238 MET 239 ARG 240 THR 241 PRO 242 SER 243 ASP 244 ALA 245 THR 246 LYS 247 LEU 248 ALA 249 THR 250 GLN 251 ALA 252 ALA 253 ASP 254 TYR 255 LYS 256 LYS 257 VAL 258 VAL 259 GLN 260 ALA 261 CYS 262 MET 263 GLN 264 VAL 265 THR 266 ARG 267 CYS 268 GLN 269 GLY 270 VAL 271 THR 272 VAL 273 TRP 274 GLY 275 ILE 276 THR 277 ASP 278 LYS 279 TYR 280 SER 281 TRP 282 VAL 283 PRO 284 ASP 285 VAL 286 PHE 287 PRO 288 GLY 289 GLU 290 GLY 291 ALA 292 ALA 293 LEU 294 VAL 295 TRP 296 ASP 297 ALA 298 SER 299 TYR 300 ALA 301 LYS 302 LYS 303 PRO 304 ALA 305 TYR 306 ALA 307 ALA 308 VAL 309 MET 310 GLU 311 ALA 312 PHE 313 GLY 314 ALA 315 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 7265 2FCb-CexCD 100.00 315 100.00 100.00 0.00e+00 PDB 1EXP "Beta-1,4-Glycanase Cex-Cd" 99.05 312 100.00 100.00 0.00e+00 PDB 1FH7 "Crystal Structure Of The Xylanase Cex With Xylobiose- Derived Inhibitor Deoxynojirimycin" 99.05 312 100.00 100.00 0.00e+00 PDB 1FH8 "Crystal Structure Of The Xylanase Cex With Xylobiose- Derived Isofagomine Inhibitor" 99.05 312 100.00 100.00 0.00e+00 PDB 1FH9 "Crystal Structure Of The Xylanase Cex With Xylobiose- Derived Lactam Oxime Inhibitor" 99.05 312 100.00 100.00 0.00e+00 PDB 1FHD "Crystal Structure Of The Xylanase Cex With Xylobiose- Derived Imidazole Inhibitor" 99.05 312 100.00 100.00 0.00e+00 PDB 1J01 "Crystal Structure Of The Xylanase Cex With Xylobiose- Derived Inhibitor Isofagomine Lactam" 99.05 312 100.00 100.00 0.00e+00 PDB 2EXO "Crystal Structure Of The Catalytic Domain Of The Beta-1,4- Glycanase Cex From Cellulomonas Fimi" 99.05 312 100.00 100.00 0.00e+00 PDB 2HIS "Cellulomonas Fimi XylanaseCELLULASE DOUBLE MUTANT E127aH205N WITH COVALENT CELLOBIOSE" 99.05 312 99.36 99.68 0.00e+00 PDB 2XYL "Cellulomonas Fimi XylanaseCELLULASE COMPLEXED WITH 2-Deoxy- 2-Fluoro-Xylobiose" 99.05 312 100.00 100.00 0.00e+00 PDB 3CUF "Cellulomonas Fimi XylanaseCELLULASE CEX (CF XYN10A) IN Complex With Cellobiose-Like Isofagomine" 100.00 315 100.00 100.00 0.00e+00 PDB 3CUG "Cellulomonas Fimi XylanaseCELLULASE CEX (CF XYN10A) IN Complex With Cellotetraose-Like Isofagomine" 100.00 315 100.00 100.00 0.00e+00 PDB 3CUH "Cellulomonas Fimi XylanaseCELLULASE CEX (CF XYN10A) IN Complex With Cellotriose-Like Isofagomine" 100.00 315 100.00 100.00 0.00e+00 PDB 3CUI "Cellulomonas Fimi XylanaseCELLULASE CEX (CF XYN10A) IN Complex With Sulfur Substituted Beta-1,4 Xylotetraose" 100.00 315 100.00 100.00 0.00e+00 PDB 3CUJ "Cellulomonas Fimi XylanaseCELLULASE CEX (CF XYN10A) IN Complex With Sulfur Substituted Beta-1,4 Xylopentaose" 100.00 315 100.00 100.00 0.00e+00 GB AAA56791 "exoglucanase [Cellulomonas fimi]" 100.00 484 99.05 99.05 0.00e+00 GB AAA56792 "exo-beta-1,4-glucanase [Cellulomonas fimi]" 100.00 485 100.00 100.00 0.00e+00 GB AEA30147 "exoglucanase [Cellulomonas fimi ATCC 484]" 100.00 485 100.00 100.00 0.00e+00 GB AEE45406 "glycoside hydrolase family 10 [Cellulomonas fimi ATCC 484]" 100.00 510 100.00 100.00 0.00e+00 PRF 1211268A exoglucanase 100.00 484 99.05 99.05 0.00e+00 REF WP_013770432 "endo-1,4-beta-xylanase [Cellulomonas fimi]" 100.00 510 100.00 100.00 0.00e+00 REF YP_004452793 "glycoside hydrolase family 10 [Cellulomonas fimi ATCC 484]" 100.00 510 100.00 100.00 0.00e+00 SP P07986 "RecName: Full=Exoglucanase/xylanase; Includes: RecName: Full=Exoglucanase; AltName: Full=1,4-beta-cellobiohydrolase; AltName: F" 100.00 484 99.05 99.05 0.00e+00 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $apo-CexCD 'Cellulomonas fimi' 1708 Bacteria Actinobacteria Cellulomonas fimi stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $apo-CexCD 'recombinant technology' 'E. coli' Escherichia coli BL21 plasmid pUC12-1.1Cex(PTIS) stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_apo_CexCD _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $apo-CexCD 0.4 mM '[70% 2H; U-99% 13C; U-99% 15N]' 'potassium phosphate' 20 mM . 'sodium azide' 0.02 % . stop_ save_ ############################ # Computer software used # ############################ save_NMRpipe _Saveframe_category software _Name NMRPipe _Version . _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_TROSY_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TROSY HSQC' _Sample_label $apo_CexCD save_ save_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $apo_CexCD save_ save_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label $apo_CexCD save_ save_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $apo_CexCD save_ save_HN(CA)CO_5 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _Sample_label $apo_CexCD save_ save_HN(CA)CB_6 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CB _Sample_label $apo_CexCD save_ save_HN(COCA)CB_7 _Saveframe_category NMR_applied_experiment _Experiment_name HN(COCA)CB _Sample_label $apo_CexCD save_ save_NN-NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name NN-NOESY _Sample_label $apo_CexCD save_ save_HN-NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name HN-NOESY _Sample_label $apo_CexCD save_ save_1H-15N_TROSY_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TROSY HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCA _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_HN(CO)CA _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCO _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_HN(CA)CO _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _BMRB_pulse_sequence_accession_number . _Details . save_ save_HN(CA)CB _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CB _BMRB_pulse_sequence_accession_number . _Details . save_ save_HN(COCA)CB _Saveframe_category NMR_applied_experiment _Experiment_name HN(COCA)CB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NN-NOESY _Saveframe_category NMR_applied_experiment _Experiment_name NN-NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ save_HN-NOESY _Saveframe_category NMR_applied_experiment _Experiment_name HN-NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_NMR_buffering_condition _Saveframe_category sample_conditions _Details ; 20mM potassium phosphate 0.02% sodium azide ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.1 pH temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 carbon' ppm 0 external direct cylindrical 'outside sample' parallel 1.0 DSS H 1 'methyl protons' ppm 0 external direct cylindrical 'outside sample' parallel 1.0 NH3 N 15 nitrogen ppm 0 external indirect cylindrical 'outside sample' parallel 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details 'Chemical shifts not corrected for trosy (1HN, 15N) or deuterium-isotope shifts (13C)' loop_ _Sample_label $apo_CexCD stop_ _Sample_conditions_label $NMR_buffering_condition _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'Cex catalytic domain' _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 2 2 THR C C 174.177 0.20 1 2 2 2 THR CA C 62.648 0.20 1 3 2 2 THR CB C 69.848 0.20 1 4 3 3 THR H H 7.29 0.02 1 5 3 3 THR C C 175.366 0.20 1 6 3 3 THR CA C 58.78 0.20 1 7 3 3 THR CB C 74.175 0.20 1 8 3 3 THR N N 110.811 0.20 1 9 4 4 LEU H H 9.679 0.02 1 10 4 4 LEU C C 178.597 0.20 1 11 4 4 LEU CA C 57.062 0.20 1 12 4 4 LEU CB C 39.355 0.20 1 13 4 4 LEU N N 122.59 0.20 1 14 5 5 LYS H H 6.49 0.02 1 15 5 5 LYS C C 176.961 0.20 1 16 5 5 LYS CA C 59.296 0.20 1 17 5 5 LYS CB C 32.136 0.20 1 18 5 5 LYS N N 119.296 0.20 1 19 6 6 GLU H H 7.601 0.02 1 20 6 6 GLU C C 180.205 0.20 1 21 6 6 GLU CA C 58.457 0.20 1 22 6 6 GLU CB C 30.007 0.20 1 23 6 6 GLU CD C 183.756 0.20 1 24 6 6 GLU N N 118.913 0.20 1 25 7 7 ALA H H 7.578 0.02 1 26 7 7 ALA C C 179.072 0.20 1 27 7 7 ALA CA C 54.027 0.20 1 28 7 7 ALA CB C 18.338 0.20 1 29 7 7 ALA N N 123.268 0.20 1 30 8 8 ALA H H 8.252 0.02 1 31 8 8 ALA C C 179.777 0.20 1 32 8 8 ALA CA C 55.173 0.20 1 33 8 8 ALA CB C 17.772 0.20 1 34 8 8 ALA N N 124.191 0.20 1 35 9 9 ASP H H 8.906 0.02 1 36 9 9 ASP C C 181.387 0.20 1 37 9 9 ASP CA C 56.925 0.20 1 38 9 9 ASP CB C 39.637 0.20 1 39 9 9 ASP CG C 178.7 0.20 1 40 9 9 ASP N N 119.639 0.20 1 41 10 10 GLY H H 7.96 0.02 1 42 10 10 GLY C C 174.578 0.20 1 43 10 10 GLY CA C 46.434 0.20 1 44 10 10 GLY N N 108.622 0.20 1 45 11 11 ALA H H 7.4 0.02 1 46 11 11 ALA C C 177.661 0.20 1 47 11 11 ALA CA C 51.509 0.20 1 48 11 11 ALA CB C 19.743 0.20 1 49 11 11 ALA N N 122.936 0.20 1 50 12 12 GLY H H 7.919 0.02 1 51 12 12 GLY C C 174.803 0.20 1 52 12 12 GLY CA C 46.267 0.20 1 53 12 12 GLY N N 110.156 0.20 1 54 13 13 ARG H H 7.933 0.02 1 55 13 13 ARG C C 174.902 0.20 1 56 13 13 ARG CA C 52.432 0.20 1 57 13 13 ARG CB C 34.58 0.20 1 58 13 13 ARG N N 117.48 0.20 1 59 14 14 ASP H H 8.816 0.02 1 60 14 14 ASP C C 175.982 0.20 1 61 14 14 ASP CA C 53.341 0.20 1 62 14 14 ASP CB C 42.534 0.20 1 63 14 14 ASP CG C 177.371 0.20 1 64 14 14 ASP N N 120.237 0.20 1 65 15 15 PHE H H 10.055 0.02 1 66 15 15 PHE C C 175.02 0.20 1 67 15 15 PHE CA C 56.648 0.20 1 68 15 15 PHE CB C 41.561 0.20 1 69 15 15 PHE N N 125.185 0.20 1 70 16 16 GLY H H 9.213 0.02 1 71 16 16 GLY C C 171.476 0.20 1 72 16 16 GLY CA C 44.994 0.20 1 73 16 16 GLY N N 114.901 0.20 1 74 17 17 PHE H H 7.188 0.02 1 75 17 17 PHE C C 172.284 0.20 1 76 17 17 PHE CA C 53.624 0.20 1 77 17 17 PHE CB C 41.966 0.20 1 78 17 17 PHE N N 113.745 0.20 1 79 18 18 ALA H H 5.772 0.02 1 80 18 18 ALA C C 174.639 0.20 1 81 18 18 ALA CA C 49.024 0.20 1 82 18 18 ALA CB C 15.625 0.20 1 83 18 18 ALA N N 119.822 0.20 1 84 19 19 LEU H H 8.59 0.02 1 85 19 19 LEU C C 176.251 0.20 1 86 19 19 LEU CA C 53.855 0.20 1 87 19 19 LEU CB C 43.715 0.20 1 88 19 19 LEU N N 125.162 0.20 1 89 20 20 ASP H H 7.067 0.02 1 90 20 20 ASP C C 175.533 0.20 1 91 20 20 ASP CA C 49.972 0.20 1 92 20 20 ASP CB C 41.767 0.20 1 93 20 20 ASP N N 127.136 0.20 1 94 21 21 PRO C C 177.455 0.20 1 95 21 21 PRO CA C 63.815 0.20 1 96 21 21 PRO CB C 31.111 0.20 1 97 22 22 ASN H H 8.09 0.02 1 98 22 22 ASN C C 177.015 0.20 1 99 22 22 ASN CA C 55.134 0.20 1 100 22 22 ASN CB C 37.473 0.20 1 101 22 22 ASN CG C 176.507 0.20 1 102 22 22 ASN N N 118.232 0.20 1 103 23 23 ARG H H 7.537 0.02 1 104 23 23 ARG C C 176.255 0.20 1 105 23 23 ARG CA C 54.064 0.20 1 106 23 23 ARG CB C 25.557 0.20 1 107 23 23 ARG N N 115.102 0.20 1 108 24 24 LEU H H 6.847 0.02 1 109 24 24 LEU C C 176.171 0.20 1 110 24 24 LEU CA C 56.493 0.20 1 111 24 24 LEU CB C 40.548 0.20 1 112 24 24 LEU N N 116.4 0.20 1 113 25 25 SER H H 6.983 0.02 1 114 25 25 SER C C 173.847 0.20 1 115 25 25 SER CA C 58.625 0.20 1 116 25 25 SER CB C 62.998 0.20 1 117 25 25 SER N N 110.726 0.20 1 118 26 26 GLU H H 7.746 0.02 1 119 26 26 GLU C C 175.996 0.20 1 120 26 26 GLU CA C 55.273 0.20 1 121 26 26 GLU CB C 28.517 0.20 1 122 26 26 GLU CD C 184.39 0.20 1 123 26 26 GLU N N 126.086 0.20 1 124 27 27 ALA H H 8.744 0.02 1 125 27 27 ALA C C 180.573 0.20 1 126 27 27 ALA CA C 55.82 0.20 1 127 27 27 ALA CB C 18.065 0.20 1 128 27 27 ALA N N 131.368 0.20 1 129 28 28 GLN H H 8.891 0.02 1 130 28 28 GLN C C 177.359 0.20 1 131 28 28 GLN CA C 58.595 0.20 1 132 28 28 GLN CB C 28.325 0.20 1 133 28 28 GLN CD C 180.515 0.20 1 134 28 28 GLN N N 115.502 0.20 1 135 29 29 TYR H H 6.46 0.02 1 136 29 29 TYR C C 176.647 0.20 1 137 29 29 TYR CA C 60.912 0.20 1 138 29 29 TYR CB C 37.305 0.20 1 139 29 29 TYR N N 119.368 0.20 1 140 30 30 LYS H H 8.011 0.02 1 141 30 30 LYS C C 176.775 0.20 1 142 30 30 LYS CA C 59.044 0.20 1 143 30 30 LYS CB C 32.099 0.20 1 144 30 30 LYS N N 118.774 0.20 1 145 31 31 ALA H H 7.915 0.02 1 146 31 31 ALA C C 181.331 0.20 1 147 31 31 ALA CA C 54.724 0.20 1 148 31 31 ALA CB C 17.71 0.20 1 149 31 31 ALA N N 118.234 0.20 1 150 32 32 ILE H H 6.83 0.02 1 151 32 32 ILE C C 176.397 0.20 1 152 32 32 ILE CA C 64.471 0.20 1 153 32 32 ILE CB C 38.013 0.20 1 154 32 32 ILE N N 120.519 0.20 1 155 33 33 ALA H H 7.945 0.02 1 156 33 33 ALA C C 179.43 0.20 1 157 33 33 ALA CA C 54.549 0.20 1 158 33 33 ALA CB C 18.52 0.20 1 159 33 33 ALA N N 123.782 0.20 1 160 34 34 ASP H H 8.689 0.02 1 161 34 34 ASP C C 178.841 0.20 1 162 34 34 ASP CA C 57.053 0.20 1 163 34 34 ASP CB C 40.475 0.20 1 164 34 34 ASP CG C 178.863 0.20 1 165 34 34 ASP N N 112.454 0.20 1 166 35 35 SER H H 7.454 0.02 1 167 35 35 SER C C 176.468 0.20 1 168 35 35 SER CA C 60.131 0.20 1 169 35 35 SER CB C 66.054 0.20 1 170 35 35 SER N N 111.804 0.20 1 171 36 36 GLU H H 8.246 0.02 1 172 36 36 GLU C C 173.067 0.20 1 173 36 36 GLU CA C 58.034 0.20 1 174 36 36 GLU CB C 28.745 0.20 1 175 36 36 GLU CD C 182.515 0.20 1 176 36 36 GLU N N 117.314 0.20 1 177 37 37 PHE H H 6.413 0.02 1 178 37 37 PHE C C 176.496 0.20 1 179 37 37 PHE CA C 56.184 0.20 1 180 37 37 PHE CB C 44.243 0.20 1 181 37 37 PHE N N 109.93 0.20 1 182 38 38 ASN H H 9.415 0.02 1 183 38 38 ASN C C 174.493 0.20 1 184 38 38 ASN CA C 52.028 0.20 1 185 38 38 ASN CB C 40.036 0.20 1 186 38 38 ASN CG C 176.751 0.20 1 187 38 38 ASN N N 118.746 0.20 1 188 39 39 LEU H H 7.586 0.02 1 189 39 39 LEU C C 173.073 0.20 1 190 39 39 LEU CA C 54.524 0.20 1 191 39 39 LEU CB C 43.087 0.20 1 192 39 39 LEU N N 122.477 0.20 1 193 40 40 VAL H H 8.945 0.02 1 194 40 40 VAL C C 170.457 0.20 1 195 40 40 VAL CA C 58.995 0.20 1 196 40 40 VAL CB C 35.504 0.20 1 197 40 40 VAL N N 124.134 0.20 1 198 41 41 VAL H H 7.743 0.02 1 199 41 41 VAL C C 173.379 0.20 1 200 41 41 VAL CA C 57.832 0.20 1 201 41 41 VAL CB C 35.886 0.20 1 202 41 41 VAL N N 125.507 0.20 1 203 42 42 ALA H H 8.944 0.02 1 204 42 42 ALA C C 176.205 0.20 1 205 42 42 ALA CA C 50.977 0.20 1 206 42 42 ALA CB C 19.595 0.20 1 207 42 42 ALA N N 128.508 0.20 1 208 43 43 GLU H H 7.711 0.02 1 209 43 43 GLU C C 175.816 0.20 1 210 43 43 GLU CA C 58.835 0.20 1 211 43 43 GLU CB C 29.783 0.20 1 212 43 43 GLU N N 128.577 0.20 1 213 45 45 ALA C C 176.238 0.20 1 214 45 45 ALA CA C 54.855 0.20 1 215 45 45 ALA CB C 19.517 0.20 1 216 46 46 MET H H 9.008 0.02 1 217 46 46 MET C C 174.771 0.20 1 218 46 46 MET CA C 55.458 0.20 1 219 46 46 MET CB C 32.441 0.20 1 220 46 46 MET N N 113.486 0.20 1 221 47 47 LYS H H 7.035 0.02 1 222 47 47 LYS C C 179.394 0.20 1 223 47 47 LYS CA C 57.015 0.20 1 224 47 47 LYS CB C 35.073 0.20 1 225 47 47 LYS N N 118.476 0.20 1 226 48 48 TRP H H 10.221 0.02 1 227 48 48 TRP HE1 H 8.38 0.02 1 228 48 48 TRP C C 178.517 0.20 1 229 48 48 TRP CA C 59.985 0.20 1 230 48 48 TRP CB C 28.205 0.20 1 231 48 48 TRP N N 127.356 0.20 1 232 48 48 TRP NE1 N 125.4 0.21 1 233 49 49 ASP H H 8.725 0.02 1 234 49 49 ASP C C 176.894 0.20 1 235 49 49 ASP CA C 56.984 0.20 1 236 49 49 ASP CB C 37.7 0.20 1 237 49 49 ASP CG C 179.127 0.20 1 238 49 49 ASP N N 119.267 0.20 1 239 50 50 ALA H H 7.296 0.02 1 240 50 50 ALA C C 178.62 0.20 1 241 50 50 ALA CA C 52.95 0.20 1 242 50 50 ALA CB C 20.296 0.20 1 243 50 50 ALA N N 122.459 0.20 1 244 51 51 THR H H 7.826 0.02 1 245 51 51 THR C C 175.738 0.20 1 246 51 51 THR CA C 61.814 0.20 1 247 51 51 THR CB C 72.688 0.20 1 248 51 51 THR N N 104.603 0.20 1 249 52 52 GLU H H 8.894 0.02 1 250 52 52 GLU C C 172.886 0.20 1 251 52 52 GLU CA C 52.81 0.20 1 252 52 52 GLU CB C 31.21 0.20 1 253 52 52 GLU N N 124.103 0.20 1 254 53 53 PRO C C 177.323 0.20 1 255 53 53 PRO CA C 64.588 0.20 1 256 53 53 PRO CB C 31.841 0.20 1 257 54 54 SER H H 7.298 0.02 1 258 54 54 SER C C 171.753 0.20 1 259 54 54 SER CA C 56.262 0.20 1 260 54 54 SER CB C 64.802 0.20 1 261 54 54 SER N N 112.531 0.20 1 262 55 55 GLN H H 7.311 0.02 1 263 55 55 GLN C C 177.084 0.20 1 264 55 55 GLN CA C 57.759 0.20 1 265 55 55 GLN CB C 25.997 0.20 1 266 55 55 GLN CD C 179.108 0.20 1 267 55 55 GLN N N 123.708 0.20 1 268 56 56 ASN H H 10.605 0.02 1 269 56 56 ASN C C 173.83 0.20 1 270 56 56 ASN CA C 53.818 0.20 1 271 56 56 ASN CB C 38.488 0.20 1 272 56 56 ASN CG C 178.476 0.20 1 273 56 56 ASN N N 127.311 0.20 1 274 57 57 SER H H 7.356 0.02 1 275 57 57 SER C C 172.552 0.20 1 276 57 57 SER CA C 56.031 0.20 1 277 57 57 SER CB C 63.169 0.20 1 278 57 57 SER N N 117.335 0.20 1 279 58 58 PHE H H 8.101 0.02 1 280 58 58 PHE C C 176.817 0.20 1 281 58 58 PHE CA C 56.84 0.20 1 282 58 58 PHE CB C 40.594 0.20 1 283 58 58 PHE N N 122.755 0.20 1 284 59 59 SER H H 8.559 0.02 1 285 59 59 SER C C 174.558 0.20 1 286 59 59 SER CA C 55.05 0.20 1 287 59 59 SER CB C 64.143 0.20 1 288 59 59 SER N N 119.5 0.20 1 289 60 60 PHE H H 8.715 0.02 1 290 60 60 PHE C C 175.576 0.20 1 291 60 60 PHE CA C 57.013 0.20 1 292 60 60 PHE CB C 39.456 0.20 1 293 60 60 PHE N N 122.356 0.20 1 294 61 61 GLY H H 8.605 0.02 1 295 61 61 GLY C C 176.448 0.20 1 296 61 61 GLY CA C 48.192 0.20 1 297 61 61 GLY N N 110.059 0.20 1 298 62 62 ALA H H 8.735 0.02 1 299 62 62 ALA C C 180.258 0.20 1 300 62 62 ALA CA C 55.384 0.20 1 301 62 62 ALA CB C 17.777 0.20 1 302 62 62 ALA N N 125.283 0.20 1 303 63 63 GLY H H 9.103 0.02 1 304 63 63 GLY C C 175.79 0.20 1 305 63 63 GLY CA C 47.41 0.20 1 306 63 63 GLY N N 109.301 0.20 1 307 64 64 ASP H H 9.918 0.02 1 308 64 64 ASP C C 179.542 0.20 1 309 64 64 ASP CA C 57.382 0.20 1 310 64 64 ASP CB C 39.127 0.20 1 311 64 64 ASP CG C 179.616 0.20 1 312 64 64 ASP N N 124.719 0.20 1 313 65 65 ARG H H 7.894 0.02 1 314 65 65 ARG C C 180.026 0.20 1 315 65 65 ARG CA C 59.206 0.20 1 316 65 65 ARG CB C 29.53 0.20 1 317 65 65 ARG N N 122.156 0.20 1 318 66 66 VAL H H 7.509 0.02 1 319 66 66 VAL C C 176.73 0.20 1 320 66 66 VAL CA C 66.359 0.20 1 321 66 66 VAL CB C 30.213 0.20 1 322 66 66 VAL N N 121.145 0.20 1 323 67 67 ALA H H 8.436 0.02 1 324 67 67 ALA C C 180.435 0.20 1 325 67 67 ALA CA C 55.087 0.20 1 326 67 67 ALA CB C 17.596 0.20 1 327 67 67 ALA N N 121.976 0.20 1 328 68 68 SER H H 8.958 0.02 1 329 68 68 SER C C 175.343 0.20 1 330 68 68 SER CA C 61.674 0.20 1 331 68 68 SER CB C 62.788 0.20 1 332 68 68 SER N N 117.187 0.20 1 333 69 69 TYR H H 7.629 0.02 1 334 69 69 TYR C C 178.358 0.20 1 335 69 69 TYR CA C 61.9 0.20 1 336 69 69 TYR CB C 37.535 0.20 1 337 69 69 TYR N N 123.339 0.20 1 338 70 70 ALA H H 7.94 0.02 1 339 70 70 ALA C C 178.437 0.20 1 340 70 70 ALA CA C 55.224 0.20 1 341 70 70 ALA CB C 17.282 0.20 1 342 70 70 ALA N N 122.751 0.20 1 343 71 71 ALA H H 7.87 0.02 1 344 71 71 ALA C C 181.249 0.20 1 345 71 71 ALA CA C 54.491 0.20 1 346 71 71 ALA CB C 17.877 0.20 1 347 71 71 ALA N N 119.577 0.20 1 348 72 72 ASP H H 8.635 0.02 1 349 72 72 ASP C C 178.306 0.20 1 350 72 72 ASP CA C 56.62 0.20 1 351 72 72 ASP CB C 40.676 0.20 1 352 72 72 ASP CG C 179.117 0.20 1 353 72 72 ASP N N 119.178 0.20 1 354 73 73 THR H H 7.287 0.02 1 355 73 73 THR C C 175.591 0.20 1 356 73 73 THR CA C 60.894 0.20 1 357 73 73 THR CB C 69.707 0.20 1 358 73 73 THR N N 105.422 0.20 1 359 74 74 GLY H H 7.576 0.02 1 360 74 74 GLY C C 175.12 0.20 1 361 74 74 GLY CA C 46.855 0.20 1 362 74 74 GLY N N 113.852 0.20 1 363 75 75 LYS H H 8.414 0.02 1 364 75 75 LYS C C 175.976 0.20 1 365 75 75 LYS CA C 55.026 0.20 1 366 75 75 LYS CB C 36.023 0.20 1 367 75 75 LYS N N 120.629 0.20 1 368 76 76 GLU H H 7.733 0.02 1 369 76 76 GLU C C 174.288 0.20 1 370 76 76 GLU CA C 56.052 0.20 1 371 76 76 GLU CB C 30.79 0.20 1 372 76 76 GLU CD C 183.332 0.20 1 373 76 76 GLU N N 121.805 0.20 1 374 77 77 LEU H H 8.73 0.02 1 375 77 77 LEU C C 173.993 0.20 1 376 77 77 LEU CA C 53.06 0.20 1 377 77 77 LEU CB C 43.09 0.20 1 378 77 77 LEU N N 124.949 0.20 1 379 78 78 TYR H H 8.914 0.02 1 380 78 78 TYR C C 175.075 0.20 1 381 78 78 TYR CA C 56.178 0.20 1 382 78 78 TYR CB C 41.792 0.20 1 383 78 78 TYR N N 131.863 0.20 1 384 79 79 GLY H H 8.626 0.02 1 385 79 79 GLY C C 170.194 0.20 1 386 79 79 GLY CA C 45.052 0.20 1 387 79 79 GLY N N 117.615 0.20 1 388 80 80 HIS H H 8.071 0.02 1 389 80 80 HIS HD2 H 7.07 0.02 1 390 80 80 HIS HE1 H 7.42 0.02 1 391 80 80 HIS C C 172.862 0.20 1 392 80 80 HIS CA C 51.423 0.20 1 393 80 80 HIS CB C 32.137 0.20 1 394 80 80 HIS CD2 C 120.2 0.20 1 395 80 80 HIS CE1 C 137.9 0.20 1 396 80 80 HIS N N 129.492 0.20 1 397 80 80 HIS ND1 N 202.5 0.20 4 398 80 80 HIS NE2 N 182.4 0.20 4 399 81 81 THR H H 6.449 0.02 1 400 81 81 THR C C 171.947 0.20 1 401 81 81 THR CA C 60.447 0.20 1 402 81 81 THR CB C 70.868 0.20 1 403 81 81 THR N N 120.082 0.20 1 404 82 82 LEU H H 7.783 0.02 1 405 82 82 LEU C C 173.814 0.20 1 406 82 82 LEU CA C 58.609 0.20 1 407 82 82 LEU CB C 40.704 0.20 1 408 82 82 LEU N N 128.823 0.20 1 409 83 83 VAL H H 7.585 0.02 1 410 83 83 VAL C C 172.812 0.20 1 411 83 83 VAL CA C 63.589 0.20 1 412 83 83 VAL CB C 32.355 0.20 1 413 83 83 VAL N N 116.19 0.20 1 414 84 84 TRP H H 6.638 0.02 1 415 84 84 TRP HE1 H 10.87 0.02 1 416 84 84 TRP C C 175.146 0.20 1 417 84 84 TRP CA C 53.581 0.20 1 418 84 84 TRP N N 124.341 0.20 1 419 84 84 TRP NE1 N 135.43 0.20 1 420 85 85 HIS HD2 H 6.91 0.02 1 421 85 85 HIS HE1 H 8.52 0.02 1 422 85 85 HIS HE2 H 11.83 0.02 1 423 85 85 HIS CD2 C 118.4 0.20 1 424 85 85 HIS CE1 C 139.2 0.20 1 425 85 85 HIS ND1 N 247.6 0.20 1 426 85 85 HIS NE2 N 167.7 0.20 1 427 89 89 PRO C C 176.334 0.20 1 428 89 89 PRO CA C 62.101 0.20 1 429 89 89 PRO CB C 32.836 0.20 1 430 90 90 ASP H H 8.577 0.02 1 431 90 90 ASP C C 178.315 0.20 1 432 90 90 ASP CA C 57.521 0.20 1 433 90 90 ASP CB C 39.803 0.20 1 434 90 90 ASP CG C 179.489 0.20 1 435 90 90 ASP N N 122.944 0.20 1 436 91 91 TRP H H 8.21 0.02 1 437 91 91 TRP HE1 H 9.541 0.02 1 438 91 91 TRP C C 177.98 0.20 1 439 91 91 TRP CA C 58.611 0.20 1 440 91 91 TRP CB C 27.26 0.20 1 441 91 91 TRP N N 115.832 0.20 1 442 91 91 TRP NE1 N 128.3 0.21 1 443 92 92 ALA H H 5.874 0.02 1 444 92 92 ALA C C 178.064 0.20 1 445 92 92 ALA CA C 53.81 0.20 1 446 92 92 ALA CB C 15.767 0.20 1 447 92 92 ALA N N 124.755 0.20 1 448 93 93 LYS H H 6.706 0.02 1 449 93 93 LYS C C 176.805 0.20 1 450 93 93 LYS CA C 58.715 0.20 1 451 93 93 LYS CB C 31.634 0.20 1 452 93 93 LYS N N 115.304 0.20 1 453 94 94 ASN H H 7.083 0.02 1 454 94 94 ASN C C 175.277 0.20 1 455 94 94 ASN CA C 52.955 0.20 1 456 94 94 ASN CB C 39.048 0.20 1 457 94 94 ASN CG C 176.738 0.20 1 458 94 94 ASN N N 113.744 0.20 1 459 95 95 LEU H H 7 0.02 1 460 95 95 LEU C C 175.507 0.20 1 461 95 95 LEU CA C 53.939 0.20 1 462 95 95 LEU CB C 43.543 0.20 1 463 95 95 LEU N N 120.435 0.20 1 464 96 96 ASN H H 8.575 0.02 1 465 96 96 ASN C C 175.745 0.20 1 466 96 96 ASN CA C 51.814 0.20 1 467 96 96 ASN CB C 42.73 0.20 1 468 96 96 ASN CG C 176.768 0.20 1 469 96 96 ASN N N 118.031 0.20 1 470 97 97 GLY H H 8.857 0.02 1 471 97 97 GLY C C 175.067 0.20 1 472 97 97 GLY CA C 46.862 0.20 1 473 97 97 GLY N N 108.808 0.20 1 474 98 98 SER C C 176.832 0.20 1 475 98 98 SER CA C 61.041 0.20 1 476 98 98 SER CB C 62.585 0.20 1 477 99 99 ALA H H 8.29 0.02 1 478 99 99 ALA C C 180.757 0.20 1 479 99 99 ALA CA C 54.763 0.20 1 480 99 99 ALA CB C 18.205 0.20 1 481 99 99 ALA N N 125.865 0.20 1 482 100 100 PHE H H 7.514 0.02 1 483 100 100 PHE C C 176.848 0.20 1 484 100 100 PHE CA C 60.442 0.20 1 485 100 100 PHE CB C 37.553 0.20 1 486 100 100 PHE N N 121.812 0.20 1 487 101 101 GLU H H 8.431 0.02 1 488 101 101 GLU C C 178.405 0.20 1 489 101 101 GLU CA C 60.501 0.20 1 490 101 101 GLU CB C 29.755 0.20 1 491 101 101 GLU CD C 182.813 0.20 1 492 101 101 GLU N N 121.552 0.20 1 493 102 102 SER H H 8.754 0.02 1 494 102 102 SER C C 177.197 0.20 1 495 102 102 SER CA C 61.445 0.20 1 496 102 102 SER CB C 62.704 0.20 1 497 102 102 SER N N 113.952 0.20 1 498 103 103 ALA H H 7.879 0.02 1 499 103 103 ALA C C 180.655 0.20 1 500 103 103 ALA CA C 54.778 0.20 1 501 103 103 ALA CB C 18.07 0.20 1 502 103 103 ALA N N 124.885 0.20 1 503 104 104 MET H H 8.295 0.02 1 504 104 104 MET C C 177.556 0.20 1 505 104 104 MET CA C 59.47 0.20 1 506 104 104 MET CB C 31.997 0.20 1 507 104 104 MET N N 120.881 0.20 1 508 105 105 VAL H H 8.731 0.02 1 509 105 105 VAL C C 179.22 0.20 1 510 105 105 VAL CA C 67.598 0.20 1 511 105 105 VAL CB C 31.324 0.20 1 512 105 105 VAL N N 120.806 0.20 1 513 106 106 ASN H H 8.952 0.02 1 514 106 106 ASN C C 175.619 0.20 1 515 106 106 ASN CA C 57.002 0.20 1 516 106 106 ASN CB C 39.196 0.20 1 517 106 106 ASN CG C 176.092 0.20 1 518 106 106 ASN N N 121.624 0.20 1 519 107 107 HIS H H 8.34 0.02 1 520 107 107 HIS HD1 H 16.74 0.02 1 521 107 107 HIS HD2 H 6.28 0.02 1 522 107 107 HIS HE1 H 8.27 0.02 1 523 107 107 HIS HE2 H 13.52 0.02 1 524 107 107 HIS C C 175.732 0.20 1 525 107 107 HIS CA C 60.97 0.20 1 526 107 107 HIS CB C 28.493 0.20 1 527 107 107 HIS CD2 C 118.6 0.20 1 528 107 107 HIS CE1 C 135.8 0.20 1 529 107 107 HIS N N 118.617 0.20 1 530 107 107 HIS ND1 N 184.8 0.20 1 531 107 107 HIS NE2 N 170.7 0.20 1 532 108 108 VAL H H 8.133 0.02 1 533 108 108 VAL C C 176.075 0.20 1 534 108 108 VAL CA C 66.224 0.20 1 535 108 108 VAL CB C 31.502 0.20 1 536 108 108 VAL N N 116.36 0.20 1 537 109 109 THR H H 8.093 0.02 1 538 109 109 THR C C 175.344 0.20 1 539 109 109 THR CA C 66.245 0.20 1 540 109 109 THR CB C 68.984 0.20 1 541 109 109 THR N N 112.657 0.20 1 542 110 110 LYS H H 8.223 0.02 1 543 110 110 LYS C C 180.769 0.20 1 544 110 110 LYS CA C 58.214 0.20 1 545 110 110 LYS CB C 30.908 0.20 1 546 110 110 LYS N N 118.685 0.20 1 547 111 111 VAL H H 7.727 0.02 1 548 111 111 VAL C C 177.143 0.20 1 549 111 111 VAL CA C 66.806 0.20 1 550 111 111 VAL N N 120.011 0.20 1 551 112 112 ALA H H 7.752 0.02 1 552 112 112 ALA C C 180.901 0.20 1 553 112 112 ALA CA C 54.978 0.20 1 554 112 112 ALA CB C 16.344 0.20 1 555 112 112 ALA N N 120.612 0.20 1 556 113 113 ASP H H 8.591 0.02 1 557 113 113 ASP C C 178.27 0.20 1 558 113 113 ASP CA C 57.249 0.20 1 559 113 113 ASP CB C 42.571 0.20 1 560 113 113 ASP CG C 179.178 0.20 1 561 113 113 ASP N N 116.968 0.20 1 562 114 114 HIS H H 7.415 0.02 1 563 114 114 HIS HD2 H 3.79 0.02 1 564 114 114 HIS HE1 H 8.28 0.02 1 565 114 114 HIS C C 176.311 0.20 1 566 114 114 HIS CA C 59.292 0.20 1 567 114 114 HIS CB C 27.947 0.20 1 568 114 114 HIS CE1 C 135.7 0.20 1 569 114 114 HIS N N 116.375 0.20 1 570 114 114 HIS ND1 N 181.7 0.20 4 571 114 114 HIS NE2 N 177.4 0.20 4 572 115 115 PHE H H 7.144 0.02 1 573 115 115 PHE C C 173.2 0.20 1 574 115 115 PHE CA C 58.269 0.20 1 575 115 115 PHE CB C 39.862 0.20 1 576 115 115 PHE N N 112.449 0.20 1 577 116 116 GLU H H 7.206 0.02 1 578 116 116 GLU C C 177.48 0.20 1 579 116 116 GLU CA C 58.45 0.20 1 580 116 116 GLU CB C 27.995 0.20 1 581 116 116 GLU CD C 182.394 0.20 1 582 116 116 GLU N N 126.166 0.20 1 583 117 117 GLY H H 9.694 0.02 1 584 117 117 GLY C C 174.25 0.20 1 585 117 117 GLY CA C 45.096 0.20 1 586 117 117 GLY N N 118.603 0.20 1 587 118 118 LYS H H 8.235 0.02 1 588 118 118 LYS C C 176.362 0.20 1 589 118 118 LYS CA C 56.823 0.20 1 590 118 118 LYS CB C 33.074 0.20 1 591 118 118 LYS N N 119.347 0.20 1 592 119 119 VAL H H 7.336 0.02 1 593 119 119 VAL C C 174.687 0.20 1 594 119 119 VAL CA C 61.507 0.20 1 595 119 119 VAL CB C 31.978 0.20 1 596 119 119 VAL N N 117.902 0.20 1 597 120 120 ALA H H 8.286 0.02 1 598 120 120 ALA C C 178.667 0.20 1 599 120 120 ALA CA C 53.187 0.20 1 600 120 120 ALA CB C 19.779 0.20 1 601 120 120 ALA N N 128.858 0.20 1 602 121 121 SER H H 6.574 0.02 1 603 121 121 SER C C 171.047 0.20 1 604 121 121 SER CA C 55.917 0.20 1 605 121 121 SER CB C 66.947 0.20 1 606 121 121 SER N N 111.272 0.20 1 607 122 122 TRP H H 8.924 0.02 1 608 122 122 TRP HE1 H 12.14 0.02 1 609 122 122 TRP C C 175.839 0.20 1 610 122 122 TRP CA C 55.558 0.20 1 611 122 122 TRP CB C 34.934 0.20 1 612 122 122 TRP N N 121.684 0.20 1 613 122 122 TRP NE1 N 134.73 0.21 1 614 123 123 ASP H H 8.77 0.02 1 615 123 123 ASP C C 176.333 0.20 1 616 123 123 ASP CA C 53.516 0.20 1 617 123 123 ASP CB C 40.356 0.20 1 618 123 123 ASP CG C 182.763 0.20 1 619 123 123 ASP N N 120.185 0.20 1 620 124 124 VAL H H 9.489 0.02 1 621 124 124 VAL C C 174.344 0.20 1 622 124 124 VAL CA C 65.405 0.20 1 623 124 124 VAL CB C 30.462 0.20 1 624 124 124 VAL N N 132.518 0.20 1 625 125 125 VAL H H 6.458 0.02 1 626 125 125 VAL C C 172.172 0.20 1 627 125 125 VAL CA C 60.348 0.20 1 628 125 125 VAL CB C 35.248 0.20 1 629 125 125 VAL N N 112.528 0.20 1 630 126 126 ASN H H 8.29 0.02 1 631 126 126 ASN C C 173.947 0.20 1 632 126 126 ASN CA C 50.273 0.20 1 633 126 126 ASN CB C 42.403 0.20 1 634 126 126 ASN N N 126.954 0.20 1 635 127 127 GLU H H 8.799 0.02 1 636 127 127 GLU C C 174.39 0.20 1 637 127 127 GLU CA C 56.882 0.20 1 638 127 127 GLU CB C 26.566 0.20 1 639 127 127 GLU CD C 176.643 0.20 1 640 127 127 GLU N N 120.983 0.20 1 641 128 128 ALA H H 8.898 0.02 1 642 128 128 ALA C C 179.467 0.20 1 643 128 128 ALA CA C 52.873 0.20 1 644 128 128 ALA CB C 19.788 0.20 1 645 128 128 ALA N N 118.107 0.20 1 646 129 129 PHE H H 7.961 0.02 1 647 129 129 PHE C C 173.654 0.20 1 648 129 129 PHE CA C 59.082 0.20 1 649 129 129 PHE CB C 40.349 0.20 1 650 129 129 PHE N N 117.46 0.20 1 651 130 130 ALA H H 8.625 0.02 1 652 130 130 ALA C C 178.542 0.20 1 653 130 130 ALA CA C 49.87 0.20 1 654 130 130 ALA CB C 20.316 0.20 1 655 130 130 ALA N N 124.004 0.20 1 656 132 132 GLY C C 174.728 0.20 1 657 132 132 GLY CA C 44.708 0.20 1 658 133 133 GLY H H 7.926 0.02 1 659 133 133 GLY C C 173.513 0.20 1 660 133 133 GLY CA C 43.557 0.20 1 661 133 133 GLY N N 108.886 0.20 1 662 134 134 GLY H H 8.284 0.02 1 663 134 134 GLY C C 173.658 0.20 1 664 134 134 GLY CA C 43.956 0.20 1 665 134 134 GLY N N 106.739 0.20 1 666 135 135 ARG H H 8.672 0.02 1 667 135 135 ARG C C 177.125 0.20 1 668 135 135 ARG CA C 53.504 0.20 1 669 135 135 ARG CB C 30.372 0.20 1 670 135 135 ARG N N 116.48 0.20 1 671 136 136 ARG H H 8.077 0.02 1 672 136 136 ARG C C 175.583 0.20 1 673 136 136 ARG CA C 57.116 0.20 1 674 136 136 ARG CB C 29.346 0.20 1 675 136 136 ARG N N 122.883 0.20 1 676 137 137 GLN H H 8.625 0.02 1 677 137 137 GLN C C 177.11 0.20 1 678 137 137 GLN CA C 56.102 0.20 1 679 137 137 GLN CB C 28.589 0.20 1 680 137 137 GLN CD C 180.325 0.20 1 681 137 137 GLN N N 124.166 0.20 1 682 138 138 ASP H H 8.18 0.02 1 683 138 138 ASP C C 174.701 0.20 1 684 138 138 ASP CA C 52.283 0.20 1 685 138 138 ASP CB C 38.291 0.20 1 686 138 138 ASP CG C 180.639 0.20 1 687 138 138 ASP N N 118.655 0.20 1 688 139 139 SER H H 6.491 0.02 1 689 139 139 SER C C 175.267 0.20 1 690 139 139 SER CA C 54.145 0.20 1 691 139 139 SER CB C 63.639 0.20 1 692 139 139 SER N N 111.884 0.20 1 693 140 140 ALA H H 8.95 0.02 1 694 140 140 ALA C C 178.236 0.20 1 695 140 140 ALA CA C 54.534 0.20 1 696 140 140 ALA CB C 17.764 0.20 1 697 140 140 ALA N N 132.312 0.20 1 698 141 141 PHE H H 6.959 0.02 1 699 141 141 PHE C C 176.122 0.20 1 700 141 141 PHE CA C 61.162 0.20 1 701 141 141 PHE CB C 36.713 0.20 1 702 141 141 PHE N N 113.491 0.20 1 703 142 142 GLN H H 6.811 0.02 1 704 142 142 GLN C C 179.082 0.20 1 705 142 142 GLN CA C 57.268 0.20 1 706 142 142 GLN CB C 29.332 0.20 1 707 142 142 GLN CD C 180.101 0.20 1 708 142 142 GLN N N 119.828 0.20 1 709 143 143 GLN H H 8.329 0.02 1 710 143 143 GLN C C 178.534 0.20 1 711 143 143 GLN CA C 58.388 0.20 1 712 143 143 GLN CB C 28.373 0.20 1 713 143 143 GLN CD C 180.079 0.20 1 714 143 143 GLN N N 116.559 0.20 1 715 144 144 LYS H H 7.797 0.02 1 716 144 144 LYS C C 178.444 0.20 1 717 144 144 LYS CA C 58.419 0.20 1 718 144 144 LYS CB C 34.105 0.20 1 719 144 144 LYS N N 114.843 0.20 1 720 145 145 LEU H H 7.831 0.02 1 721 145 145 LEU C C 178.067 0.20 1 722 145 145 LEU CA C 53.829 0.20 1 723 145 145 LEU CB C 42.568 0.20 1 724 145 145 LEU N N 114.952 0.20 1 725 146 146 GLY H H 7.582 0.02 1 726 146 146 GLY C C 173.578 0.20 1 727 146 146 GLY CA C 44.517 0.20 1 728 146 146 GLY N N 109.863 0.20 1 729 147 147 ASN H H 8.716 0.02 1 730 147 147 ASN C C 180.537 0.20 1 731 147 147 ASN CA C 54.716 0.20 1 732 147 147 ASN CB C 38.12 0.20 1 733 147 147 ASN N N 115.454 0.20 1 734 148 148 GLY C C 174.8 0.20 1 735 148 148 GLY CA C 46.554 0.20 1 736 149 149 TYR H H 7.128 0.02 1 737 149 149 TYR C C 175.375 0.20 1 738 149 149 TYR CA C 60.03 0.20 1 739 149 149 TYR CB C 38.648 0.20 1 740 149 149 TYR N N 117.536 0.20 1 741 150 150 ILE H H 5.871 0.02 1 742 150 150 ILE C C 177.264 0.20 1 743 150 150 ILE CA C 65.495 0.20 1 744 150 150 ILE CB C 36.262 0.20 1 745 150 150 ILE N N 120.247 0.20 1 746 151 151 GLU H H 8.721 0.02 1 747 151 151 GLU C C 177.734 0.20 1 748 151 151 GLU CA C 59.834 0.20 1 749 151 151 GLU CB C 27.934 0.20 1 750 151 151 GLU CD C 182.453 0.20 1 751 151 151 GLU N N 122.831 0.20 1 752 152 152 THR H H 7.805 0.02 1 753 152 152 THR C C 176.684 0.20 1 754 152 152 THR CA C 65.998 0.20 1 755 152 152 THR CB C 67.779 0.20 1 756 152 152 THR N N 116.426 0.20 1 757 153 153 ALA H H 8.379 0.02 1 758 153 153 ALA C C 178.698 0.20 1 759 153 153 ALA CA C 55.969 0.20 1 760 153 153 ALA CB C 17.577 0.20 1 761 153 153 ALA N N 124.412 0.20 1 762 154 154 PHE H H 8.341 0.02 1 763 154 154 PHE C C 178.33 0.20 1 764 154 154 PHE CA C 64.001 0.20 1 765 154 154 PHE CB C 38.479 0.20 1 766 154 154 PHE N N 117.1 0.20 1 767 155 155 ARG H H 8.485 0.02 1 768 155 155 ARG C C 179.581 0.20 1 769 155 155 ARG CA C 60.416 0.20 1 770 155 155 ARG CB C 28.723 0.20 1 771 155 155 ARG N N 117.009 0.20 1 772 156 156 ALA H H 8.07 0.02 1 773 156 156 ALA C C 179.718 0.20 1 774 156 156 ALA CA C 54.112 0.20 1 775 156 156 ALA CB C 17.415 0.20 1 776 156 156 ALA N N 122.299 0.20 1 777 157 157 ALA H H 8.181 0.02 1 778 157 157 ALA C C 177.529 0.20 1 779 157 157 ALA CA C 55.084 0.20 1 780 157 157 ALA CB C 17.953 0.20 1 781 157 157 ALA N N 123.303 0.20 1 782 158 158 ARG H H 7.81 0.02 1 783 158 158 ARG C C 177.165 0.20 1 784 158 158 ARG CA C 55.924 0.20 1 785 158 158 ARG CB C 27.437 0.20 1 786 158 158 ARG N N 117.09 0.20 1 787 159 159 ALA H H 7.316 0.02 1 788 159 159 ALA C C 178.347 0.20 1 789 159 159 ALA CA C 53.581 0.20 1 790 159 159 ALA CB C 17.558 0.20 1 791 159 159 ALA N N 119.209 0.20 1 792 160 160 ALA H H 7.108 0.02 1 793 160 160 ALA C C 176.787 0.20 1 794 160 160 ALA CA C 52.752 0.20 1 795 160 160 ALA CB C 21.049 0.20 1 796 160 160 ALA N N 119.267 0.20 1 797 161 161 ASP H H 7.76 0.02 1 798 161 161 ASP C C 173.701 0.20 1 799 161 161 ASP CA C 50.57 0.20 1 800 161 161 ASP CB C 41.124 0.20 1 801 161 161 ASP N N 114.666 0.20 1 802 162 162 PRO C C 177.391 0.20 1 803 162 162 PRO CA C 63.676 0.20 1 804 162 162 PRO CB C 32.587 0.20 1 805 163 163 THR H H 8.24 0.02 1 806 163 163 THR C C 175.271 0.20 1 807 163 163 THR CA C 62.247 0.20 1 808 163 163 THR CB C 70.049 0.20 1 809 163 163 THR N N 110.534 0.20 1 810 164 164 ALA H H 7.581 0.02 1 811 164 164 ALA C C 177.97 0.20 1 812 164 164 ALA CA C 52.075 0.20 1 813 164 164 ALA CB C 18.261 0.20 1 814 164 164 ALA N N 126.886 0.20 1 815 165 165 LYS H H 8.465 0.02 1 816 165 165 LYS C C 176.437 0.20 1 817 165 165 LYS CA C 54.938 0.20 1 818 165 165 LYS CB C 31.054 0.20 1 819 165 165 LYS N N 122.497 0.20 1 820 166 166 LEU H H 10.413 0.02 1 821 166 166 LEU C C 175.786 0.20 1 822 166 166 LEU CA C 54.129 0.20 1 823 166 166 LEU CB C 40.546 0.20 1 824 166 166 LEU N N 125.21 0.20 1 825 167 167 CYS H H 10.021 0.02 1 826 167 167 CYS C C 175.503 0.20 1 827 167 167 CYS CA C 52.014 0.20 1 828 167 167 CYS CB C 39.43 0.20 1 829 167 167 CYS N N 123.229 0.20 1 830 168 168 ILE H H 8.044 0.02 1 831 168 168 ILE C C 171.49 0.20 1 832 168 168 ILE CA C 58.55 0.20 1 833 168 168 ILE CB C 41.821 0.20 1 834 168 168 ILE N N 121.948 0.20 1 835 169 169 ASN H H 8.069 0.02 1 836 169 169 ASN C C 175.462 0.20 1 837 169 169 ASN CA C 51.744 0.20 1 838 169 169 ASN CB C 43.159 0.20 1 839 169 169 ASN N N 126.572 0.20 1 840 170 170 ASP H H 8.316 0.02 1 841 170 170 ASP C C 171.707 0.20 1 842 170 170 ASP CA C 53.74 0.20 1 843 170 170 ASP CB C 46.265 0.20 1 844 170 170 ASP CG C 180.716 0.20 1 845 170 170 ASP N N 126.803 0.20 1 846 171 171 TYR H H 10.125 0.02 1 847 171 171 TYR C C 176.532 0.20 1 848 171 171 TYR CA C 54.729 0.20 1 849 171 171 TYR CB C 40.264 0.20 1 850 171 171 TYR N N 117.188 0.20 1 851 172 172 ASN H H 9.278 0.02 1 852 172 172 ASN C C 173.864 0.20 1 853 172 172 ASN CA C 54.092 0.20 1 854 172 172 ASN CB C 36.215 0.20 1 855 172 172 ASN CG C 178.322 0.20 1 856 172 172 ASN N N 121.805 0.20 1 857 173 173 VAL H H 6.608 0.02 1 858 173 173 VAL C C 172.861 0.20 1 859 173 173 VAL CA C 58.971 0.20 1 860 173 173 VAL CB C 31.011 0.20 1 861 173 173 VAL N N 103.931 0.20 1 862 174 174 GLU H H 7.988 0.02 1 863 174 174 GLU C C 176.865 0.20 1 864 174 174 GLU CA C 61.741 0.20 1 865 174 174 GLU CB C 27.244 0.20 1 866 174 174 GLU CD C 183.88 0.20 1 867 174 174 GLU N N 120.776 0.20 1 868 175 175 GLY H H 7.421 0.02 1 869 175 175 GLY C C 173.095 0.20 1 870 175 175 GLY CA C 42.512 0.20 1 871 175 175 GLY N N 103.202 0.20 1 872 176 176 ILE H H 8.134 0.02 1 873 176 176 ILE C C 174.51 0.20 1 874 176 176 ILE CA C 63.093 0.20 1 875 176 176 ILE CB C 34.784 0.20 1 876 176 176 ILE N N 119.892 0.20 1 877 177 177 ASN H H 7.876 0.02 1 878 177 177 ASN C C 173.678 0.20 1 879 177 177 ASN CA C 51.584 0.20 1 880 177 177 ASN CB C 38.59 0.20 1 881 177 177 ASN N N 127.308 0.20 1 882 178 178 ALA C C 179.601 0.20 1 883 178 178 ALA CA C 55.339 0.20 1 884 178 178 ALA CB C 18.157 0.20 1 885 179 179 LYS H H 8.188 0.02 1 886 179 179 LYS C C 178.462 0.20 1 887 179 179 LYS CA C 60.54 0.20 1 888 179 179 LYS CB C 33.279 0.20 1 889 179 179 LYS N N 121.948 0.20 1 890 180 180 SER H H 9.493 0.02 1 891 180 180 SER C C 177.437 0.20 1 892 180 180 SER CA C 60.773 0.20 1 893 180 180 SER CB C 63.052 0.20 1 894 180 180 SER N N 116.225 0.20 1 895 181 181 ASN H H 8.998 0.02 1 896 181 181 ASN C C 177.858 0.20 1 897 181 181 ASN CA C 55.525 0.20 1 898 181 181 ASN CB C 36.264 0.20 1 899 181 181 ASN CG C 175.835 0.20 1 900 181 181 ASN N N 123.699 0.20 1 901 182 182 SER H H 7.827 0.02 1 902 182 182 SER C C 175.902 0.20 1 903 182 182 SER CA C 62.671 0.20 1 904 182 182 SER CB C 63.398 0.20 1 905 182 182 SER N N 119.84 0.20 1 906 183 183 LEU H H 7.368 0.02 1 907 183 183 LEU C C 176.633 0.20 1 908 183 183 LEU CA C 57.537 0.20 1 909 183 183 LEU CB C 41.186 0.20 1 910 183 183 LEU N N 126.383 0.20 1 911 184 184 TYR H H 8.916 0.02 1 912 184 184 TYR C C 176.067 0.20 1 913 184 184 TYR CA C 61.785 0.20 1 914 184 184 TYR CB C 37.458 0.20 1 915 184 184 TYR N N 122.288 0.20 1 916 185 185 ASP H H 7.955 0.02 1 917 185 185 ASP C C 179.248 0.20 1 918 185 185 ASP CA C 56.995 0.20 1 919 185 185 ASP CB C 40.123 0.20 1 920 185 185 ASP CG C 177.254 0.20 1 921 185 185 ASP N N 118.735 0.20 1 922 186 186 LEU H H 7.307 0.02 1 923 186 186 LEU C C 177.522 0.20 1 924 186 186 LEU CA C 58.27 0.20 1 925 186 186 LEU CB C 40.727 0.20 1 926 186 186 LEU N N 122.723 0.20 1 927 187 187 VAL H H 8.183 0.02 1 928 187 187 VAL C C 177.183 0.20 1 929 187 187 VAL CA C 66.674 0.20 1 930 187 187 VAL CB C 30.24 0.20 1 931 187 187 VAL N N 121.223 0.20 1 932 188 188 LYS H H 8.447 0.02 1 933 188 188 LYS C C 178.916 0.20 1 934 188 188 LYS CA C 59.91 0.20 1 935 188 188 LYS CB C 31.991 0.20 1 936 188 188 LYS N N 119.673 0.20 1 937 189 189 ASP H H 7.631 0.02 1 938 189 189 ASP C C 176.959 0.20 1 939 189 189 ASP CA C 57.001 0.20 1 940 189 189 ASP CB C 42.266 0.20 1 941 189 189 ASP CG C 180.229 0.20 1 942 189 189 ASP N N 120.33 0.20 1 943 190 190 PHE H H 9.185 0.02 1 944 190 190 PHE C C 179.443 0.20 1 945 190 190 PHE CA C 59.538 0.20 1 946 190 190 PHE CB C 36.876 0.20 1 947 190 190 PHE N N 120.989 0.20 1 948 191 191 LYS H H 8.641 0.02 1 949 191 191 LYS C C 180.161 0.20 1 950 191 191 LYS CA C 56.067 0.20 1 951 191 191 LYS CB C 28.495 0.20 1 952 191 191 LYS N N 116.569 0.20 1 953 192 192 ALA H H 8.072 0.02 1 954 192 192 ALA C C 180.213 0.20 1 955 192 192 ALA CA C 54.726 0.20 1 956 192 192 ALA CB C 17.935 0.20 1 957 192 192 ALA N N 123.762 0.20 1 958 193 193 ARG H H 7.794 0.02 1 959 193 193 ARG C C 176.734 0.20 1 960 193 193 ARG CA C 56.469 0.20 1 961 193 193 ARG CB C 30.99 0.20 1 962 193 193 ARG N N 114.193 0.20 1 963 194 194 GLY H H 7.634 0.02 1 964 194 194 GLY C C 175.299 0.20 1 965 194 194 GLY CA C 45.965 0.20 1 966 194 194 GLY N N 109.445 0.20 1 967 195 195 VAL H H 8.325 0.02 1 968 195 195 VAL C C 175.128 0.20 1 969 195 195 VAL CA C 60.321 0.20 1 970 195 195 VAL CB C 31.852 0.20 1 971 195 195 VAL N N 125.466 0.20 1 972 196 196 PRO C C 172.281 0.20 1 973 196 196 PRO CA C 63.621 0.20 1 974 196 196 PRO CB C 30.799 0.20 1 975 197 197 LEU H H 7.258 0.02 1 976 197 197 LEU C C 175.429 0.20 1 977 197 197 LEU CA C 56.986 0.20 1 978 197 197 LEU CB C 42.064 0.20 1 979 197 197 LEU N N 121.768 0.20 1 980 198 198 ASP H H 9.811 0.02 1 981 198 198 ASP C C 175.939 0.20 1 982 198 198 ASP CA C 54.731 0.20 1 983 198 198 ASP CB C 45.014 0.20 1 984 198 198 ASP CG C 178.738 0.20 1 985 198 198 ASP N N 123.676 0.20 1 986 199 199 CYS H H 8.119 0.02 1 987 199 199 CYS C C 172.713 0.20 1 988 199 199 CYS CA C 53.402 0.20 1 989 199 199 CYS CB C 49.053 0.20 1 990 199 199 CYS N N 116.687 0.20 1 991 200 200 VAL H H 8.512 0.02 1 992 200 200 VAL C C 173.405 0.20 1 993 200 200 VAL CA C 60.612 0.20 1 994 200 200 VAL CB C 34.401 0.20 1 995 200 200 VAL N N 120.725 0.20 1 996 201 201 GLY H H 9.559 0.02 1 997 201 201 GLY C C 170.703 0.20 1 998 201 201 GLY CA C 44.426 0.20 1 999 201 201 GLY N N 115.838 0.20 1 1000 202 202 PHE H H 8.461 0.02 1 1001 202 202 PHE C C 178 0.20 1 1002 202 202 PHE CA C 55.066 0.20 1 1003 202 202 PHE CB C 38.739 0.20 1 1004 202 202 PHE N N 122.364 0.20 1 1005 203 203 GLN H H 9 0.02 1 1006 203 203 GLN C C 175.765 0.20 1 1007 203 203 GLN CA C 58.811 0.20 1 1008 203 203 GLN CB C 28.843 0.20 1 1009 203 203 GLN CD C 177.993 0.20 1 1010 203 203 GLN N N 125.226 0.20 1 1011 204 204 SER H H 8.463 0.02 1 1012 204 204 SER C C 174.341 0.20 1 1013 204 204 SER CA C 58.446 0.20 1 1014 204 204 SER CB C 61.388 0.20 1 1015 204 204 SER N N 101.914 0.20 1 1016 205 205 HIS H H 8.134 0.02 1 1017 205 205 HIS HD2 H 7.59 0.02 1 1018 205 205 HIS HE1 H 7.7 0.02 1 1019 205 205 HIS C C 175.289 0.20 1 1020 205 205 HIS CA C 54.747 0.20 1 1021 205 205 HIS CB C 27.011 0.20 1 1022 205 205 HIS CD2 C 120 0.20 1 1023 205 205 HIS CE1 C 138.2 0.20 1 1024 205 205 HIS N N 118.556 0.20 1 1025 205 205 HIS ND1 N 182.8 0.20 4 1026 205 205 HIS NE2 N 171.2 0.20 4 1027 206 206 LEU H H 8.583 0.02 1 1028 206 206 LEU C C 175.186 0.20 1 1029 206 206 LEU CA C 52.811 0.20 1 1030 206 206 LEU CB C 44.123 0.20 1 1031 206 206 LEU N N 125.4 0.20 1 1032 207 207 ILE H H 8.383 0.02 1 1033 207 207 ILE C C 174.719 0.20 1 1034 207 207 ILE CA C 60.159 0.20 1 1035 207 207 ILE CB C 40.429 0.20 1 1036 207 207 ILE N N 123.829 0.20 1 1037 208 208 VAL H H 8.241 0.02 1 1038 208 208 VAL C C 177.29 0.20 1 1039 208 208 VAL CA C 62.443 0.20 1 1040 208 208 VAL CB C 31.542 0.20 1 1041 208 208 VAL N N 125.418 0.20 1 1042 209 209 GLY H H 11.868 0.02 1 1043 209 209 GLY C C 176.357 0.20 1 1044 209 209 GLY CA C 44.578 0.20 1 1045 209 209 GLY N N 119.97 0.20 1 1046 210 210 GLN H H 8.371 0.02 1 1047 210 210 GLN C C 177.125 0.20 1 1048 210 210 GLN CA C 53.596 0.20 1 1049 210 210 GLN CB C 27.977 0.20 1 1050 210 210 GLN CD C 180.639 0.20 1 1051 210 210 GLN N N 120.803 0.20 1 1052 211 211 VAL H H 8.859 0.02 1 1053 211 211 VAL C C 175.559 0.20 1 1054 211 211 VAL CA C 61.771 0.20 1 1055 211 211 VAL CB C 31.476 0.20 1 1056 211 211 VAL N N 126.92 0.20 1 1057 212 212 PRO C C 178.751 0.20 1 1058 212 212 PRO CA C 63.438 0.20 1 1059 212 212 PRO CB C 31.436 0.20 1 1060 213 213 GLY H H 8.977 0.02 1 1061 213 213 GLY C C 174.28 0.20 1 1062 213 213 GLY CA C 46.255 0.20 1 1063 213 213 GLY N N 113.726 0.20 1 1064 214 214 ASP H H 8.893 0.02 1 1065 214 214 ASP C C 175.663 0.20 1 1066 214 214 ASP CA C 51.733 0.20 1 1067 214 214 ASP CB C 38.093 0.20 1 1068 214 214 ASP CG C 180.62 0.20 1 1069 214 214 ASP N N 118.698 0.20 1 1070 215 215 PHE H H 6.902 0.02 1 1071 215 215 PHE C C 178.591 0.20 1 1072 215 215 PHE CA C 57.951 0.20 1 1073 215 215 PHE CB C 38.957 0.20 1 1074 215 215 PHE N N 121.574 0.20 1 1075 216 216 ARG H H 8.947 0.02 1 1076 216 216 ARG C C 177.745 0.20 1 1077 216 216 ARG CA C 60.348 0.20 1 1078 216 216 ARG CB C 28.081 0.20 1 1079 216 216 ARG N N 118.905 0.20 1 1080 217 217 GLN H H 8.429 0.02 1 1081 217 217 GLN C C 179.088 0.20 1 1082 217 217 GLN CA C 59.197 0.20 1 1083 217 217 GLN CB C 27.538 0.20 1 1084 217 217 GLN CD C 180.108 0.20 1 1085 217 217 GLN N N 118.929 0.20 1 1086 218 218 ASN H H 8.55 0.02 1 1087 218 218 ASN C C 176.465 0.20 1 1088 218 218 ASN CA C 55.713 0.20 1 1089 218 218 ASN CB C 39.002 0.20 1 1090 218 218 ASN N N 120.291 0.20 1 1091 219 219 LEU H H 8.596 0.02 1 1092 219 219 LEU C C 179.577 0.20 1 1093 219 219 LEU CA C 58.191 0.20 1 1094 219 219 LEU CB C 42.655 0.20 1 1095 219 219 LEU N N 119.013 0.20 1 1096 220 220 GLN H H 8.693 0.02 1 1097 220 220 GLN C C 177.595 0.20 1 1098 220 220 GLN CA C 57.456 0.20 1 1099 220 220 GLN CB C 28.51 0.20 1 1100 220 220 GLN CD C 180.28 0.20 1 1101 220 220 GLN N N 117.116 0.20 1 1102 221 221 ARG H H 8.059 0.02 1 1103 221 221 ARG C C 179.512 0.20 1 1104 221 221 ARG CA C 58.637 0.20 1 1105 221 221 ARG CB C 26.886 0.20 1 1106 221 221 ARG N N 117.516 0.20 1 1107 222 222 PHE H H 7.596 0.02 1 1108 222 222 PHE C C 177.06 0.20 1 1109 222 222 PHE CA C 63.087 0.20 1 1110 222 222 PHE CB C 39.464 0.20 1 1111 222 222 PHE N N 121.817 0.20 1 1112 223 223 ALA H H 8.283 0.02 1 1113 223 223 ALA C C 182.241 0.20 1 1114 223 223 ALA CA C 54.158 0.20 1 1115 223 223 ALA CB C 18.335 0.20 1 1116 223 223 ALA N N 123.855 0.20 1 1117 224 224 ASP H H 8.573 0.02 1 1118 224 224 ASP C C 177.897 0.20 1 1119 224 224 ASP CA C 56.306 0.20 1 1120 224 224 ASP CB C 40.279 0.20 1 1121 224 224 ASP CG C 179.242 0.20 1 1122 224 224 ASP N N 118.708 0.20 1 1123 225 225 LEU H H 7.871 0.02 1 1124 225 225 LEU C C 177.44 0.20 1 1125 225 225 LEU CA C 55.202 0.20 1 1126 225 225 LEU CB C 41.784 0.20 1 1127 225 225 LEU N N 120.159 0.20 1 1128 226 226 GLY H H 8.396 0.02 1 1129 226 226 GLY C C 174.202 0.20 1 1130 226 226 GLY CA C 45.243 0.20 1 1131 226 226 GLY N N 106.631 0.20 1 1132 227 227 VAL H H 6.835 0.02 1 1133 227 227 VAL C C 173.584 0.20 1 1134 227 227 VAL CA C 57.962 0.20 1 1135 227 227 VAL CB C 33.964 0.20 1 1136 227 227 VAL N N 110.802 0.20 1 1137 228 228 ASP H H 7.62 0.02 1 1138 228 228 ASP C C 176.187 0.20 1 1139 228 228 ASP CA C 53.581 0.20 1 1140 228 228 ASP CB C 42.298 0.20 1 1141 228 228 ASP CG C 178.834 0.20 1 1142 228 228 ASP N N 117.639 0.20 1 1143 229 229 VAL H H 8.076 0.02 1 1144 229 229 VAL C C 174.916 0.20 1 1145 229 229 VAL CA C 57.805 0.20 1 1146 229 229 VAL CB C 35.084 0.20 1 1147 229 229 VAL N N 110.084 0.20 1 1148 230 230 ARG H H 8.627 0.02 1 1149 230 230 ARG C C 173.451 0.20 1 1150 230 230 ARG CA C 55.893 0.20 1 1151 230 230 ARG CB C 34.556 0.20 1 1152 230 230 ARG N N 121.373 0.20 1 1153 231 231 ILE H H 7.967 0.02 1 1154 231 231 ILE C C 177.042 0.20 1 1155 231 231 ILE CA C 60.301 0.20 1 1156 231 231 ILE CB C 37.674 0.20 1 1157 231 231 ILE N N 128.684 0.20 1 1158 232 232 THR H H 7.995 0.02 1 1159 232 232 THR C C 174.777 0.20 1 1160 232 232 THR CA C 62.984 0.20 1 1161 232 232 THR CB C 69.024 0.20 1 1162 232 232 THR N N 118.033 0.20 1 1163 233 233 GLU H H 7.469 0.02 1 1164 233 233 GLU C C 173.303 0.20 1 1165 233 233 GLU CA C 52.536 0.20 1 1166 233 233 GLU CB C 31.454 0.20 1 1167 233 233 GLU CD C 173.515 0.20 1 1168 233 233 GLU N N 123.783 0.20 1 1169 234 234 LEU H H 7.99 0.02 1 1170 234 234 LEU C C 178.042 0.20 1 1171 234 234 LEU CA C 55.848 0.20 1 1172 234 234 LEU CB C 41.714 0.20 1 1173 234 234 LEU N N 115.707 0.20 1 1174 236 236 ILE C C 175.032 0.20 1 1175 236 236 ILE CA C 59.986 0.20 1 1176 236 236 ILE CB C 37.662 0.20 1 1177 237 237 ARG H H 8.448 0.02 1 1178 237 237 ARG C C 173.735 0.20 1 1179 237 237 ARG CA C 54.833 0.20 1 1180 237 237 ARG CB C 32.445 0.20 1 1181 237 237 ARG N N 123.232 0.20 1 1182 238 238 MET H H 8.402 0.02 1 1183 238 238 MET C C 174.677 0.20 1 1184 238 238 MET CA C 52.418 0.20 1 1185 238 238 MET CB C 37.008 0.20 1 1186 238 238 MET N N 117.819 0.20 1 1187 239 239 ARG H H 8.557 0.02 1 1188 239 239 ARG C C 177.028 0.20 1 1189 239 239 ARG CA C 55.76 0.20 1 1190 239 239 ARG CB C 28.712 0.20 1 1191 239 239 ARG N N 121.291 0.20 1 1192 240 240 THR H H 7.994 0.02 1 1193 240 240 THR C C 173.107 0.20 1 1194 240 240 THR CA C 59.407 0.20 1 1195 240 240 THR CB C 67.17 0.20 1 1196 240 240 THR N N 117.653 0.20 1 1197 244 244 ALA C C 180.724 0.20 1 1198 244 244 ALA CA C 55.678 0.20 1 1199 244 244 ALA CB C 18.249 0.20 1 1200 245 245 THR H H 8.202 0.02 1 1201 245 245 THR C C 177.333 0.20 1 1202 245 245 THR CA C 66.121 0.20 1 1203 245 245 THR CB C 68.216 0.20 1 1204 245 245 THR N N 117.915 0.20 1 1205 246 246 LYS H H 8.981 0.02 1 1206 246 246 LYS C C 179.878 0.20 1 1207 246 246 LYS CA C 60.113 0.20 1 1208 246 246 LYS CB C 34.794 0.20 1 1209 246 246 LYS N N 125.59 0.20 1 1210 247 247 LEU H H 8.43 0.02 1 1211 247 247 LEU C C 180.254 0.20 1 1212 247 247 LEU CA C 57.654 0.20 1 1213 247 247 LEU CB C 41.654 0.20 1 1214 247 247 LEU N N 117.303 0.20 1 1215 248 248 ALA H H 7.901 0.02 1 1216 248 248 ALA C C 181.038 0.20 1 1217 248 248 ALA CA C 54.808 0.20 1 1218 248 248 ALA CB C 17.6 0.20 1 1219 248 248 ALA N N 125.02 0.20 1 1220 249 249 THR H H 8.435 0.02 1 1221 249 249 THR C C 175.034 0.20 1 1222 249 249 THR CA C 66.365 0.20 1 1223 249 249 THR CB C 68.195 0.20 1 1224 249 249 THR N N 120.907 0.20 1 1225 250 250 GLN H H 8.611 0.02 1 1226 250 250 GLN C C 177.537 0.20 1 1227 250 250 GLN CA C 58.871 0.20 1 1228 250 250 GLN CB C 30.334 0.20 1 1229 250 250 GLN CD C 177.625 0.20 1 1230 250 250 GLN N N 120.269 0.20 1 1231 251 251 ALA H H 7.907 0.02 1 1232 251 251 ALA C C 177.368 0.20 1 1233 251 251 ALA CA C 55.787 0.20 1 1234 251 251 ALA CB C 17.421 0.20 1 1235 251 251 ALA N N 122.242 0.20 1 1236 252 252 ALA H H 7.513 0.02 1 1237 252 252 ALA C C 180.624 0.20 1 1238 252 252 ALA CA C 54.637 0.20 1 1239 252 252 ALA CB C 17.445 0.20 1 1240 252 252 ALA N N 120.715 0.20 1 1241 253 253 ASP H H 8.483 0.02 1 1242 253 253 ASP C C 177.979 0.20 1 1243 253 253 ASP CA C 57.661 0.20 1 1244 253 253 ASP CB C 41.271 0.20 1 1245 253 253 ASP N N 123.154 0.20 1 1246 256 256 LYS C C 180.003 0.20 1 1247 256 256 LYS CA C 59.433 0.20 1 1248 256 256 LYS CB C 32.614 0.20 1 1249 257 257 VAL H H 7.921 0.20 1 1250 257 257 VAL C C 176.689 0.20 1 1251 257 257 VAL CA C 66.576 0.20 1 1252 257 257 VAL CB C 31.108 0.20 1 1253 257 257 VAL N N 120.602 0.20 1 1254 258 258 VAL H H 7.835 0.02 1 1255 258 258 VAL C C 178.56 0.20 1 1256 258 258 VAL CA C 66.784 0.20 1 1257 258 258 VAL CB C 29.871 0.20 1 1258 258 258 VAL N N 118.266 0.20 1 1259 259 259 GLN H H 8.798 0.02 1 1260 259 259 GLN C C 177.548 0.20 1 1261 259 259 GLN CA C 59.356 0.20 1 1262 259 259 GLN CB C 28.342 0.20 1 1263 259 259 GLN CD C 180.277 0.20 1 1264 259 259 GLN N N 118.855 0.20 1 1265 260 260 ALA H H 7.537 0.02 1 1266 260 260 ALA C C 177.905 0.20 1 1267 260 260 ALA CA C 55.24 0.20 1 1268 260 260 ALA CB C 16.226 0.20 1 1269 260 260 ALA N N 121.702 0.20 1 1270 261 261 CYS H H 6.9 0.02 1 1271 261 261 CYS C C 176.882 0.20 1 1272 261 261 CYS CA C 57.589 0.20 1 1273 261 261 CYS CB C 41.316 0.20 1 1274 261 261 CYS N N 111.503 0.20 1 1275 262 262 MET H H 8.384 0.02 1 1276 262 262 MET C C 178.595 0.20 1 1277 262 262 MET CA C 55.752 0.20 1 1278 262 262 MET CB C 30.051 0.20 1 1279 262 262 MET N N 118.472 0.20 1 1280 263 263 GLN H H 7.554 0.02 1 1281 263 263 GLN C C 174.92 0.20 1 1282 263 263 GLN CA C 56.091 0.20 1 1283 263 263 GLN CB C 28.923 0.20 1 1284 263 263 GLN CD C 180.36 0.20 1 1285 263 263 GLN N N 116.857 0.20 1 1286 264 264 VAL H H 7.629 0.02 1 1287 264 264 VAL C C 177.031 0.20 1 1288 264 264 VAL CA C 61.151 0.20 1 1289 264 264 VAL CB C 32.755 0.20 1 1290 264 264 VAL N N 124.211 0.20 1 1291 265 265 THR H H 9.092 0.02 1 1292 265 265 THR C C 176.352 0.20 1 1293 265 265 THR CA C 66.026 0.20 1 1294 265 265 THR CB C 68.367 0.20 1 1295 265 265 THR N N 124.009 0.20 1 1296 266 266 ARG H H 7.28 0.02 1 1297 266 266 ARG C C 176.593 0.20 1 1298 266 266 ARG CA C 55.974 0.20 1 1299 266 266 ARG CB C 29.229 0.20 1 1300 266 266 ARG N N 114.379 0.20 1 1301 267 267 CYS H H 8.171 0.02 1 1302 267 267 CYS C C 174.634 0.20 1 1303 267 267 CYS CA C 55.496 0.20 1 1304 267 267 CYS CB C 44.763 0.20 1 1305 267 267 CYS N N 122.465 0.20 1 1306 268 268 GLN H H 9.272 0.02 1 1307 268 268 GLN C C 176.358 0.20 1 1308 268 268 GLN CA C 56.109 0.20 1 1309 268 268 GLN CB C 30.123 0.20 1 1310 268 268 GLN CD C 178.346 0.20 1 1311 268 268 GLN N N 128.568 0.20 1 1312 269 269 GLY H H 7.326 0.02 1 1313 269 269 GLY C C 169.747 0.20 1 1314 269 269 GLY CA C 45.505 0.20 1 1315 269 269 GLY N N 101.572 0.20 1 1316 270 270 VAL H H 8.297 0.02 1 1317 270 270 VAL C C 173.13 0.20 1 1318 270 270 VAL CA C 60.334 0.20 1 1319 270 270 VAL CB C 36.761 0.20 1 1320 270 270 VAL N N 118.933 0.20 1 1321 271 271 THR H H 8.67 0.02 1 1322 271 271 THR C C 172.569 0.20 1 1323 271 271 THR CA C 59.682 0.20 1 1324 271 271 THR CB C 70.139 0.20 1 1325 271 271 THR N N 128.421 0.20 1 1326 272 272 VAL H H 8.365 0.02 1 1327 272 272 VAL C C 178.231 0.20 1 1328 272 272 VAL CA C 58.632 0.20 1 1329 272 272 VAL CB C 33.508 0.20 1 1330 272 272 VAL N N 119.748 0.20 1 1331 273 273 TRP H H 8.979 0.02 1 1332 273 273 TRP HE1 H 9.655 0.02 1 1333 273 273 TRP C C 175.382 0.20 1 1334 273 273 TRP CA C 55.486 0.20 1 1335 273 273 TRP CB C 27.509 0.20 1 1336 273 273 TRP N N 130.174 0.20 1 1337 273 273 TRP NE1 N 128 0.21 1 1338 274 274 GLY H H 8.196 0.02 1 1339 274 274 GLY C C 171.644 0.20 1 1340 274 274 GLY CA C 42.821 0.20 1 1341 274 274 GLY N N 111.773 0.20 1 1342 275 275 ILE H H 8.767 0.02 1 1343 275 275 ILE C C 174.746 0.20 1 1344 275 275 ILE CA C 63.391 0.20 1 1345 275 275 ILE CB C 40.636 0.20 1 1346 275 275 ILE N N 115.907 0.20 1 1347 276 276 THR H H 7.148 0.02 1 1348 276 276 THR C C 174.34 0.20 1 1349 276 276 THR CA C 56.068 0.20 1 1350 276 276 THR CB C 69.536 0.20 1 1351 276 276 THR N N 109.832 0.20 1 1352 277 277 ASP H H 8.414 0.02 1 1353 277 277 ASP C C 177.501 0.20 1 1354 277 277 ASP CA C 56.977 0.20 1 1355 277 277 ASP CB C 41.883 0.20 1 1356 277 277 ASP CG C 175.833 0.20 1 1357 277 277 ASP N N 131.111 0.20 1 1358 278 278 LYS H H 7.799 0.02 1 1359 278 278 LYS C C 176.207 0.20 1 1360 278 278 LYS CA C 58.975 0.20 1 1361 278 278 LYS CB C 33.389 0.20 1 1362 278 278 LYS N N 119.186 0.20 1 1363 279 279 TYR H H 7.219 0.02 1 1364 279 279 TYR C C 174.764 0.20 1 1365 279 279 TYR CA C 54.396 0.20 1 1366 279 279 TYR CB C 38.642 0.20 1 1367 279 279 TYR N N 115.771 0.20 1 1368 280 280 SER H H 7.173 0.02 1 1369 280 280 SER C C 175.621 0.20 1 1370 280 280 SER CA C 57.023 0.20 1 1371 280 280 SER CB C 64.276 0.20 1 1372 280 280 SER N N 114.131 0.20 1 1373 281 281 TRP H H 8.777 0.02 1 1374 281 281 TRP HE1 H 11.93 0.02 1 1375 281 281 TRP C C 176.59 0.20 1 1376 281 281 TRP CA C 58.397 0.20 1 1377 281 281 TRP CB C 28.114 0.20 1 1378 281 281 TRP N N 129.043 0.20 1 1379 281 281 TRP NE1 N 135.03 0.21 1 1380 282 282 VAL H H 6.751 0.02 1 1381 282 282 VAL C C 174.091 0.20 1 1382 282 282 VAL CA C 67.561 0.20 1 1383 282 282 VAL N N 119.84 0.20 1 1384 283 283 PRO C C 177.78 0.20 1 1385 283 283 PRO CA C 64.977 0.20 1 1386 283 283 PRO CB C 30.618 0.20 1 1387 284 284 ASP H H 7.226 0.02 1 1388 284 284 ASP C C 176.754 0.20 1 1389 284 284 ASP CA C 55.785 0.20 1 1390 284 284 ASP CB C 40.821 0.20 1 1391 284 284 ASP CG C 179.818 0.20 1 1392 284 284 ASP N N 114.799 0.20 1 1393 285 285 VAL H H 7.143 0.02 1 1394 285 285 VAL C C 174.675 0.20 1 1395 285 285 VAL CA C 63.221 0.20 1 1396 285 285 VAL CB C 33.302 0.20 1 1397 285 285 VAL N N 119.193 0.20 1 1398 286 286 PHE H H 8.396 0.02 1 1399 286 286 PHE C C 171.385 0.20 1 1400 286 286 PHE CA C 54.182 0.20 1 1401 286 286 PHE CB C 38.263 0.20 1 1402 286 286 PHE N N 122.029 0.20 1 1403 287 287 PRO C C 179.305 0.20 1 1404 287 287 PRO CA C 63.463 0.20 1 1405 287 287 PRO CB C 31.061 0.20 1 1406 288 288 GLY H H 8.832 0.02 1 1407 288 288 GLY C C 173.708 0.20 1 1408 288 288 GLY CA C 44.797 0.20 1 1409 288 288 GLY N N 112.46 0.20 1 1410 289 289 GLU H H 8.313 0.02 1 1411 289 289 GLU C C 176.387 0.20 1 1412 289 289 GLU CA C 53.916 0.20 1 1413 289 289 GLU CB C 32.983 0.20 1 1414 289 289 GLU CD C 182.693 0.20 1 1415 289 289 GLU N N 120.149 0.20 1 1416 290 290 GLY H H 8.77 0.02 1 1417 290 290 GLY C C 170.947 0.20 1 1418 290 290 GLY CA C 46.361 0.20 1 1419 290 290 GLY N N 104.81 0.20 1 1420 291 291 ALA H H 8.227 0.02 1 1421 291 291 ALA C C 178.041 0.20 1 1422 291 291 ALA CA C 52.092 0.20 1 1423 291 291 ALA CB C 17.789 0.20 1 1424 291 291 ALA N N 124.302 0.20 1 1425 292 292 ALA H H 8.887 0.02 1 1426 292 292 ALA C C 178.923 0.20 1 1427 292 292 ALA CA C 53.811 0.20 1 1428 292 292 ALA CB C 22.495 0.20 1 1429 292 292 ALA N N 120.921 0.20 1 1430 293 293 LEU H H 9.456 0.02 1 1431 293 293 LEU C C 176.999 0.20 1 1432 293 293 LEU CA C 54.342 0.20 1 1433 293 293 LEU CB C 41.41 0.20 1 1434 293 293 LEU N N 123.407 0.20 1 1435 294 294 VAL H H 8.061 0.02 1 1436 294 294 VAL C C 173.322 0.20 1 1437 294 294 VAL CA C 65.418 0.20 1 1438 294 294 VAL CB C 30.276 0.20 1 1439 294 294 VAL N N 119.411 0.20 1 1440 295 295 TRP H H 7.355 0.02 1 1441 295 295 TRP HE1 H 10.09 0.02 1 1442 295 295 TRP C C 176.236 0.20 1 1443 295 295 TRP CA C 58.045 0.20 1 1444 295 295 TRP CB C 32.503 0.20 1 1445 295 295 TRP N N 116.626 0.20 1 1446 295 295 TRP NE1 N 130.5 0.21 1 1447 296 296 ASP H H 8.727 0.02 1 1448 296 296 ASP C C 179.564 0.20 1 1449 296 296 ASP CA C 52.049 0.20 1 1450 296 296 ASP CB C 40.241 0.20 1 1451 296 296 ASP N N 120.052 0.20 1 1452 297 297 ALA C C 175.803 0.20 1 1453 297 297 ALA CA C 54.202 0.20 1 1454 297 297 ALA CB C 17.909 0.20 1 1455 298 298 SER H H 8.44 0.02 1 1456 298 298 SER C C 174.021 0.20 1 1457 298 298 SER CA C 57.342 0.20 1 1458 298 298 SER CB C 63.896 0.20 1 1459 298 298 SER N N 114.539 0.20 1 1460 299 299 TYR H H 7.927 0.02 1 1461 299 299 TYR C C 173.354 0.20 1 1462 299 299 TYR CA C 61.919 0.20 1 1463 299 299 TYR CB C 33.428 0.20 1 1464 299 299 TYR N N 113.745 0.20 1 1465 300 300 ALA H H 8.468 0.02 1 1466 300 300 ALA C C 178.429 0.20 1 1467 300 300 ALA CA C 50.858 0.20 1 1468 300 300 ALA CB C 18.839 0.20 1 1469 300 300 ALA N N 123.594 0.20 1 1470 301 301 LYS H H 8.429 0.02 1 1471 301 301 LYS C C 177.601 0.20 1 1472 301 301 LYS CA C 57.262 0.20 1 1473 301 301 LYS CB C 32.745 0.20 1 1474 301 301 LYS N N 122.168 0.20 1 1475 302 302 LYS H H 7.747 0.02 1 1476 302 302 LYS HZ H 8.063 0.02 1 1477 302 302 LYS C C 176.257 0.20 1 1478 302 302 LYS CA C 55.053 0.20 1 1479 302 302 LYS CB C 29.528 0.20 1 1480 302 302 LYS N N 125.821 0.20 1 1481 302 302 LYS NZ N 34.823 0.20 1 1482 303 303 PRO C C 177.007 0.20 1 1483 303 303 PRO CA C 65.368 0.20 1 1484 303 303 PRO CB C 30.564 0.20 1 1485 304 304 ALA H H 7.566 0.02 1 1486 304 304 ALA C C 176.218 0.20 1 1487 304 304 ALA CA C 54.413 0.20 1 1488 304 304 ALA CB C 19.395 0.20 1 1489 304 304 ALA N N 117.294 0.20 1 1490 305 305 TYR H H 7.862 0.02 1 1491 305 305 TYR C C 176.005 0.20 1 1492 305 305 TYR CA C 62.462 0.20 1 1493 305 305 TYR CB C 37.619 0.20 1 1494 305 305 TYR N N 118.348 0.20 1 1495 306 306 ALA H H 7.63 0.02 1 1496 306 306 ALA C C 179.554 0.20 1 1497 306 306 ALA CA C 53.91 0.20 1 1498 306 306 ALA CB C 17.914 0.20 1 1499 306 306 ALA N N 120.343 0.20 1 1500 307 307 ALA H H 6.955 0.02 1 1501 307 307 ALA C C 179.244 0.20 1 1502 307 307 ALA CA C 54.501 0.20 1 1503 307 307 ALA CB C 20.249 0.20 1 1504 307 307 ALA N N 120.592 0.20 1 1505 308 308 VAL H H 7.799 0.02 1 1506 308 308 VAL C C 176.951 0.20 1 1507 308 308 VAL CA C 66.721 0.20 1 1508 308 308 VAL CB C 30.449 0.20 1 1509 308 308 VAL N N 119.593 0.20 1 1510 309 309 MET H H 7.458 0.02 1 1511 309 309 MET C C 178.557 0.20 1 1512 309 309 MET CA C 59.11 0.20 1 1513 309 309 MET CB C 31.852 0.20 1 1514 309 309 MET N N 118.738 0.20 1 1515 310 310 GLU H H 8.05 0.02 1 1516 310 310 GLU C C 180.525 0.20 1 1517 310 310 GLU CA C 58.182 0.20 1 1518 310 310 GLU CB C 29.439 0.20 1 1519 310 310 GLU CD C 183.38 0.20 1 1520 310 310 GLU N N 117.941 0.20 1 1521 311 311 ALA H H 8.099 0.02 1 1522 311 311 ALA C C 179.016 0.20 1 1523 311 311 ALA CA C 54.329 0.20 1 1524 311 311 ALA CB C 19.754 0.20 1 1525 311 311 ALA N N 124.09 0.20 1 1526 312 312 PHE H H 7.562 0.02 1 1527 312 312 PHE C C 176.679 0.20 1 1528 312 312 PHE CA C 59.325 0.20 1 1529 312 312 PHE CB C 39.566 0.20 1 1530 312 312 PHE N N 115.052 0.20 1 1531 313 313 GLY H H 7.826 0.02 1 1532 313 313 GLY C C 173.87 0.20 1 1533 313 313 GLY CA C 45.086 0.20 1 1534 313 313 GLY N N 107.017 0.20 1 1535 314 314 ALA H H 7.466 0.02 1 1536 314 314 ALA C C 176.571 0.20 1 1537 314 314 ALA CA C 51.117 0.20 1 1538 314 314 ALA CB C 19.824 0.20 1 1539 314 314 ALA N N 123.555 0.20 1 1540 315 315 SER H H 8.11 0.02 1 1541 315 315 SER C C 172.79 0.20 1 1542 315 315 SER CA C 55.892 0.20 1 1543 315 315 SER CB C 63.693 0.20 1 1544 315 315 SER N N 116.722 0.20 1 stop_ save_