data_15643 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone chemical shift assignments for ketopantoate reductase (KPR) from E. coli ; _BMRB_accession_number 15643 _BMRB_flat_file_name bmr15643.str _Entry_type original _Submission_date 2008-01-28 _Accession_date 2008-01-28 _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 Headey Stephen J. . 2 Vom Amelia . . 3 Simpson Jamie S. . 4 Scanlon Martin J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 267 "13C chemical shifts" 787 "15N chemical shifts" 267 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-08-13 update BMRB 'added PubMed ID' 2008-06-05 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Backbone assignments of the 34 kDa ketopantoate reductase from E. coli' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636932 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Headey Stephen J. . 2 Vom Amelia . . 3 Simpson Jamie S. . 4 Scanlon Martin J. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 2 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 93 _Page_last 96 _Year 2008 _Details . loop_ _Keyword 'E. coli' 'ketopantoate reductase' KPR 'NMR assignments' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name KPR _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label KPR $KPR stop_ _System_molecular_weight 35792 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_KPR _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common KPR _Molecular_mass . _Mol_thiol_state 'free and disulfide bound' loop_ _Biological_function 'Pantothenate (vitamin B5) synthesis' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 320 _Mol_residue_sequence ; MRGSHHHHHHGLVPRGSMKI TVLGCGALGQLWLTALCKQG HEVQGWLRVPQPYCSVNLVE TDGSIFNESLTANDPDFLAT SDLLLVTLKAWQVSDAVKSL ASTLPVTTPILLIHNGMGTI EELQNIQQPLLMGTTTHAAR RDGNVIIHVANGITHIGPAR QQDGDYSYLADILQTVLPDV AWHNNIRAELWRKLAVNCVI NPLTAIWNCPNGELRHHPQE IMQICEEVAAVIEREGHHTS AEDLRDYVMQVIDATAENIS SMLQDIRALRHTEIDYINGF LLRRARAHGIAVPENTRLFE MVKRKESEYERIGTGLPRPW ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -17 MET 2 -16 ARG 3 -15 GLY 4 -14 SER 5 -13 HIS 6 -12 HIS 7 -11 HIS 8 -10 HIS 9 -9 HIS 10 -8 HIS 11 -7 GLY 12 -6 LEU 13 -5 VAL 14 -4 PRO 15 -3 ARG 16 -2 GLY 17 -1 SER 18 1 MET 19 2 LYS 20 3 ILE 21 4 THR 22 5 VAL 23 6 LEU 24 7 GLY 25 8 CYS 26 9 GLY 27 10 ALA 28 11 LEU 29 12 GLY 30 13 GLN 31 14 LEU 32 15 TRP 33 16 LEU 34 17 THR 35 18 ALA 36 19 LEU 37 20 CYS 38 21 LYS 39 22 GLN 40 23 GLY 41 24 HIS 42 25 GLU 43 26 VAL 44 27 GLN 45 28 GLY 46 29 TRP 47 30 LEU 48 31 ARG 49 32 VAL 50 33 PRO 51 34 GLN 52 35 PRO 53 36 TYR 54 37 CYS 55 38 SER 56 39 VAL 57 40 ASN 58 41 LEU 59 42 VAL 60 43 GLU 61 44 THR 62 45 ASP 63 46 GLY 64 47 SER 65 48 ILE 66 49 PHE 67 50 ASN 68 51 GLU 69 52 SER 70 53 LEU 71 54 THR 72 55 ALA 73 56 ASN 74 57 ASP 75 58 PRO 76 59 ASP 77 60 PHE 78 61 LEU 79 62 ALA 80 63 THR 81 64 SER 82 65 ASP 83 66 LEU 84 67 LEU 85 68 LEU 86 69 VAL 87 70 THR 88 71 LEU 89 72 LYS 90 73 ALA 91 74 TRP 92 75 GLN 93 76 VAL 94 77 SER 95 78 ASP 96 79 ALA 97 80 VAL 98 81 LYS 99 82 SER 100 83 LEU 101 84 ALA 102 85 SER 103 86 THR 104 87 LEU 105 88 PRO 106 89 VAL 107 90 THR 108 91 THR 109 92 PRO 110 93 ILE 111 94 LEU 112 95 LEU 113 96 ILE 114 97 HIS 115 98 ASN 116 99 GLY 117 100 MET 118 101 GLY 119 102 THR 120 103 ILE 121 104 GLU 122 105 GLU 123 106 LEU 124 107 GLN 125 108 ASN 126 109 ILE 127 110 GLN 128 111 GLN 129 112 PRO 130 113 LEU 131 114 LEU 132 115 MET 133 116 GLY 134 117 THR 135 118 THR 136 119 THR 137 120 HIS 138 121 ALA 139 122 ALA 140 123 ARG 141 124 ARG 142 125 ASP 143 126 GLY 144 127 ASN 145 128 VAL 146 129 ILE 147 130 ILE 148 131 HIS 149 132 VAL 150 133 ALA 151 134 ASN 152 135 GLY 153 136 ILE 154 137 THR 155 138 HIS 156 139 ILE 157 140 GLY 158 141 PRO 159 142 ALA 160 143 ARG 161 144 GLN 162 145 GLN 163 146 ASP 164 147 GLY 165 148 ASP 166 149 TYR 167 150 SER 168 151 TYR 169 152 LEU 170 153 ALA 171 154 ASP 172 155 ILE 173 156 LEU 174 157 GLN 175 158 THR 176 159 VAL 177 160 LEU 178 161 PRO 179 162 ASP 180 163 VAL 181 164 ALA 182 165 TRP 183 166 HIS 184 167 ASN 185 168 ASN 186 169 ILE 187 170 ARG 188 171 ALA 189 172 GLU 190 173 LEU 191 174 TRP 192 175 ARG 193 176 LYS 194 177 LEU 195 178 ALA 196 179 VAL 197 180 ASN 198 181 CYS 199 182 VAL 200 183 ILE 201 184 ASN 202 185 PRO 203 186 LEU 204 187 THR 205 188 ALA 206 189 ILE 207 190 TRP 208 191 ASN 209 192 CYS 210 193 PRO 211 194 ASN 212 195 GLY 213 196 GLU 214 197 LEU 215 198 ARG 216 199 HIS 217 200 HIS 218 201 PRO 219 202 GLN 220 203 GLU 221 204 ILE 222 205 MET 223 206 GLN 224 207 ILE 225 208 CYS 226 209 GLU 227 210 GLU 228 211 VAL 229 212 ALA 230 213 ALA 231 214 VAL 232 215 ILE 233 216 GLU 234 217 ARG 235 218 GLU 236 219 GLY 237 220 HIS 238 221 HIS 239 222 THR 240 223 SER 241 224 ALA 242 225 GLU 243 226 ASP 244 227 LEU 245 228 ARG 246 229 ASP 247 230 TYR 248 231 VAL 249 232 MET 250 233 GLN 251 234 VAL 252 235 ILE 253 236 ASP 254 237 ALA 255 238 THR 256 239 ALA 257 240 GLU 258 241 ASN 259 242 ILE 260 243 SER 261 244 SER 262 245 MET 263 246 LEU 264 247 GLN 265 248 ASP 266 249 ILE 267 250 ARG 268 251 ALA 269 252 LEU 270 253 ARG 271 254 HIS 272 255 THR 273 256 GLU 274 257 ILE 275 258 ASP 276 259 TYR 277 260 ILE 278 261 ASN 279 262 GLY 280 263 PHE 281 264 LEU 282 265 LEU 283 266 ARG 284 267 ARG 285 268 ALA 286 269 ARG 287 270 ALA 288 271 HIS 289 272 GLY 290 273 ILE 291 274 ALA 292 275 VAL 293 276 PRO 294 277 GLU 295 278 ASN 296 279 THR 297 280 ARG 298 281 LEU 299 282 PHE 300 283 GLU 301 284 MET 302 285 VAL 303 286 LYS 304 287 ARG 305 288 LYS 306 289 GLU 307 290 SER 308 291 GLU 309 292 TYR 310 293 GLU 311 294 ARG 312 295 ILE 313 296 GLY 314 297 THR 315 298 GLY 316 299 LEU 317 300 PRO 318 301 ARG 319 302 PRO 320 303 TRP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 PDB 1KS9 "Ketopantoate Reductase From Escherichia Coli" 90.94 291 100.00 100.00 0.00e+00 PDB 1YJQ "Crystal Structure Of Ketopantoate Reductase In Complex With Nadp+" 94.69 303 100.00 100.00 0.00e+00 PDB 1YON "Escherichia Coli Ketopantoate Reductase In Complex With 2- Monophosphoadenosine-5'-diphosphate" 94.69 303 100.00 100.00 0.00e+00 PDB 2OFP "Crystal Structure Of Escherichia Coli Ketopantoate Reductase In A Ternary Complex With Nadp+ And Pantoate" 100.00 320 100.00 100.00 0.00e+00 DBJ BAB33902 "involved in thiamin biosynthesis, alternative pyrimidine biosynthesis [Escherichia coli O157:H7 str. Sakai]" 94.69 303 99.34 99.34 0.00e+00 DBJ BAE76205 "2-dehydropantoate reductase, NADPH-specific [Escherichia coli str. K12 substr. W3110]" 94.69 303 100.00 100.00 0.00e+00 DBJ BAG75971 "2-dehydropantoate 2-reductase [Escherichia coli SE11]" 94.69 303 99.67 99.67 0.00e+00 DBJ BAI23796 "2-dehydropantoate reductase, NADPH-specific [Escherichia coli O26:H11 str. 11368]" 94.69 303 99.67 99.67 0.00e+00 DBJ BAI29267 "2-dehydropantoate reductase, NADPH-specific [Escherichia coli O103:H2 str. 12009]" 94.69 303 99.67 99.67 0.00e+00 EMBL CAP74959 "2-dehydropantoate 2-reductase [Escherichia coli LF82]" 94.69 303 99.01 99.34 0.00e+00 EMBL CAQ30894 "2-dehydropantoate 2-reductase [Escherichia coli BL21(DE3)]" 94.69 303 99.67 99.67 0.00e+00 EMBL CAQ90095 "2-dehydropantoate reductase, NADPH-specific [Escherichia fergusonii ATCC 35469]" 94.69 303 99.34 99.67 0.00e+00 EMBL CAQ97297 "2-dehydropantoate reductase, NADPH-specific [Escherichia coli IAI1]" 94.69 303 99.01 99.34 0.00e+00 EMBL CAR01768 "2-dehydropantoate reductase, NADPH-specific [Escherichia coli S88]" 94.69 303 99.67 99.67 0.00e+00 GB AAB40181 "similar to S. typhimurium apbA [Escherichia coli]" 94.69 303 100.00 100.00 0.00e+00 GB AAC73528 "2-dehydropantoate reductase, NADPH-specific [Escherichia coli str. K-12 substr. MG1655]" 94.69 303 100.00 100.00 0.00e+00 GB AAG54775 "involved in thiamin biosynthesis, alternative pyrimidine biosynthesis [Escherichia coli O157:H7 str. EDL933]" 94.69 303 99.34 99.34 0.00e+00 GB AAN42020 "ketopantoate reductase [Shigella flexneri 2a str. 301]" 94.69 303 100.00 100.00 0.00e+00 GB AAN79014 "2-dehydropantoate 2-reductase [Escherichia coli CFT073]" 94.69 303 98.68 99.34 0.00e+00 REF NP_308506 "2-dehydropantoate 2-reductase [Escherichia coli O157:H7 str. Sakai]" 94.69 303 99.34 99.34 0.00e+00 REF NP_414959 "2-dehydropantoate reductase, NADPH-specific [Escherichia coli str. K-12 substr. MG1655]" 94.69 303 100.00 100.00 0.00e+00 REF NP_706313 "2-dehydropantoate 2-reductase [Shigella flexneri 2a str. 301]" 94.69 303 100.00 100.00 0.00e+00 REF WP_000705824 "2-dehydropantoate 2-reductase [Escherichia sp. TW09231]" 94.69 303 98.35 99.01 0.00e+00 REF WP_000705825 "2-dehydropantoate 2-reductase [Escherichia sp. TW14182]" 94.69 303 99.01 99.34 0.00e+00 SP P0A9J4 "RecName: Full=2-dehydropantoate 2-reductase; AltName: Full=Ketopantoate reductase; Short=KPA reductase; Short=KPR" 94.69 303 100.00 100.00 0.00e+00 SP P0A9J5 "RecName: Full=2-dehydropantoate 2-reductase; AltName: Full=Ketopantoate reductase; Short=KPA reductase; Short=KPR" 94.69 303 100.00 100.00 0.00e+00 SP Q8XE72 "RecName: Full=2-dehydropantoate 2-reductase; AltName: Full=Ketopantoate reductase; Short=KPA reductase; Short=KPR" 94.69 303 99.34 99.34 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 _Gene_mnemonic $KPR 'E. coli' 562 Eubacteria . Escherichia coli panE stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $KPR 'recombinant technology' . Escherichia coli BL21(DE3) C41 pRSETA 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 $KPR 0.6 mM '[U-100% 13C; U-100% 15N; 80% 2H]' HEPES 100 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DTT 1 mM 'natural abundance' EDTA 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 1.3 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX _Field_strength 800 _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_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HN(CO)CACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_2D_1H-15N_TROSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.15 . M pH 7.6 0.1 pH pressure 1 . atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0 internal indirect . . . 0.251449530 water H 1 protons ppm 4.762 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0 internal 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_ _Experiment_label '3D HNCO' '3D HNCA' '3D HNCACB' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name KPR _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 19 LYS C C 176.777 0.05 1 2 2 19 LYS CA C 55.184 0.05 1 3 3 20 ILE H H 9.374 0.01 1 4 3 20 ILE C C 175.557 0.05 1 5 3 20 ILE CA C 60.416 0.05 1 6 3 20 ILE CB C 42.879 0.05 1 7 3 20 ILE N N 126.692 0.1 1 8 4 21 THR H H 7.835 0.01 1 9 4 21 THR C C 172.47 0.05 1 10 4 21 THR CA C 62.179 0.05 1 11 4 21 THR CB C 70.904 0.05 1 12 4 21 THR N N 121.191 0.1 1 13 5 22 VAL H H 9.015 0.01 1 14 5 22 VAL C C 173.267 0.05 1 15 5 22 VAL CA C 61.033 0.05 1 16 5 22 VAL CB C 31.863 0.05 1 17 5 22 VAL N N 130.458 0.1 1 18 6 23 LEU H H 8.994 0.01 1 19 6 23 LEU C C 174.68 0.05 1 20 6 23 LEU CA C 54.071 0.05 1 21 6 23 LEU CB C 43.32 0.05 1 22 6 23 LEU N N 128.283 0.1 1 23 7 24 GLY H H 9.028 0.01 1 24 7 24 GLY CA C 45.12 0.05 1 25 7 24 GLY N N 121.334 0.1 1 26 8 25 CYS H H 8.34 0.01 1 27 8 25 CYS CA C 53.116 0.05 1 28 8 25 CYS N N 123.289 0.1 1 29 9 26 GLY H H 7.988 0.01 1 30 9 26 GLY CA C 43.633 0.05 1 31 9 26 GLY N N 110.569 0.1 1 32 10 27 ALA C C 177.927 0.05 1 33 10 27 ALA CA C 55.823 0.05 1 34 10 27 ALA CB C 17.659 0.05 1 35 11 28 LEU H H 8.437 0.01 1 36 11 28 LEU C C 179.113 0.05 1 37 11 28 LEU CA C 56.979 0.05 1 38 11 28 LEU CB C 40.894 0.05 1 39 11 28 LEU N N 115.758 0.1 1 40 12 29 GLY H H 7.664 0.01 1 41 12 29 GLY C C 176.109 0.05 1 42 12 29 GLY CA C 47.938 0.05 1 43 12 29 GLY N N 107.956 0.1 1 44 13 30 GLN H H 8.737 0.01 1 45 13 30 GLN C C 178.544 0.05 1 46 13 30 GLN CA C 60.554 0.05 1 47 13 30 GLN CB C 27.647 0.05 1 48 13 30 GLN N N 119.043 0.1 1 49 14 31 LEU H H 7.667 0.01 1 50 14 31 LEU C C 177.489 0.05 1 51 14 31 LEU CA C 58.346 0.05 1 52 14 31 LEU CB C 40.158 0.05 1 53 14 31 LEU N N 123.72 0.1 1 54 15 32 TRP H H 7.582 0.01 1 55 15 32 TRP C C 178.426 0.05 1 56 15 32 TRP CA C 61.474 0.05 1 57 15 32 TRP CB C 28.488 0.05 1 58 15 32 TRP N N 117.925 0.1 1 59 16 33 LEU H H 9.135 0.01 1 60 16 33 LEU C C 178.252 0.05 1 61 16 33 LEU CA C 59.006 0.05 1 62 16 33 LEU CB C 42.174 0.05 1 63 16 33 LEU N N 119.584 0.1 1 64 17 34 THR H H 7.729 0.01 1 65 17 34 THR C C 175.208 0.05 1 66 17 34 THR CA C 66.762 0.05 1 67 17 34 THR CB C 67.995 0.05 1 68 17 34 THR N N 115.217 0.1 1 69 18 35 ALA H H 7.298 0.01 1 70 18 35 ALA C C 180.996 0.05 1 71 18 35 ALA CA C 54.952 0.05 1 72 18 35 ALA CB C 18.203 0.05 1 73 18 35 ALA N N 123.239 0.1 1 74 19 36 LEU H H 8.673 0.01 1 75 19 36 LEU C C 178.853 0.05 1 76 19 36 LEU CA C 58.125 0.05 1 77 19 36 LEU CB C 42.35 0.05 1 78 19 36 LEU N N 118.355 0.1 1 79 20 37 CYS H H 8.267 0.01 1 80 20 37 CYS C C 179.827 0.05 1 81 20 37 CYS CA C 63.236 0.05 1 82 20 37 CYS CB C 26.928 0.05 1 83 20 37 CYS N N 119.513 0.1 1 84 21 38 LYS H H 8.223 0.01 1 85 21 38 LYS C C 178.187 0.05 1 86 21 38 LYS CA C 59.535 0.05 1 87 21 38 LYS CB C 32.039 0.05 1 88 21 38 LYS N N 120.827 0.1 1 89 22 39 GLN H H 7.077 0.01 1 90 22 39 GLN C C 175.557 0.05 1 91 22 39 GLN CA C 54.159 0.05 1 92 22 39 GLN CB C 28.426 0.05 1 93 22 39 GLN N N 114.488 0.1 1 94 23 40 GLY H H 7.729 0.01 1 95 23 40 GLY C C 174.583 0.05 1 96 23 40 GLY CA C 45.523 0.05 1 97 23 40 GLY N N 106.64 0.1 1 98 24 41 HIS H H 7.314 0.01 1 99 24 41 HIS C C 174.518 0.05 1 100 24 41 HIS CA C 56.627 0.05 1 101 24 41 HIS CB C 30.893 0.05 1 102 24 41 HIS N N 119.816 0.1 1 103 25 42 GLU H H 8.646 0.01 1 104 25 42 GLU C C 175.443 0.05 1 105 25 42 GLU CA C 56.186 0.05 1 106 25 42 GLU CB C 30.541 0.05 1 107 25 42 GLU N N 123.899 0.1 1 108 26 43 VAL H H 8.26 0.01 1 109 26 43 VAL C C 173.706 0.05 1 110 26 43 VAL CA C 58.213 0.05 1 111 26 43 VAL CB C 35.829 0.05 1 112 26 43 VAL N N 118.589 0.1 1 113 27 44 GLN H H 7.865 0.01 1 114 27 44 GLN C C 174.631 0.05 1 115 27 44 GLN CA C 52.925 0.05 1 116 27 44 GLN CB C 29.131 0.05 1 117 27 44 GLN N N 118.183 0.1 1 118 28 45 GLY H H 8.92 0.01 1 119 28 45 GLY C C 172.391 0.05 1 120 28 45 GLY CA C 43.408 0.05 1 121 28 45 GLY N N 108.43 0.1 1 122 29 46 TRP H H 7.658 0.01 1 123 29 46 TRP C C 174.371 0.05 1 124 29 46 TRP CA C 57.806 0.05 1 125 29 46 TRP CB C 29.572 0.05 1 126 29 46 TRP N N 118.977 0.1 1 127 30 47 LEU H H 9.453 0.01 1 128 30 47 LEU C C 177.392 0.05 1 129 30 47 LEU CA C 57.772 0.05 1 130 30 47 LEU CB C 43.936 0.05 1 131 30 47 LEU N N 132 0 1 132 31 48 ARG H H 9.438 0.01 1 133 31 48 ARG CA C 53.719 0.05 1 134 31 48 ARG N N 109.675 0.1 1 135 33 50 PRO CA C 64.022 0.05 1 136 34 51 GLN H H 6.711 0.01 1 137 34 51 GLN CA C 52.754 0.05 1 138 34 51 GLN N N 119.277 0.1 1 139 35 52 PRO C C 175.672 0.05 1 140 35 52 PRO CA C 63.942 0.05 1 141 35 52 PRO CB C 30.982 0.05 1 142 36 53 TYR H H 6.779 0.01 1 143 36 53 TYR C C 173.645 0.05 1 144 36 53 TYR CA C 55.147 0.05 1 145 36 53 TYR CB C 41.123 0.05 1 146 36 53 TYR N N 111.815 0.1 1 147 37 54 CYS H H 8.988 0.01 1 148 37 54 CYS C C 172.848 0.05 1 149 37 54 CYS CA C 55.374 0.05 1 150 37 54 CYS CB C 29.845 0.05 1 151 37 54 CYS N N 117.637 0.1 1 152 38 55 SER H H 8.728 0.01 1 153 38 55 SER C C 173.386 0.05 1 154 38 55 SER CA C 57.709 0.05 1 155 38 55 SER CB C 63.679 0.05 1 156 38 55 SER N N 122.931 0.1 1 157 39 56 VAL H H 8.533 0.01 1 158 39 56 VAL C C 174.573 0.05 1 159 39 56 VAL CA C 60.769 0.05 1 160 39 56 VAL CB C 32.993 0.05 1 161 39 56 VAL N N 128.823 0.1 1 162 40 57 ASN H H 8.19 0.01 1 163 40 57 ASN C C 172.199 0.05 1 164 40 57 ASN CA C 52.281 0.05 1 165 40 57 ASN CB C 39.725 0.05 1 166 40 57 ASN N N 127.246 0.1 1 167 41 58 LEU H H 9.023 0.01 1 168 41 58 LEU C C 174.925 0.05 1 169 41 58 LEU CA C 53.534 0.05 1 170 41 58 LEU CB C 45.932 0.05 1 171 41 58 LEU N N 127.68 0.1 1 172 42 59 VAL H H 9.318 0.01 1 173 42 59 VAL C C 175.426 0.05 1 174 42 59 VAL CA C 61.114 0.05 1 175 42 59 VAL CB C 32.381 0.05 1 176 42 59 VAL N N 128.556 0.1 1 177 43 60 GLU H H 8.87 0.01 1 178 43 60 GLU C C 179.932 0.05 1 179 43 60 GLU CA C 56.038 0.05 1 180 43 60 GLU N N 127.379 0.1 1 181 44 61 THR H H 9.56 0.01 1 182 44 61 THR C C 175.593 0.05 1 183 44 61 THR CA C 64.674 0.05 1 184 44 61 THR CB C 68.313 0.05 1 185 44 61 THR N N 114.488 0.1 1 186 45 62 ASP H H 7.512 0.01 1 187 45 62 ASP C C 177.273 0.05 1 188 45 62 ASP CA C 52.879 0.05 1 189 45 62 ASP CB C 39.737 0.05 1 190 45 62 ASP N N 118.183 0.1 1 191 46 63 GLY H H 8.112 0.01 1 192 46 63 GLY C C 174.144 0.05 1 193 46 63 GLY CA C 44.784 0.05 1 194 46 63 GLY N N 109.675 0.1 1 195 47 64 SER H H 8.157 0.01 1 196 47 64 SER C C 172.894 0.05 1 197 47 64 SER CA C 59.082 0.05 1 198 47 64 SER CB C 63.813 0.05 1 199 47 64 SER N N 118.53 0.1 1 200 48 65 ILE H H 8.326 0.01 1 201 48 65 ILE C C 175.654 0.05 1 202 48 65 ILE CA C 60.344 0.05 1 203 48 65 ILE CB C 40.158 0.05 1 204 48 65 ILE N N 121.236 0.1 1 205 49 66 PHE H H 9.172 0.01 1 206 49 66 PHE C C 173.206 0.05 1 207 49 66 PHE CA C 57.161 0.05 1 208 49 66 PHE CB C 41.642 0.05 1 209 49 66 PHE N N 131.562 0.1 1 210 50 67 ASN H H 8.281 0.01 1 211 50 67 ASN C C 173.316 0.05 1 212 50 67 ASN CA C 51.466 0.05 1 213 50 67 ASN CB C 39.862 0.05 1 214 50 67 ASN N N 126.853 0.1 1 215 51 68 GLU H H 8.135 0.01 1 216 51 68 GLU C C 174.773 0.05 1 217 51 68 GLU CA C 54.455 0.05 1 218 51 68 GLU CB C 34.167 0.05 1 219 51 68 GLU N N 122.637 0.1 1 220 52 69 SER H H 8.816 0.01 1 221 52 69 SER C C 173.535 0.05 1 222 52 69 SER CA C 57.089 0.05 1 223 52 69 SER CB C 63.71 0.05 1 224 52 69 SER N N 119.526 0.1 1 225 53 70 LEU H H 8.313 0.01 1 226 53 70 LEU C C 176.198 0.05 1 227 53 70 LEU CA C 52.889 0.05 1 228 53 70 LEU CB C 44.062 0.05 1 229 53 70 LEU N N 127.743 0.1 1 230 54 71 THR H H 8.531 0.01 1 231 54 71 THR C C 171.436 0.05 1 232 54 71 THR CA C 64.849 0.05 1 233 54 71 THR CB C 69.69 0.05 1 234 54 71 THR N N 118.871 0.1 1 235 55 72 ALA H H 7.28 0.01 1 236 55 72 ALA C C 175.336 0.05 1 237 55 72 ALA CA C 50.184 0.05 1 238 55 72 ALA CB C 20.499 0.05 1 239 55 72 ALA N N 123.936 0.1 1 240 56 73 ASN H H 7.321 0.01 1 241 56 73 ASN C C 172.877 0.05 1 242 56 73 ASN CA C 54.657 0.05 1 243 56 73 ASN CB C 34.21 0.05 1 244 56 73 ASN N N 110.412 0.1 1 245 57 74 ASP H H 8.871 0.01 1 246 57 74 ASP C C 177.028 0.05 1 247 57 74 ASP CA C 51.336 0.05 1 248 57 74 ASP CB C 41.887 0.05 1 249 57 74 ASP N N 119.812 0.1 1 250 58 75 PRO C C 178.745 0.05 1 251 58 75 PRO CA C 64.691 0.05 1 252 58 75 PRO CB C 31.571 0.05 1 253 59 76 ASP H H 8.05 0.01 1 254 59 76 ASP C C 178.234 0.05 1 255 59 76 ASP CA C 57.213 0.05 1 256 59 76 ASP CB C 40.021 0.05 1 257 59 76 ASP N N 122.698 0.1 1 258 60 77 PHE H H 7.881 0.01 1 259 60 77 PHE C C 180.475 0.05 1 260 60 77 PHE CA C 58.864 0.05 1 261 60 77 PHE CB C 37.884 0.05 1 262 60 77 PHE N N 124.605 0.1 1 263 61 78 LEU H H 8.066 0.01 1 264 61 78 LEU C C 177.866 0.05 1 265 61 78 LEU CA C 58.087 0.05 1 266 61 78 LEU CB C 41.381 0.05 1 267 61 78 LEU N N 123.323 0.1 1 268 62 79 ALA H H 7.853 0.01 1 269 62 79 ALA C C 177.369 0.05 1 270 62 79 ALA CA C 53.813 0.05 1 271 62 79 ALA CB C 18.556 0.05 1 272 62 79 ALA N N 117.754 0.1 1 273 63 80 THR H H 7.004 0.01 1 274 63 80 THR C C 174.087 0.05 1 275 63 80 THR CA C 59.183 0.05 1 276 63 80 THR CB C 68.877 0.05 1 277 63 80 THR N N 104.749 0.1 1 278 64 81 SER H H 7.234 0.01 1 279 64 81 SER C C 172.871 0.05 1 280 64 81 SER CA C 61.195 0.05 1 281 64 81 SER CB C 64.788 0.05 1 282 64 81 SER N N 118.441 0.1 1 283 65 82 ASP H H 9.922 0.01 1 284 65 82 ASP C C 175.096 0.05 1 285 65 82 ASP CA C 55.659 0.05 1 286 65 82 ASP CB C 43.421 0.05 1 287 65 82 ASP N N 122.824 0.1 1 288 66 83 LEU H H 7.105 0.01 1 289 66 83 LEU C C 173.271 0.05 1 290 66 83 LEU CA C 54.59 0.05 1 291 66 83 LEU CB C 45.169 0.05 1 292 66 83 LEU N N 117.054 0.1 1 293 67 84 LEU H H 7.964 0.01 1 294 67 84 LEU C C 172.678 0.05 1 295 67 84 LEU CA C 53.133 0.05 1 296 67 84 LEU CB C 43.032 0.05 1 297 67 84 LEU N N 127.225 0.1 1 298 68 85 LEU H H 8.756 0.01 1 299 68 85 LEU C C 174.215 0.05 1 300 68 85 LEU CA C 53.813 0.05 1 301 68 85 LEU CB C 44.101 0.05 1 302 68 85 LEU N N 131.629 0.1 1 303 69 86 VAL H H 9.38 0.01 1 304 69 86 VAL C C 175.016 0.05 1 305 69 86 VAL CA C 61.972 0.05 1 306 69 86 VAL CB C 32.251 0.05 1 307 69 86 VAL N N 127.615 0.1 1 308 70 87 THR H H 8.317 0.01 1 309 70 87 THR C C 173.895 0.05 1 310 70 87 THR CA C 60.029 0.05 1 311 70 87 THR CB C 68.285 0.05 1 312 70 87 THR N N 114.927 0.1 1 313 71 88 LEU H H 6.238 0.01 1 314 71 88 LEU C C 176.985 0.05 1 315 71 88 LEU CA C 53.23 0.05 1 316 71 88 LEU CB C 43.712 0.05 1 317 71 88 LEU N N 120.009 0.1 1 318 72 89 LYS H H 7.554 0.01 1 319 72 89 LYS C C 179.892 0.05 1 320 72 89 LYS CA C 54.784 0.05 1 321 72 89 LYS CB C 31.863 0.05 1 322 72 89 LYS N N 117.543 0.1 1 323 73 90 ALA H H 9.941 0.01 1 324 73 90 ALA CA C 55.464 0.05 1 325 73 90 ALA CB C 18.848 0.05 1 326 73 90 ALA N N 122.54 0.1 1 327 74 91 TRP H H 6.156 0.01 1 328 74 91 TRP C C 175.832 0.05 1 329 74 91 TRP CA C 55.27 0.05 1 330 74 91 TRP CB C 28.463 0.05 1 331 74 91 TRP N N 106.55 0.1 1 332 75 92 GLN H H 7.055 0.01 1 333 75 92 GLN C C 176.628 0.05 1 334 75 92 GLN CA C 54.882 0.05 1 335 75 92 GLN CB C 30.406 0.05 1 336 75 92 GLN N N 118.511 0.1 1 337 76 93 VAL H H 6.321 0.01 1 338 76 93 VAL C C 176.612 0.05 1 339 76 93 VAL CA C 67.072 0.05 1 340 76 93 VAL CB C 31.957 0.05 1 341 76 93 VAL N N 117.136 0.1 1 342 77 94 SER H H 9.021 0.01 1 343 77 94 SER C C 176.668 0.05 1 344 77 94 SER CA C 62.762 0.05 1 345 77 94 SER CB C 61.605 0.05 1 346 77 94 SER N N 117.492 0.1 1 347 78 95 ASP H H 8.869 0.01 1 348 78 95 ASP C C 178.714 0.05 1 349 78 95 ASP CA C 57.295 0.05 1 350 78 95 ASP CB C 40.263 0.05 1 351 78 95 ASP N N 121.937 0.1 1 352 79 96 ALA H H 6.905 0.01 1 353 79 96 ALA C C 180.011 0.05 1 354 79 96 ALA CA C 54.561 0.05 1 355 79 96 ALA CB C 19.026 0.05 1 356 79 96 ALA N N 120.051 0.1 1 357 80 97 VAL H H 8.484 0.01 1 358 80 97 VAL C C 178.026 0.05 1 359 80 97 VAL CA C 66.967 0.05 1 360 80 97 VAL CB C 30.59 0.05 1 361 80 97 VAL N N 118.269 0.1 1 362 81 98 LYS H H 8.381 0.01 1 363 81 98 LYS C C 179.114 0.05 1 364 81 98 LYS CA C 60.239 0.05 1 365 81 98 LYS CB C 31.432 0.05 1 366 81 98 LYS N N 118.182 0.1 1 367 82 99 SER H H 7.168 0.01 1 368 82 99 SER C C 175.48 0.05 1 369 82 99 SER CA C 60.764 0.05 1 370 82 99 SER CB C 63.182 0.05 1 371 82 99 SER N N 112.597 0.1 1 372 83 100 LEU H H 7.182 0.01 1 373 83 100 LEU C C 178.874 0.05 1 374 83 100 LEU CA C 55.928 0.05 1 375 83 100 LEU CB C 41.104 0.05 1 376 83 100 LEU N N 119.775 0.1 1 377 84 101 ALA H H 7.94 0.01 1 378 84 101 ALA C C 177.067 0.05 1 379 84 101 ALA CA C 55.087 0.05 1 380 84 101 ALA CB C 17.869 0.05 1 381 84 101 ALA N N 121.621 0.1 1 382 85 102 SER H H 7.686 0.01 1 383 85 102 SER C C 175.144 0.05 1 384 85 102 SER CA C 59.713 0.05 1 385 85 102 SER CB C 62.867 0.05 1 386 85 102 SER N N 109.032 0.1 1 387 86 103 THR H H 7.433 0.01 1 388 86 103 THR C C 173.815 0.05 1 389 86 103 THR CA C 63.287 0.05 1 390 86 103 THR CB C 69.175 0.05 1 391 86 103 THR N N 117.754 0.1 1 392 87 104 LEU H H 7.029 0.01 1 393 87 104 LEU CA C 52.669 0.05 1 394 87 104 LEU CB C 44.048 0.05 1 395 87 104 LEU N N 124.285 0.1 1 396 88 105 PRO C C 179.843 0.05 1 397 88 105 PRO CA C 63.264 0.05 1 398 88 105 PRO CB C 31.2 0.05 1 399 89 106 VAL H H 8.66 0.01 1 400 89 106 VAL C C 175.005 0.05 1 401 89 106 VAL CA C 64.678 0.05 1 402 89 106 VAL CB C 31.105 0.05 1 403 89 106 VAL N N 121.4 0.1 1 404 90 107 THR H H 6.949 0.01 1 405 90 107 THR C C 175.151 0.05 1 406 90 107 THR CA C 60.246 0.05 1 407 90 107 THR CB C 69.11 0.05 1 408 90 107 THR N N 104.715 0.1 1 409 91 108 THR H H 7.445 0.01 1 410 91 108 THR C C 169.712 0.05 1 411 91 108 THR CA C 61.755 0.05 1 412 91 108 THR CB C 69.771 0.05 1 413 91 108 THR N N 123.598 0.1 1 414 93 110 ILE H H 8.04 0.01 1 415 93 110 ILE CA C 59.529 0.05 1 416 93 110 ILE N N 121.054 0.1 1 417 94 111 LEU H H 8.647 0.01 1 418 94 111 LEU CA C 52.238 0.05 1 419 94 111 LEU N N 127.758 0.1 1 420 95 112 LEU H H 8.547 0.01 1 421 95 112 LEU CA C 53.711 0.05 1 422 95 112 LEU N N 127.844 0.1 1 423 96 113 ILE H H 8.524 0.01 1 424 96 113 ILE CA C 62.549 0.05 1 425 96 113 ILE N N 123.88 0.1 1 426 97 114 HIS H H 7.859 0.01 1 427 97 114 HIS CA C 58.056 0.05 1 428 97 114 HIS N N 127.93 0.1 1 429 98 115 ASN CA C 52.938 0.05 1 430 99 116 GLY H H 8.939 0.01 1 431 99 116 GLY C C 172.23 0.05 1 432 99 116 GLY CA C 45.063 0.05 1 433 99 116 GLY N N 108.98 0.1 1 434 100 117 MET H H 9.006 0.01 1 435 100 117 MET C C 172.456 0.05 1 436 100 117 MET CA C 54.965 0.05 1 437 100 117 MET CB C 37.518 0.05 1 438 100 117 MET N N 118.058 0.1 1 439 101 118 GLY H H 8.068 0.01 1 440 101 118 GLY C C 176.056 0.05 1 441 101 118 GLY CA C 44.968 0.05 1 442 101 118 GLY N N 104.03 0.1 1 443 102 119 THR H H 7.78 0.01 1 444 102 119 THR C C 177.497 0.05 1 445 102 119 THR CA C 62.886 0.05 1 446 102 119 THR CB C 68.45 0.05 1 447 102 119 THR N N 111.43 0.1 1 448 103 120 ILE H H 7.537 0.01 1 449 103 120 ILE C C 179.226 0.05 1 450 103 120 ILE CA C 63.358 0.05 1 451 103 120 ILE CB C 34.689 0.05 1 452 103 120 ILE N N 122.137 0.1 1 453 104 121 GLU H H 8.801 0.01 1 454 104 121 GLU C C 178.804 0.05 1 455 104 121 GLU CA C 59.774 0.05 1 456 104 121 GLU CB C 28.276 0.05 1 457 104 121 GLU N N 120.59 0.1 1 458 105 122 GLU H H 7.036 0.01 1 459 105 122 GLU C C 177.343 0.05 1 460 105 122 GLU CA C 56.945 0.05 1 461 105 122 GLU CB C 29.125 0.05 1 462 105 122 GLU N N 117.839 0.1 1 463 106 123 LEU H H 7.405 0.01 1 464 106 123 LEU C C 177.229 0.05 1 465 106 123 LEU CA C 53.361 0.05 1 466 106 123 LEU CB C 40.819 0.05 1 467 106 123 LEU N N 120.418 0.1 1 468 107 124 GLN H H 7.359 0.01 1 469 107 124 GLN C C 176.531 0.05 1 470 107 124 GLN CA C 58.548 0.05 1 471 107 124 GLN CB C 28.465 0.05 1 472 107 124 GLN N N 118.273 0.1 1 473 108 125 ASN C C 175.56 0.05 1 474 108 125 ASN CA C 53.079 0.05 1 475 108 125 ASN CB C 37.99 0.05 1 476 109 126 ILE H H 7.344 0.01 1 477 109 126 ILE C C 177.148 0.05 1 478 109 126 ILE CA C 59.491 0.05 1 479 109 126 ILE CB C 36.009 0.05 1 480 109 126 ILE N N 121.793 0.1 1 481 110 127 GLN H H 9.133 0.01 1 482 110 127 GLN C C 176.222 0.05 1 483 110 127 GLN CA C 56.94 0.05 1 484 110 127 GLN CB C 29.785 0.05 1 485 110 127 GLN N N 126.77 0.1 1 486 111 128 GLN H H 7.763 0.01 1 487 111 128 GLN C C 172.732 0.05 1 488 111 128 GLN CA C 56.822 0.05 1 489 111 128 GLN CB C 24.787 0.05 1 490 111 128 GLN N N 122.65 0.1 1 491 112 129 PRO C C 175.48 0.05 1 492 112 129 PRO CA C 62.091 0.05 1 493 112 129 PRO CB C 30.982 0.05 1 494 113 130 LEU H H 7.984 0.01 1 495 113 130 LEU C C 174.712 0.05 1 496 113 130 LEU CA C 53.102 0.05 1 497 113 130 LEU CB C 44.906 0.05 1 498 113 130 LEU N N 123.992 0.1 1 499 114 131 LEU H H 9.208 0.01 1 500 114 131 LEU C C 174.584 0.05 1 501 114 131 LEU CA C 52.837 0.05 1 502 114 131 LEU CB C 44.465 0.05 1 503 114 131 LEU N N 125.864 0.1 1 504 115 132 MET H H 8.746 0.01 1 505 115 132 MET C C 174.501 0.05 1 506 115 132 MET CA C 52.837 0.05 1 507 115 132 MET CB C 35.652 0.05 1 508 115 132 MET N N 119.386 0.1 1 509 116 133 GLY H H 8.061 0.01 1 510 116 133 GLY C C 171.514 0.05 1 511 116 133 GLY CA C 45.435 0.05 1 512 116 133 GLY N N 107.183 0.1 1 513 117 134 THR H H 8.56 0.01 1 514 117 134 THR C C 171.676 0.05 1 515 117 134 THR CA C 59.711 0.05 1 516 117 134 THR CB C 69.582 0.05 1 517 117 134 THR N N 112.339 0.1 1 518 118 135 THR H H 8.767 0.01 1 519 118 135 THR CA C 59.447 0.05 1 520 118 135 THR CB C 71.609 0.05 1 521 118 135 THR N N 119.558 0.1 1 522 119 136 THR H H 8.746 0.01 1 523 119 136 THR C C 177.229 0.05 1 524 119 136 THR CA C 60.504 0.05 1 525 119 136 THR CB C 68.7 0.05 1 526 119 136 THR N N 115.275 0.1 1 527 120 137 HIS H H 7.92 0.01 1 528 120 137 HIS C C 175.151 0.05 1 529 120 137 HIS CA C 59.976 0.05 1 530 120 137 HIS CB C 32.48 0.05 1 531 120 137 HIS N N 123.512 0.1 1 532 121 138 ALA H H 8.438 0.01 1 533 121 138 ALA C C 175.93 0.05 1 534 121 138 ALA CA C 50.546 0.05 1 535 121 138 ALA CB C 21.654 0.05 1 536 121 138 ALA N N 123.666 0.1 1 537 122 139 ALA H H 8.717 0.01 1 538 122 139 ALA C C 174.479 0.05 1 539 122 139 ALA CA C 50.55 0.05 1 540 122 139 ALA CB C 21.434 0.05 1 541 122 139 ALA N N 126.984 0.1 1 542 123 140 ARG H H 8.797 0.01 1 543 123 140 ARG C C 172.994 0.05 1 544 123 140 ARG CA C 54.105 0.05 1 545 123 140 ARG CB C 33.253 0.05 1 546 123 140 ARG N N 119.988 0.1 1 547 124 141 ARG H H 8.719 0.01 1 548 124 141 ARG C C 175.183 0.05 1 549 124 141 ARG CA C 55.547 0.05 1 550 124 141 ARG CB C 30.851 0.05 1 551 124 141 ARG N N 124.845 0.1 1 552 125 142 ASP H H 9.104 0.01 1 553 125 142 ASP C C 175.88 0.05 1 554 125 142 ASP CA C 52.952 0.05 1 555 125 142 ASP CB C 41.517 0.05 1 556 125 142 ASP N N 130.266 0.1 1 557 126 143 GLY H H 8.74 0.01 1 558 126 143 GLY CA C 46.994 0.05 1 559 126 143 GLY N N 115.003 0.1 1 560 127 144 ASN C C 174.22 0.05 1 561 127 144 ASN CA C 53.276 0.05 1 562 127 144 ASN CB C 38.675 0.05 1 563 128 145 VAL H H 7.653 0.01 1 564 128 145 VAL C C 173.664 0.05 1 565 128 145 VAL CA C 60.445 0.05 1 566 128 145 VAL CB C 34.217 0.05 1 567 128 145 VAL N N 118.785 0.1 1 568 129 146 ILE H H 8.753 0.01 1 569 129 146 ILE C C 174.239 0.05 1 570 129 146 ILE CA C 57.035 0.05 1 571 129 146 ILE CB C 35.615 0.05 1 572 129 146 ILE N N 123.885 0.1 1 573 130 147 ILE H H 9.168 0.01 1 574 130 147 ILE C C 176.353 0.05 1 575 130 147 ILE CA C 58.958 0.05 1 576 130 147 ILE CB C 39.462 0.05 1 577 130 147 ILE N N 126.176 0.1 1 578 131 148 HIS H H 8.999 0.01 1 579 131 148 HIS C C 172.236 0.05 1 580 131 148 HIS CA C 52.751 0.05 1 581 131 148 HIS CB C 29.058 0.05 1 582 131 148 HIS N N 127.465 0.1 1 583 132 149 VAL H H 8.235 0.01 1 584 132 149 VAL C C 175.63 0.05 1 585 132 149 VAL CA C 64.117 0.05 1 586 132 149 VAL CB C 32.556 0.05 1 587 132 149 VAL N N 129.074 0.1 1 588 133 150 ALA H H 7.504 0.01 1 589 133 150 ALA C C 175.982 0.05 1 590 133 150 ALA CA C 51.615 0.05 1 591 133 150 ALA CB C 21.715 0.05 1 592 133 150 ALA N N 118.669 0.1 1 593 134 151 ASN H H 8.215 0.01 1 594 134 151 ASN C C 173.794 0.05 1 595 134 151 ASN CA C 52.401 0.05 1 596 134 151 ASN CB C 38.675 0.05 1 597 134 151 ASN N N 119.902 0.1 1 598 135 152 GLY C C 170.344 0.05 1 599 135 152 GLY CA C 45.157 0.05 1 600 136 153 ILE H H 8.346 0.01 1 601 136 153 ILE C C 174.869 0.05 1 602 136 153 ILE CA C 58.221 0.05 1 603 136 153 ILE CB C 41.229 0.05 1 604 136 153 ILE N N 121.793 0.1 1 605 137 154 THR H H 8.891 0.01 1 606 137 154 THR C C 172.588 0.05 1 607 137 154 THR CA C 61.295 0.05 1 608 137 154 THR CB C 69.663 0.05 1 609 137 154 THR N N 125.896 0.1 1 610 138 155 HIS H H 8.68 0.01 1 611 138 155 HIS C C 175.018 0.05 1 612 138 155 HIS CA C 54.977 0.05 1 613 138 155 HIS CB C 32.263 0.05 1 614 138 155 HIS N N 129.1 0.1 1 615 139 156 ILE H H 8.921 0.01 1 616 139 156 ILE C C 173.404 0.05 1 617 139 156 ILE CA C 58.477 0.05 1 618 139 156 ILE CB C 42.339 0.05 1 619 139 156 ILE N N 116.399 0.1 1 620 140 157 GLY H H 8.11 0.01 1 621 140 157 GLY C C 169.862 0.05 1 622 140 157 GLY CA C 44.877 0.05 1 623 140 157 GLY N N 106.85 0.1 1 624 145 162 GLN C C 175.288 0.05 1 625 145 162 GLN CA C 55.7 0.05 1 626 145 162 GLN CB C 27.725 0.05 1 627 146 163 ASP H H 8.105 0.01 1 628 146 163 ASP C C 176.453 0.05 1 629 146 163 ASP CA C 55.607 0.05 1 630 146 163 ASP CB C 42.062 0.05 1 631 146 163 ASP N N 121.793 0.1 1 632 147 164 GLY H H 8.104 0.01 1 633 147 164 GLY C C 172.535 0.05 1 634 147 164 GLY CA C 44.976 0.05 1 635 147 164 GLY N N 108.38 0.1 1 636 148 165 ASP H H 7.935 0.01 1 637 148 165 ASP C C 176.024 0.05 1 638 148 165 ASP CA C 53.337 0.05 1 639 148 165 ASP CB C 40.748 0.05 1 640 148 165 ASP N N 119.043 0.1 1 641 151 168 TYR H H 7.381 0.01 1 642 151 168 TYR C C 177.145 0.05 1 643 151 168 TYR CA C 58.767 0.05 1 644 151 168 TYR CB C 35.742 0.05 1 645 151 168 TYR N N 121.656 0.1 1 646 152 169 LEU H H 7.096 0.01 1 647 152 169 LEU C C 179.322 0.05 1 648 152 169 LEU CA C 56.349 0.05 1 649 152 169 LEU CB C 41.209 0.05 1 650 152 169 LEU N N 122.566 0.1 1 651 153 170 ALA H H 7.388 0.01 1 652 153 170 ALA C C 178.074 0.05 1 653 153 170 ALA CA C 55.192 0.05 1 654 153 170 ALA CB C 18.185 0.05 1 655 153 170 ALA N N 120.332 0.1 1 656 154 171 ASP H H 7.049 0.01 1 657 154 171 ASP C C 178.837 0.05 1 658 154 171 ASP CA C 57.084 0.05 1 659 154 171 ASP CB C 39.947 0.05 1 660 154 171 ASP N N 116.799 0.1 1 661 155 172 ILE H H 7.277 0.01 1 662 155 172 ILE C C 179.275 0.05 1 663 155 172 ILE CA C 64.129 0.05 1 664 155 172 ILE CB C 38.16 0.05 1 665 155 172 ILE N N 118.785 0.1 1 666 156 173 LEU H H 8.476 0.01 1 667 156 173 LEU C C 178.009 0.05 1 668 156 173 LEU CA C 57.505 0.05 1 669 156 173 LEU CB C 40.053 0.05 1 670 156 173 LEU N N 119.301 0.1 1 671 157 174 GLN H H 8.228 0.01 1 672 157 174 GLN C C 175.963 0.05 1 673 157 174 GLN CA C 58.241 0.05 1 674 157 174 GLN CB C 26.806 0.05 1 675 157 174 GLN N N 122.566 0.1 1 676 158 175 THR H H 6.968 0.01 1 677 158 175 THR C C 174.193 0.05 1 678 158 175 THR CA C 63.182 0.05 1 679 158 175 THR CB C 69.28 0.05 1 680 158 175 THR N N 106.753 0.1 1 681 159 176 VAL H H 7.136 0.01 1 682 159 176 VAL C C 174.469 0.05 1 683 159 176 VAL CA C 63.708 0.05 1 684 159 176 VAL CB C 32.483 0.05 1 685 159 176 VAL N N 120.59 0.1 1 686 160 177 LEU H H 7.665 0.01 1 687 160 177 LEU C C 169.89 0.05 1 688 160 177 LEU CA C 50.882 0.05 1 689 160 177 LEU CB C 40.999 0.05 1 690 160 177 LEU N N 118.785 0.1 1 691 161 178 PRO CA C 60.239 0.05 1 692 161 178 PRO CB C 31.221 0.05 1 693 162 179 ASP H H 7.385 0.01 1 694 162 179 ASP C C 176.633 0.05 1 695 162 179 ASP CA C 56.033 0.05 1 696 162 179 ASP CB C 44.468 0.05 1 697 162 179 ASP N N 121.707 0.1 1 698 163 180 VAL H H 9.791 0.01 1 699 163 180 VAL C C 173.349 0.05 1 700 163 180 VAL CA C 60.974 0.05 1 701 163 180 VAL CB C 33.639 0.05 1 702 163 180 VAL N N 127.723 0.1 1 703 164 181 ALA H H 8.717 0.01 1 704 164 181 ALA C C 175.053 0.05 1 705 164 181 ALA CA C 50.356 0.05 1 706 164 181 ALA CB C 21.759 0.05 1 707 164 181 ALA N N 130.718 0.1 1 708 165 182 TRP H H 8.695 0.01 1 709 165 182 TRP C C 175.541 0.05 1 710 165 182 TRP CA C 56.033 0.05 1 711 165 182 TRP CB C 30.275 0.05 1 712 165 182 TRP N N 123.598 0.1 1 713 166 183 HIS H H 8.469 0.01 1 714 166 183 HIS C C 173.882 0.05 1 715 166 183 HIS CA C 54.009 0.05 1 716 166 183 HIS CB C 32.965 0.05 1 717 166 183 HIS N N 129.194 0.1 1 718 169 186 ILE C C 175.4 0.05 1 719 169 186 ILE CA C 59.397 0.05 1 720 169 186 ILE CB C 38.37 0.05 1 721 170 187 ARG H H 8.486 0.01 1 722 170 187 ARG C C 176.79 0.05 1 723 170 187 ARG CA C 60.239 0.05 1 724 170 187 ARG CB C 28.698 0.05 1 725 170 187 ARG N N 122.394 0.1 1 726 171 188 ALA H H 7.488 0.01 1 727 171 188 ALA C C 179.843 0.05 1 728 171 188 ALA CA C 55.297 0.05 1 729 171 188 ALA CB C 17.554 0.05 1 730 171 188 ALA N N 120.16 0.1 1 731 172 189 GLU H H 6.788 0.01 1 732 172 189 GLU C C 178.966 0.05 1 733 172 189 GLU CA C 57.295 0.05 1 734 172 189 GLU CB C 28.172 0.05 1 735 172 189 GLU N N 117.839 0.1 1 736 173 190 LEU H H 8.024 0.01 1 737 173 190 LEU C C 180.723 0.05 1 738 173 190 LEU CA C 57.4 0.05 1 739 173 190 LEU CB C 39.422 0.05 1 740 173 190 LEU N N 118.699 0.1 1 741 174 191 TRP H H 8.417 0.01 1 742 174 191 TRP C C 178.33 0.05 1 743 174 191 TRP CA C 61.185 0.05 1 744 174 191 TRP CB C 28.908 0.05 1 745 174 191 TRP N N 121.191 0.1 1 746 175 192 ARG H H 7.204 0.01 1 747 175 192 ARG C C 178.186 0.05 1 748 175 192 ARG CA C 60.028 0.05 1 749 175 192 ARG CB C 29.329 0.05 1 750 175 192 ARG N N 119.73 0.1 1 751 176 193 LYS H H 7.602 0.01 1 752 176 193 LYS C C 179.324 0.05 1 753 176 193 LYS CA C 57.715 0.05 1 754 176 193 LYS CB C 31.011 0.05 1 755 176 193 LYS N N 116.894 0.1 1 756 177 194 LEU H H 8.534 0.01 1 757 177 194 LEU C C 179.466 0.05 1 758 177 194 LEU CA C 58.346 0.05 1 759 177 194 LEU CB C 40.578 0.05 1 760 177 194 LEU N N 123.512 0.1 1 761 178 195 ALA H H 8.535 0.01 1 762 178 195 ALA C C 178.755 0.05 1 763 178 195 ALA CA C 56.033 0.05 1 764 178 195 ALA CB C 19.551 0.05 1 765 178 195 ALA N N 122.394 0.1 1 766 179 196 VAL H H 7.229 0.01 1 767 179 196 VAL C C 178.788 0.05 1 768 179 196 VAL CA C 65.6 0.05 1 769 179 196 VAL CB C 31.432 0.05 1 770 179 196 VAL N N 114.316 0.1 1 771 180 197 ASN H H 8.116 0.01 1 772 180 197 ASN C C 177.593 0.05 1 773 180 197 ASN CA C 57.084 0.05 1 774 180 197 ASN CB C 39.212 0.05 1 775 180 197 ASN N N 119.386 0.1 1 776 181 198 CYS H H 8.857 0.01 1 777 181 198 CYS C C 174.164 0.05 1 778 181 198 CYS CA C 62.972 0.05 1 779 181 198 CYS CB C 27.752 0.05 1 780 181 198 CYS N N 119.301 0.1 1 781 182 199 VAL H H 7.027 0.01 1 782 182 199 VAL C C 176.193 0.05 1 783 182 199 VAL CA C 63.708 0.05 1 784 182 199 VAL CB C 32.483 0.05 1 785 182 199 VAL N N 114.402 0.1 1 786 183 200 ILE H H 8.028 0.01 1 787 183 200 ILE C C 179.034 0.05 1 788 183 200 ILE CA C 65.39 0.05 1 789 183 200 ILE CB C 38.581 0.05 1 790 183 200 ILE N N 112.769 0.1 1 791 184 201 ASN H H 7.88 0.01 1 792 184 201 ASN C C 172.52 0.05 1 793 184 201 ASN CA C 58.661 0.05 1 794 184 201 ASN CB C 34.796 0.05 1 795 184 201 ASN N N 115.777 0.1 1 796 185 202 PRO CA C 65.6 0.05 1 797 185 202 PRO CB C 30.485 0.05 1 798 186 203 LEU H H 6.426 0.01 1 799 186 203 LEU CA C 57.505 0.05 1 800 186 203 LEU CB C 40.368 0.05 1 801 186 203 LEU N N 113.972 0.1 1 802 187 204 THR H H 7.364 0.01 1 803 187 204 THR CA C 64.549 0.05 1 804 187 204 THR CB C 69.07 0.05 1 805 187 204 THR N N 107.448 0.1 1 806 188 205 ALA H H 7.6 0.01 1 807 188 205 ALA CA C 54.877 0.05 1 808 188 205 ALA CB C 18.5 0.05 1 809 188 205 ALA N N 122.652 0.1 1 810 189 206 ILE H H 7.878 0.01 1 811 189 206 ILE CA C 63.603 0.05 1 812 189 206 ILE CB C 37.845 0.05 1 813 189 206 ILE N N 113.542 0.1 1 814 190 207 TRP H H 7.991 0.01 1 815 190 207 TRP C C 176.409 0.05 1 816 190 207 TRP CA C 55.928 0.05 1 817 190 207 TRP CB C 28.978 0.05 1 818 190 207 TRP N N 120.625 0.1 1 819 191 208 ASN H H 8.322 0.01 1 820 191 208 ASN C C 173.603 0.05 1 821 191 208 ASN CA C 53.379 0.05 1 822 191 208 ASN CB C 36.717 0.05 1 823 191 208 ASN N N 121.105 0.1 1 824 192 209 CYS H H 7.619 0.01 1 825 192 209 CYS C C 170.171 0.05 1 826 192 209 CYS CA C 51.831 0.05 1 827 192 209 CYS CB C 32.164 0.05 1 828 192 209 CYS N N 114.316 0.1 1 829 193 210 PRO C C 177.392 0.05 1 830 193 210 PRO CA C 61.755 0.05 1 831 193 210 PRO CB C 31.483 0.05 1 832 194 211 ASN H H 8.485 0.01 1 833 194 211 ASN C C 177.814 0.05 1 834 194 211 ASN CA C 56.474 0.05 1 835 194 211 ASN CB C 36.292 0.05 1 836 194 211 ASN N N 120.59 0.1 1 837 195 212 GLY H H 9.38 0.01 1 838 195 212 GLY C C 176.044 0.05 1 839 195 212 GLY CA C 46.571 0.05 1 840 195 212 GLY N N 103.73 0.1 1 841 196 213 GLU H H 7.396 0.01 1 842 196 213 GLU C C 178.366 0.05 1 843 196 213 GLU CA C 57.134 0.05 1 844 196 213 GLU CB C 28.37 0.05 1 845 196 213 GLU N N 120.847 0.1 1 846 197 214 LEU H H 8.042 0.01 1 847 197 214 LEU C C 177.862 0.05 1 848 197 214 LEU CA C 57.605 0.05 1 849 197 214 LEU CB C 39.687 0.05 1 850 197 214 LEU N N 117.41 0.1 1 851 198 215 ARG H H 7.278 0.01 1 852 198 215 ARG C C 176.109 0.05 1 853 198 215 ARG CA C 58.454 0.05 1 854 198 215 ARG CB C 29.031 0.05 1 855 198 215 ARG N N 116.177 0.1 1 856 199 216 HIS H H 7.084 0.01 1 857 199 216 HIS C C 174.177 0.05 1 858 199 216 HIS CA C 55.153 0.05 1 859 199 216 HIS CB C 29.408 0.05 1 860 199 216 HIS N N 115.14 0.1 1 861 200 217 HIS H H 7.735 0.01 1 862 200 217 HIS C C 171.92 0.05 1 863 200 217 HIS CA C 53.55 0.05 1 864 200 217 HIS CB C 28.653 0.05 1 865 200 217 HIS N N 119.043 0.1 1 866 201 218 PRO CA C 65.463 0.05 1 867 202 219 GLN H H 8.586 0.01 1 868 202 219 GLN C C 178.634 0.05 1 869 202 219 GLN CA C 59.304 0.05 1 870 202 219 GLN N N 121.054 0.1 1 871 203 220 GLU H H 8.854 0.01 1 872 203 220 GLU C C 179.114 0.05 1 873 203 220 GLU CA C 60.191 0.05 1 874 203 220 GLU CB C 28.647 0.05 1 875 203 220 GLU N N 122.051 0.1 1 876 204 221 ILE H H 7.551 0.01 1 877 204 221 ILE C C 178.447 0.05 1 878 204 221 ILE CA C 65.766 0.05 1 879 204 221 ILE CB C 38.174 0.05 1 880 204 221 ILE N N 116.894 0.1 1 881 205 222 MET H H 8.027 0.01 1 882 205 222 MET C C 177.31 0.05 1 883 205 222 MET CA C 57.722 0.05 1 884 205 222 MET CB C 31.47 0.05 1 885 205 222 MET N N 120.332 0.1 1 886 206 223 GLN H H 8.079 0.01 1 887 206 223 GLN C C 179.29 0.05 1 888 206 223 GLN CA C 58.992 0.05 1 889 206 223 GLN CB C 28.224 0.05 1 890 206 223 GLN N N 118.097 0.1 1 891 207 224 ILE H H 7.563 0.01 1 892 207 224 ILE C C 178.794 0.05 1 893 207 224 ILE CA C 65.061 0.05 1 894 207 224 ILE CB C 37.61 0.05 1 895 207 224 ILE N N 118.011 0.1 1 896 208 225 CYS H H 8.25 0.01 1 897 208 225 CYS C C 176.563 0.05 1 898 208 225 CYS CA C 65.244 0.05 1 899 208 225 CYS CB C 27.333 0.05 1 900 208 225 CYS N N 118.011 0.1 1 901 209 226 GLU H H 8.77 0.01 1 902 209 226 GLU C C 179.616 0.05 1 903 209 226 GLU CA C 59.774 0.05 1 904 209 226 GLU CB C 29.125 0.05 1 905 209 226 GLU N N 119.988 0.1 1 906 210 227 GLU H H 7.058 0.01 1 907 210 227 GLU C C 177.797 0.05 1 908 210 227 GLU CA C 58.831 0.05 1 909 210 227 GLU CB C 30.068 0.05 1 910 210 227 GLU N N 119.73 0.1 1 911 211 228 VAL H H 8.193 0.01 1 912 211 228 VAL C C 178.202 0.05 1 913 211 228 VAL CA C 66.336 0.05 1 914 211 228 VAL CB C 30.59 0.05 1 915 211 228 VAL N N 116.542 0.1 1 916 212 229 ALA H H 8.638 0.01 1 917 212 229 ALA C C 178.858 0.05 1 918 212 229 ALA CA C 54.877 0.05 1 919 212 229 ALA CB C 17.133 0.05 1 920 212 229 ALA N N 120.16 0.1 1 921 213 230 ALA H H 7.193 0.01 1 922 213 230 ALA C C 180.299 0.05 1 923 213 230 ALA CA C 54.666 0.05 1 924 213 230 ALA CB C 17.554 0.05 1 925 213 230 ALA N N 119.215 0.1 1 926 214 231 VAL H H 7.235 0.01 1 927 214 231 VAL C C 177.065 0.05 1 928 214 231 VAL CA C 65.916 0.05 1 929 214 231 VAL CB C 31.116 0.05 1 930 214 231 VAL N N 118.269 0.1 1 931 215 232 ILE H H 8.243 0.01 1 932 215 232 ILE C C 177.914 0.05 1 933 215 232 ILE CA C 65.916 0.05 1 934 215 232 ILE CB C 36.688 0.05 1 935 215 232 ILE N N 119.043 0.1 1 936 216 233 GLU H H 7.736 0.01 1 937 216 233 GLU C C 180.891 0.05 1 938 216 233 GLU CA C 58.767 0.05 1 939 216 233 GLU CB C 28.698 0.05 1 940 216 233 GLU N N 119.215 0.1 1 941 217 234 ARG H H 6.834 0.01 1 942 217 234 ARG C C 177.85 0.05 1 943 217 234 ARG CA C 56.138 0.05 1 944 217 234 ARG CB C 26.806 0.05 1 945 217 234 ARG N N 119.215 0.1 1 946 218 235 GLU H H 7.397 0.01 1 947 218 235 GLU C C 175.817 0.05 1 948 218 235 GLU CA C 56.138 0.05 1 949 218 235 GLU CB C 29.119 0.05 1 950 218 235 GLU N N 118.097 0.1 1 951 219 236 GLY H H 7.24 0.01 1 952 219 236 GLY C C 173.239 0.05 1 953 219 236 GLY CA C 44.496 0.05 1 954 219 236 GLY N N 105.034 0.1 1 955 220 237 HIS H H 7.023 0.01 1 956 220 237 HIS C C 173.637 0.05 1 957 220 237 HIS CA C 53.625 0.05 1 958 220 237 HIS CB C 30.37 0.05 1 959 220 237 HIS N N 120.246 0.1 1 960 221 238 HIS CA C 56.399 0.05 1 961 221 238 HIS CB C 29.572 0.05 1 962 222 239 THR H H 8.04 0.01 1 963 222 239 THR C C 171.91 0.05 1 964 222 239 THR CA C 60.884 0.05 1 965 222 239 THR CB C 69.24 0.05 1 966 222 239 THR N N 122.652 0.1 1 967 223 240 SER H H 8.672 0.01 1 968 223 240 SER C C 174.479 0.05 1 969 223 240 SER CA C 56.874 0.05 1 970 223 240 SER CB C 65.792 0.05 1 971 223 240 SER N N 118.183 0.1 1 972 224 241 ALA H H 9.185 0.01 1 973 224 241 ALA C C 178.703 0.05 1 974 224 241 ALA CA C 55.613 0.05 1 975 224 241 ALA CB C 17.764 0.05 1 976 224 241 ALA N N 126.004 0.1 1 977 225 242 GLU H H 8.664 0.01 1 978 225 242 GLU C C 177.631 0.05 1 979 225 242 GLU CA C 60.239 0.05 1 980 225 242 GLU CB C 28.383 0.05 1 981 225 242 GLU N N 116.808 0.1 1 982 226 243 ASP H H 7.657 0.01 1 983 226 243 ASP C C 179.621 0.05 1 984 226 243 ASP CA C 57.249 0.05 1 985 226 243 ASP CB C 39.927 0.05 1 986 226 243 ASP N N 120.246 0.1 1 987 227 244 LEU H H 7.974 0.01 1 988 227 244 LEU C C 177.765 0.05 1 989 227 244 LEU CA C 57.61 0.05 1 990 227 244 LEU CB C 40.789 0.05 1 991 227 244 LEU N N 120.332 0.1 1 992 228 245 ARG H H 8.551 0.01 1 993 228 245 ARG C C 178.561 0.05 1 994 228 245 ARG CA C 59.923 0.05 1 995 228 245 ARG CB C 27.226 0.05 1 996 228 245 ARG N N 121.793 0.1 1 997 229 246 ASP H H 8.331 0.01 1 998 229 246 ASP C C 178.82 0.05 1 999 229 246 ASP CA C 57.505 0.05 1 1000 229 246 ASP CB C 39.317 0.05 1 1001 229 246 ASP N N 120.418 0.1 1 1002 230 247 TYR H H 7.9 0.01 1 1003 230 247 TYR C C 177.651 0.05 1 1004 230 247 TYR CA C 59.546 0.05 1 1005 230 247 TYR CB C 37.668 0.05 1 1006 230 247 TYR N N 122.48 0.1 1 1007 231 248 VAL H H 8.833 0.01 1 1008 231 248 VAL C C 178.057 0.05 1 1009 231 248 VAL CA C 66.652 0.05 1 1010 231 248 VAL CB C 30.485 0.05 1 1011 231 248 VAL N N 119.988 0.1 1 1012 232 249 MET H H 8.444 0.01 1 1013 232 249 MET C C 178.772 0.05 1 1014 232 249 MET CA C 57.084 0.05 1 1015 232 249 MET CB C 28.803 0.05 1 1016 232 249 MET N N 116.808 0.1 1 1017 233 250 GLN H H 7.71 0.01 1 1018 233 250 GLN C C 179.502 0.05 1 1019 233 250 GLN CA C 58.661 0.05 1 1020 233 250 GLN CB C 27.647 0.05 1 1021 233 250 GLN N N 120.332 0.1 1 1022 234 251 VAL H H 7.905 0.01 1 1023 234 251 VAL C C 180.152 0.05 1 1024 234 251 VAL CA C 66.441 0.05 1 1025 234 251 VAL CB C 30.801 0.05 1 1026 234 251 VAL N N 122.738 0.1 1 1027 235 252 ILE H H 8.732 0.01 1 1028 235 252 ILE C C 176.807 0.05 1 1029 235 252 ILE CA C 66.441 0.05 1 1030 235 252 ILE CB C 36.899 0.05 1 1031 235 252 ILE N N 123.941 0.1 1 1032 236 253 ASP H H 7.822 0.01 1 1033 236 253 ASP C C 178.918 0.05 1 1034 236 253 ASP CA C 57.295 0.05 1 1035 236 253 ASP CB C 40.368 0.05 1 1036 236 253 ASP N N 117.41 0.1 1 1037 237 254 ALA H H 7.644 0.01 1 1038 237 254 ALA C C 178.906 0.05 1 1039 237 254 ALA CA C 53.696 0.05 1 1040 237 254 ALA CB C 18.857 0.05 1 1041 237 254 ALA N N 120.332 0.1 1 1042 238 255 THR H H 7.701 0.01 1 1043 238 255 THR C C 176.112 0.05 1 1044 238 255 THR CA C 59.929 0.05 1 1045 238 255 THR CB C 69.322 0.05 1 1046 238 255 THR N N 108.901 0.1 1 1047 239 256 ALA H H 6.859 0.01 1 1048 239 256 ALA C C 179.747 0.05 1 1049 239 256 ALA CA C 55.404 0.05 1 1050 239 256 ALA CB C 19.284 0.05 1 1051 239 256 ALA N N 124.715 0.1 1 1052 240 257 GLU H H 8.676 0.01 1 1053 240 257 GLU C C 176.483 0.05 1 1054 240 257 GLU CA C 55.83 0.05 1 1055 240 257 GLU CB C 29.019 0.05 1 1056 240 257 GLU N N 115.347 0.1 1 1057 241 258 ASN H H 8.222 0.01 1 1058 241 258 ASN C C 172.57 0.05 1 1059 241 258 ASN CA C 53.183 0.05 1 1060 241 258 ASN CB C 38.667 0.05 1 1061 241 258 ASN N N 120.332 0.1 1 1062 242 259 ILE H H 7.874 0.01 1 1063 242 259 ILE C C 178.078 0.05 1 1064 242 259 ILE CA C 56.514 0.05 1 1065 242 259 ILE CB C 35.337 0.05 1 1066 242 259 ILE N N 119.043 0.1 1 1067 243 260 SER H H 9.785 0.01 1 1068 243 260 SER CA C 58.737 0.05 1 1069 243 260 SER CB C 64.301 0.05 1 1070 243 260 SER N N 128.496 0.1 1 1071 244 261 SER C C 176.329 0.05 1 1072 245 262 MET H H 7.116 0.01 1 1073 245 262 MET C C 177.392 0.05 1 1074 245 262 MET CA C 58.643 0.05 1 1075 245 262 MET CB C 32.803 0.05 1 1076 245 262 MET N N 119.558 0.1 1 1077 246 263 LEU H H 8.215 0.01 1 1078 246 263 LEU C C 178.463 0.05 1 1079 246 263 LEU CA C 57.417 0.05 1 1080 246 263 LEU CB C 39.31 0.05 1 1081 246 263 LEU N N 122.137 0.1 1 1082 247 264 GLN H H 8.672 0.01 1 1083 247 264 GLN C C 179.324 0.05 1 1084 247 264 GLN CA C 59.623 0.05 1 1085 247 264 GLN CB C 27.985 0.05 1 1086 247 264 GLN N N 118.957 0.1 1 1087 248 265 ASP H H 7.688 0.01 1 1088 248 265 ASP C C 177.164 0.05 1 1089 248 265 ASP CA C 58.548 0.05 1 1090 248 265 ASP CB C 39.781 0.05 1 1091 248 265 ASP N N 120.246 0.1 1 1092 249 266 ILE H H 8.131 0.01 1 1093 249 266 ILE C C 180.964 0.05 1 1094 249 266 ILE CA C 62.657 0.05 1 1095 249 266 ILE CB C 36.688 0.05 1 1096 249 266 ILE N N 121.879 0.1 1 1097 250 267 ARG H H 8.722 0.01 1 1098 250 267 ARG C C 177.343 0.05 1 1099 250 267 ARG CA C 59.187 0.05 1 1100 250 267 ARG CB C 29.96 0.05 1 1101 250 267 ARG N N 119.988 0.1 1 1102 251 268 ALA H H 7.448 0.01 1 1103 251 268 ALA C C 177.577 0.05 1 1104 251 268 ALA CA C 50.966 0.05 1 1105 251 268 ALA CB C 18.634 0.05 1 1106 251 268 ALA N N 119.558 0.1 1 1107 252 269 LEU H H 7.556 0.01 1 1108 252 269 LEU C C 176.019 0.05 1 1109 252 269 LEU CA C 54.879 0.05 1 1110 252 269 LEU CB C 36.646 0.05 1 1111 252 269 LEU N N 117.925 0.1 1 1112 253 270 ARG H H 8.272 0.01 1 1113 253 270 ARG C C 176.483 0.05 1 1114 253 270 ARG CA C 54.215 0.05 1 1115 253 270 ARG CB C 32.807 0.05 1 1116 253 270 ARG N N 117.324 0.1 1 1117 254 271 HIS H H 8.603 0.01 1 1118 254 271 HIS C C 174.443 0.05 1 1119 254 271 HIS CA C 56.946 0.05 1 1120 254 271 HIS CB C 28.083 0.05 1 1121 254 271 HIS N N 124.801 0.1 1 1122 255 272 THR H H 8.478 0.01 1 1123 255 272 THR C C 175.871 0.05 1 1124 255 272 THR CA C 61.67 0.05 1 1125 255 272 THR CB C 71.857 0.05 1 1126 255 272 THR N N 118.011 0.1 1 1127 256 273 GLU H H 9.909 0.01 1 1128 256 273 GLU C C 177.781 0.05 1 1129 256 273 GLU CA C 56.429 0.05 1 1130 256 273 GLU CB C 29.633 0.05 1 1131 256 273 GLU N N 116.035 0.1 1 1132 257 274 ILE H H 8.139 0.01 1 1133 257 274 ILE C C 176.13 0.05 1 1134 257 274 ILE CA C 63.516 0.05 1 1135 257 274 ILE CB C 37.827 0.05 1 1136 257 274 ILE N N 120.332 0.1 1 1137 258 275 ASP H H 9.141 0.01 1 1138 258 275 ASP C C 175.147 0.05 1 1139 258 275 ASP CA C 58.201 0.05 1 1140 258 275 ASP CB C 39.599 0.05 1 1141 258 275 ASP N N 124.371 0.1 1 1142 259 276 TYR H H 8.193 0.01 1 1143 259 276 TYR C C 173.17 0.05 1 1144 259 276 TYR CA C 57.926 0.05 1 1145 259 276 TYR CB C 38.476 0.05 1 1146 259 276 TYR N N 116.464 0.1 1 1147 260 277 ILE H H 7.285 0.01 1 1148 260 277 ILE C C 175.476 0.05 1 1149 260 277 ILE CA C 60.028 0.05 1 1150 260 277 ILE CB C 37.319 0.05 1 1151 260 277 ILE N N 120.59 0.1 1 1152 261 278 ASN H H 8.685 0.01 1 1153 261 278 ASN C C 176.281 0.05 1 1154 261 278 ASN CA C 57.014 0.05 1 1155 261 278 ASN CB C 36.961 0.05 1 1156 261 278 ASN N N 119.472 0.1 1 1157 262 279 GLY H H 9.016 0.01 1 1158 262 279 GLY C C 174.81 0.05 1 1159 262 279 GLY CA C 47.955 0.05 1 1160 262 279 GLY N N 102.4 0.1 1 1161 263 280 PHE H H 6.364 0.01 1 1162 263 280 PHE C C 176.645 0.05 1 1163 263 280 PHE CA C 61.148 0.05 1 1164 263 280 PHE CB C 38.544 0.05 1 1165 263 280 PHE N N 123.512 0.1 1 1166 264 281 LEU H H 7.174 0.01 1 1167 264 281 LEU C C 178.89 0.05 1 1168 264 281 LEU CA C 57.718 0.05 1 1169 264 281 LEU CB C 40.655 0.05 1 1170 264 281 LEU N N 120.246 0.1 1 1171 265 282 LEU H H 8.168 0.01 1 1172 265 282 LEU C C 179.746 0.05 1 1173 265 282 LEU CA C 58.301 0.05 1 1174 265 282 LEU CB C 40.411 0.05 1 1175 265 282 LEU N N 118.011 0.1 1 1176 266 283 ARG H H 7.334 0.01 1 1177 266 283 ARG C C 179.86 0.05 1 1178 266 283 ARG CA C 59.799 0.05 1 1179 266 283 ARG CB C 29.131 0.05 1 1180 266 283 ARG N N 119.816 0.1 1 1181 267 284 ARG H H 7.741 0.01 1 1182 267 284 ARG C C 177.586 0.05 1 1183 267 284 ARG CA C 55.569 0.05 1 1184 267 284 ARG CB C 26.399 0.05 1 1185 267 284 ARG N N 118.785 0.1 1 1186 268 285 ALA H H 8.961 0.01 1 1187 268 285 ALA C C 180.054 0.05 1 1188 268 285 ALA CA C 55.922 0.05 1 1189 268 285 ALA CB C 18.644 0.05 1 1190 268 285 ALA N N 121.965 0.1 1 1191 269 286 ARG H H 7.849 0.01 1 1192 269 286 ARG C C 179.486 0.05 1 1193 269 286 ARG CA C 58.477 0.05 1 1194 269 286 ARG CB C 28.867 0.05 1 1195 269 286 ARG N N 117.668 0.1 1 1196 270 287 ALA H H 7.193 0.01 1 1197 270 287 ALA C C 179.243 0.05 1 1198 270 287 ALA CA C 54.6 0.05 1 1199 270 287 ALA CB C 16.705 0.05 1 1200 270 287 ALA N N 122.91 0.1 1 1201 271 288 HIS H H 7.29 0.01 1 1202 271 288 HIS C C 175.687 0.05 1 1203 271 288 HIS CA C 56.01 0.05 1 1204 271 288 HIS CB C 32.832 0.05 1 1205 271 288 HIS N N 114.058 0.1 1 1206 272 289 GLY H H 7.866 0.01 1 1207 272 289 GLY C C 174.566 0.05 1 1208 272 289 GLY CA C 46.316 0.05 1 1209 272 289 GLY N N 110.66 0.1 1 1210 273 290 ILE H H 8.003 0.01 1 1211 273 290 ILE C C 174.842 0.05 1 1212 273 290 ILE CA C 59.271 0.05 1 1213 273 290 ILE CB C 39.618 0.05 1 1214 273 290 ILE N N 121.449 0.1 1 1215 274 291 ALA H H 8.508 0.01 1 1216 274 291 ALA C C 176.661 0.05 1 1217 274 291 ALA CA C 52.309 0.05 1 1218 274 291 ALA CB C 18.291 0.05 1 1219 274 291 ALA N N 131.48 0.1 1 1220 275 292 VAL H H 8.339 0.01 1 1221 275 292 VAL C C 174.339 0.05 1 1222 275 292 VAL CA C 57.332 0.05 1 1223 275 292 VAL CB C 31.599 0.05 1 1224 275 292 VAL N N 114.488 0.1 1 1225 276 293 PRO C C 179.963 0.05 1 1226 276 293 PRO CA C 65.636 0.05 1 1227 276 293 PRO CB C 31.043 0.05 1 1228 277 294 GLU H H 11.619 0.01 1 1229 277 294 GLU C C 180.075 0.05 1 1230 277 294 GLU CA C 58.718 0.05 1 1231 277 294 GLU CB C 27.295 0.05 1 1232 277 294 GLU N N 126.949 0.1 1 1233 278 295 ASN H H 10.315 0.01 1 1234 278 295 ASN C C 177.708 0.05 1 1235 278 295 ASN CA C 58.429 0.05 1 1236 278 295 ASN CB C 40.844 0.05 1 1237 278 295 ASN N N 121.81 0.1 1 1238 279 296 THR H H 8.197 0.01 1 1239 279 296 THR CA C 67.581 0.05 1 1240 279 296 THR N N 116.464 0.1 1 1241 280 297 ARG H H 7.856 0.01 1 1242 280 297 ARG CA C 59.294 0.05 1 1243 280 297 ARG N N 123.68 0.1 1 1244 281 298 LEU H H 8.075 0.01 1 1245 281 298 LEU C C 178.186 0.05 1 1246 281 298 LEU CA C 57.754 0.05 1 1247 281 298 LEU N N 118.62 0.1 1 1248 282 299 PHE H H 8.143 0.01 1 1249 282 299 PHE C C 176.109 0.05 1 1250 282 299 PHE CA C 61.66 0.05 1 1251 282 299 PHE CB C 39.97 0.05 1 1252 282 299 PHE N N 119.043 0.1 1 1253 283 300 GLU H H 8.399 0.01 1 1254 283 300 GLU C C 179.989 0.05 1 1255 283 300 GLU CA C 58.925 0.05 1 1256 283 300 GLU CB C 28.653 0.05 1 1257 283 300 GLU N N 117.238 0.1 1 1258 284 301 MET H H 8.304 0.01 1 1259 284 301 MET C C 179.535 0.05 1 1260 284 301 MET CA C 59.114 0.05 1 1261 284 301 MET N N 119.315 0.1 1 1262 285 302 VAL H H 8.04 0.01 1 1263 285 302 VAL C C 177.521 0.05 1 1264 285 302 VAL CA C 67.507 0.05 1 1265 285 302 VAL CB C 30.728 0.05 1 1266 285 302 VAL N N 121.707 0.1 1 1267 286 303 LYS H H 7.995 0.01 1 1268 286 303 LYS C C 180.233 0.05 1 1269 286 303 LYS CA C 57.511 0.05 1 1270 286 303 LYS CB C 29.785 0.05 1 1271 286 303 LYS N N 118.871 0.1 1 1272 287 304 ARG H H 7.976 0.01 1 1273 287 304 ARG C C 179.372 0.05 1 1274 287 304 ARG CA C 59.02 0.05 1 1275 287 304 ARG CB C 28.936 0.05 1 1276 287 304 ARG N N 120.074 0.1 1 1277 288 305 LYS H H 7.561 0.01 1 1278 288 305 LYS C C 178.902 0.05 1 1279 288 305 LYS CA C 58.925 0.05 1 1280 288 305 LYS CB C 30.634 0.05 1 1281 288 305 LYS N N 121.793 0.1 1 1282 289 306 GLU H H 7.994 0.01 1 1283 289 306 GLU C C 178.544 0.05 1 1284 289 306 GLU CA C 58.36 0.05 1 1285 289 306 GLU CB C 29.691 0.05 1 1286 289 306 GLU N N 118.871 0.1 1 1287 290 307 SER H H 7.718 0.01 1 1288 290 307 SER CA C 60.554 0.05 1 1289 290 307 SER CB C 62.972 0.05 1 1290 290 307 SER N N 114.144 0.1 1 1291 291 308 GLU H H 7.263 0.01 1 1292 291 308 GLU CA C 57.772 0.05 1 1293 291 308 GLU CB C 29.224 0.05 1 1294 291 308 GLU N N 120.246 0.1 1 1295 292 309 TYR H H 7.09 0.01 1 1296 292 309 TYR CA C 56.243 0.05 1 1297 292 309 TYR CB C 38.055 0.05 1 1298 292 309 TYR N N 114.9 0.1 1 1299 293 310 GLU H H 7.867 0.01 1 1300 293 310 GLU CA C 57.4 0.05 1 1301 293 310 GLU CB C 29.329 0.05 1 1302 293 310 GLU N N 123.34 0.1 1 1303 294 311 ARG H H 8.058 0.01 1 1304 294 311 ARG CA C 56.138 0.05 1 1305 294 311 ARG CB C 29.855 0.05 1 1306 294 311 ARG N N 120.933 0.1 1 1307 295 312 ILE H H 7.911 0.01 1 1308 295 312 ILE CA C 61.395 0.05 1 1309 295 312 ILE CB C 37.845 0.05 1 1310 295 312 ILE N N 121.277 0.1 1 1311 296 313 GLY H H 8.348 0.01 1 1312 296 313 GLY CA C 45.204 0.05 1 1313 296 313 GLY N N 112.683 0.1 1 1314 300 317 PRO CA C 62.696 0.05 1 1315 301 318 ARG H H 8.287 0.01 1 1316 301 318 ARG CA C 53.527 0.05 1 1317 301 318 ARG N N 123.117 0.1 1 1318 302 319 PRO CA C 63.285 0.05 1 1319 303 320 TRP H H 7.407 0.01 1 1320 303 320 TRP CA C 58.535 0.05 1 1321 303 320 TRP N N 125.627 0.1 1 stop_ save_