data_28057 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone resonance assignments of a holo form of the solute binding protein PiuA from Streptococcus pneumoniae ; _BMRB_accession_number 28057 _BMRB_flat_file_name bmr28057.str _Entry_type original _Submission_date 2019-12-22 _Accession_date 2019-12-22 _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 Edmonds Katherine A. . 2 Zhang Yifan . . 3 Giedroc David P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 271 "13C chemical shifts" 842 "15N chemical shifts" 271 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-06-12 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 28056 'apo form of the solute binding protein PiuA' stop_ _Original_release_date 2019-12-23 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 13C, 15N backbone resonance assignments of the apo and holo forms of the solute binding protein PiuA from Streptococcus pneumoniae ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 32495035 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Edmonds Katherine A. . 2 Zhang Yifan . . 3 Raines Daniel J. . 4 Duhme-Klair Anne-K K. . 5 Giedroc David P. . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume . _Journal_issue . _Journal_ISSN 1874-270X _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2020 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Ga(III) 4-LICAM PiuA' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PiuA $PiuA Ga(III) $entity_GA 4-LICAM $entity_LCM stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'iron uptake' 'solute binding for ABC transporter' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_PiuA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PiuA _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'Substrate binding protein of ABC transporter' 'iron uptake' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 288 _Mol_residue_sequence ; SHMSAPTEITIKSSLDEVKL SKVPEKIVTFDLGAADTIRA LGFEKNIVGMPTKTVPTYLK DLVGTVKNVGSMKEPDLEAI AALEPDLIIASPRTQKFVDK FKEIAPTVLFQASKDDYWTS TKANIESLASAFGETSTQKA KEELAKLDKSIQEVATKNES SDKKALAILLNEGKMAAFGA KSRFSFLYQTLKFKPTDTKF EDSRHGQEVSFESVKEINPD ILFVINRTLAIGGDNSSNDG VLENALIAETPAAKNGKIIQ LTPDLWYLSGGGLESTKLMI EDIQKALK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 34 SER 2 35 HIS 3 36 MET 4 37 SER 5 38 ALA 6 39 PRO 7 40 THR 8 41 GLU 9 42 ILE 10 43 THR 11 44 ILE 12 45 LYS 13 46 SER 14 47 SER 15 48 LEU 16 49 ASP 17 50 GLU 18 51 VAL 19 52 LYS 20 53 LEU 21 54 SER 22 55 LYS 23 56 VAL 24 57 PRO 25 58 GLU 26 59 LYS 27 60 ILE 28 61 VAL 29 62 THR 30 63 PHE 31 64 ASP 32 65 LEU 33 66 GLY 34 67 ALA 35 68 ALA 36 69 ASP 37 70 THR 38 71 ILE 39 72 ARG 40 73 ALA 41 74 LEU 42 75 GLY 43 76 PHE 44 77 GLU 45 78 LYS 46 79 ASN 47 80 ILE 48 81 VAL 49 82 GLY 50 83 MET 51 84 PRO 52 85 THR 53 86 LYS 54 87 THR 55 88 VAL 56 89 PRO 57 90 THR 58 91 TYR 59 92 LEU 60 93 LYS 61 94 ASP 62 95 LEU 63 96 VAL 64 97 GLY 65 98 THR 66 99 VAL 67 100 LYS 68 101 ASN 69 102 VAL 70 103 GLY 71 104 SER 72 105 MET 73 106 LYS 74 107 GLU 75 108 PRO 76 109 ASP 77 110 LEU 78 111 GLU 79 112 ALA 80 113 ILE 81 114 ALA 82 115 ALA 83 116 LEU 84 117 GLU 85 118 PRO 86 119 ASP 87 120 LEU 88 121 ILE 89 122 ILE 90 123 ALA 91 124 SER 92 125 PRO 93 126 ARG 94 127 THR 95 128 GLN 96 129 LYS 97 130 PHE 98 131 VAL 99 132 ASP 100 133 LYS 101 134 PHE 102 135 LYS 103 136 GLU 104 137 ILE 105 138 ALA 106 139 PRO 107 140 THR 108 141 VAL 109 142 LEU 110 143 PHE 111 144 GLN 112 145 ALA 113 146 SER 114 147 LYS 115 148 ASP 116 149 ASP 117 150 TYR 118 151 TRP 119 152 THR 120 153 SER 121 154 THR 122 155 LYS 123 156 ALA 124 157 ASN 125 158 ILE 126 159 GLU 127 160 SER 128 161 LEU 129 162 ALA 130 163 SER 131 164 ALA 132 165 PHE 133 166 GLY 134 167 GLU 135 168 THR 136 169 SER 137 170 THR 138 171 GLN 139 172 LYS 140 173 ALA 141 174 LYS 142 175 GLU 143 176 GLU 144 177 LEU 145 178 ALA 146 179 LYS 147 180 LEU 148 181 ASP 149 182 LYS 150 183 SER 151 184 ILE 152 185 GLN 153 186 GLU 154 187 VAL 155 188 ALA 156 189 THR 157 190 LYS 158 191 ASN 159 192 GLU 160 193 SER 161 194 SER 162 195 ASP 163 196 LYS 164 197 LYS 165 198 ALA 166 199 LEU 167 200 ALA 168 201 ILE 169 202 LEU 170 203 LEU 171 204 ASN 172 205 GLU 173 206 GLY 174 207 LYS 175 208 MET 176 209 ALA 177 210 ALA 178 211 PHE 179 212 GLY 180 213 ALA 181 214 LYS 182 215 SER 183 216 ARG 184 217 PHE 185 218 SER 186 219 PHE 187 220 LEU 188 221 TYR 189 222 GLN 190 223 THR 191 224 LEU 192 225 LYS 193 226 PHE 194 227 LYS 195 228 PRO 196 229 THR 197 230 ASP 198 231 THR 199 232 LYS 200 233 PHE 201 234 GLU 202 235 ASP 203 236 SER 204 237 ARG 205 238 HIS 206 239 GLY 207 240 GLN 208 241 GLU 209 242 VAL 210 243 SER 211 244 PHE 212 245 GLU 213 246 SER 214 247 VAL 215 248 LYS 216 249 GLU 217 250 ILE 218 251 ASN 219 252 PRO 220 253 ASP 221 254 ILE 222 255 LEU 223 256 PHE 224 257 VAL 225 258 ILE 226 259 ASN 227 260 ARG 228 261 THR 229 262 LEU 230 263 ALA 231 264 ILE 232 265 GLY 233 266 GLY 234 267 ASP 235 268 ASN 236 269 SER 237 270 SER 238 271 ASN 239 272 ASP 240 273 GLY 241 274 VAL 242 275 LEU 243 276 GLU 244 277 ASN 245 278 ALA 246 279 LEU 247 280 ILE 248 281 ALA 249 282 GLU 250 283 THR 251 284 PRO 252 285 ALA 253 286 ALA 254 287 LYS 255 288 ASN 256 289 GLY 257 290 LYS 258 291 ILE 259 292 ILE 260 293 GLN 261 294 LEU 262 295 THR 263 296 PRO 264 297 ASP 265 298 LEU 266 299 TRP 267 300 TYR 268 301 LEU 269 302 SER 270 303 GLY 271 304 GLY 272 305 GLY 273 306 LEU 274 307 GLU 275 308 SER 276 309 THR 277 310 LYS 278 311 LEU 279 312 MET 280 313 ILE 281 314 GLU 282 315 ASP 283 316 ILE 284 317 GLN 285 318 LYS 286 319 ALA 287 320 LEU 288 321 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_GA _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_GA (GALLIUM (III) ION)" _BMRB_code GA _PDB_code GA _Molecular_mass 69.723 _Mol_charge 3 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons GA GA GA . 3 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ save_LCM _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_LCM (N,N'-butane-1,4-diylbis(2,3-dihydroxybenzamide))" _BMRB_code LCM _PDB_code LCM _Molecular_mass 360.361 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C1 C1 C . 0 . ? C2 C2 C . 0 . ? C3 C3 C . 0 . ? C4 C4 C . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? C7 C7 C . 0 . ? N8 N8 N . 0 . ? O9 O9 O . 0 . ? C10 C10 C . 0 . ? C11 C11 C . 0 . ? C12 C12 C . 0 . ? C13 C13 C . 0 . ? N14 N14 N . 0 . ? C15 C15 C . 0 . ? C16 C16 C . 0 . ? O17 O17 O . 0 . ? C18 C18 C . 0 . ? C19 C19 C . 0 . ? C20 C20 C . 0 . ? C21 C21 C . 0 . ? C22 C22 C . 0 . ? O23 O23 O . 0 . ? O24 O24 O . 0 . ? O25 O25 O . 0 . ? O26 O26 O . 0 . ? H1 H1 H . 0 . ? H5 H5 H . 0 . ? H6 H6 H . 0 . ? HN8 HN8 H . 0 . ? H10 H10 H . 0 . ? H10A H10A H . 0 . ? H11 H11 H . 0 . ? H11A H11A H . 0 . ? H12 H12 H . 0 . ? H12A H12A H . 0 . ? H13 H13 H . 0 . ? H13A H13A H . 0 . ? HN14 HN14 H . 0 . ? H20 H20 H . 0 . ? H21 H21 H . 0 . ? H22 H22 H . 0 . ? HO23 HO23 H . 0 . ? HO24 HO24 H . 0 . ? HO25 HO25 H . 0 . ? HO26 HO26 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name DOUB C1 C2 ? ? SING C1 C6 ? ? SING C2 C3 ? ? SING C2 O26 ? ? DOUB C3 C4 ? ? SING C3 O25 ? ? SING C4 C5 ? ? SING C4 C7 ? ? DOUB C5 C6 ? ? SING C7 N8 ? ? DOUB C7 O9 ? ? SING N8 C10 ? ? SING C10 C11 ? ? SING C11 C12 ? ? SING C12 C13 ? ? SING C13 N14 ? ? SING N14 C15 ? ? SING C15 C16 ? ? DOUB C15 O17 ? ? DOUB C16 C18 ? ? SING C16 C22 ? ? SING C18 C19 ? ? SING C18 O23 ? ? DOUB C19 C20 ? ? SING C19 O24 ? ? SING C20 C21 ? ? DOUB C21 C22 ? ? SING C1 H1 ? ? SING C5 H5 ? ? SING C6 H6 ? ? SING N8 HN8 ? ? SING C10 H10 ? ? SING C10 H10A ? ? SING C11 H11 ? ? SING C11 H11A ? ? SING C12 H12 ? ? SING C12 H12A ? ? SING C13 H13 ? ? SING C13 H13A ? ? SING N14 HN14 ? ? SING C20 H20 ? ? SING C21 H21 ? ? SING C22 H22 ? ? SING O23 HO23 ? ? SING O24 HO24 ? ? SING O25 HO25 ? ? SING O26 HO26 ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Gene_mnemonic $PiuA 'Streptococcus pneumoniae' 1313 Bacteria . Streptococcus pneumoniae D39 spd_1652 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $PiuA 'recombinant technology' . Escherichia coli . pSUMO stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_DCN_holo_PiuA _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PiuA 0.9 mM '[U-13C; U-15N; U-2H]' D2O 10 % [U-2H] DSS 0.3 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' MES 25 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 4.0.7 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_Sparky _Saveframe_category software _Name Sparky _Version . loop_ _Vendor _Address _Electronic_address Goddard . . 'Hyberts, Wagner' . . stop_ loop_ _Task 'data analysis' processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_b600 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance Neo' _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $DCN_holo_PiuA save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $DCN_holo_PiuA save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $DCN_holo_PiuA save_ save_3D_HN(CO)CACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $DCN_holo_PiuA save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $DCN_holo_PiuA save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $DCN_holo_PiuA save_ save_3D_HN(CA)CO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $DCN_holo_PiuA save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . pH pressure 1 . atm temperature 273 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $TOPSPIN $NMRPipe $Sparky stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HN(CO)CA' '3D HN(CO)CACB' '3D HNCA' '3D HNCACB' '3D HN(CA)CO' stop_ loop_ _Sample_label $DCN_holo_PiuA stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name PiuA _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 36 3 MET C C 176.214 0.3 1 2 36 3 MET CA C 62.025 0.3 1 3 36 3 MET CB C 33.428 0.3 1 4 37 4 SER H H 8.313 0.020 1 5 37 4 SER C C 173.604 0.3 1 6 37 4 SER CA C 57.703 0.3 1 7 37 4 SER CB C 63.234 0.3 1 8 37 4 SER N N 115.741 0.3 1 9 38 5 ALA H H 8.151 0.020 1 10 38 5 ALA C C 175.460 0.3 1 11 38 5 ALA CA C 49.988 0.3 1 12 38 5 ALA CB C 17.505 0.3 1 13 38 5 ALA N N 126.451 0.3 1 14 39 6 PRO C C 176.902 0.3 1 15 39 6 PRO CA C 62.668 0.3 1 16 39 6 PRO CB C 31.038 0.3 1 17 40 7 THR H H 8.069 0.020 1 18 40 7 THR C C 173.701 0.3 1 19 40 7 THR CA C 61.203 0.3 1 20 40 7 THR CB C 69.273 0.3 1 21 40 7 THR N N 114.297 0.3 1 22 41 8 GLU H H 7.966 0.020 1 23 41 8 GLU C C 175.333 0.3 1 24 41 8 GLU CA C 55.739 0.3 1 25 41 8 GLU CB C 30.212 0.3 1 26 41 8 GLU N N 122.333 0.3 1 27 42 9 ILE H H 8.358 0.020 1 28 42 9 ILE C C 175.115 0.3 1 29 42 9 ILE CA C 59.703 0.3 1 30 42 9 ILE CB C 39.075 0.3 1 31 42 9 ILE N N 125.455 0.3 1 32 43 10 THR H H 8.380 0.020 1 33 43 10 THR C C 174.093 0.3 1 34 43 10 THR CA C 60.168 0.3 1 35 43 10 THR CB C 69.822 0.3 1 36 43 10 THR N N 121.204 0.3 1 37 44 11 ILE H H 8.935 0.020 1 38 44 11 ILE C C 175.866 0.3 1 39 44 11 ILE CA C 60.060 0.3 1 40 44 11 ILE CB C 38.526 0.3 1 41 44 11 ILE N N 122.997 0.3 1 42 45 12 LYS H H 8.432 0.020 1 43 45 12 LYS C C 175.960 0.3 1 44 45 12 LYS CA C 55.167 0.3 1 45 45 12 LYS CB C 32.251 0.3 1 46 45 12 LYS N N 130.834 0.3 1 47 46 13 SER H H 9.128 0.020 1 48 46 13 SER C C 172.634 0.3 1 49 46 13 SER CA C 57.882 0.3 1 50 46 13 SER CB C 63.704 0.3 1 51 46 13 SER N N 121.138 0.3 1 52 47 14 SER H H 8.314 0.020 1 53 47 14 SER C C 174.658 0.3 1 54 47 14 SER CA C 60.203 0.3 1 55 47 14 SER CB C 63.312 0.3 1 56 47 14 SER N N 115.692 0.3 1 57 48 15 LEU H H 7.610 0.020 1 58 48 15 LEU C C 175.364 0.3 1 59 48 15 LEU CA C 52.060 0.3 1 60 48 15 LEU CB C 41.664 0.3 1 61 48 15 LEU N N 120.606 0.3 1 62 49 16 ASP H H 7.610 0.020 1 63 49 16 ASP C C 176.964 0.3 1 64 49 16 ASP CA C 54.489 0.3 1 65 49 16 ASP CB C 40.252 0.3 1 66 49 16 ASP N N 116.422 0.3 1 67 50 17 GLU H H 8.632 0.020 1 68 50 17 GLU C C 175.678 0.3 1 69 50 17 GLU CA C 57.382 0.3 1 70 50 17 GLU CB C 29.663 0.3 1 71 50 17 GLU N N 123.794 0.3 1 72 51 18 VAL H H 7.529 0.020 1 73 51 18 VAL C C 173.999 0.3 1 74 51 18 VAL CA C 60.203 0.3 1 75 51 18 VAL CB C 33.506 0.3 1 76 51 18 VAL N N 122.134 0.3 1 77 52 19 LYS H H 8.232 0.020 1 78 52 19 LYS C C 175.756 0.3 1 79 52 19 LYS CA C 53.953 0.3 1 80 52 19 LYS CB C 32.957 0.3 1 81 52 19 LYS N N 125.189 0.3 1 82 53 20 LEU H H 8.839 0.020 1 83 53 20 LEU C C 176.933 0.3 1 84 53 20 LEU CA C 52.560 0.3 1 85 53 20 LEU CB C 43.781 0.3 1 86 53 20 LEU N N 122.732 0.3 1 87 54 21 SER H H 8.809 0.020 1 88 54 21 SER C C 173.089 0.3 1 89 54 21 SER CA C 58.239 0.3 1 90 54 21 SER CB C 63.234 0.3 1 91 54 21 SER N N 114.762 0.3 1 92 55 22 LYS H H 7.263 0.020 1 93 55 22 LYS C C 174.344 0.3 1 94 55 22 LYS CA C 53.917 0.3 1 95 55 22 LYS CB C 33.349 0.3 1 96 55 22 LYS N N 116.090 0.3 1 97 56 23 VAL H H 7.921 0.020 1 98 56 23 VAL C C 174.815 0.3 1 99 56 23 VAL CA C 60.203 0.3 1 100 56 23 VAL CB C 31.938 0.3 1 101 56 23 VAL N N 122.200 0.3 1 102 57 24 PRO C C 175.511 0.3 1 103 57 24 PRO CA C 62.060 0.3 1 104 57 24 PRO CB C 30.411 0.3 1 105 58 25 GLU H H 9.379 0.020 1 106 58 25 GLU C C 175.599 0.3 1 107 58 25 GLU CA C 55.989 0.3 1 108 58 25 GLU CB C 31.781 0.3 1 109 58 25 GLU N N 124.259 0.3 1 110 59 26 LYS H H 9.350 0.020 1 111 59 26 LYS C C 175.160 0.3 1 112 59 26 LYS CA C 54.560 0.3 1 113 59 26 LYS CB C 33.663 0.3 1 114 59 26 LYS N N 122.067 0.3 1 115 60 27 ILE H H 9.054 0.020 1 116 60 27 ILE C C 176.776 0.3 1 117 60 27 ILE CA C 60.489 0.3 1 118 60 27 ILE CB C 40.173 0.3 1 119 60 27 ILE N N 121.470 0.3 1 120 61 28 VAL H H 8.388 0.020 1 121 61 28 VAL C C 174.391 0.3 1 122 61 28 VAL CA C 59.417 0.3 1 123 61 28 VAL CB C 32.957 0.3 1 124 61 28 VAL N N 127.845 0.3 1 125 62 29 THR H H 7.936 0.020 1 126 62 29 THR C C 170.830 0.3 1 127 62 29 THR CA C 56.560 0.3 1 128 62 29 THR CB C 70.607 0.3 1 129 62 29 THR N N 117.751 0.3 1 130 63 30 PHE H H 8.811 0.020 1 131 63 30 PHE C C 172.775 0.3 1 132 63 30 PHE CA C 58.417 0.3 1 133 63 30 PHE CB C 39.311 0.3 1 134 63 30 PHE N N 122.992 0.3 1 135 64 31 ASP H H 7.995 0.020 1 136 64 31 ASP C C 177.529 0.3 1 137 64 31 ASP CA C 52.203 0.3 1 138 64 31 ASP CB C 41.899 0.3 1 139 64 31 ASP N N 120.274 0.3 1 140 65 32 LEU H H 9.120 0.020 1 141 65 32 LEU C C 177.543 0.3 1 142 65 32 LEU CA C 56.417 0.3 1 143 65 32 LEU CB C 38.840 0.3 1 144 65 32 LEU N N 127.381 0.3 1 145 66 33 GLY H H 8.010 0.020 1 146 66 33 GLY C C 176.384 0.3 1 147 66 33 GLY CA C 45.417 0.3 1 148 66 33 GLY N N 109.316 0.3 1 149 67 34 ALA H H 7.692 0.020 1 150 67 34 ALA C C 180.228 0.3 1 151 67 34 ALA CA C 53.381 0.3 1 152 67 34 ALA CB C 16.721 0.3 1 153 67 34 ALA N N 122.931 0.3 1 154 68 35 ALA H H 7.307 0.020 1 155 68 35 ALA C C 178.125 0.3 1 156 68 35 ALA CA C 54.417 0.3 1 157 68 35 ALA CB C 16.763 0.3 1 158 68 35 ALA N N 116.043 0.3 1 159 69 36 ASP H H 8.047 0.020 1 160 69 36 ASP C C 180.134 0.3 1 161 69 36 ASP CA C 55.524 0.3 1 162 69 36 ASP CB C 41.350 0.3 1 163 69 36 ASP N N 118.680 0.3 1 164 70 37 THR H H 8.698 0.020 1 165 70 37 THR C C 180.143 0.3 1 166 70 37 THR CA C 66.739 0.3 1 167 70 37 THR CB C 67.312 0.3 1 168 70 37 THR N N 125.322 0.3 1 169 71 38 ILE H H 8.154 0.020 1 170 71 38 ILE C C 178.329 0.3 1 171 71 38 ILE CA C 66.096 0.3 1 172 71 38 ILE CB C 36.843 0.3 1 173 71 38 ILE N N 121.176 0.3 1 174 72 39 ARG H H 8.217 0.020 1 175 72 39 ARG C C 179.475 0.3 1 176 72 39 ARG CA C 58.810 0.3 1 177 72 39 ARG CB C 29.817 0.3 1 178 72 39 ARG N N 117.551 0.3 1 179 73 40 ALA H H 8.425 0.020 1 180 73 40 ALA C C 179.434 0.3 1 181 73 40 ALA CA C 54.453 0.3 1 182 73 40 ALA CB C 17.348 0.3 1 183 73 40 ALA N N 124.990 0.3 1 184 74 41 LEU H H 7.625 0.020 1 185 74 41 LEU C C 176.196 0.3 1 186 74 41 LEU CA C 54.632 0.3 1 187 74 41 LEU CB C 41.115 0.3 1 188 74 41 LEU N N 114.563 0.3 1 189 75 42 GLY H H 7.647 0.020 1 190 75 42 GLY C C 175.992 0.3 1 191 75 42 GLY CA C 44.238 0.3 1 192 75 42 GLY N N 103.671 0.3 1 193 76 43 PHE H H 7.522 0.020 1 194 76 43 PHE C C 175.725 0.3 1 195 76 43 PHE CA C 57.453 0.3 1 196 76 43 PHE CB C 38.212 0.3 1 197 76 43 PHE N N 118.415 0.3 1 198 77 44 GLU H H 9.120 0.020 1 199 77 44 GLU C C 177.529 0.3 1 200 77 44 GLU CA C 59.346 0.3 1 201 77 44 GLU CB C 27.153 0.3 1 202 77 44 GLU N N 119.942 0.3 1 203 78 45 LYS H H 8.254 0.020 1 204 78 45 LYS C C 176.352 0.3 1 205 78 45 LYS CA C 57.239 0.3 1 206 78 45 LYS CB C 30.212 0.3 1 207 78 45 LYS N N 118.415 0.3 1 208 79 46 ASN H H 8.180 0.020 1 209 79 46 ASN C C 173.921 0.3 1 210 79 46 ASN CA C 53.524 0.3 1 211 79 46 ASN CB C 36.095 0.3 1 212 79 46 ASN N N 118.282 0.3 1 213 80 47 ILE H H 7.522 0.020 1 214 80 47 ILE C C 174.674 0.3 1 215 80 47 ILE CA C 61.096 0.3 1 216 80 47 ILE CB C 36.565 0.3 1 217 80 47 ILE N N 119.145 0.3 1 218 81 48 VAL H H 8.950 0.020 1 219 81 48 VAL C C 177.043 0.3 1 220 81 48 VAL CA C 59.953 0.3 1 221 81 48 VAL CB C 32.016 0.3 1 222 81 48 VAL N N 117.286 0.3 1 223 82 49 GLY H H 7.433 0.020 1 224 82 49 GLY C C 169.998 0.3 1 225 82 49 GLY CA C 45.560 0.3 1 226 82 49 GLY N N 107.058 0.3 1 227 83 50 MET H H 8.225 0.020 1 228 83 50 MET C C 172.430 0.3 1 229 83 50 MET CA C 53.346 0.3 1 230 83 50 MET CB C 36.330 0.3 1 231 83 50 MET N N 123.927 0.3 1 232 84 51 PRO C C 178.574 0.3 1 233 84 51 PRO CA C 62.275 0.3 1 234 84 51 PRO CB C 30.881 0.3 1 235 85 52 THR H H 7.943 0.020 1 236 85 52 THR C C 175.254 0.3 1 237 85 52 THR CA C 60.632 0.3 1 238 85 52 THR CB C 67.861 0.3 1 239 85 52 THR N N 111.441 0.3 1 240 86 53 LYS H H 7.411 0.020 1 241 86 53 LYS C C 177.247 0.3 1 242 86 53 LYS CA C 58.525 0.3 1 243 86 53 LYS CB C 31.859 0.3 1 244 86 53 LYS N N 121.536 0.3 1 245 87 54 THR H H 8.121 0.020 1 246 87 54 THR C C 174.658 0.3 1 247 87 54 THR CA C 57.560 0.3 1 248 87 54 THR CB C 69.744 0.3 1 249 87 54 THR N N 108.918 0.3 1 250 88 55 VAL H H 8.328 0.020 1 251 88 55 VAL C C 173.654 0.3 1 252 88 55 VAL CA C 58.203 0.3 1 253 88 55 VAL CB C 32.957 0.3 1 254 88 55 VAL N N 124.724 0.3 1 255 89 56 PRO C C 176.417 0.3 1 256 89 56 PRO CA C 61.489 0.3 1 257 89 56 PRO CB C 31.744 0.3 1 258 90 57 THR H H 9.253 0.020 1 259 90 57 THR C C 177.968 0.3 1 260 90 57 THR CA C 66.454 0.3 1 261 90 57 THR CB C 67.861 0.3 1 262 90 57 THR N N 121.005 0.3 1 263 91 58 TYR H H 8.809 0.020 1 264 91 58 TYR C C 175.552 0.3 1 265 91 58 TYR CA C 59.203 0.3 1 266 91 58 TYR CB C 35.389 0.3 1 267 91 58 TYR N N 118.415 0.3 1 268 92 59 LEU H H 7.314 0.020 1 269 92 59 LEU C C 176.917 0.3 1 270 92 59 LEU CA C 52.881 0.3 1 271 92 59 LEU CB C 43.938 0.3 1 272 92 59 LEU N N 122.400 0.3 1 273 93 60 LYS H H 7.307 0.020 1 274 93 60 LYS C C 178.000 0.3 1 275 93 60 LYS CA C 59.453 0.3 1 276 93 60 LYS CB C 31.195 0.3 1 277 93 60 LYS N N 119.212 0.3 1 278 94 61 ASP H H 8.610 0.020 1 279 94 61 ASP C C 177.874 0.3 1 280 94 61 ASP CA C 56.024 0.3 1 281 94 61 ASP CB C 39.232 0.3 1 282 94 61 ASP N N 117.419 0.3 1 283 95 62 LEU H H 7.610 0.020 1 284 95 62 LEU C C 178.141 0.3 1 285 95 62 LEU CA C 55.810 0.3 1 286 95 62 LEU CB C 41.507 0.3 1 287 95 62 LEU N N 119.012 0.3 1 288 96 63 VAL H H 7.166 0.020 1 289 96 63 VAL C C 176.996 0.3 1 290 96 63 VAL CA C 65.204 0.3 1 291 96 63 VAL CB C 30.134 0.3 1 292 96 63 VAL N N 114.430 0.3 1 293 97 64 GLY H H 7.729 0.020 1 294 97 64 GLY C C 175.144 0.3 1 295 97 64 GLY CA C 45.560 0.3 1 296 97 64 GLY N N 104.202 0.3 1 297 98 65 THR H H 7.559 0.020 1 298 98 65 THR C C 174.093 0.3 1 299 98 65 THR CA C 61.346 0.3 1 300 98 65 THR CB C 68.646 0.3 1 301 98 65 THR N N 108.984 0.3 1 302 99 66 VAL H H 7.033 0.020 1 303 99 66 VAL C C 174.674 0.3 1 304 99 66 VAL CA C 58.953 0.3 1 305 99 66 VAL CB C 33.271 0.3 1 306 99 66 VAL N N 113.168 0.3 1 307 100 67 LYS H H 7.892 0.020 1 308 100 67 LYS C C 175.741 0.3 1 309 100 67 LYS CA C 54.203 0.3 1 310 100 67 LYS CB C 32.094 0.3 1 311 100 67 LYS N N 120.872 0.3 1 312 101 68 ASN H H 8.432 0.020 1 313 101 68 ASN C C 177.529 0.3 1 314 101 68 ASN CA C 53.024 0.3 1 315 101 68 ASN CB C 38.212 0.3 1 316 101 68 ASN N N 120.009 0.3 1 317 102 69 VAL H H 6.922 0.020 1 318 102 69 VAL C C 173.936 0.3 1 319 102 69 VAL CA C 59.810 0.3 1 320 102 69 VAL CB C 28.800 0.3 1 321 102 69 VAL N N 115.293 0.3 1 322 103 70 GLY H H 8.069 0.020 1 323 103 70 GLY C C 172.101 0.3 1 324 103 70 GLY CA C 44.738 0.3 1 325 103 70 GLY N N 109.648 0.3 1 326 104 71 SER H H 8.113 0.020 1 327 104 71 SER C C 173.748 0.3 1 328 104 71 SER CA C 54.953 0.3 1 329 104 71 SER CB C 65.665 0.3 1 330 104 71 SER N N 116.531 0.3 1 331 105 72 MET H H 9.120 0.020 1 332 105 72 MET C C 176.117 0.3 1 333 105 72 MET CA C 55.989 0.3 1 334 105 72 MET CB C 30.526 0.3 1 335 105 72 MET N N 112.637 0.3 1 336 106 73 LYS H H 7.403 0.020 1 337 106 73 LYS C C 174.266 0.3 1 338 106 73 LYS CA C 54.060 0.3 1 339 106 73 LYS CB C 33.428 0.3 1 340 106 73 LYS N N 108.453 0.3 1 341 107 74 GLU H H 7.240 0.020 1 342 107 74 GLU C C 172.775 0.3 1 343 107 74 GLU CA C 52.631 0.3 1 344 107 74 GLU CB C 30.996 0.3 1 345 107 74 GLU N N 121.337 0.3 1 346 108 75 PRO C C 174.511 0.3 1 347 108 75 PRO CA C 61.132 0.3 1 348 108 75 PRO CB C 32.529 0.3 1 349 109 76 ASP H H 8.602 0.020 1 350 109 76 ASP C C 176.258 0.3 1 351 109 76 ASP CA C 51.703 0.3 1 352 109 76 ASP CB C 39.075 0.3 1 353 109 76 ASP N N 121.536 0.3 1 354 110 77 LEU H H 8.314 0.020 1 355 110 77 LEU C C 179.553 0.3 1 356 110 77 LEU CA C 57.739 0.3 1 357 110 77 LEU CB C 39.624 0.3 1 358 110 77 LEU N N 122.798 0.3 1 359 111 78 GLU H H 8.084 0.020 1 360 111 78 GLU C C 179.239 0.3 1 361 111 78 GLU CA C 59.132 0.3 1 362 111 78 GLU CB C 28.329 0.3 1 363 111 78 GLU N N 119.544 0.3 1 364 112 79 ALA H H 7.603 0.020 1 365 112 79 ALA C C 180.400 0.3 1 366 112 79 ALA CA C 53.667 0.3 1 367 112 79 ALA CB C 17.113 0.3 1 368 112 79 ALA N N 122.732 0.3 1 369 113 80 ILE H H 7.855 0.020 1 370 113 80 ILE C C 177.482 0.3 1 371 113 80 ILE CA C 65.346 0.3 1 372 113 80 ILE CB C 37.271 0.3 1 373 113 80 ILE N N 115.227 0.3 1 374 114 81 ALA H H 8.114 0.020 1 375 114 81 ALA C C 181.373 0.3 1 376 114 81 ALA CA C 54.882 0.3 1 377 114 81 ALA CB C 16.721 0.3 1 378 114 81 ALA N N 119.743 0.3 1 379 115 82 ALA H H 7.581 0.020 1 380 115 82 ALA C C 179.067 0.3 1 381 115 82 ALA CA C 53.560 0.3 1 382 115 82 ALA CB C 17.035 0.3 1 383 115 82 ALA N N 118.415 0.3 1 384 116 83 LEU H H 7.203 0.020 1 385 116 83 LEU C C 175.945 0.3 1 386 116 83 LEU CA C 54.846 0.3 1 387 116 83 LEU CB C 41.585 0.3 1 388 116 83 LEU N N 116.422 0.3 1 389 117 84 GLU H H 7.551 0.020 1 390 117 84 GLU C C 172.618 0.3 1 391 117 84 GLU CA C 55.953 0.3 1 392 117 84 GLU CB C 27.545 0.3 1 393 117 84 GLU N N 112.039 0.3 1 394 118 85 PRO C C 175.949 0.3 1 395 118 85 PRO CA C 62.132 0.3 1 396 118 85 PRO CB C 31.509 0.3 1 397 119 86 ASP H H 8.980 0.020 1 398 119 86 ASP C C 175.694 0.3 1 399 119 86 ASP CA C 53.310 0.3 1 400 119 86 ASP CB C 41.585 0.3 1 401 119 86 ASP N N 116.157 0.3 1 402 120 87 LEU H H 6.922 0.020 1 403 120 87 LEU C C 174.203 0.3 1 404 120 87 LEU CA C 54.310 0.3 1 405 120 87 LEU CB C 44.880 0.3 1 406 120 87 LEU N N 116.090 0.3 1 407 121 88 ILE H H 9.076 0.020 1 408 121 88 ILE C C 174.016 0.3 1 409 121 88 ILE CA C 59.453 0.3 1 410 121 88 ILE CB C 38.291 0.3 1 411 121 88 ILE N N 125.986 0.3 1 412 122 89 ILE H H 9.113 0.020 1 413 122 89 ILE C C 176.056 0.3 1 414 122 89 ILE CA C 59.775 0.3 1 415 122 89 ILE CB C 35.624 0.3 1 416 122 89 ILE N N 126.451 0.3 1 417 123 90 ALA H H 8.706 0.020 1 418 123 90 ALA C C 172.353 0.3 1 419 123 90 ALA CA C 50.167 0.3 1 420 123 90 ALA CB C 18.290 0.3 1 421 123 90 ALA N N 126.783 0.3 1 422 124 91 SER H H 7.559 0.020 1 423 124 91 SER C C 172.885 0.3 1 424 124 91 SER CA C 54.989 0.3 1 425 124 91 SER CB C 64.332 0.3 1 426 124 91 SER N N 111.043 0.3 1 427 125 92 PRO C C 179.059 0.3 1 428 125 92 PRO CA C 65.954 0.3 1 429 125 92 PRO CB C 30.960 0.3 1 430 126 93 ARG H H 7.374 0.020 1 431 126 93 ARG C C 177.168 0.3 1 432 126 93 ARG CA C 58.346 0.3 1 433 126 93 ARG CB C 31.388 0.3 1 434 126 93 ARG N N 113.899 0.3 1 435 127 94 THR H H 7.640 0.020 1 436 127 94 THR C C 175.348 0.3 1 437 127 94 THR CA C 59.775 0.3 1 438 127 94 THR CB C 68.646 0.3 1 439 127 94 THR N N 104.534 0.3 1 440 128 95 GLN H H 7.226 0.020 1 441 128 95 GLN C C 177.984 0.3 1 442 128 95 GLN CA C 58.882 0.3 1 443 128 95 GLN CB C 27.624 0.3 1 444 128 95 GLN N N 123.329 0.3 1 445 129 96 LYS H H 8.513 0.020 1 446 129 96 LYS C C 176.729 0.3 1 447 129 96 LYS CA C 57.203 0.3 1 448 129 96 LYS CB C 30.134 0.3 1 449 129 96 LYS N N 116.157 0.3 1 450 130 97 PHE H H 7.781 0.020 1 451 130 97 PHE C C 175.129 0.3 1 452 130 97 PHE CA C 57.560 0.3 1 453 130 97 PHE CB C 38.212 0.3 1 454 130 97 PHE N N 115.825 0.3 1 455 131 98 VAL H H 7.307 0.020 1 456 131 98 VAL C C 176.196 0.3 1 457 131 98 VAL CA C 67.632 0.3 1 458 131 98 VAL CB C 30.761 0.3 1 459 131 98 VAL N N 119.677 0.3 1 460 132 99 ASP H H 8.410 0.020 1 461 132 99 ASP C C 178.706 0.3 1 462 132 99 ASP CA C 57.382 0.3 1 463 132 99 ASP CB C 38.761 0.3 1 464 132 99 ASP N N 117.219 0.3 1 465 133 100 LYS H H 7.218 0.020 1 466 133 100 LYS C C 180.510 0.3 1 467 133 100 LYS CA C 56.917 0.3 1 468 133 100 LYS CB C 30.683 0.3 1 469 133 100 LYS N N 117.950 0.3 1 470 134 101 PHE H H 8.418 0.020 1 471 134 101 PHE C C 178.172 0.3 1 472 134 101 PHE CA C 57.167 0.3 1 473 134 101 PHE CB C 36.957 0.3 1 474 134 101 PHE N N 119.786 0.3 1 475 135 102 LYS H H 8.373 0.020 1 476 135 102 LYS C C 178.674 0.3 1 477 135 102 LYS CA C 58.453 0.3 1 478 135 102 LYS CB C 31.859 0.3 1 479 135 102 LYS N N 116.290 0.3 1 480 136 103 GLU H H 7.048 0.020 1 481 136 103 GLU C C 177.027 0.3 1 482 136 103 GLU CA C 57.417 0.3 1 483 136 103 GLU CB C 29.035 0.3 1 484 136 103 GLU N N 115.692 0.3 1 485 137 104 ILE H H 7.880 0.020 1 486 137 104 ILE C C 175.725 0.3 1 487 137 104 ILE CA C 62.739 0.3 1 488 137 104 ILE CB C 38.369 0.3 1 489 137 104 ILE N N 119.209 0.3 1 490 138 105 ALA H H 8.484 0.020 1 491 138 105 ALA C C 172.289 0.3 1 492 138 105 ALA CA C 50.131 0.3 1 493 138 105 ALA CB C 19.231 0.3 1 494 138 105 ALA N N 122.001 0.3 1 495 139 106 PRO C C 175.073 0.3 1 496 139 106 PRO CA C 62.953 0.3 1 497 139 106 PRO CB C 30.881 0.3 1 498 140 107 THR H H 8.225 0.020 1 499 140 107 THR C C 172.179 0.3 1 500 140 107 THR CA C 61.239 0.3 1 501 140 107 THR CB C 71.469 0.3 1 502 140 107 THR N N 120.274 0.3 1 503 141 108 VAL H H 8.269 0.020 1 504 141 108 VAL C C 173.450 0.3 1 505 141 108 VAL CA C 57.775 0.3 1 506 141 108 VAL CB C 33.898 0.3 1 507 141 108 VAL N N 114.031 0.3 1 508 142 109 LEU H H 6.663 0.020 1 509 142 109 LEU C C 174.611 0.3 1 510 142 109 LEU CA C 56.167 0.3 1 511 142 109 LEU CB C 43.154 0.3 1 512 142 109 LEU N N 119.677 0.3 1 513 143 110 PHE H H 10.645 0.020 1 514 143 110 PHE C C 173.842 0.3 1 515 143 110 PHE CA C 57.024 0.3 1 516 143 110 PHE CB C 38.291 0.3 1 517 143 110 PHE N N 132.893 0.3 1 518 144 111 GLN H H 8.765 0.020 1 519 144 111 GLN C C 175.113 0.3 1 520 144 111 GLN CA C 53.953 0.3 1 521 144 111 GLN CB C 31.702 0.3 1 522 144 111 GLN N N 120.407 0.3 1 523 145 112 ALA H H 8.735 0.020 1 524 145 112 ALA C C 177.984 0.3 1 525 145 112 ALA CA C 50.703 0.3 1 526 145 112 ALA CB C 19.152 0.3 1 527 145 112 ALA N N 127.845 0.3 1 528 146 113 SER H H 8.691 0.020 1 529 146 113 SER C C 176.086 0.3 1 530 146 113 SER CA C 56.596 0.3 1 531 146 113 SER CB C 62.998 0.3 1 532 146 113 SER N N 116.290 0.3 1 533 147 114 LYS H H 8.728 0.020 1 534 147 114 LYS C C 177.121 0.3 1 535 147 114 LYS CA C 57.739 0.3 1 536 147 114 LYS CB C 31.467 0.3 1 537 147 114 LYS N N 124.326 0.3 1 538 148 115 ASP H H 7.906 0.020 1 539 148 115 ASP C C 176.305 0.3 1 540 148 115 ASP CA C 54.882 0.3 1 541 148 115 ASP CB C 41.115 0.3 1 542 148 115 ASP N N 114.828 0.3 1 543 149 116 ASP H H 7.115 0.020 1 544 149 116 ASP C C 175.521 0.3 1 545 149 116 ASP CA C 53.453 0.3 1 546 149 116 ASP CB C 39.154 0.3 1 547 149 116 ASP N N 117.286 0.3 1 548 150 117 TYR H H 8.713 0.020 1 549 150 117 TYR C C 178.190 0.3 1 550 150 117 TYR CA C 62.632 0.3 1 551 150 117 TYR CB C 37.977 0.3 1 552 150 117 TYR N N 126.252 0.3 1 553 151 118 TRP H H 8.898 0.020 1 554 151 118 TRP C C 176.996 0.3 1 555 151 118 TRP CA C 58.453 0.3 1 556 151 118 TRP CB C 30.996 0.3 1 557 151 118 TRP N N 121.337 0.3 1 558 152 119 THR H H 8.188 0.020 1 559 152 119 THR C C 177.513 0.3 1 560 152 119 THR CA C 66.454 0.3 1 561 152 119 THR CB C 66.454 0.3 1 562 152 119 THR N N 115.957 0.3 1 563 153 120 SER H H 7.122 0.020 1 564 153 120 SER C C 175.886 0.3 1 565 153 120 SER CA C 60.168 0.3 1 566 153 120 SER CB C 61.979 0.3 1 567 153 120 SER N N 113.367 0.3 1 568 154 121 THR H H 7.810 0.020 1 569 154 121 THR C C 175.839 0.3 1 570 154 121 THR CA C 67.096 0.3 1 571 154 121 THR CB C 67.096 0.3 1 572 154 121 THR N N 122.599 0.3 1 573 155 122 LYS H H 8.143 0.020 1 574 155 122 LYS C C 177.827 0.3 1 575 155 122 LYS CA C 60.989 0.3 1 576 155 122 LYS CB C 30.447 0.3 1 577 155 122 LYS N N 120.341 0.3 1 578 156 123 ALA H H 7.033 0.020 1 579 156 123 ALA C C 180.510 0.3 1 580 156 123 ALA CA C 54.381 0.3 1 581 156 123 ALA CB C 16.486 0.3 1 582 156 123 ALA N N 118.880 0.3 1 583 157 124 ASN H H 7.736 0.020 1 584 157 124 ASN C C 177.325 0.3 1 585 157 124 ASN CA C 54.810 0.3 1 586 157 124 ASN CB C 36.801 0.3 1 587 157 124 ASN N N 118.481 0.3 1 588 158 125 ILE H H 8.277 0.020 1 589 158 125 ILE C C 177.498 0.3 1 590 158 125 ILE CA C 65.704 0.3 1 591 158 125 ILE CB C 36.686 0.3 1 592 158 125 ILE N N 122.997 0.3 1 593 159 126 GLU H H 8.358 0.020 1 594 159 126 GLU C C 179.412 0.3 1 595 159 126 GLU CA C 60.239 0.3 1 596 159 126 GLU CB C 28.722 0.3 1 597 159 126 GLU N N 118.016 0.3 1 598 160 127 SER H H 8.158 0.020 1 599 160 127 SER C C 177.480 0.3 1 600 160 127 SER CA C 60.560 0.3 1 601 160 127 SER CB C 62.685 0.3 1 602 160 127 SER N N 115.028 0.3 1 603 161 128 LEU H H 7.670 0.020 1 604 161 128 LEU C C 177.765 0.3 1 605 161 128 LEU CA C 57.275 0.3 1 606 161 128 LEU CB C 40.137 0.3 1 607 161 128 LEU N N 119.599 0.3 1 608 162 129 ALA H H 8.654 0.020 1 609 162 129 ALA C C 180.008 0.3 1 610 162 129 ALA CA C 54.310 0.3 1 611 162 129 ALA CB C 18.603 0.3 1 612 162 129 ALA N N 117.086 0.3 1 613 163 130 SER H H 7.744 0.020 1 614 163 130 SER C C 175.995 0.3 1 615 163 130 SER CA C 59.989 0.3 1 616 163 130 SER CB C 62.214 0.3 1 617 163 130 SER N N 110.976 0.3 1 618 164 131 ALA H H 7.551 0.020 1 619 164 131 ALA C C 175.301 0.3 1 620 164 131 ALA CA C 52.667 0.3 1 621 164 131 ALA CB C 16.015 0.3 1 622 164 131 ALA N N 124.259 0.3 1 623 165 132 PHE H H 7.033 0.020 1 624 165 132 PHE C C 176.980 0.3 1 625 165 132 PHE CA C 56.239 0.3 1 626 165 132 PHE CB C 37.742 0.3 1 627 165 132 PHE N N 108.519 0.3 1 628 166 133 GLY H H 7.240 0.020 1 629 166 133 GLY C C 174.501 0.3 1 630 166 133 GLY CA C 43.631 0.3 1 631 166 133 GLY N N 107.921 0.3 1 632 167 134 GLU H H 8.565 0.020 1 633 167 134 GLU C C 179.381 0.3 1 634 167 134 GLU CA C 59.417 0.3 1 635 167 134 GLU CB C 28.879 0.3 1 636 167 134 GLU N N 118.747 0.3 1 637 168 135 THR H H 8.457 0.020 1 638 168 135 THR C C 176.949 0.3 1 639 168 135 THR CA C 65.632 0.3 1 640 168 135 THR CB C 67.626 0.3 1 641 168 135 THR N N 114.668 0.3 1 642 169 136 SER H H 7.603 0.020 1 643 169 136 SER C C 176.511 0.3 1 644 169 136 SER CA C 60.953 0.3 1 645 169 136 SER CB C 61.743 0.3 1 646 169 136 SER N N 118.680 0.3 1 647 170 137 THR H H 8.025 0.020 1 648 170 137 THR C C 176.527 0.3 1 649 170 137 THR CA C 66.954 0.3 1 650 170 137 THR CB C 67.548 0.3 1 651 170 137 THR N N 117.817 0.3 1 652 171 138 GLN H H 7.832 0.020 1 653 171 138 GLN C C 178.392 0.3 1 654 171 138 GLN CA C 58.453 0.3 1 655 171 138 GLN CB C 26.839 0.3 1 656 171 138 GLN N N 119.411 0.3 1 657 172 139 LYS H H 8.107 0.020 1 658 172 139 LYS C C 178.863 0.3 1 659 172 139 LYS CA C 58.275 0.3 1 660 172 139 LYS CB C 30.839 0.3 1 661 172 139 LYS N N 121.034 0.3 1 662 173 140 ALA H H 8.669 0.020 1 663 173 140 ALA C C 179.239 0.3 1 664 173 140 ALA CA C 55.132 0.3 1 665 173 140 ALA CB C 16.486 0.3 1 666 173 140 ALA N N 120.009 0.3 1 667 174 141 LYS H H 8.050 0.020 1 668 174 141 LYS C C 180.097 0.3 1 669 174 141 LYS CA C 59.989 0.3 1 670 174 141 LYS CB C 31.232 0.3 1 671 174 141 LYS N N 116.146 0.3 1 672 175 142 GLU H H 8.010 0.020 1 673 175 142 GLU C C 179.961 0.3 1 674 175 142 GLU CA C 58.882 0.3 1 675 175 142 GLU CB C 28.643 0.3 1 676 175 142 GLU N N 120.673 0.3 1 677 176 143 GLU H H 8.425 0.020 1 678 176 143 GLU C C 180.589 0.3 1 679 176 143 GLU CA C 58.025 0.3 1 680 176 143 GLU CB C 28.764 0.3 1 681 176 143 GLU N N 118.880 0.3 1 682 177 144 LEU H H 9.076 0.020 1 683 177 144 LEU C C 178.235 0.3 1 684 177 144 LEU CA C 57.632 0.3 1 685 177 144 LEU CB C 40.722 0.3 1 686 177 144 LEU N N 120.872 0.3 1 687 178 145 ALA H H 7.788 0.020 1 688 178 145 ALA C C 181.452 0.3 1 689 178 145 ALA CA C 54.703 0.3 1 690 178 145 ALA CB C 16.721 0.3 1 691 178 145 ALA N N 120.673 0.3 1 692 179 146 LYS H H 7.301 0.020 1 693 179 146 LYS C C 180.149 0.3 1 694 179 146 LYS CA C 59.346 0.3 1 695 179 146 LYS CB C 31.545 0.3 1 696 179 146 LYS N N 118.329 0.3 1 697 180 147 LEU H H 7.840 0.020 1 698 180 147 LEU C C 178.769 0.3 1 699 180 147 LEU CA C 57.596 0.3 1 700 180 147 LEU CB C 40.644 0.3 1 701 180 147 LEU N N 120.540 0.3 1 702 181 148 ASP H H 9.076 0.020 1 703 181 148 ASP C C 179.192 0.3 1 704 181 148 ASP CA C 57.453 0.3 1 705 181 148 ASP CB C 40.095 0.3 1 706 181 148 ASP N N 119.079 0.3 1 707 182 149 LYS H H 7.455 0.020 1 708 182 149 LYS C C 179.114 0.3 1 709 182 149 LYS CA C 59.060 0.3 1 710 182 149 LYS CB C 31.153 0.3 1 711 182 149 LYS N N 119.544 0.3 1 712 183 150 SER H H 7.707 0.020 1 713 183 150 SER C C 176.730 0.3 1 714 183 150 SER CA C 61.739 0.3 1 715 183 150 SER CB C 62.057 0.3 1 716 183 150 SER N N 116.555 0.3 1 717 184 151 ILE H H 8.654 0.020 1 718 184 151 ILE C C 177.137 0.3 1 719 184 151 ILE CA C 65.418 0.3 1 720 184 151 ILE CB C 37.114 0.3 1 721 184 151 ILE N N 122.200 0.3 1 722 185 152 GLN H H 8.091 0.020 1 723 185 152 GLN C C 178.878 0.3 1 724 185 152 GLN CA C 58.096 0.3 1 725 185 152 GLN CB C 27.310 0.3 1 726 185 152 GLN N N 117.817 0.3 1 727 186 153 GLU H H 7.655 0.020 1 728 186 153 GLU C C 179.098 0.3 1 729 186 153 GLU CA C 59.080 0.3 1 730 186 153 GLU CB C 28.643 0.3 1 731 186 153 GLU N N 119.477 0.3 1 732 187 154 VAL H H 7.300 0.020 1 733 187 154 VAL C C 177.231 0.3 1 734 187 154 VAL CA C 65.596 0.3 1 735 187 154 VAL CB C 30.960 0.3 1 736 187 154 VAL N N 119.278 0.3 1 737 188 155 ALA H H 8.943 0.020 1 738 188 155 ALA C C 180.353 0.3 1 739 188 155 ALA CA C 54.703 0.3 1 740 188 155 ALA CB C 17.192 0.3 1 741 188 155 ALA N N 121.403 0.3 1 742 189 156 THR H H 8.203 0.020 1 743 189 156 THR C C 177.278 0.3 1 744 189 156 THR CA C 65.918 0.3 1 745 189 156 THR CB C 68.332 0.3 1 746 189 156 THR N N 111.773 0.3 1 747 190 157 LYS H H 7.070 0.020 1 748 190 157 LYS C C 179.302 0.3 1 749 190 157 LYS CA C 58.703 0.3 1 750 190 157 LYS CB C 30.996 0.3 1 751 190 157 LYS N N 121.536 0.3 1 752 191 158 ASN H H 7.855 0.020 1 753 191 158 ASN C C 178.777 0.3 1 754 191 158 ASN CA C 53.917 0.3 1 755 191 158 ASN CB C 36.986 0.3 1 756 191 158 ASN N N 117.568 0.3 1 757 192 159 GLU H H 8.166 0.020 1 758 192 159 GLU C C 177.984 0.3 1 759 192 159 GLU CA C 58.775 0.3 1 760 192 159 GLU CB C 28.565 0.3 1 761 192 159 GLU N N 121.337 0.3 1 762 193 160 SER H H 7.277 0.020 1 763 193 160 SER C C 173.685 0.3 1 764 193 160 SER CA C 57.703 0.3 1 765 193 160 SER CB C 62.998 0.3 1 766 193 160 SER N N 110.578 0.3 1 767 194 161 SER H H 7.396 0.020 1 768 194 161 SER C C 174.329 0.3 1 769 194 161 SER CA C 56.203 0.3 1 770 194 161 SER CB C 63.861 0.3 1 771 194 161 SER N N 115.426 0.3 1 772 195 162 ASP H H 8.528 0.020 1 773 195 162 ASP C C 176.243 0.3 1 774 195 162 ASP CA C 52.667 0.3 1 775 195 162 ASP CB C 40.252 0.3 1 776 195 162 ASP N N 124.990 0.3 1 777 196 163 LYS H H 7.662 0.020 1 778 196 163 LYS C C 175.646 0.3 1 779 196 163 LYS CA C 55.382 0.3 1 780 196 163 LYS CB C 32.016 0.3 1 781 196 163 LYS N N 119.450 0.3 1 782 197 164 LYS H H 9.860 0.020 1 783 197 164 LYS C C 175.945 0.3 1 784 197 164 LYS CA C 55.096 0.3 1 785 197 164 LYS CB C 33.193 0.3 1 786 197 164 LYS N N 122.267 0.3 1 787 198 165 ALA H H 9.771 0.020 1 788 198 165 ALA C C 176.887 0.3 1 789 198 165 ALA CA C 49.453 0.3 1 790 198 165 ALA CB C 21.349 0.3 1 791 198 165 ALA N N 125.654 0.3 1 792 199 166 LEU H H 8.521 0.020 1 793 199 166 LEU C C 172.760 0.3 1 794 199 166 LEU CA C 52.346 0.3 1 795 199 166 LEU CB C 44.723 0.3 1 796 199 166 LEU N N 127.912 0.3 1 797 200 167 ALA H H 8.565 0.020 1 798 200 167 ALA C C 175.333 0.3 1 799 200 167 ALA CA C 49.953 0.3 1 800 200 167 ALA CB C 18.211 0.3 1 801 200 167 ALA N N 129.771 0.3 1 802 201 168 ILE H H 8.728 0.020 1 803 201 168 ILE C C 174.862 0.3 1 804 201 168 ILE CA C 57.203 0.3 1 805 201 168 ILE CB C 41.507 0.3 1 806 201 168 ILE N N 114.164 0.3 1 807 202 169 LEU H H 9.535 0.020 1 808 202 169 LEU C C 177.059 0.3 1 809 202 169 LEU CA C 52.131 0.3 1 810 202 169 LEU CB C 45.429 0.3 1 811 202 169 LEU N N 120.938 0.3 1 812 203 170 LEU H H 8.210 0.020 1 813 203 170 LEU C C 176.039 0.3 1 814 203 170 LEU CA C 53.203 0.3 1 815 203 170 LEU CB C 42.762 0.3 1 816 203 170 LEU N N 122.665 0.3 1 817 204 171 ASN H H 8.900 0.020 1 818 204 171 ASN C C 173.764 0.3 1 819 204 171 ASN CA C 52.167 0.3 1 820 204 171 ASN CB C 40.644 0.3 1 821 204 171 ASN N N 121.106 0.3 1 822 205 172 GLU H H 7.921 0.020 1 823 205 172 GLU C C 175.474 0.3 1 824 205 172 GLU CA C 56.810 0.3 1 825 205 172 GLU CB C 27.310 0.3 1 826 205 172 GLU N N 123.529 0.3 1 827 206 173 GLY H H 8.595 0.020 1 828 206 173 GLY C C 173.152 0.3 1 829 206 173 GLY CA C 45.417 0.3 1 830 206 173 GLY N N 105.464 0.3 1 831 207 174 LYS H H 7.559 0.020 1 832 207 174 LYS C C 175.113 0.3 1 833 207 174 LYS CA C 53.524 0.3 1 834 207 174 LYS CB C 33.428 0.3 1 835 207 174 LYS N N 118.149 0.3 1 836 208 175 MET H H 8.684 0.020 1 837 208 175 MET C C 175.160 0.3 1 838 208 175 MET CA C 53.810 0.3 1 839 208 175 MET CB C 35.467 0.3 1 840 208 175 MET N N 119.278 0.3 1 841 209 176 ALA H H 8.476 0.020 1 842 209 176 ALA C C 175.066 0.3 1 843 209 176 ALA CA C 50.096 0.3 1 844 209 176 ALA CB C 21.113 0.3 1 845 209 176 ALA N N 122.931 0.3 1 846 210 177 ALA H H 8.774 0.020 1 847 210 177 ALA C C 176.792 0.3 1 848 210 177 ALA CA C 50.453 0.3 1 849 210 177 ALA CB C 21.274 0.3 1 850 210 177 ALA N N 123.329 0.3 1 851 211 178 PHE H H 7.322 0.020 1 852 211 178 PHE C C 174.909 0.3 1 853 211 178 PHE CA C 56.703 0.3 1 854 211 178 PHE CB C 42.683 0.3 1 855 211 178 PHE N N 115.692 0.3 1 856 212 179 GLY H H 8.972 0.020 1 857 212 179 GLY C C 173.215 0.3 1 858 212 179 GLY CA C 42.667 0.3 1 859 212 179 GLY N N 106.660 0.3 1 860 213 180 ALA H H 8.513 0.020 1 861 213 180 ALA C C 178.078 0.3 1 862 213 180 ALA CA C 54.060 0.3 1 863 213 180 ALA CB C 18.133 0.3 1 864 213 180 ALA N N 120.141 0.3 1 865 214 181 LYS H H 8.104 0.020 1 866 214 181 LYS C C 174.815 0.3 1 867 214 181 LYS CA C 54.953 0.3 1 868 214 181 LYS CB C 30.134 0.3 1 869 214 181 LYS N N 116.682 0.3 1 870 215 182 SER H H 7.914 0.020 1 871 215 182 SER C C 176.352 0.3 1 872 215 182 SER CA C 57.417 0.3 1 873 215 182 SER CB C 66.685 0.3 1 874 215 182 SER N N 114.496 0.3 1 875 216 183 ARG C C 176.027 0.3 1 876 216 183 ARG CA C 57.060 0.3 1 877 216 183 ARG CB C 28.136 0.3 1 878 217 184 PHE H H 7.744 0.020 1 879 217 184 PHE C C 175.694 0.3 1 880 217 184 PHE CA C 56.703 0.3 1 881 217 184 PHE CB C 37.350 0.3 1 882 217 184 PHE N N 117.817 0.3 1 883 218 185 SER H H 7.630 0.020 1 884 218 185 SER C C 175.706 0.3 1 885 218 185 SER CA C 62.561 0.3 1 886 218 185 SER CB C 64.096 0.3 1 887 218 185 SER N N 116.394 0.3 1 888 219 186 PHE H H 8.772 0.020 1 889 219 186 PHE C C 177.388 0.3 1 890 219 186 PHE CA C 59.775 0.3 1 891 219 186 PHE CB C 39.588 0.3 1 892 219 186 PHE N N 123.197 0.3 1 893 220 187 LEU H H 7.499 0.020 1 894 220 187 LEU C C 175.427 0.3 1 895 220 187 LEU CA C 57.275 0.3 1 896 220 187 LEU CB C 41.507 0.3 1 897 220 187 LEU N N 112.039 0.3 1 898 221 188 TYR H H 6.708 0.020 1 899 221 188 TYR C C 177.262 0.3 1 900 221 188 TYR CA C 58.453 0.3 1 901 221 188 TYR CB C 40.252 0.3 1 902 221 188 TYR N N 113.168 0.3 1 903 222 189 GLN H H 9.039 0.020 1 904 222 189 GLN C C 177.404 0.3 1 905 222 189 GLN CA C 57.703 0.3 1 906 222 189 GLN CB C 28.251 0.3 1 907 222 189 GLN N N 117.485 0.3 1 908 223 190 THR H H 6.833 0.020 1 909 223 190 THR C C 175.113 0.3 1 910 223 190 THR CA C 64.418 0.3 1 911 223 190 THR CB C 67.312 0.3 1 912 223 190 THR N N 111.574 0.3 1 913 224 191 LEU H H 7.403 0.020 1 914 224 191 LEU C C 175.552 0.3 1 915 224 191 LEU CA C 54.203 0.3 1 916 224 191 LEU CB C 38.761 0.3 1 917 224 191 LEU N N 113.806 0.3 1 918 225 192 LYS H H 6.404 0.020 1 919 225 192 LYS C C 178.471 0.3 1 920 225 192 LYS CA C 56.132 0.3 1 921 225 192 LYS CB C 27.153 0.3 1 922 225 192 LYS N N 105.331 0.3 1 923 226 193 PHE H H 7.958 0.020 1 924 226 193 PHE C C 175.929 0.3 1 925 226 193 PHE CA C 61.096 0.3 1 926 226 193 PHE CB C 36.565 0.3 1 927 226 193 PHE N N 115.493 0.3 1 928 227 194 LYS H H 8.928 0.020 1 929 227 194 LYS C C 174.376 0.3 1 930 227 194 LYS CA C 53.524 0.3 1 931 227 194 LYS CB C 31.545 0.3 1 932 227 194 LYS N N 124.326 0.3 1 933 228 195 PRO C C 176.996 0.3 1 934 228 195 PRO CA C 61.560 0.3 1 935 228 195 PRO CB C 30.411 0.3 1 936 229 196 THR H H 8.484 0.020 1 937 229 196 THR C C 175.035 0.3 1 938 229 196 THR CA C 61.810 0.3 1 939 229 196 THR CB C 69.665 0.3 1 940 229 196 THR N N 107.921 0.3 1 941 230 197 ASP H H 8.861 0.020 1 942 230 197 ASP C C 175.976 0.3 1 943 230 197 ASP CA C 54.632 0.3 1 944 230 197 ASP CB C 39.860 0.3 1 945 230 197 ASP N N 118.880 0.3 1 946 231 198 THR H H 7.314 0.020 1 947 231 198 THR C C 171.960 0.3 1 948 231 198 THR CA C 62.989 0.3 1 949 231 198 THR CB C 69.038 0.3 1 950 231 198 THR N N 117.153 0.3 1 951 232 199 LYS H H 8.069 0.020 1 952 232 199 LYS C C 175.005 0.3 1 953 232 199 LYS CA C 54.703 0.3 1 954 232 199 LYS CB C 31.388 0.3 1 955 232 199 LYS N N 126.119 0.3 1 956 233 200 PHE H H 8.136 0.020 1 957 233 200 PHE C C 176.258 0.3 1 958 233 200 PHE CA C 55.953 0.3 1 959 233 200 PHE CB C 41.036 0.3 1 960 233 200 PHE N N 121.005 0.3 1 961 234 201 GLU H H 8.817 0.020 1 962 234 201 GLU C C 176.996 0.3 1 963 234 201 GLU CA C 55.453 0.3 1 964 234 201 GLU CB C 29.114 0.3 1 965 234 201 GLU N N 123.396 0.3 1 966 235 202 ASP H H 8.891 0.020 1 967 235 202 ASP C C 175.146 0.3 1 968 235 202 ASP CA C 55.310 0.3 1 969 235 202 ASP CB C 41.115 0.3 1 970 235 202 ASP N N 126.916 0.3 1 971 236 203 SER H H 7.440 0.020 1 972 236 203 SER C C 175.552 0.3 1 973 236 203 SER CA C 57.096 0.3 1 974 236 203 SER CB C 63.469 0.3 1 975 236 203 SER N N 116.290 0.3 1 976 237 204 ARG C C 176.955 0.3 1 977 237 204 ARG CA C 58.703 0.3 1 978 237 204 ARG CB C 28.685 0.3 1 979 238 205 HIS H H 8.129 0.020 1 980 238 205 HIS C C 173.623 0.3 1 981 238 205 HIS CA C 56.417 0.3 1 982 238 205 HIS CB C 27.467 0.3 1 983 238 205 HIS N N 111.375 0.3 1 984 239 206 GLY H H 6.863 0.020 1 985 239 206 GLY C C 171.708 0.3 1 986 239 206 GLY CA C 44.202 0.3 1 987 239 206 GLY N N 106.460 0.3 1 988 240 207 GLN H H 7.781 0.020 1 989 240 207 GLN C C 175.380 0.3 1 990 240 207 GLN CA C 53.417 0.3 1 991 240 207 GLN CB C 29.428 0.3 1 992 240 207 GLN N N 118.548 0.3 1 993 241 208 GLU H H 8.817 0.020 1 994 241 208 GLU C C 176.211 0.3 1 995 241 208 GLU CA C 57.703 0.3 1 996 241 208 GLU CB C 28.800 0.3 1 997 241 208 GLU N N 129.639 0.3 1 998 242 209 VAL H H 8.210 0.020 1 999 242 209 VAL C C 173.858 0.3 1 1000 242 209 VAL CA C 57.953 0.3 1 1001 242 209 VAL CB C 34.604 0.3 1 1002 242 209 VAL N N 118.348 0.3 1 1003 243 210 SER H H 8.084 0.020 1 1004 243 210 SER C C 175.568 0.3 1 1005 243 210 SER CA C 55.417 0.3 1 1006 243 210 SER CB C 65.587 0.3 1 1007 243 210 SER N N 116.954 0.3 1 1008 244 211 PHE H H 7.847 0.020 1 1009 244 211 PHE C C 177.623 0.3 1 1010 244 211 PHE CA C 61.560 0.3 1 1011 244 211 PHE CB C 38.487 0.3 1 1012 244 211 PHE N N 117.618 0.3 1 1013 245 212 GLU H H 8.987 0.020 1 1014 245 212 GLU C C 179.412 0.3 1 1015 245 212 GLU CA C 59.989 0.3 1 1016 245 212 GLU CB C 27.859 0.3 1 1017 245 212 GLU N N 116.887 0.3 1 1018 246 213 SER H H 8.125 0.020 1 1019 246 213 SER C C 176.277 0.3 1 1020 246 213 SER CA C 61.632 0.3 1 1021 246 213 SER CB C 65.822 0.3 1 1022 246 213 SER N N 116.622 0.3 1 1023 247 214 VAL H H 7.958 0.020 1 1024 247 214 VAL C C 177.310 0.3 1 1025 247 214 VAL CA C 67.311 0.3 1 1026 247 214 VAL CB C 29.663 0.3 1 1027 247 214 VAL N N 121.005 0.3 1 1028 248 215 LYS H H 7.810 0.020 1 1029 248 215 LYS C C 178.643 0.3 1 1030 248 215 LYS CA C 58.882 0.3 1 1031 248 215 LYS CB C 30.526 0.3 1 1032 248 215 LYS N N 118.946 0.3 1 1033 249 216 GLU H H 7.854 0.020 1 1034 249 216 GLU C C 178.690 0.3 1 1035 249 216 GLU CA C 58.596 0.3 1 1036 249 216 GLU CB C 28.565 0.3 1 1037 249 216 GLU N N 119.047 0.3 1 1038 250 217 ILE H H 8.328 0.020 1 1039 250 217 ILE C C 177.514 0.3 1 1040 250 217 ILE CA C 64.239 0.3 1 1041 250 217 ILE CB C 37.585 0.3 1 1042 250 217 ILE N N 120.938 0.3 1 1043 251 218 ASN H H 8.254 0.020 1 1044 251 218 ASN C C 172.038 0.3 1 1045 251 218 ASN CA C 53.417 0.3 1 1046 251 218 ASN CB C 37.899 0.3 1 1047 251 218 ASN N N 117.086 0.3 1 1048 252 219 PRO C C 175.073 0.3 1 1049 252 219 PRO CA C 62.489 0.3 1 1050 252 219 PRO CB C 31.195 0.3 1 1051 253 220 ASP H H 8.044 0.020 1 1052 253 220 ASP C C 175.443 0.3 1 1053 253 220 ASP CA C 56.489 0.3 1 1054 253 220 ASP CB C 42.449 0.3 1 1055 253 220 ASP N N 116.429 0.3 1 1056 254 221 ILE H H 7.670 0.020 1 1057 254 221 ILE C C 173.199 0.3 1 1058 254 221 ILE CA C 59.525 0.3 1 1059 254 221 ILE CB C 42.056 0.3 1 1060 254 221 ILE N N 116.157 0.3 1 1061 255 222 LEU H H 8.306 0.020 1 1062 255 222 LEU C C 174.046 0.3 1 1063 255 222 LEU CA C 52.167 0.3 1 1064 255 222 LEU CB C 44.723 0.3 1 1065 255 222 LEU N N 129.307 0.3 1 1066 256 223 PHE H H 9.091 0.020 1 1067 256 223 PHE C C 174.297 0.3 1 1068 256 223 PHE CA C 56.703 0.3 1 1069 256 223 PHE CB C 39.232 0.3 1 1070 256 223 PHE N N 124.790 0.3 1 1071 257 224 VAL H H 8.698 0.020 1 1072 257 224 VAL C C 175.082 0.3 1 1073 257 224 VAL CA C 60.310 0.3 1 1074 257 224 VAL CB C 33.428 0.3 1 1075 257 224 VAL N N 120.540 0.3 1 1076 258 225 ILE H H 8.758 0.020 1 1077 258 225 ILE C C 174.815 0.3 1 1078 258 225 ILE CA C 60.775 0.3 1 1079 258 225 ILE CB C 38.840 0.3 1 1080 258 225 ILE N N 127.646 0.3 1 1081 259 226 ASN H H 8.772 0.020 1 1082 259 226 ASN C C 173.499 0.3 1 1083 259 226 ASN CA C 52.239 0.3 1 1084 259 226 ASN CB C 36.801 0.3 1 1085 259 226 ASN N N 125.986 0.3 1 1086 260 227 ARG H H 8.232 0.020 1 1087 260 227 ARG C C 175.725 0.3 1 1088 260 227 ARG CA C 58.489 0.3 1 1089 260 227 ARG CB C 29.506 0.3 1 1090 260 227 ARG N N 127.580 0.3 1 1091 261 228 THR H H 7.485 0.020 1 1092 261 228 THR C C 176.760 0.3 1 1093 261 228 THR CA C 65.668 0.3 1 1094 261 228 THR CB C 67.783 0.3 1 1095 261 228 THR N N 114.696 0.3 1 1096 262 229 LEU H H 7.388 0.020 1 1097 262 229 LEU C C 179.914 0.3 1 1098 262 229 LEU CA C 55.989 0.3 1 1099 262 229 LEU CB C 41.585 0.3 1 1100 262 229 LEU N N 118.348 0.3 1 1101 263 230 ALA H H 7.433 0.020 1 1102 263 230 ALA C C 177.859 0.3 1 1103 263 230 ALA CA C 55.310 0.3 1 1104 263 230 ALA CB C 18.682 0.3 1 1105 263 230 ALA N N 120.806 0.3 1 1106 264 231 ILE H H 7.507 0.020 1 1107 264 231 ILE C C 176.776 0.3 1 1108 264 231 ILE CA C 60.239 0.3 1 1109 264 231 ILE CB C 37.507 0.3 1 1110 264 231 ILE N N 103.804 0.3 1 1111 265 232 GLY H H 7.470 0.020 1 1112 265 232 GLY C C 175.505 0.3 1 1113 265 232 GLY CA C 45.774 0.3 1 1114 265 232 GLY N N 110.179 0.3 1 1115 266 233 GLY H H 8.254 0.020 1 1116 266 233 GLY C C 172.320 0.3 1 1117 266 233 GLY CA C 43.595 0.3 1 1118 266 233 GLY N N 106.527 0.3 1 1119 267 234 ASP H H 8.380 0.020 1 1120 267 234 ASP C C 176.368 0.3 1 1121 267 234 ASP CA C 52.560 0.3 1 1122 267 234 ASP CB C 39.075 0.3 1 1123 267 234 ASP N N 117.286 0.3 1 1124 268 235 ASN H H 8.765 0.020 1 1125 268 235 ASN C C 177.278 0.3 1 1126 268 235 ASN CA C 53.703 0.3 1 1127 268 235 ASN CB C 39.117 0.3 1 1128 268 235 ASN N N 124.857 0.3 1 1129 269 236 SER H H 8.573 0.020 1 1130 269 236 SER C C 177.090 0.3 1 1131 269 236 SER CA C 61.453 0.3 1 1132 269 236 SER CB C 62.135 0.3 1 1133 269 236 SER N N 118.016 0.3 1 1134 270 237 SER H H 7.396 0.020 1 1135 270 237 SER C C 174.831 0.3 1 1136 270 237 SER CA C 59.703 0.3 1 1137 270 237 SER CB C 62.135 0.3 1 1138 270 237 SER N N 115.699 0.3 1 1139 271 238 ASN H H 7.471 0.020 1 1140 271 238 ASN C C 176.352 0.3 1 1141 271 238 ASN CA C 52.953 0.3 1 1142 271 238 ASN CB C 38.212 0.3 1 1143 271 238 ASN N N 116.374 0.3 1 1144 272 239 ASP H H 7.396 0.020 1 1145 272 239 ASP C C 177.561 0.3 1 1146 272 239 ASP CA C 56.132 0.3 1 1147 272 239 ASP CB C 39.467 0.3 1 1148 272 239 ASP N N 123.263 0.3 1 1149 273 240 GLY H H 8.587 0.020 1 1150 273 240 GLY C C 176.101 0.3 1 1151 273 240 GLY CA C 45.524 0.3 1 1152 273 240 GLY N N 111.840 0.3 1 1153 274 241 VAL H H 7.359 0.020 1 1154 274 241 VAL C C 176.902 0.3 1 1155 274 241 VAL CA C 66.489 0.3 1 1156 274 241 VAL CB C 30.839 0.3 1 1157 274 241 VAL N N 121.669 0.3 1 1158 275 242 LEU H H 8.151 0.020 1 1159 275 242 LEU C C 176.886 0.3 1 1160 275 242 LEU CA C 55.310 0.3 1 1161 275 242 LEU CB C 38.918 0.3 1 1162 275 242 LEU N N 113.500 0.3 1 1163 276 243 GLU H H 7.388 0.020 1 1164 276 243 GLU C C 175.490 0.3 1 1165 276 243 GLU CA C 55.524 0.3 1 1166 276 243 GLU CB C 28.094 0.3 1 1167 276 243 GLU N N 114.828 0.3 1 1168 277 244 ASN H H 6.989 0.020 1 1169 277 244 ASN C C 175.803 0.3 1 1170 277 244 ASN CA C 54.739 0.3 1 1171 277 244 ASN CB C 41.507 0.3 1 1172 277 244 ASN N N 119.677 0.3 1 1173 278 245 ALA H H 8.565 0.020 1 1174 278 245 ALA C C 178.911 0.3 1 1175 278 245 ALA CA C 54.596 0.3 1 1176 278 245 ALA CB C 18.054 0.3 1 1177 278 245 ALA N N 127.314 0.3 1 1178 279 246 LEU H H 8.125 0.020 1 1179 279 246 LEU C C 179.632 0.3 1 1180 279 246 LEU CA C 57.310 0.3 1 1181 279 246 LEU CB C 39.624 0.3 1 1182 279 246 LEU N N 116.327 0.3 1 1183 280 247 ILE H H 7.166 0.020 1 1184 280 247 ILE C C 178.847 0.3 1 1185 280 247 ILE CA C 62.739 0.3 1 1186 280 247 ILE CB C 35.153 0.3 1 1187 280 247 ILE N N 116.688 0.3 1 1188 281 248 ALA H H 7.988 0.020 1 1189 281 248 ALA C C 177.310 0.3 1 1190 281 248 ALA CA C 53.489 0.3 1 1191 281 248 ALA CB C 17.348 0.3 1 1192 281 248 ALA N N 121.337 0.3 1 1193 282 249 GLU H H 6.952 0.020 1 1194 282 249 GLU C C 177.608 0.3 1 1195 282 249 GLU CA C 55.774 0.3 1 1196 282 249 GLU CB C 29.584 0.3 1 1197 282 249 GLU N N 112.902 0.3 1 1198 283 250 THR H H 7.840 0.020 1 1199 283 250 THR C C 173.262 0.3 1 1200 283 250 THR CA C 59.989 0.3 1 1201 283 250 THR CB C 69.587 0.3 1 1202 283 250 THR N N 111.242 0.3 1 1203 284 251 PRO C C 178.683 0.3 1 1204 284 251 PRO CA C 64.775 0.3 1 1205 284 251 PRO CB C 30.489 0.3 1 1206 285 252 ALA H H 7.374 0.020 1 1207 285 252 ALA C C 178.423 0.3 1 1208 285 252 ALA CA C 54.739 0.3 1 1209 285 252 ALA CB C 17.427 0.3 1 1210 285 252 ALA N N 115.094 0.3 1 1211 286 253 ALA H H 7.255 0.020 1 1212 286 253 ALA C C 181.718 0.3 1 1213 286 253 ALA CA C 54.203 0.3 1 1214 286 253 ALA CB C 19.623 0.3 1 1215 286 253 ALA N N 118.348 0.3 1 1216 287 254 LYS H H 8.180 0.020 1 1217 287 254 LYS C C 178.392 0.3 1 1218 287 254 LYS CA C 58.596 0.3 1 1219 287 254 LYS CB C 31.467 0.3 1 1220 287 254 LYS N N 118.323 0.3 1 1221 288 255 ASN H H 8.158 0.020 1 1222 288 255 ASN C C 175.615 0.3 1 1223 288 255 ASN CA C 52.096 0.3 1 1224 288 255 ASN CB C 38.448 0.3 1 1225 288 255 ASN N N 112.570 0.3 1 1226 289 256 GLY H H 7.551 0.020 1 1227 289 256 GLY C C 175.678 0.3 1 1228 289 256 GLY CA C 47.024 0.3 1 1229 289 256 GLY N N 109.053 0.3 1 1230 290 257 LYS H H 8.906 0.020 1 1231 290 257 LYS C C 175.097 0.3 1 1232 290 257 LYS CA C 52.489 0.3 1 1233 290 257 LYS CB C 31.388 0.3 1 1234 290 257 LYS N N 117.883 0.3 1 1235 291 258 ILE H H 7.514 0.020 1 1236 291 258 ILE C C 175.395 0.3 1 1237 291 258 ILE CA C 61.632 0.3 1 1238 291 258 ILE CB C 34.683 0.3 1 1239 291 258 ILE N N 120.075 0.3 1 1240 292 259 ILE H H 8.913 0.020 1 1241 292 259 ILE C C 174.642 0.3 1 1242 292 259 ILE CA C 58.489 0.3 1 1243 292 259 ILE CB C 37.036 0.3 1 1244 292 259 ILE N N 129.904 0.3 1 1245 293 260 GLN H H 8.669 0.020 1 1246 293 260 GLN C C 175.366 0.3 1 1247 293 260 GLN CA C 54.632 0.3 1 1248 293 260 GLN CB C 26.447 0.3 1 1249 293 260 GLN N N 126.650 0.3 1 1250 294 261 LEU H H 7.906 0.020 1 1251 294 261 LEU C C 176.417 0.3 1 1252 294 261 LEU CA C 53.453 0.3 1 1253 294 261 LEU CB C 38.840 0.3 1 1254 294 261 LEU N N 127.314 0.3 1 1255 295 262 THR H H 8.876 0.020 1 1256 295 262 THR C C 176.149 0.3 1 1257 295 262 THR CA C 62.418 0.3 1 1258 295 262 THR CB C 68.489 0.3 1 1259 295 262 THR N N 121.271 0.3 1 1260 296 263 PRO C C 178.355 0.3 1 1261 296 263 PRO CA C 67.168 0.3 1 1262 296 263 PRO CB C 31.430 0.3 1 1263 297 264 ASP H H 8.469 0.020 1 1264 297 264 ASP C C 177.780 0.3 1 1265 297 264 ASP CA C 56.382 0.3 1 1266 297 264 ASP CB C 38.212 0.3 1 1267 297 264 ASP N N 114.961 0.3 1 1268 298 265 LEU H H 7.973 0.020 1 1269 298 265 LEU C C 176.164 0.3 1 1270 298 265 LEU CA C 57.882 0.3 1 1271 298 265 LEU CB C 41.821 0.3 1 1272 298 265 LEU N N 123.329 0.3 1 1273 299 266 TRP H H 7.729 0.020 1 1274 299 266 TRP C C 177.937 0.3 1 1275 299 266 TRP CA C 60.203 0.3 1 1276 299 266 TRP CB C 27.859 0.3 1 1277 299 266 TRP N N 111.441 0.3 1 1278 300 267 TYR H H 8.654 0.020 1 1279 300 267 TYR C C 177.043 0.3 1 1280 300 267 TYR CA C 61.596 0.3 1 1281 300 267 TYR CB C 39.703 0.3 1 1282 300 267 TYR N N 116.024 0.3 1 1283 301 268 LEU H H 7.973 0.020 1 1284 301 268 LEU C C 176.007 0.3 1 1285 301 268 LEU CA C 55.060 0.3 1 1286 301 268 LEU CB C 42.213 0.3 1 1287 301 268 LEU N N 112.637 0.3 1 1288 302 269 SER H H 7.063 0.020 1 1289 302 269 SER C C 175.317 0.3 1 1290 302 269 SER CA C 53.596 0.3 1 1291 302 269 SER CB C 62.920 0.3 1 1292 302 269 SER N N 112.570 0.3 1 1293 303 270 GLY H H 8.166 0.020 1 1294 303 270 GLY C C 174.438 0.3 1 1295 303 270 GLY CA C 43.202 0.3 1 1296 303 270 GLY N N 106.261 0.3 1 1297 304 271 GLY H H 8.795 0.020 1 1298 304 271 GLY C C 173.277 0.3 1 1299 304 271 GLY CA C 44.952 0.3 1 1300 304 271 GLY N N 106.726 0.3 1 1301 305 272 GLY H H 7.218 0.020 1 1302 305 272 GLY C C 176.290 0.3 1 1303 305 272 GLY CA C 42.417 0.3 1 1304 305 272 GLY N N 102.343 0.3 1 1305 306 273 LEU H H 7.906 0.020 1 1306 306 273 LEU C C 178.282 0.3 1 1307 306 273 LEU CA C 57.989 0.3 1 1308 306 273 LEU CB C 42.412 0.3 1 1309 306 273 LEU N N 121.470 0.3 1 1310 307 274 GLU H H 8.795 0.020 1 1311 307 274 GLU C C 178.423 0.3 1 1312 307 274 GLU CA C 57.667 0.3 1 1313 307 274 GLU CB C 29.584 0.3 1 1314 307 274 GLU N N 119.145 0.3 1 1315 308 275 SER H H 7.976 0.020 1 1316 308 275 SER C C 177.574 0.3 1 1317 308 275 SER CA C 59.953 0.3 1 1318 308 275 SER CB C 60.331 0.3 1 1319 308 275 SER N N 111.470 0.3 1 1320 309 276 THR H H 7.729 0.020 1 1321 309 276 THR C C 174.917 0.3 1 1322 309 276 THR CA C 67.704 0.3 1 1323 309 276 THR CB C 66.805 0.3 1 1324 309 276 THR N N 114.364 0.3 1 1325 310 277 LYS H H 6.515 0.020 1 1326 310 277 LYS C C 178.659 0.3 1 1327 310 277 LYS CA C 59.810 0.3 1 1328 310 277 LYS CB C 31.232 0.3 1 1329 310 277 LYS N N 121.071 0.3 1 1330 311 278 LEU H H 7.988 0.020 1 1331 311 278 LEU C C 180.165 0.3 1 1332 311 278 LEU CA C 56.917 0.3 1 1333 311 278 LEU CB C 41.350 0.3 1 1334 311 278 LEU N N 117.618 0.3 1 1335 312 279 MET H H 8.321 0.020 1 1336 312 279 MET C C 178.000 0.3 1 1337 312 279 MET CA C 59.668 0.3 1 1338 312 279 MET CB C 32.957 0.3 1 1339 312 279 MET N N 121.470 0.3 1 1340 313 280 ILE H H 7.831 0.020 1 1341 313 280 ILE C C 178.518 0.3 1 1342 313 280 ILE CA C 65.454 0.3 1 1343 313 280 ILE CB C 36.999 0.3 1 1344 313 280 ILE N N 117.920 0.3 1 1345 314 281 GLU H H 7.870 0.020 1 1346 314 281 GLU C C 179.443 0.3 1 1347 314 281 GLU CA C 59.167 0.3 1 1348 314 281 GLU CB C 28.371 0.3 1 1349 314 281 GLU N N 118.993 0.3 1 1350 315 282 ASP H H 7.872 0.020 1 1351 315 282 ASP C C 178.683 0.3 1 1352 315 282 ASP CA C 56.453 0.3 1 1353 315 282 ASP CB C 41.193 0.3 1 1354 315 282 ASP N N 119.008 0.3 1 1355 316 283 ILE H H 7.388 0.020 1 1356 316 283 ILE C C 177.874 0.3 1 1357 316 283 ILE CA C 60.453 0.3 1 1358 316 283 ILE CB C 35.859 0.3 1 1359 316 283 ILE N N 112.836 0.3 1 1360 317 284 GLN H H 8.269 0.020 1 1361 317 284 GLN C C 179.428 0.3 1 1362 317 284 GLN CA C 58.703 0.3 1 1363 317 284 GLN CB C 27.231 0.3 1 1364 317 284 GLN N N 118.614 0.3 1 1365 318 285 LYS H H 8.047 0.020 1 1366 318 285 LYS C C 177.847 0.3 1 1367 318 285 LYS CA C 58.275 0.3 1 1368 318 285 LYS CB C 31.274 0.3 1 1369 318 285 LYS N N 116.024 0.3 1 1370 319 286 ALA H H 7.625 0.020 1 1371 319 286 ALA C C 177.702 0.3 1 1372 319 286 ALA CA C 52.917 0.3 1 1373 319 286 ALA CB C 18.917 0.3 1 1374 319 286 ALA N N 118.946 0.3 1 1375 320 287 LEU H H 7.507 0.020 1 1376 320 287 LEU C C 176.196 0.3 1 1377 320 287 LEU CA C 54.096 0.3 1 1378 320 287 LEU CB C 41.115 0.3 1 1379 320 287 LEU N N 116.954 0.3 1 1380 321 288 LYS H H 7.115 0.020 1 1381 321 288 LYS C C 181.420 0.3 1 1382 321 288 LYS CA C 57.810 0.3 1 1383 321 288 LYS CB C 32.173 0.3 1 1384 321 288 LYS N N 124.658 0.3 1 stop_ save_