data_27224 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N, 13C backbone resonance assignments of pentaerythritol tetranitrate reductase from Enterobacter cloacae PB2 in complex with oxidised flavin mononucleotide ; _BMRB_accession_number 27224 _BMRB_flat_file_name bmr27224.str _Entry_type original _Submission_date 2017-08-18 _Accession_date 2017-08-18 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Iorgu Andreea I. . 2 Baxter Nicola J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 333 "13C chemical shifts" 1028 "15N chemical shifts" 333 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-03-28 update BMRB 'update entry citation' 2017-12-14 original author 'original release' stop_ _Original_release_date 2017-08-18 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 15N and 13C backbone resonance assignments of pentaerythritol tetranitrate reductase from Enterobacter cloacae PB2 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29168057 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Iorgu Andreea I. . 2 Baxter Nicola J. . 3 Cliff Matthew J. . 4 Waltho Jonathan P. . 5 Hay Sam . . 6 Scrutton Nigel S. . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume 12 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 79 _Page_last 83 _Year 2018 _Details . loop_ _Keyword 'Backbone resonance assignment' 'Flavin mononucleotide' Flavoenzyme 'Pentaerythritol tetranitrate reductase' 'Transverse relaxation optimised spectroscopy' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'PETNR FMNox' _Enzyme_commission_number 1.6.99.1 loop_ _Mol_system_component_name _Mol_label PETNR $PETNR FMN $entity_FMN stop_ _System_molecular_weight 39814.47 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details oxidoreductase save_ ######################## # Monomeric polymers # ######################## save_PETNR _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PETNR _Molecular_mass 39358.13 _Mol_thiol_state 'all free' loop_ _Biological_function oxidoreductase stop_ _Details 'Recombinant PETNR is expressed and purified as a tight non-covalently bound PETNR:FMNox complex' ############################## # Polymer residue sequence # ############################## _Residue_count 364 _Mol_residue_sequence ; SAEKLFTPLKVGAVTAPNRV FMAPLTRLRSIEPGDIPTPL MGEYYRQRASAGLIISEATQ ISAQAKGYAGAPGLHSPEQI AAWKKITAGVHAEDGRIAVQ LWHTGRISHSSIQPGGQAPV SASALNANTRTSLRDENGNA IRVDTTTPRALELDEIPGIV NDFRQAVANAREAGFDLVEL HSAHGYLLHQFLSPSSNQRT DQYGGSVENRARLVLEVVDA VCNEWSADRIGIRVSPIGTF QNVDNGPNEEADALYLIEEL AKRGIAYLHMSETDLAGGKP YSEAFRQKVRERFHGVIIGA GAYTAEKAEDLIGKGLIDAV AFGRDYIANPDLVARLQKKA ELNPQRPESFYGGGAEGYTD YPSL ; loop_ _Residue_seq_code _Residue_label 1 SER 2 ALA 3 GLU 4 LYS 5 LEU 6 PHE 7 THR 8 PRO 9 LEU 10 LYS 11 VAL 12 GLY 13 ALA 14 VAL 15 THR 16 ALA 17 PRO 18 ASN 19 ARG 20 VAL 21 PHE 22 MET 23 ALA 24 PRO 25 LEU 26 THR 27 ARG 28 LEU 29 ARG 30 SER 31 ILE 32 GLU 33 PRO 34 GLY 35 ASP 36 ILE 37 PRO 38 THR 39 PRO 40 LEU 41 MET 42 GLY 43 GLU 44 TYR 45 TYR 46 ARG 47 GLN 48 ARG 49 ALA 50 SER 51 ALA 52 GLY 53 LEU 54 ILE 55 ILE 56 SER 57 GLU 58 ALA 59 THR 60 GLN 61 ILE 62 SER 63 ALA 64 GLN 65 ALA 66 LYS 67 GLY 68 TYR 69 ALA 70 GLY 71 ALA 72 PRO 73 GLY 74 LEU 75 HIS 76 SER 77 PRO 78 GLU 79 GLN 80 ILE 81 ALA 82 ALA 83 TRP 84 LYS 85 LYS 86 ILE 87 THR 88 ALA 89 GLY 90 VAL 91 HIS 92 ALA 93 GLU 94 ASP 95 GLY 96 ARG 97 ILE 98 ALA 99 VAL 100 GLN 101 LEU 102 TRP 103 HIS 104 THR 105 GLY 106 ARG 107 ILE 108 SER 109 HIS 110 SER 111 SER 112 ILE 113 GLN 114 PRO 115 GLY 116 GLY 117 GLN 118 ALA 119 PRO 120 VAL 121 SER 122 ALA 123 SER 124 ALA 125 LEU 126 ASN 127 ALA 128 ASN 129 THR 130 ARG 131 THR 132 SER 133 LEU 134 ARG 135 ASP 136 GLU 137 ASN 138 GLY 139 ASN 140 ALA 141 ILE 142 ARG 143 VAL 144 ASP 145 THR 146 THR 147 THR 148 PRO 149 ARG 150 ALA 151 LEU 152 GLU 153 LEU 154 ASP 155 GLU 156 ILE 157 PRO 158 GLY 159 ILE 160 VAL 161 ASN 162 ASP 163 PHE 164 ARG 165 GLN 166 ALA 167 VAL 168 ALA 169 ASN 170 ALA 171 ARG 172 GLU 173 ALA 174 GLY 175 PHE 176 ASP 177 LEU 178 VAL 179 GLU 180 LEU 181 HIS 182 SER 183 ALA 184 HIS 185 GLY 186 TYR 187 LEU 188 LEU 189 HIS 190 GLN 191 PHE 192 LEU 193 SER 194 PRO 195 SER 196 SER 197 ASN 198 GLN 199 ARG 200 THR 201 ASP 202 GLN 203 TYR 204 GLY 205 GLY 206 SER 207 VAL 208 GLU 209 ASN 210 ARG 211 ALA 212 ARG 213 LEU 214 VAL 215 LEU 216 GLU 217 VAL 218 VAL 219 ASP 220 ALA 221 VAL 222 CYS 223 ASN 224 GLU 225 TRP 226 SER 227 ALA 228 ASP 229 ARG 230 ILE 231 GLY 232 ILE 233 ARG 234 VAL 235 SER 236 PRO 237 ILE 238 GLY 239 THR 240 PHE 241 GLN 242 ASN 243 VAL 244 ASP 245 ASN 246 GLY 247 PRO 248 ASN 249 GLU 250 GLU 251 ALA 252 ASP 253 ALA 254 LEU 255 TYR 256 LEU 257 ILE 258 GLU 259 GLU 260 LEU 261 ALA 262 LYS 263 ARG 264 GLY 265 ILE 266 ALA 267 TYR 268 LEU 269 HIS 270 MET 271 SER 272 GLU 273 THR 274 ASP 275 LEU 276 ALA 277 GLY 278 GLY 279 LYS 280 PRO 281 TYR 282 SER 283 GLU 284 ALA 285 PHE 286 ARG 287 GLN 288 LYS 289 VAL 290 ARG 291 GLU 292 ARG 293 PHE 294 HIS 295 GLY 296 VAL 297 ILE 298 ILE 299 GLY 300 ALA 301 GLY 302 ALA 303 TYR 304 THR 305 ALA 306 GLU 307 LYS 308 ALA 309 GLU 310 ASP 311 LEU 312 ILE 313 GLY 314 LYS 315 GLY 316 LEU 317 ILE 318 ASP 319 ALA 320 VAL 321 ALA 322 PHE 323 GLY 324 ARG 325 ASP 326 TYR 327 ILE 328 ALA 329 ASN 330 PRO 331 ASP 332 LEU 333 VAL 334 ALA 335 ARG 336 LEU 337 GLN 338 LYS 339 LYS 340 ALA 341 GLU 342 LEU 343 ASN 344 PRO 345 GLN 346 ARG 347 PRO 348 GLU 349 SER 350 PHE 351 TYR 352 GLY 353 GLY 354 GLY 355 ALA 356 GLU 357 GLY 358 TYR 359 THR 360 ASP 361 TYR 362 PRO 363 SER 364 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 5LGX 'pentaerythritol tetranitrate reductase (PETNR)' . . . . . PDB 3P62 'pentaerythritol tetranitrate reductase (PETNR)' . . . . . stop_ save_ ############# # Ligands # ############# save_FMN _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_FMN (FLAVIN MONONUCLEOTIDE)" _BMRB_code FMN _PDB_code FMN _Molecular_mass 456.344 _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 N1 N1 N . 0 . ? C2 C2 C . 0 . ? O2 O2 O . 0 . ? N3 N3 N . 0 . ? C4 C4 C . 0 . ? O4 O4 O . 0 . ? C4A C4A C . 0 . ? N5 N5 N . 0 . ? C5A C5A C . 0 . ? C6 C6 C . 0 . ? C7 C7 C . 0 . ? C7M C7M C . 0 . ? C8 C8 C . 0 . ? C8M C8M C . 0 . ? C9 C9 C . 0 . ? C9A C9A C . 0 . ? N10 N10 N . 0 . ? C10 C10 C . 0 . ? C1' C1' C . 0 . ? C2' C2' C . 0 . ? O2' O2' O . 0 . ? C3' C3' C . 0 . ? O3' O3' O . 0 . ? C4' C4' C . 0 . ? O4' O4' O . 0 . ? C5' C5' C . 0 . ? O5' O5' O . 0 . ? P P P . 0 . ? O1P O1P O . 0 . ? O2P O2P O . 0 . ? O3P O3P O . 0 . ? HN3 HN3 H . 0 . ? H6 H6 H . 0 . ? HM71 HM71 H . 0 . ? HM72 HM72 H . 0 . ? HM73 HM73 H . 0 . ? HM81 HM81 H . 0 . ? HM82 HM82 H . 0 . ? HM83 HM83 H . 0 . ? H9 H9 H . 0 . ? H1'1 H1'1 H . 0 . ? H1'2 H1'2 H . 0 . ? H2' H2' H . 0 . ? HO2' HO2' H . 0 . ? H3' H3' H . 0 . ? HO3' HO3' H . 0 . ? H4' H4' H . 0 . ? HO4' HO4' H . 0 . ? H5'1 H5'1 H . 0 . ? H5'2 H5'2 H . 0 . ? HOP2 HOP2 H . 0 . ? HOP3 HOP3 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 SING N1 C2 ? ? DOUB N1 C10 ? ? DOUB C2 O2 ? ? SING C2 N3 ? ? SING N3 C4 ? ? SING N3 HN3 ? ? DOUB C4 O4 ? ? SING C4 C4A ? ? DOUB C4A N5 ? ? SING C4A C10 ? ? SING N5 C5A ? ? DOUB C5A C6 ? ? SING C5A C9A ? ? SING C6 C7 ? ? SING C6 H6 ? ? SING C7 C7M ? ? DOUB C7 C8 ? ? SING C7M HM71 ? ? SING C7M HM72 ? ? SING C7M HM73 ? ? SING C8 C8M ? ? SING C8 C9 ? ? SING C8M HM81 ? ? SING C8M HM82 ? ? SING C8M HM83 ? ? DOUB C9 C9A ? ? SING C9 H9 ? ? SING C9A N10 ? ? SING N10 C10 ? ? SING N10 C1' ? ? SING C1' C2' ? ? SING C1' H1'1 ? ? SING C1' H1'2 ? ? SING C2' O2' ? ? SING C2' C3' ? ? SING C2' H2' ? ? SING O2' HO2' ? ? SING C3' O3' ? ? SING C3' C4' ? ? SING C3' H3' ? ? SING O3' HO3' ? ? SING C4' O4' ? ? SING C4' C5' ? ? SING C4' H4' ? ? SING O4' HO4' ? ? SING C5' O5' ? ? SING C5' H5'1 ? ? SING C5' H5'2 ? ? SING O5' P ? ? DOUB P O1P ? ? SING P O2P ? ? SING P O3P ? ? SING O2P HOP2 ? ? SING O3P HOP3 ? ? 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 $PETNR 'Enterobacter cloacae' 550 Bacteria . Enterobacter cloacae PB2 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 _Details $PETNR 'recombinant technology' . Escherichia coli JM109 'pBlueScript II SK(+)' 'Recombinant PETNR is expressed and purified as a tight non-covalently bound PETNR:FMNox complex' 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 $PETNR 1 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' $entity_FMN 1 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' 'potassium phosphate' 50 mM 'natural abundance' 'sodium azide' 1 mM 'natural abundance' TSP 0.5 '% v/v' [U-2H] D2O 10 '% v/v' '[U-100% 2H]' H2O 90 '% v/v' 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.2 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CcpNmr_Analysis _Saveframe_category software _Name CcpNmr_Analysis _Version 2.4 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance III' _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_TROSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY' _Sample_label $sample_1 save_ save_3D_TROSY-HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCA' _Sample_label $sample_1 save_ save_3D_TROSY-HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCACB' _Sample_label $sample_1 save_ save_3D_TROSY-HN(CO)CACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HN(CO)CACB' _Sample_label $sample_1 save_ save_3D_TROSY-HN(CA)CO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HN(CA)CO' _Sample_label $sample_1 save_ save_3D_TROSY-HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCO' _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' 150 . mM pH 7.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS 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 ; TROSY offset: amide protons; amide nitrogens. 2H isotope effect: backbone CA, CB. ; loop_ _Software_label $TOPSPIN $CcpNmr_Analysis stop_ loop_ _Experiment_label '2D 1H-15N TROSY' '3D TROSY-HNCA' '3D TROSY-HNCACB' '3D TROSY-HN(CO)CACB' '3D TROSY-HN(CA)CO' '3D TROSY-HNCO' 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 PETNR _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 ALA C C 177.17 0.050 1 2 2 2 ALA CA C 52.19 0.050 1 3 2 2 ALA CB C 18.23 0.050 1 4 3 3 GLU H H 8.53 0.005 1 5 3 3 GLU C C 178.21 0.050 1 6 3 3 GLU CA C 57.20 0.050 1 7 3 3 GLU CB C 29.10 0.050 1 8 3 3 GLU N N 120.75 0.050 1 9 4 4 LYS H H 11.26 0.005 1 10 4 4 LYS C C 179.92 0.050 1 11 4 4 LYS CA C 57.53 0.050 1 12 4 4 LYS CB C 32.32 0.050 1 13 4 4 LYS N N 128.93 0.050 1 14 5 5 LEU H H 9.44 0.005 1 15 5 5 LEU C C 175.71 0.050 1 16 5 5 LEU CA C 57.00 0.050 1 17 5 5 LEU CB C 41.42 0.050 1 18 5 5 LEU N N 121.31 0.050 1 19 6 6 PHE H H 7.26 0.005 1 20 6 6 PHE C C 174.45 0.050 1 21 6 6 PHE CA C 55.43 0.050 1 22 6 6 PHE CB C 37.16 0.050 1 23 6 6 PHE N N 115.08 0.050 1 24 7 7 THR H H 7.22 0.005 1 25 7 7 THR C C 172.09 0.050 1 26 7 7 THR CA C 58.16 0.050 1 27 7 7 THR CB C 70.30 0.050 1 28 7 7 THR N N 111.27 0.050 1 29 8 8 PRO C C 176.67 0.050 1 30 8 8 PRO CA C 62.41 0.050 1 31 8 8 PRO CB C 32.72 0.050 1 32 9 9 LEU H H 8.81 0.005 1 33 9 9 LEU C C 174.25 0.050 1 34 9 9 LEU CA C 53.53 0.050 1 35 9 9 LEU CB C 46.46 0.050 1 36 9 9 LEU N N 121.63 0.050 1 37 10 10 LYS H H 8.70 0.005 1 38 10 10 LYS C C 175.18 0.050 1 39 10 10 LYS CA C 56.60 0.050 1 40 10 10 LYS CB C 31.49 0.050 1 41 10 10 LYS N N 129.64 0.050 1 42 11 11 VAL H H 9.26 0.005 1 43 11 11 VAL C C 174.01 0.050 1 44 11 11 VAL CA C 59.57 0.050 1 45 11 11 VAL CB C 30.62 0.050 1 46 11 11 VAL N N 131.20 0.050 1 47 12 12 GLY H H 8.70 0.005 1 48 12 12 GLY C C 175.10 0.050 1 49 12 12 GLY CA C 46.29 0.050 1 50 12 12 GLY N N 112.39 0.050 1 51 13 13 ALA H H 7.99 0.005 1 52 13 13 ALA C C 177.54 0.050 1 53 13 13 ALA CA C 52.88 0.050 1 54 13 13 ALA CB C 18.70 0.050 1 55 13 13 ALA N N 128.75 0.050 1 56 14 14 VAL H H 7.84 0.005 1 57 14 14 VAL C C 173.88 0.050 1 58 14 14 VAL CA C 59.42 0.050 1 59 14 14 VAL CB C 33.89 0.050 1 60 14 14 VAL N N 114.57 0.050 1 61 15 15 THR H H 8.65 0.005 1 62 15 15 THR C C 173.49 0.050 1 63 15 15 THR CA C 61.94 0.050 1 64 15 15 THR CB C 68.86 0.050 1 65 15 15 THR N N 119.98 0.050 1 66 16 16 ALA H H 9.18 0.005 1 67 16 16 ALA C C 176.78 0.050 1 68 16 16 ALA CA C 48.27 0.050 1 69 16 16 ALA CB C 19.69 0.050 1 70 16 16 ALA N N 132.74 0.050 1 71 17 17 PRO C C 174.61 0.050 1 72 17 17 PRO CA C 63.36 0.050 1 73 17 17 PRO CB C 31.24 0.050 1 74 18 18 ASN H H 7.38 0.005 1 75 18 18 ASN C C 173.02 0.050 1 76 18 18 ASN CA C 51.90 0.050 1 77 18 18 ASN CB C 39.89 0.050 1 78 18 18 ASN N N 110.75 0.050 1 79 19 19 ARG H H 8.05 0.005 1 80 19 19 ARG C C 172.73 0.050 1 81 19 19 ARG CA C 54.70 0.050 1 82 19 19 ARG CB C 28.31 0.050 1 83 19 19 ARG N N 114.93 0.050 1 84 20 20 VAL H H 8.78 0.005 1 85 20 20 VAL C C 173.70 0.050 1 86 20 20 VAL CA C 61.65 0.050 1 87 20 20 VAL CB C 29.66 0.050 1 88 20 20 VAL N N 120.70 0.050 1 89 21 21 PHE H H 9.33 0.005 1 90 21 21 PHE C C 174.90 0.050 1 91 21 21 PHE CA C 52.08 0.050 1 92 21 21 PHE CB C 36.41 0.050 1 93 21 21 PHE N N 125.65 0.050 1 94 22 22 MET H H 8.42 0.005 1 95 22 22 MET C C 173.73 0.050 1 96 22 22 MET CA C 54.50 0.050 1 97 22 22 MET CB C 32.27 0.050 1 98 22 22 MET N N 123.09 0.050 1 99 23 23 ALA H H 7.88 0.005 1 100 23 23 ALA C C 172.70 0.050 1 101 23 23 ALA CA C 49.97 0.050 1 102 23 23 ALA CB C 16.73 0.050 1 103 23 23 ALA N N 126.81 0.050 1 104 24 24 PRO C C 179.19 0.050 1 105 24 24 PRO CA C 61.78 0.050 1 106 24 24 PRO CB C 31.03 0.050 1 107 25 25 LEU H H 7.64 0.005 1 108 25 25 LEU C C 174.29 0.050 1 109 25 25 LEU CA C 51.97 0.050 1 110 25 25 LEU CB C 43.62 0.050 1 111 25 25 LEU N N 125.63 0.050 1 112 26 26 THR H H 10.53 0.005 1 113 26 26 THR C C 172.69 0.050 1 114 26 26 THR CA C 66.39 0.050 1 115 26 26 THR CB C 70.01 0.050 1 116 26 26 THR N N 127.03 0.050 1 117 27 27 ARG H H 8.04 0.005 1 118 27 27 ARG C C 178.34 0.050 1 119 27 27 ARG CA C 52.93 0.050 1 120 27 27 ARG CB C 28.96 0.050 1 121 27 27 ARG N N 123.30 0.050 1 122 28 28 LEU H H 9.63 0.005 1 123 28 28 LEU C C 176.26 0.050 1 124 28 28 LEU CA C 54.42 0.050 1 125 28 28 LEU CB C 37.09 0.050 1 126 28 28 LEU N N 117.79 0.050 1 127 29 29 ARG H H 9.06 0.005 1 128 29 29 ARG C C 176.96 0.050 1 129 29 29 ARG CA C 55.05 0.050 1 130 29 29 ARG CB C 30.43 0.050 1 131 29 29 ARG N N 119.76 0.050 1 132 30 30 SER H H 8.85 0.005 1 133 30 30 SER C C 173.91 0.050 1 134 30 30 SER CA C 60.02 0.050 1 135 30 30 SER CB C 61.91 0.050 1 136 30 30 SER N N 117.83 0.050 1 137 31 31 ILE H H 8.51 0.005 1 138 31 31 ILE C C 176.95 0.050 1 139 31 31 ILE CA C 61.58 0.050 1 140 31 31 ILE CB C 38.92 0.050 1 141 31 31 ILE N N 123.57 0.050 1 142 32 32 GLU H H 8.45 0.005 1 143 32 32 GLU C C 174.43 0.050 1 144 32 32 GLU CA C 53.31 0.050 1 145 32 32 GLU CB C 32.73 0.050 1 146 32 32 GLU N N 124.09 0.050 1 147 34 34 GLY C C 173.98 0.050 1 148 34 34 GLY CA C 44.51 0.050 1 149 35 35 ASP H H 8.04 0.005 1 150 35 35 ASP C C 174.50 0.050 1 151 35 35 ASP CA C 54.30 0.050 1 152 35 35 ASP CB C 38.83 0.050 1 153 35 35 ASP N N 126.26 0.050 1 154 36 36 ILE H H 8.07 0.005 1 155 36 36 ILE C C 174.68 0.050 1 156 36 36 ILE CA C 58.96 0.050 1 157 36 36 ILE CB C 40.41 0.050 1 158 36 36 ILE N N 119.38 0.050 1 159 37 37 PRO C C 175.12 0.050 1 160 37 37 PRO CA C 61.87 0.050 1 161 37 37 PRO CB C 32.08 0.050 1 162 38 38 THR H H 7.81 0.005 1 163 38 38 THR C C 174.46 0.050 1 164 38 38 THR CA C 59.11 0.050 1 165 38 38 THR CB C 69.77 0.050 1 166 38 38 THR N N 110.82 0.050 1 167 39 39 PRO C C 179.77 0.050 1 168 39 39 PRO CA C 64.15 0.050 1 169 39 39 PRO CB C 30.88 0.050 1 170 40 40 LEU H H 7.64 0.005 1 171 40 40 LEU C C 179.09 0.050 1 172 40 40 LEU CA C 57.84 0.050 1 173 40 40 LEU CB C 40.54 0.050 1 174 40 40 LEU N N 121.61 0.050 1 175 41 41 MET H H 7.81 0.005 1 176 41 41 MET C C 179.06 0.050 1 177 41 41 MET CA C 57.88 0.050 1 178 41 41 MET CB C 32.21 0.050 1 179 41 41 MET N N 119.26 0.050 1 180 42 42 GLY H H 8.25 0.005 1 181 42 42 GLY C C 175.89 0.050 1 182 42 42 GLY CA C 49.33 0.050 1 183 42 42 GLY N N 105.24 0.050 1 184 43 43 GLU H H 8.08 0.005 1 185 43 43 GLU C C 177.39 0.050 1 186 43 43 GLU CA C 58.33 0.050 1 187 43 43 GLU CB C 28.07 0.050 1 188 43 43 GLU N N 125.71 0.050 1 189 44 44 TYR H H 7.87 0.005 1 190 44 44 TYR C C 178.23 0.050 1 191 44 44 TYR CA C 59.96 0.050 1 192 44 44 TYR CB C 36.50 0.050 1 193 44 44 TYR N N 122.46 0.050 1 194 45 45 TYR H H 8.17 0.005 1 195 45 45 TYR C C 177.94 0.050 1 196 45 45 TYR CA C 62.41 0.050 1 197 45 45 TYR CB C 36.98 0.050 1 198 45 45 TYR N N 117.51 0.050 1 199 46 46 ARG H H 8.26 0.005 1 200 46 46 ARG C C 179.70 0.050 1 201 46 46 ARG CA C 60.28 0.050 1 202 46 46 ARG CB C 28.72 0.050 1 203 46 46 ARG N N 120.25 0.050 1 204 47 47 GLN H H 8.29 0.005 1 205 47 47 GLN C C 177.74 0.050 1 206 47 47 GLN CA C 57.60 0.050 1 207 47 47 GLN CB C 28.70 0.050 1 208 47 47 GLN N N 116.62 0.050 1 209 48 48 ARG H H 7.03 0.005 1 210 48 48 ARG C C 175.17 0.050 1 211 48 48 ARG CA C 55.78 0.050 1 212 48 48 ARG CB C 28.88 0.050 1 213 48 48 ARG N N 117.91 0.050 1 214 49 49 ALA H H 7.16 0.005 1 215 49 49 ALA C C 177.01 0.050 1 216 49 49 ALA CA C 54.04 0.050 1 217 49 49 ALA CB C 18.77 0.050 1 218 49 49 ALA N N 118.88 0.050 1 219 50 50 SER H H 8.06 0.005 1 220 50 50 SER C C 174.97 0.050 1 221 50 50 SER CA C 58.56 0.050 1 222 50 50 SER CB C 62.98 0.050 1 223 50 50 SER N N 111.59 0.050 1 224 51 51 ALA H H 8.06 0.005 1 225 51 51 ALA C C 178.41 0.050 1 226 51 51 ALA CA C 53.39 0.050 1 227 51 51 ALA CB C 18.75 0.050 1 228 51 51 ALA N N 125.98 0.050 1 229 52 52 GLY H H 9.31 0.005 1 230 52 52 GLY C C 173.21 0.050 1 231 52 52 GLY CA C 48.27 0.050 1 232 52 52 GLY N N 115.24 0.050 1 233 53 53 LEU H H 6.32 0.005 1 234 53 53 LEU C C 174.52 0.050 1 235 53 53 LEU CA C 54.96 0.050 1 236 53 53 LEU CB C 42.64 0.050 1 237 53 53 LEU N N 117.28 0.050 1 238 54 54 ILE H H 8.22 0.005 1 239 54 54 ILE C C 173.73 0.050 1 240 54 54 ILE CA C 61.25 0.050 1 241 54 54 ILE CB C 39.51 0.050 1 242 54 54 ILE N N 126.75 0.050 1 243 55 55 ILE H H 8.09 0.005 1 244 55 55 ILE C C 175.27 0.050 1 245 55 55 ILE CA C 60.29 0.050 1 246 55 55 ILE CB C 36.38 0.050 1 247 55 55 ILE N N 130.48 0.050 1 248 56 56 SER H H 9.04 0.005 1 249 56 56 SER C C 170.58 0.050 1 250 56 56 SER CA C 59.43 0.050 1 251 56 56 SER CB C 64.38 0.050 1 252 56 56 SER N N 123.12 0.050 1 253 57 57 GLU H H 8.02 0.005 1 254 57 57 GLU C C 174.82 0.050 1 255 57 57 GLU CA C 54.89 0.050 1 256 57 57 GLU CB C 32.40 0.050 1 257 57 57 GLU N N 111.71 0.050 1 258 58 58 ALA H H 5.85 0.005 1 259 58 58 ALA C C 176.55 0.050 1 260 58 58 ALA CA C 53.65 0.050 1 261 58 58 ALA CB C 15.16 0.050 1 262 58 58 ALA N N 125.46 0.050 1 263 59 59 THR H H 8.44 0.005 1 264 59 59 THR C C 176.03 0.050 1 265 59 59 THR CA C 61.62 0.050 1 266 59 59 THR CB C 70.48 0.050 1 267 59 59 THR N N 118.55 0.050 1 268 60 60 GLN H H 9.69 0.005 1 269 60 60 GLN C C 178.28 0.050 1 270 60 60 GLN CA C 60.82 0.050 1 271 60 60 GLN CB C 31.91 0.050 1 272 60 60 GLN N N 124.88 0.050 1 273 61 61 ILE H H 6.96 0.005 1 274 61 61 ILE C C 172.63 0.050 1 275 61 61 ILE CA C 61.74 0.050 1 276 61 61 ILE CB C 37.51 0.050 1 277 61 61 ILE N N 110.43 0.050 1 278 62 62 SER H H 7.19 0.005 1 279 62 62 SER C C 172.59 0.050 1 280 62 62 SER CA C 56.02 0.050 1 281 62 62 SER CB C 63.98 0.050 1 282 62 62 SER N N 112.48 0.050 1 283 63 63 ALA H H 8.38 0.005 1 284 63 63 ALA C C 181.61 0.050 1 285 63 63 ALA CA C 54.51 0.050 1 286 63 63 ALA CB C 16.83 0.050 1 287 63 63 ALA N N 121.66 0.050 1 288 64 64 GLN H H 8.09 0.005 1 289 64 64 GLN C C 174.68 0.050 1 290 64 64 GLN CA C 57.05 0.050 1 291 64 64 GLN CB C 29.76 0.050 1 292 64 64 GLN N N 120.35 0.050 1 293 65 65 ALA H H 7.13 0.005 1 294 65 65 ALA C C 177.16 0.050 1 295 65 65 ALA CA C 51.18 0.050 1 296 65 65 ALA CB C 21.23 0.050 1 297 65 65 ALA N N 116.59 0.050 1 298 66 66 LYS H H 7.03 0.005 1 299 66 66 LYS C C 174.43 0.050 1 300 66 66 LYS CA C 58.24 0.050 1 301 66 66 LYS CB C 33.51 0.050 1 302 66 66 LYS N N 120.50 0.050 1 303 67 67 GLY H H 8.70 0.005 1 304 67 67 GLY C C 171.11 0.050 1 305 67 67 GLY CA C 45.44 0.050 1 306 67 67 GLY N N 114.48 0.050 1 307 68 68 TYR H H 7.41 0.005 1 308 68 68 TYR C C 176.14 0.050 1 309 68 68 TYR CA C 55.53 0.050 1 310 68 68 TYR CB C 41.98 0.050 1 311 68 68 TYR N N 117.78 0.050 1 312 69 69 ALA H H 8.72 0.005 1 313 69 69 ALA C C 177.21 0.050 1 314 69 69 ALA CA C 52.71 0.050 1 315 69 69 ALA CB C 19.50 0.050 1 316 69 69 ALA N N 125.01 0.050 1 317 70 70 GLY H H 8.48 0.005 1 318 70 70 GLY C C 175.18 0.050 1 319 70 70 GLY CA C 45.03 0.050 1 320 70 70 GLY N N 111.85 0.050 1 321 71 71 ALA H H 7.27 0.005 1 322 71 71 ALA C C 176.72 0.050 1 323 71 71 ALA CA C 49.27 0.050 1 324 71 71 ALA CB C 19.31 0.050 1 325 71 71 ALA N N 127.69 0.050 1 326 72 72 PRO C C 175.74 0.050 1 327 72 72 PRO CA C 63.18 0.050 1 328 72 72 PRO CB C 32.04 0.050 1 329 73 73 GLY H H 7.83 0.005 1 330 73 73 GLY C C 173.77 0.050 1 331 73 73 GLY CA C 44.40 0.050 1 332 73 73 GLY N N 102.16 0.050 1 333 74 74 LEU H H 8.10 0.005 1 334 74 74 LEU C C 174.53 0.050 1 335 74 74 LEU CA C 52.42 0.050 1 336 74 74 LEU CB C 42.74 0.050 1 337 74 74 LEU N N 120.39 0.050 1 338 75 75 HIS H H 9.13 0.005 1 339 75 75 HIS C C 174.58 0.050 1 340 75 75 HIS CA C 54.16 0.050 1 341 75 75 HIS CB C 29.75 0.050 1 342 75 75 HIS N N 115.14 0.050 1 343 76 76 SER H H 8.30 0.005 1 344 76 76 SER C C 172.78 0.050 1 345 76 76 SER CA C 54.80 0.050 1 346 76 76 SER CB C 64.40 0.050 1 347 76 76 SER N N 122.23 0.050 1 348 77 77 PRO C C 180.14 0.050 1 349 77 77 PRO CA C 65.14 0.050 1 350 77 77 PRO CB C 31.02 0.050 1 351 78 78 GLU H H 9.17 0.005 1 352 78 78 GLU C C 180.69 0.050 1 353 78 78 GLU CA C 59.72 0.050 1 354 78 78 GLU CB C 27.99 0.050 1 355 78 78 GLU N N 118.74 0.050 1 356 79 79 GLN H H 7.86 0.005 1 357 79 79 GLN C C 178.50 0.050 1 358 79 79 GLN CA C 59.01 0.050 1 359 79 79 GLN CB C 25.90 0.050 1 360 79 79 GLN N N 120.95 0.050 1 361 80 80 ILE H H 8.32 0.005 1 362 80 80 ILE C C 177.46 0.050 1 363 80 80 ILE CA C 66.40 0.050 1 364 80 80 ILE CB C 38.18 0.050 1 365 80 80 ILE N N 120.07 0.050 1 366 81 81 ALA H H 8.09 0.005 1 367 81 81 ALA C C 180.31 0.050 1 368 81 81 ALA CA C 54.71 0.050 1 369 81 81 ALA CB C 17.46 0.050 1 370 81 81 ALA N N 119.49 0.050 1 371 82 82 ALA H H 7.47 0.005 1 372 82 82 ALA C C 181.95 0.050 1 373 82 82 ALA CA C 54.55 0.050 1 374 82 82 ALA CB C 18.84 0.050 1 375 82 82 ALA N N 120.53 0.050 1 376 83 83 TRP H H 9.06 0.005 1 377 83 83 TRP C C 178.78 0.050 1 378 83 83 TRP CA C 60.20 0.050 1 379 83 83 TRP CB C 29.63 0.050 1 380 83 83 TRP N N 120.11 0.050 1 381 84 84 LYS H H 8.67 0.005 1 382 84 84 LYS C C 179.32 0.050 1 383 84 84 LYS CA C 58.68 0.050 1 384 84 84 LYS CB C 32.22 0.050 1 385 84 84 LYS N N 120.72 0.050 1 386 85 85 LYS H H 6.95 0.005 1 387 85 85 LYS C C 180.16 0.050 1 388 85 85 LYS CA C 58.66 0.050 1 389 85 85 LYS CB C 31.73 0.050 1 390 85 85 LYS N N 115.88 0.050 1 391 86 86 ILE H H 7.37 0.005 1 392 86 86 ILE C C 179.58 0.050 1 393 86 86 ILE CA C 64.91 0.050 1 394 86 86 ILE CB C 36.84 0.050 1 395 86 86 ILE N N 121.66 0.050 1 396 87 87 THR H H 9.34 0.005 1 397 87 87 THR C C 177.33 0.050 1 398 87 87 THR CA C 65.02 0.050 1 399 87 87 THR CB C 66.93 0.050 1 400 87 87 THR N N 115.13 0.050 1 401 88 88 ALA H H 7.98 0.005 1 402 88 88 ALA C C 181.55 0.050 1 403 88 88 ALA CA C 55.07 0.050 1 404 88 88 ALA CB C 17.20 0.050 1 405 88 88 ALA N N 125.00 0.050 1 406 89 89 GLY H H 7.67 0.005 1 407 89 89 GLY C C 175.99 0.050 1 408 89 89 GLY CA C 46.56 0.050 1 409 89 89 GLY N N 107.16 0.050 1 410 90 90 VAL H H 7.41 0.005 1 411 90 90 VAL C C 179.50 0.050 1 412 90 90 VAL CA C 66.41 0.050 1 413 90 90 VAL CB C 30.77 0.050 1 414 90 90 VAL N N 120.91 0.050 1 415 91 91 HIS H H 8.53 0.005 1 416 91 91 HIS C C 178.51 0.050 1 417 91 91 HIS CA C 57.87 0.050 1 418 91 91 HIS CB C 27.52 0.050 1 419 91 91 HIS N N 120.02 0.050 1 420 92 92 ALA H H 8.50 0.005 1 421 92 92 ALA C C 178.56 0.050 1 422 92 92 ALA CA C 54.31 0.050 1 423 92 92 ALA CB C 17.06 0.050 1 424 92 92 ALA N N 125.32 0.050 1 425 93 93 GLU H H 6.94 0.005 1 426 93 93 GLU C C 175.29 0.050 1 427 93 93 GLU CA C 54.08 0.050 1 428 93 93 GLU CB C 28.64 0.050 1 429 93 93 GLU N N 116.83 0.050 1 430 94 94 ASP H H 8.11 0.005 1 431 94 94 ASP C C 175.23 0.050 1 432 94 94 ASP CA C 55.24 0.050 1 433 94 94 ASP CB C 38.97 0.050 1 434 94 94 ASP N N 116.52 0.050 1 435 95 95 GLY H H 8.01 0.005 1 436 95 95 GLY C C 174.10 0.050 1 437 95 95 GLY CA C 44.32 0.050 1 438 95 95 GLY N N 103.72 0.050 1 439 96 96 ARG H H 9.20 0.005 1 440 96 96 ARG C C 174.10 0.050 1 441 96 96 ARG CA C 55.16 0.050 1 442 96 96 ARG CB C 33.68 0.050 1 443 96 96 ARG N N 118.74 0.050 1 444 97 97 ILE H H 9.88 0.005 1 445 97 97 ILE C C 171.52 0.050 1 446 97 97 ILE CA C 57.63 0.050 1 447 97 97 ILE CB C 41.77 0.050 1 448 97 97 ILE N N 120.26 0.050 1 449 98 98 ALA H H 9.73 0.005 1 450 98 98 ALA C C 175.67 0.050 1 451 98 98 ALA CA C 48.03 0.050 1 452 98 98 ALA CB C 21.70 0.050 1 453 98 98 ALA N N 132.50 0.050 1 454 99 99 VAL H H 7.44 0.005 1 455 99 99 VAL C C 173.55 0.050 1 456 99 99 VAL CA C 55.32 0.050 1 457 99 99 VAL CB C 29.66 0.050 1 458 99 99 VAL N N 119.75 0.050 1 459 100 100 GLN H H 7.25 0.005 1 460 100 100 GLN C C 174.33 0.050 1 461 100 100 GLN CA C 53.62 0.050 1 462 100 100 GLN CB C 28.15 0.050 1 463 100 100 GLN N N 128.07 0.050 1 464 101 101 LEU H H 8.81 0.005 1 465 101 101 LEU C C 176.24 0.050 1 466 101 101 LEU CA C 52.41 0.050 1 467 101 101 LEU CB C 43.40 0.050 1 468 101 101 LEU N N 128.02 0.050 1 469 102 102 TRP H H 8.98 0.005 1 470 102 102 TRP C C 173.96 0.050 1 471 102 102 TRP CA C 52.64 0.050 1 472 102 102 TRP CB C 35.58 0.050 1 473 102 102 TRP N N 117.51 0.050 1 474 103 103 HIS H H 7.91 0.005 1 475 103 103 HIS C C 178.16 0.050 1 476 103 103 HIS CA C 56.41 0.050 1 477 103 103 HIS CB C 33.79 0.050 1 478 103 103 HIS N N 118.65 0.050 1 479 104 104 THR H H 8.41 0.005 1 480 104 104 THR C C 178.01 0.050 1 481 104 104 THR CA C 64.49 0.050 1 482 104 104 THR CB C 67.89 0.050 1 483 104 104 THR N N 120.16 0.050 1 484 105 105 GLY H H 11.00 0.005 1 485 105 105 GLY C C 174.64 0.050 1 486 105 105 GLY CA C 47.76 0.050 1 487 105 105 GLY N N 119.64 0.050 1 488 106 106 ARG H H 8.01 0.005 1 489 106 106 ARG C C 175.91 0.050 1 490 106 106 ARG CA C 56.93 0.050 1 491 106 106 ARG CB C 29.59 0.050 1 492 106 106 ARG N N 118.77 0.050 1 493 107 107 ILE H H 7.57 0.005 1 494 107 107 ILE C C 171.07 0.050 1 495 107 107 ILE CA C 61.08 0.050 1 496 107 107 ILE CB C 32.83 0.050 1 497 107 107 ILE N N 126.73 0.050 1 498 108 108 SER H H 6.85 0.005 1 499 108 108 SER C C 173.06 0.050 1 500 108 108 SER CA C 55.12 0.050 1 501 108 108 SER CB C 61.93 0.050 1 502 108 108 SER N N 111.59 0.050 1 503 109 109 HIS H H 8.13 0.005 1 504 109 109 HIS C C 175.64 0.050 1 505 109 109 HIS CA C 55.24 0.050 1 506 109 109 HIS CB C 36.19 0.050 1 507 109 109 HIS N N 120.18 0.050 1 508 110 110 SER H H 8.00 0.005 1 509 110 110 SER C C 175.65 0.050 1 510 110 110 SER CA C 60.61 0.050 1 511 110 110 SER CB C 61.89 0.050 1 512 110 110 SER N N 122.24 0.050 1 513 111 111 SER H H 9.32 0.005 1 514 111 111 SER C C 176.59 0.050 1 515 111 111 SER CA C 61.27 0.050 1 516 111 111 SER CB C 62.45 0.050 1 517 111 111 SER N N 117.95 0.050 1 518 112 112 ILE H H 7.49 0.005 1 519 112 112 ILE C C 175.55 0.050 1 520 112 112 ILE CA C 59.91 0.050 1 521 112 112 ILE CB C 37.20 0.050 1 522 112 112 ILE N N 113.78 0.050 1 523 113 113 GLN H H 7.32 0.005 1 524 113 113 GLN C C 175.21 0.050 1 525 113 113 GLN CA C 52.18 0.050 1 526 113 113 GLN CB C 31.01 0.050 1 527 113 113 GLN N N 121.54 0.050 1 528 115 115 GLY C C 175.28 0.050 1 529 115 115 GLY CA C 45.83 0.050 1 530 116 116 GLY H H 8.31 0.005 1 531 116 116 GLY C C 175.43 0.050 1 532 116 116 GLY CA C 45.79 0.050 1 533 116 116 GLY N N 110.08 0.050 1 534 117 117 GLN H H 6.63 0.005 1 535 117 117 GLN C C 173.13 0.050 1 536 117 117 GLN CA C 54.52 0.050 1 537 117 117 GLN CB C 30.11 0.050 1 538 117 117 GLN N N 117.06 0.050 1 539 118 118 ALA H H 7.74 0.005 1 540 118 118 ALA C C 176.47 0.050 1 541 118 118 ALA CA C 50.60 0.050 1 542 118 118 ALA CB C 16.36 0.050 1 543 118 118 ALA N N 118.79 0.050 1 544 119 119 PRO C C 173.41 0.050 1 545 119 119 PRO CA C 61.60 0.050 1 546 119 119 PRO CB C 32.35 0.050 1 547 120 120 VAL H H 8.65 0.005 1 548 120 120 VAL C C 175.04 0.050 1 549 120 120 VAL CA C 58.64 0.050 1 550 120 120 VAL CB C 33.68 0.050 1 551 120 120 VAL N N 109.90 0.050 1 552 121 121 SER H H 7.56 0.005 1 553 121 121 SER C C 174.00 0.050 1 554 121 121 SER CA C 55.29 0.050 1 555 121 121 SER CB C 63.20 0.050 1 556 121 121 SER N N 106.44 0.050 1 557 122 122 ALA H H 7.65 0.005 1 558 122 122 ALA C C 176.52 0.050 1 559 122 122 ALA CA C 55.05 0.050 1 560 122 122 ALA CB C 15.93 0.050 1 561 122 122 ALA N N 122.65 0.050 1 562 123 123 SER H H 6.92 0.005 1 563 123 123 SER C C 171.85 0.050 1 564 123 123 SER CA C 56.34 0.050 1 565 123 123 SER CB C 66.81 0.050 1 566 123 123 SER N N 105.99 0.050 1 567 124 124 ALA H H 8.87 0.005 1 568 124 124 ALA C C 175.43 0.050 1 569 124 124 ALA CA C 50.79 0.050 1 570 124 124 ALA CB C 16.04 0.050 1 571 124 124 ALA N N 128.06 0.050 1 572 125 125 LEU H H 7.11 0.005 1 573 125 125 LEU C C 175.02 0.050 1 574 125 125 LEU CA C 52.44 0.050 1 575 125 125 LEU CB C 43.18 0.050 1 576 125 125 LEU N N 123.05 0.050 1 577 126 126 ASN H H 8.88 0.005 1 578 126 126 ASN C C 174.68 0.050 1 579 126 126 ASN CA C 54.53 0.050 1 580 126 126 ASN CB C 38.42 0.050 1 581 126 126 ASN N N 122.16 0.050 1 582 127 127 ALA H H 8.69 0.005 1 583 127 127 ALA C C 178.04 0.050 1 584 127 127 ALA CA C 52.95 0.050 1 585 127 127 ALA CB C 19.10 0.050 1 586 127 127 ALA N N 126.45 0.050 1 587 128 128 ASN H H 10.09 0.005 1 588 128 128 ASN C C 173.66 0.050 1 589 128 128 ASN CA C 53.05 0.050 1 590 128 128 ASN CB C 36.17 0.050 1 591 128 128 ASN N N 114.73 0.050 1 592 129 129 THR H H 6.97 0.005 1 593 129 129 THR C C 171.96 0.050 1 594 129 129 THR CA C 58.63 0.050 1 595 129 129 THR CB C 69.30 0.050 1 596 129 129 THR N N 109.84 0.050 1 597 130 130 ARG H H 8.07 0.005 1 598 130 130 ARG C C 175.83 0.050 1 599 130 130 ARG CA C 54.72 0.050 1 600 130 130 ARG CB C 32.30 0.050 1 601 130 130 ARG N N 119.38 0.050 1 602 131 131 THR H H 8.72 0.005 1 603 131 131 THR C C 173.41 0.050 1 604 131 131 THR CA C 57.32 0.050 1 605 131 131 THR CB C 69.01 0.050 1 606 131 131 THR N N 115.08 0.050 1 607 132 132 SER H H 8.00 0.005 1 608 132 132 SER CA C 56.74 0.050 1 609 132 132 SER CB C 64.39 0.050 1 610 132 132 SER N N 118.42 0.050 1 611 133 133 LEU H H 8.74 0.005 1 612 133 133 LEU C C 177.18 0.050 1 613 133 133 LEU CA C 52.80 0.050 1 614 133 133 LEU CB C 41.14 0.050 1 615 133 133 LEU N N 125.82 0.050 1 616 134 134 ARG H H 8.60 0.005 1 617 134 134 ARG C C 176.63 0.050 1 618 134 134 ARG CA C 54.79 0.050 1 619 134 134 ARG CB C 33.87 0.050 1 620 134 134 ARG N N 122.52 0.050 1 621 135 135 ASP H H 8.76 0.005 1 622 135 135 ASP C C 178.22 0.050 1 623 135 135 ASP CA C 51.62 0.050 1 624 135 135 ASP CB C 40.38 0.050 1 625 135 135 ASP N N 121.89 0.050 1 626 136 136 GLU H H 9.18 0.005 1 627 136 136 GLU C C 176.90 0.050 1 628 136 136 GLU CA C 58.37 0.050 1 629 136 136 GLU CB C 27.89 0.050 1 630 136 136 GLU N N 118.02 0.050 1 631 137 137 ASN H H 8.09 0.005 1 632 137 137 ASN C C 175.16 0.050 1 633 137 137 ASN CA C 52.62 0.050 1 634 137 137 ASN CB C 39.43 0.050 1 635 137 137 ASN N N 117.11 0.050 1 636 138 138 GLY H H 8.11 0.005 1 637 138 138 GLY C C 174.00 0.050 1 638 138 138 GLY CA C 45.01 0.050 1 639 138 138 GLY N N 108.43 0.050 1 640 139 139 ASN H H 8.50 0.005 1 641 139 139 ASN C C 174.78 0.050 1 642 139 139 ASN CA C 52.45 0.050 1 643 139 139 ASN CB C 38.58 0.050 1 644 139 139 ASN N N 120.82 0.050 1 645 140 140 ALA H H 8.81 0.005 1 646 140 140 ALA C C 177.61 0.050 1 647 140 140 ALA CA C 52.27 0.050 1 648 140 140 ALA CB C 17.40 0.050 1 649 140 140 ALA N N 124.92 0.050 1 650 141 141 ILE H H 8.31 0.005 1 651 141 141 ILE C C 174.30 0.050 1 652 141 141 ILE CA C 59.07 0.050 1 653 141 141 ILE CB C 41.12 0.050 1 654 141 141 ILE N N 119.91 0.050 1 655 142 142 ARG H H 8.52 0.005 1 656 142 142 ARG C C 176.39 0.050 1 657 142 142 ARG CA C 54.05 0.050 1 658 142 142 ARG CB C 29.72 0.050 1 659 142 142 ARG N N 123.62 0.050 1 660 143 143 VAL H H 8.42 0.005 1 661 143 143 VAL C C 174.12 0.050 1 662 143 143 VAL CA C 59.56 0.050 1 663 143 143 VAL CB C 35.50 0.050 1 664 143 143 VAL N N 120.24 0.050 1 665 144 144 ASP H H 8.45 0.005 1 666 144 144 ASP C C 176.79 0.050 1 667 144 144 ASP CA C 55.39 0.050 1 668 144 144 ASP CB C 40.31 0.050 1 669 144 144 ASP N N 125.06 0.050 1 670 145 145 THR H H 8.03 0.005 1 671 145 145 THR C C 175.91 0.050 1 672 145 145 THR CA C 61.52 0.050 1 673 145 145 THR CB C 69.36 0.050 1 674 145 145 THR N N 112.02 0.050 1 675 146 146 THR H H 7.70 0.005 1 676 146 146 THR C C 175.35 0.050 1 677 146 146 THR CA C 61.70 0.050 1 678 146 146 THR CB C 69.16 0.050 1 679 146 146 THR N N 119.01 0.050 1 680 147 147 THR H H 9.06 0.005 1 681 147 147 THR C C 171.40 0.050 1 682 147 147 THR CA C 61.79 0.050 1 683 147 147 THR CB C 68.90 0.050 1 684 147 147 THR N N 127.44 0.050 1 685 148 148 PRO C C 175.43 0.050 1 686 148 148 PRO CA C 62.04 0.050 1 687 148 148 PRO CB C 32.44 0.050 1 688 149 149 ARG H H 8.85 0.005 1 689 149 149 ARG C C 174.77 0.050 1 690 149 149 ARG CA C 53.09 0.050 1 691 149 149 ARG CB C 31.80 0.050 1 692 149 149 ARG N N 117.56 0.050 1 693 150 150 ALA H H 8.46 0.005 1 694 150 150 ALA C C 178.65 0.050 1 695 150 150 ALA CA C 50.61 0.050 1 696 150 150 ALA CB C 18.36 0.050 1 697 150 150 ALA N N 124.94 0.050 1 698 151 151 LEU H H 8.14 0.005 1 699 151 151 LEU C C 178.78 0.050 1 700 151 151 LEU CA C 55.25 0.050 1 701 151 151 LEU CB C 42.39 0.050 1 702 151 151 LEU N N 122.74 0.050 1 703 152 152 GLU H H 9.94 0.005 1 704 152 152 GLU C C 178.71 0.050 1 705 152 152 GLU CA C 54.77 0.050 1 706 152 152 GLU CB C 28.97 0.050 1 707 152 152 GLU N N 126.15 0.050 1 708 153 153 LEU H H 9.24 0.005 1 709 153 153 LEU C C 180.27 0.050 1 710 153 153 LEU CA C 58.41 0.050 1 711 153 153 LEU CB C 40.74 0.050 1 712 153 153 LEU N N 124.61 0.050 1 713 154 154 ASP H H 8.53 0.005 1 714 154 154 ASP C C 177.60 0.050 1 715 154 154 ASP CA C 55.28 0.050 1 716 154 154 ASP CB C 39.39 0.050 1 717 154 154 ASP N N 114.51 0.050 1 718 155 155 GLU H H 7.87 0.005 1 719 155 155 GLU C C 178.65 0.050 1 720 155 155 GLU CA C 56.76 0.050 1 721 155 155 GLU CB C 31.85 0.050 1 722 155 155 GLU N N 117.36 0.050 1 723 156 156 ILE H H 7.43 0.005 1 724 156 156 ILE C C 174.86 0.050 1 725 156 156 ILE CA C 66.57 0.050 1 726 156 156 ILE CB C 33.84 0.050 1 727 156 156 ILE N N 122.62 0.050 1 728 157 157 PRO C C 179.25 0.050 1 729 157 157 PRO CA C 65.43 0.050 1 730 157 157 PRO CB C 29.76 0.050 1 731 158 158 GLY H H 7.62 0.005 1 732 158 158 GLY C C 175.68 0.050 1 733 158 158 GLY CA C 46.63 0.050 1 734 158 158 GLY N N 106.64 0.050 1 735 159 159 ILE H H 7.44 0.005 1 736 159 159 ILE C C 178.87 0.050 1 737 159 159 ILE CA C 62.51 0.050 1 738 159 159 ILE CB C 35.19 0.050 1 739 159 159 ILE N N 123.10 0.050 1 740 160 160 VAL H H 7.65 0.005 1 741 160 160 VAL C C 178.21 0.050 1 742 160 160 VAL CA C 67.44 0.050 1 743 160 160 VAL CB C 30.44 0.050 1 744 160 160 VAL N N 120.21 0.050 1 745 161 161 ASN H H 8.40 0.005 1 746 161 161 ASN C C 176.95 0.050 1 747 161 161 ASN CA C 56.18 0.050 1 748 161 161 ASN CB C 38.31 0.050 1 749 161 161 ASN N N 116.90 0.050 1 750 162 162 ASP H H 8.48 0.005 1 751 162 162 ASP C C 179.73 0.050 1 752 162 162 ASP CA C 57.65 0.050 1 753 162 162 ASP CB C 39.07 0.050 1 754 162 162 ASP N N 122.34 0.050 1 755 163 163 PHE H H 8.23 0.005 1 756 163 163 PHE C C 177.38 0.050 1 757 163 163 PHE CA C 63.58 0.050 1 758 163 163 PHE CB C 39.31 0.050 1 759 163 163 PHE N N 120.65 0.050 1 760 164 164 ARG H H 8.45 0.005 1 761 164 164 ARG C C 178.02 0.050 1 762 164 164 ARG CA C 60.76 0.050 1 763 164 164 ARG CB C 28.69 0.050 1 764 164 164 ARG N N 119.14 0.050 1 765 165 165 GLN H H 9.17 0.005 1 766 165 165 GLN C C 178.05 0.050 1 767 165 165 GLN CA C 57.29 0.050 1 768 165 165 GLN CB C 27.95 0.050 1 769 165 165 GLN N N 118.94 0.050 1 770 166 166 ALA H H 8.30 0.005 1 771 166 166 ALA C C 179.52 0.050 1 772 166 166 ALA CA C 55.09 0.050 1 773 166 166 ALA CB C 18.39 0.050 1 774 166 166 ALA N N 122.19 0.050 1 775 167 167 VAL H H 7.99 0.005 1 776 167 167 VAL C C 177.15 0.050 1 777 167 167 VAL CA C 67.16 0.050 1 778 167 167 VAL CB C 29.97 0.050 1 779 167 167 VAL N N 119.88 0.050 1 780 168 168 ALA H H 7.89 0.005 1 781 168 168 ALA C C 181.30 0.050 1 782 168 168 ALA CA C 55.17 0.050 1 783 168 168 ALA CB C 16.26 0.050 1 784 168 168 ALA N N 124.31 0.050 1 785 169 169 ASN H H 8.74 0.005 1 786 169 169 ASN C C 176.95 0.050 1 787 169 169 ASN CA C 54.72 0.050 1 788 169 169 ASN CB C 36.55 0.050 1 789 169 169 ASN N N 119.33 0.050 1 790 170 170 ALA H H 8.68 0.005 1 791 170 170 ALA C C 178.96 0.050 1 792 170 170 ALA CA C 55.04 0.050 1 793 170 170 ALA CB C 18.23 0.050 1 794 170 170 ALA N N 125.39 0.050 1 795 171 171 ARG H H 7.64 0.005 1 796 171 171 ARG C C 180.95 0.050 1 797 171 171 ARG CA C 58.39 0.050 1 798 171 171 ARG CB C 27.73 0.050 1 799 171 171 ARG N N 120.16 0.050 1 800 172 172 GLU H H 7.80 0.005 1 801 172 172 GLU C C 177.88 0.050 1 802 172 172 GLU CA C 58.49 0.050 1 803 172 172 GLU CB C 28.19 0.050 1 804 172 172 GLU N N 122.74 0.050 1 805 173 173 ALA H H 8.54 0.005 1 806 173 173 ALA C C 175.72 0.050 1 807 173 173 ALA CA C 51.88 0.050 1 808 173 173 ALA CB C 18.50 0.050 1 809 173 173 ALA N N 118.75 0.050 1 810 174 174 GLY H H 7.50 0.005 1 811 174 174 GLY C C 174.85 0.050 1 812 174 174 GLY CA C 45.56 0.050 1 813 174 174 GLY N N 104.57 0.050 1 814 175 175 PHE H H 7.75 0.005 1 815 175 175 PHE C C 175.29 0.050 1 816 175 175 PHE CA C 60.61 0.050 1 817 175 175 PHE CB C 38.29 0.050 1 818 175 175 PHE N N 116.18 0.050 1 819 176 176 ASP H H 9.20 0.005 1 820 176 176 ASP C C 175.22 0.050 1 821 176 176 ASP CA C 56.71 0.050 1 822 176 176 ASP CB C 43.18 0.050 1 823 176 176 ASP N N 117.24 0.050 1 824 177 177 LEU H H 7.43 0.005 1 825 177 177 LEU C C 175.14 0.050 1 826 177 177 LEU CA C 52.76 0.050 1 827 177 177 LEU CB C 48.62 0.050 1 828 177 177 LEU N N 111.69 0.050 1 829 178 178 VAL H H 8.69 0.005 1 830 178 178 VAL C C 172.34 0.050 1 831 178 178 VAL CA C 59.87 0.050 1 832 178 178 VAL CB C 34.62 0.050 1 833 178 178 VAL N N 118.17 0.050 1 834 179 179 GLU H H 9.30 0.005 1 835 179 179 GLU C C 176.05 0.050 1 836 179 179 GLU CA C 53.78 0.050 1 837 179 179 GLU CB C 31.98 0.050 1 838 179 179 GLU N N 125.07 0.050 1 839 180 180 LEU H H 8.69 0.005 1 840 180 180 LEU C C 176.55 0.050 1 841 180 180 LEU CA C 53.77 0.050 1 842 180 180 LEU CB C 41.98 0.050 1 843 180 180 LEU N N 126.50 0.050 1 844 181 181 HIS H H 8.98 0.005 1 845 181 181 HIS C C 175.62 0.050 1 846 181 181 HIS CA C 55.28 0.050 1 847 181 181 HIS CB C 30.09 0.050 1 848 181 181 HIS N N 123.94 0.050 1 849 182 182 SER H H 8.61 0.005 1 850 182 182 SER C C 176.13 0.050 1 851 182 182 SER CA C 54.25 0.050 1 852 182 182 SER CB C 64.68 0.050 1 853 182 182 SER N N 127.76 0.050 1 854 183 183 ALA H H 8.37 0.005 1 855 183 183 ALA C C 177.50 0.050 1 856 183 183 ALA CA C 49.36 0.050 1 857 183 183 ALA CB C 22.62 0.050 1 858 183 183 ALA N N 124.23 0.050 1 859 184 184 HIS C C 171.40 0.050 1 860 184 184 HIS CA C 54.88 0.050 1 861 184 184 HIS CB C 28.36 0.050 1 862 185 185 GLY H H 11.73 0.005 1 863 185 185 GLY C C 176.89 0.050 1 864 185 185 GLY CA C 45.46 0.050 1 865 185 185 GLY N N 108.58 0.050 1 866 186 186 TYR H H 7.21 0.005 1 867 186 186 TYR C C 175.85 0.050 1 868 186 186 TYR CA C 60.77 0.050 1 869 186 186 TYR CB C 34.55 0.050 1 870 186 186 TYR N N 118.99 0.050 1 871 187 187 LEU H H 8.63 0.005 1 872 187 187 LEU C C 177.51 0.050 1 873 187 187 LEU CA C 60.48 0.050 1 874 187 187 LEU CB C 41.63 0.050 1 875 187 187 LEU N N 116.24 0.050 1 876 188 188 LEU H H 7.01 0.005 1 877 188 188 LEU C C 178.30 0.050 1 878 188 188 LEU CA C 58.37 0.050 1 879 188 188 LEU CB C 40.42 0.050 1 880 188 188 LEU N N 112.75 0.050 1 881 189 189 HIS H H 7.92 0.005 1 882 189 189 HIS C C 176.12 0.050 1 883 189 189 HIS CA C 56.79 0.050 1 884 189 189 HIS CB C 32.07 0.050 1 885 189 189 HIS N N 121.14 0.050 1 886 190 190 GLN H H 9.01 0.005 1 887 190 190 GLN C C 179.43 0.050 1 888 190 190 GLN CA C 56.60 0.050 1 889 190 190 GLN CB C 25.89 0.050 1 890 190 190 GLN N N 116.07 0.050 1 891 191 191 PHE H H 7.57 0.005 1 892 191 191 PHE C C 176.68 0.050 1 893 191 191 PHE CA C 60.18 0.050 1 894 191 191 PHE CB C 38.98 0.050 1 895 191 191 PHE N N 114.93 0.050 1 896 192 192 LEU H H 7.60 0.005 1 897 192 192 LEU C C 178.41 0.050 1 898 192 192 LEU CA C 57.64 0.050 1 899 192 192 LEU CB C 42.90 0.050 1 900 192 192 LEU N N 118.05 0.050 1 901 193 193 SER H H 7.86 0.005 1 902 193 193 SER CA C 54.64 0.050 1 903 193 193 SER CB C 63.44 0.050 1 904 193 193 SER N N 113.30 0.050 1 905 194 194 PRO C C 176.62 0.050 1 906 195 195 SER H H 8.06 0.005 1 907 195 195 SER C C 175.06 0.050 1 908 195 195 SER CA C 59.73 0.050 1 909 195 195 SER CB C 62.60 0.050 1 910 195 195 SER N N 114.51 0.050 1 911 196 196 SER H H 7.26 0.005 1 912 196 196 SER C C 172.80 0.050 1 913 196 196 SER CA C 57.70 0.050 1 914 196 196 SER CB C 62.81 0.050 1 915 196 196 SER N N 113.06 0.050 1 916 197 197 ASN H H 7.51 0.005 1 917 197 197 ASN C C 175.41 0.050 1 918 197 197 ASN CA C 51.73 0.050 1 919 197 197 ASN CB C 37.19 0.050 1 920 197 197 ASN N N 121.56 0.050 1 921 198 198 GLN H H 8.52 0.005 1 922 198 198 GLN C C 176.88 0.050 1 923 198 198 GLN CA C 52.94 0.050 1 924 198 198 GLN CB C 27.09 0.050 1 925 198 198 GLN N N 123.61 0.050 1 926 199 199 ARG H H 8.66 0.005 1 927 199 199 ARG C C 177.76 0.050 1 928 199 199 ARG CA C 57.40 0.050 1 929 199 199 ARG CB C 32.43 0.050 1 930 199 199 ARG N N 121.05 0.050 1 931 200 200 THR H H 8.45 0.005 1 932 200 200 THR C C 174.49 0.050 1 933 200 200 THR CA C 59.68 0.050 1 934 200 200 THR CB C 68.15 0.050 1 935 200 200 THR N N 108.81 0.050 1 936 201 201 ASP H H 6.87 0.005 1 937 201 201 ASP C C 176.60 0.050 1 938 201 201 ASP CA C 51.74 0.050 1 939 201 201 ASP CB C 41.08 0.050 1 940 201 201 ASP N N 122.09 0.050 1 941 202 202 GLN H H 9.20 0.005 1 942 202 202 GLN C C 175.11 0.050 1 943 202 202 GLN CA C 57.14 0.050 1 944 202 202 GLN CB C 26.33 0.050 1 945 202 202 GLN N N 115.84 0.050 1 946 203 203 TYR H H 8.40 0.005 1 947 203 203 TYR C C 174.92 0.050 1 948 203 203 TYR CA C 58.54 0.050 1 949 203 203 TYR CB C 37.42 0.050 1 950 203 203 TYR N N 118.54 0.050 1 951 204 204 GLY H H 7.88 0.005 1 952 204 204 GLY C C 171.71 0.050 1 953 204 204 GLY CA C 44.35 0.050 1 954 204 204 GLY N N 105.40 0.050 1 955 205 205 GLY H H 8.62 0.005 1 956 205 205 GLY C C 173.91 0.050 1 957 205 205 GLY CA C 45.38 0.050 1 958 205 205 GLY N N 107.92 0.050 1 959 206 206 SER C C 174.59 0.050 1 960 206 206 SER CA C 56.71 0.050 1 961 206 206 SER CB C 64.27 0.050 1 962 207 207 VAL H H 9.06 0.005 1 963 207 207 VAL C C 175.58 0.050 1 964 207 207 VAL CA C 65.30 0.050 1 965 207 207 VAL CB C 30.23 0.050 1 966 207 207 VAL N N 123.62 0.050 1 967 208 208 GLU H H 8.43 0.005 1 968 208 208 GLU C C 178.77 0.050 1 969 208 208 GLU CA C 58.81 0.050 1 970 208 208 GLU CB C 27.63 0.050 1 971 208 208 GLU N N 121.40 0.050 1 972 209 209 ASN H H 7.29 0.005 1 973 209 209 ASN C C 177.85 0.050 1 974 209 209 ASN CA C 54.27 0.050 1 975 209 209 ASN CB C 36.91 0.050 1 976 209 209 ASN N N 120.01 0.050 1 977 210 210 ARG H H 8.57 0.005 1 978 210 210 ARG C C 179.44 0.050 1 979 210 210 ARG CA C 60.28 0.050 1 980 210 210 ARG CB C 29.10 0.050 1 981 210 210 ARG N N 121.01 0.050 1 982 211 211 ALA H H 8.46 0.005 1 983 211 211 ALA C C 176.48 0.050 1 984 211 211 ALA CA C 52.01 0.050 1 985 211 211 ALA CB C 17.95 0.050 1 986 211 211 ALA N N 120.15 0.050 1 987 212 212 ARG H H 7.23 0.005 1 988 212 212 ARG C C 179.00 0.050 1 989 212 212 ARG CA C 60.69 0.050 1 990 212 212 ARG CB C 29.95 0.050 1 991 212 212 ARG N N 121.14 0.050 1 992 213 213 LEU H H 9.58 0.005 1 993 213 213 LEU C C 178.03 0.050 1 994 213 213 LEU CA C 58.10 0.050 1 995 213 213 LEU CB C 39.96 0.050 1 996 213 213 LEU N N 118.15 0.050 1 997 214 214 VAL H H 7.35 0.005 1 998 214 214 VAL C C 176.78 0.050 1 999 214 214 VAL CA C 66.16 0.050 1 1000 214 214 VAL CB C 30.28 0.050 1 1001 214 214 VAL N N 116.04 0.050 1 1002 215 215 LEU H H 7.82 0.005 1 1003 215 215 LEU C C 178.24 0.050 1 1004 215 215 LEU CA C 57.33 0.050 1 1005 215 215 LEU CB C 39.13 0.050 1 1006 215 215 LEU N N 119.41 0.050 1 1007 216 216 GLU H H 8.51 0.005 1 1008 216 216 GLU C C 181.41 0.050 1 1009 216 216 GLU CA C 59.54 0.050 1 1010 216 216 GLU CB C 29.11 0.050 1 1011 216 216 GLU N N 120.76 0.050 1 1012 217 217 VAL H H 8.41 0.005 1 1013 217 217 VAL C C 177.37 0.050 1 1014 217 217 VAL CA C 67.17 0.050 1 1015 217 217 VAL CB C 29.91 0.050 1 1016 217 217 VAL N N 121.53 0.050 1 1017 218 218 VAL H H 8.66 0.005 1 1018 218 218 VAL C C 178.01 0.050 1 1019 218 218 VAL CA C 66.75 0.050 1 1020 218 218 VAL CB C 30.52 0.050 1 1021 218 218 VAL N N 119.92 0.050 1 1022 219 219 ASP H H 8.78 0.005 1 1023 219 219 ASP C C 178.93 0.050 1 1024 219 219 ASP CA C 57.85 0.050 1 1025 219 219 ASP CB C 38.97 0.050 1 1026 219 219 ASP N N 120.69 0.050 1 1027 220 220 ALA H H 8.05 0.005 1 1028 220 220 ALA C C 181.82 0.050 1 1029 220 220 ALA CA C 54.83 0.050 1 1030 220 220 ALA CB C 18.18 0.050 1 1031 220 220 ALA N N 122.25 0.050 1 1032 221 221 VAL H H 8.75 0.005 1 1033 221 221 VAL C C 178.24 0.050 1 1034 221 221 VAL CA C 64.79 0.050 1 1035 221 221 VAL CB C 30.40 0.050 1 1036 221 221 VAL N N 113.16 0.050 1 1037 222 222 CYS H H 8.34 0.005 1 1038 222 222 CYS C C 175.91 0.050 1 1039 222 222 CYS CA C 64.09 0.050 1 1040 222 222 CYS CB C 26.73 0.050 1 1041 222 222 CYS N N 120.99 0.050 1 1042 223 223 ASN H H 7.32 0.005 1 1043 223 223 ASN C C 176.32 0.050 1 1044 223 223 ASN CA C 55.13 0.050 1 1045 223 223 ASN CB C 38.73 0.050 1 1046 223 223 ASN N N 114.43 0.050 1 1047 224 224 GLU H H 7.66 0.005 1 1048 224 224 GLU C C 175.98 0.050 1 1049 224 224 GLU CA C 57.27 0.050 1 1050 224 224 GLU CB C 29.71 0.050 1 1051 224 224 GLU N N 119.12 0.050 1 1052 225 225 TRP H H 7.64 0.005 1 1053 225 225 TRP C C 172.13 0.050 1 1054 225 225 TRP CA C 53.65 0.050 1 1055 225 225 TRP CB C 29.92 0.050 1 1056 225 225 TRP N N 120.15 0.050 1 1057 226 226 SER H H 7.01 0.005 1 1058 226 226 SER C C 175.34 0.050 1 1059 226 226 SER CA C 57.13 0.050 1 1060 226 226 SER CB C 62.93 0.050 1 1061 226 226 SER N N 111.71 0.050 1 1062 227 227 ALA H H 9.22 0.005 1 1063 227 227 ALA C C 177.80 0.050 1 1064 227 227 ALA CA C 55.73 0.050 1 1065 227 227 ALA CB C 17.61 0.050 1 1066 227 227 ALA N N 129.87 0.050 1 1067 228 228 ASP H H 7.70 0.005 1 1068 228 228 ASP C C 175.13 0.050 1 1069 228 228 ASP CA C 54.21 0.050 1 1070 228 228 ASP CB C 38.50 0.050 1 1071 228 228 ASP N N 112.30 0.050 1 1072 229 229 ARG H H 7.32 0.005 1 1073 229 229 ARG C C 174.04 0.050 1 1074 229 229 ARG CA C 53.15 0.050 1 1075 229 229 ARG CB C 30.34 0.050 1 1076 229 229 ARG N N 116.88 0.050 1 1077 230 230 ILE H H 7.35 0.005 1 1078 230 230 ILE C C 173.96 0.050 1 1079 230 230 ILE CA C 57.47 0.050 1 1080 230 230 ILE CB C 36.68 0.050 1 1081 230 230 ILE N N 119.64 0.050 1 1082 231 231 GLY H H 9.06 0.005 1 1083 231 231 GLY C C 172.93 0.050 1 1084 231 231 GLY CA C 40.65 0.050 1 1085 231 231 GLY N N 112.80 0.050 1 1086 232 232 ILE H H 7.09 0.005 1 1087 232 232 ILE C C 170.63 0.050 1 1088 232 232 ILE CA C 58.60 0.050 1 1089 232 232 ILE CB C 41.24 0.050 1 1090 232 232 ILE N N 115.84 0.050 1 1091 233 233 ARG H H 8.80 0.005 1 1092 233 233 ARG C C 174.83 0.050 1 1093 233 233 ARG CA C 53.45 0.050 1 1094 233 233 ARG CB C 31.45 0.050 1 1095 233 233 ARG N N 129.12 0.050 1 1096 234 234 VAL H H 8.51 0.005 1 1097 234 234 VAL C C 173.82 0.050 1 1098 234 234 VAL CA C 58.07 0.050 1 1099 234 234 VAL CB C 34.13 0.050 1 1100 234 234 VAL N N 115.70 0.050 1 1101 235 235 SER H H 9.99 0.005 1 1102 235 235 SER C C 174.94 0.050 1 1103 235 235 SER CA C 52.54 0.050 1 1104 235 235 SER CB C 64.32 0.050 1 1105 235 235 SER N N 115.78 0.050 1 1106 236 236 PRO C C 174.42 0.050 1 1107 236 236 PRO CA C 63.95 0.050 1 1108 236 236 PRO CB C 32.32 0.050 1 1109 237 237 ILE H H 7.47 0.005 1 1110 237 237 ILE C C 176.65 0.050 1 1111 237 237 ILE CA C 57.62 0.050 1 1112 237 237 ILE CB C 37.72 0.050 1 1113 237 237 ILE N N 118.94 0.050 1 1114 238 238 GLY H H 10.06 0.005 1 1115 238 238 GLY C C 173.05 0.050 1 1116 238 238 GLY CA C 43.46 0.050 1 1117 238 238 GLY N N 117.96 0.050 1 1118 239 239 THR H H 8.10 0.005 1 1119 239 239 THR C C 173.75 0.050 1 1120 239 239 THR CA C 61.37 0.050 1 1121 239 239 THR CB C 69.53 0.050 1 1122 239 239 THR N N 115.25 0.050 1 1123 240 240 PHE H H 8.56 0.005 1 1124 240 240 PHE C C 174.47 0.050 1 1125 240 240 PHE CA C 56.24 0.050 1 1126 240 240 PHE CB C 42.19 0.050 1 1127 240 240 PHE N N 124.56 0.050 1 1128 241 241 GLN H H 9.21 0.005 1 1129 241 241 GLN C C 174.72 0.050 1 1130 241 241 GLN CA C 56.80 0.050 1 1131 241 241 GLN CB C 26.32 0.050 1 1132 241 241 GLN N N 122.20 0.050 1 1133 242 242 ASN H H 8.59 0.005 1 1134 242 242 ASN C C 174.26 0.050 1 1135 242 242 ASN CA C 54.19 0.050 1 1136 242 242 ASN CB C 37.41 0.050 1 1137 242 242 ASN N N 108.55 0.050 1 1138 243 243 VAL H H 8.16 0.005 1 1139 243 243 VAL C C 173.86 0.050 1 1140 243 243 VAL CA C 62.84 0.050 1 1141 243 243 VAL CB C 30.73 0.050 1 1142 243 243 VAL N N 122.95 0.050 1 1143 244 244 ASP H H 7.58 0.005 1 1144 244 244 ASP C C 176.33 0.050 1 1145 244 244 ASP CA C 52.04 0.050 1 1146 244 244 ASP CB C 41.86 0.050 1 1147 244 244 ASP N N 126.01 0.050 1 1148 245 245 ASN H H 8.67 0.005 1 1149 245 245 ASN C C 176.50 0.050 1 1150 245 245 ASN CA C 54.48 0.050 1 1151 245 245 ASN CB C 41.58 0.050 1 1152 245 245 ASN N N 119.99 0.050 1 1153 246 246 GLY H H 8.65 0.005 1 1154 246 246 GLY C C 172.34 0.050 1 1155 246 246 GLY CA C 45.04 0.050 1 1156 246 246 GLY N N 109.39 0.050 1 1157 247 247 PRO C C 177.18 0.050 1 1158 247 247 PRO CA C 63.88 0.050 1 1159 247 247 PRO CB C 31.02 0.050 1 1160 248 248 ASN H H 8.36 0.005 1 1161 248 248 ASN C C 176.07 0.050 1 1162 248 248 ASN CA C 51.18 0.050 1 1163 248 248 ASN CB C 38.45 0.050 1 1164 248 248 ASN N N 121.58 0.050 1 1165 249 249 GLU H H 7.00 0.005 1 1166 249 249 GLU C C 178.42 0.050 1 1167 249 249 GLU CA C 59.37 0.050 1 1168 249 249 GLU CB C 27.72 0.050 1 1169 249 249 GLU N N 115.86 0.050 1 1170 250 250 GLU H H 8.44 0.005 1 1171 250 250 GLU C C 177.29 0.050 1 1172 250 250 GLU CA C 60.48 0.050 1 1173 250 250 GLU CB C 28.46 0.050 1 1174 250 250 GLU N N 122.38 0.050 1 1175 251 251 ALA H H 8.36 0.005 1 1176 251 251 ALA C C 181.89 0.050 1 1177 251 251 ALA CA C 54.98 0.050 1 1178 251 251 ALA CB C 17.41 0.050 1 1179 251 251 ALA N N 122.62 0.050 1 1180 252 252 ASP H H 8.78 0.005 1 1181 252 252 ASP C C 179.45 0.050 1 1182 252 252 ASP CA C 57.22 0.050 1 1183 252 252 ASP CB C 38.86 0.050 1 1184 252 252 ASP N N 120.21 0.050 1 1185 253 253 ALA H H 8.21 0.005 1 1186 253 253 ALA C C 179.70 0.050 1 1187 253 253 ALA CA C 54.43 0.050 1 1188 253 253 ALA CB C 17.79 0.050 1 1189 253 253 ALA N N 124.56 0.050 1 1190 254 254 LEU H H 8.23 0.005 1 1191 254 254 LEU C C 179.00 0.050 1 1192 254 254 LEU CA C 57.73 0.050 1 1193 254 254 LEU CB C 39.14 0.050 1 1194 254 254 LEU N N 117.21 0.050 1 1195 255 255 TYR H H 7.83 0.005 1 1196 255 255 TYR C C 176.39 0.050 1 1197 255 255 TYR CA C 61.04 0.050 1 1198 255 255 TYR CB C 36.66 0.050 1 1199 255 255 TYR N N 120.40 0.050 1 1200 256 256 LEU H H 7.37 0.005 1 1201 256 256 LEU C C 178.57 0.050 1 1202 256 256 LEU CA C 57.56 0.050 1 1203 256 256 LEU CB C 40.17 0.050 1 1204 256 256 LEU N N 120.05 0.050 1 1205 257 257 ILE H H 8.66 0.005 1 1206 257 257 ILE C C 177.33 0.050 1 1207 257 257 ILE CA C 65.89 0.050 1 1208 257 257 ILE CB C 37.48 0.050 1 1209 257 257 ILE N N 118.43 0.050 1 1210 258 258 GLU H H 8.26 0.005 1 1211 258 258 GLU C C 179.89 0.050 1 1212 258 258 GLU CA C 59.40 0.050 1 1213 258 258 GLU CB C 28.65 0.050 1 1214 258 258 GLU N N 120.67 0.050 1 1215 259 259 GLU H H 7.75 0.005 1 1216 259 259 GLU C C 180.80 0.050 1 1217 259 259 GLU CA C 58.75 0.050 1 1218 259 259 GLU CB C 29.32 0.050 1 1219 259 259 GLU N N 118.83 0.050 1 1220 260 260 LEU H H 8.89 0.005 1 1221 260 260 LEU C C 179.77 0.050 1 1222 260 260 LEU CA C 57.72 0.050 1 1223 260 260 LEU CB C 40.80 0.050 1 1224 260 260 LEU N N 122.44 0.050 1 1225 261 261 ALA H H 8.61 0.005 1 1226 261 261 ALA C C 181.43 0.050 1 1227 261 261 ALA CA C 54.34 0.050 1 1228 261 261 ALA CB C 18.67 0.050 1 1229 261 261 ALA N N 121.29 0.050 1 1230 262 262 LYS H H 7.37 0.005 1 1231 262 262 LYS C C 177.87 0.050 1 1232 262 262 LYS CA C 58.40 0.050 1 1233 262 262 LYS CB C 31.80 0.050 1 1234 262 262 LYS N N 116.64 0.050 1 1235 263 263 ARG H H 7.32 0.005 1 1236 263 263 ARG C C 177.70 0.050 1 1237 263 263 ARG CA C 57.55 0.050 1 1238 263 263 ARG CB C 30.76 0.050 1 1239 263 263 ARG N N 116.83 0.050 1 1240 264 264 GLY H H 7.64 0.005 1 1241 264 264 GLY C C 174.66 0.050 1 1242 264 264 GLY CA C 46.71 0.050 1 1243 264 264 GLY N N 106.63 0.050 1 1244 265 265 ILE H H 6.18 0.005 1 1245 265 265 ILE C C 174.89 0.050 1 1246 265 265 ILE CA C 60.79 0.050 1 1247 265 265 ILE CB C 36.06 0.050 1 1248 265 265 ILE N N 107.51 0.050 1 1249 266 266 ALA H H 8.26 0.005 1 1250 266 266 ALA C C 179.39 0.050 1 1251 266 266 ALA CA C 54.87 0.050 1 1252 266 266 ALA CB C 17.82 0.050 1 1253 266 266 ALA N N 123.17 0.050 1 1254 267 267 TYR H H 7.01 0.005 1 1255 267 267 TYR C C 171.02 0.050 1 1256 267 267 TYR CA C 56.20 0.050 1 1257 267 267 TYR CB C 39.54 0.050 1 1258 267 267 TYR N N 105.67 0.050 1 1259 268 268 LEU H H 8.96 0.005 1 1260 268 268 LEU C C 173.10 0.050 1 1261 268 268 LEU CA C 52.82 0.050 1 1262 268 268 LEU CB C 44.01 0.050 1 1263 268 268 LEU N N 122.00 0.050 1 1264 269 269 HIS H H 9.37 0.005 1 1265 269 269 HIS C C 173.58 0.050 1 1266 269 269 HIS CA C 51.29 0.050 1 1267 269 269 HIS CB C 30.67 0.050 1 1268 269 269 HIS N N 129.77 0.050 1 1269 270 270 MET H H 9.45 0.005 1 1270 270 270 MET C C 172.99 0.050 1 1271 270 270 MET CA C 54.77 0.050 1 1272 270 270 MET CB C 31.84 0.050 1 1273 270 270 MET N N 125.65 0.050 1 1274 271 271 SER H H 8.41 0.005 1 1275 271 271 SER C C 172.82 0.050 1 1276 271 271 SER CA C 55.61 0.050 1 1277 271 271 SER CB C 60.89 0.050 1 1278 271 271 SER N N 117.69 0.050 1 1279 276 276 ALA C C 177.60 0.050 1 1280 277 277 GLY H H 8.04 0.005 1 1281 277 277 GLY C C 173.96 0.050 1 1282 277 277 GLY CA C 44.55 0.050 1 1283 277 277 GLY N N 108.22 0.050 1 1284 278 278 GLY H H 7.81 0.005 1 1285 278 278 GLY C C 173.24 0.050 1 1286 278 278 GLY CA C 45.13 0.050 1 1287 278 278 GLY N N 108.12 0.050 1 1288 279 279 LYS H H 8.24 0.005 1 1289 279 279 LYS C C 174.11 0.050 1 1290 279 279 LYS CA C 53.69 0.050 1 1291 279 279 LYS CB C 32.19 0.050 1 1292 279 279 LYS N N 122.27 0.050 1 1293 281 281 TYR H H 8.55 0.005 1 1294 281 281 TYR C C 177.16 0.050 1 1295 281 281 TYR CA C 55.36 0.050 1 1296 281 281 TYR CB C 36.59 0.050 1 1297 281 281 TYR N N 123.77 0.050 1 1298 282 282 SER H H 8.90 0.005 1 1299 282 282 SER C C 175.37 0.050 1 1300 282 282 SER CA C 56.45 0.050 1 1301 282 282 SER CB C 64.03 0.050 1 1302 282 282 SER N N 119.81 0.050 1 1303 283 283 GLU H H 9.13 0.005 1 1304 283 283 GLU C C 178.65 0.050 1 1305 283 283 GLU CA C 60.49 0.050 1 1306 283 283 GLU CB C 28.28 0.050 1 1307 283 283 GLU N N 124.68 0.050 1 1308 284 284 ALA H H 8.39 0.005 1 1309 284 284 ALA C C 180.59 0.050 1 1310 284 284 ALA CA C 54.59 0.050 1 1311 284 284 ALA CB C 17.40 0.050 1 1312 284 284 ALA N N 120.44 0.050 1 1313 285 285 PHE H H 8.13 0.005 1 1314 285 285 PHE C C 177.32 0.050 1 1315 285 285 PHE CA C 61.11 0.050 1 1316 285 285 PHE CB C 38.29 0.050 1 1317 285 285 PHE N N 120.69 0.050 1 1318 286 286 ARG H H 8.15 0.005 1 1319 286 286 ARG C C 180.37 0.050 1 1320 286 286 ARG CA C 59.78 0.050 1 1321 286 286 ARG CB C 30.09 0.050 1 1322 286 286 ARG N N 116.46 0.050 1 1323 287 287 GLN H H 8.44 0.005 1 1324 287 287 GLN C C 178.09 0.050 1 1325 287 287 GLN CA C 58.54 0.050 1 1326 287 287 GLN CB C 27.17 0.050 1 1327 287 287 GLN N N 119.45 0.050 1 1328 288 288 LYS H H 7.60 0.005 1 1329 288 288 LYS C C 179.77 0.050 1 1330 288 288 LYS CA C 59.21 0.050 1 1331 288 288 LYS CB C 31.99 0.050 1 1332 288 288 LYS N N 120.61 0.050 1 1333 289 289 VAL H H 7.84 0.005 1 1334 289 289 VAL C C 177.31 0.050 1 1335 289 289 VAL CA C 66.81 0.050 1 1336 289 289 VAL CB C 30.40 0.050 1 1337 289 289 VAL N N 120.39 0.050 1 1338 290 290 ARG H H 7.76 0.005 1 1339 290 290 ARG C C 177.42 0.050 1 1340 290 290 ARG CA C 56.57 0.050 1 1341 290 290 ARG CB C 29.43 0.050 1 1342 290 290 ARG N N 119.23 0.050 1 1343 291 291 GLU H H 7.93 0.005 1 1344 291 291 GLU C C 177.70 0.050 1 1345 291 291 GLU CA C 57.67 0.050 1 1346 291 291 GLU CB C 29.09 0.050 1 1347 291 291 GLU N N 116.43 0.050 1 1348 292 292 ARG H H 7.11 0.005 1 1349 292 292 ARG C C 174.72 0.050 1 1350 292 292 ARG CA C 55.58 0.050 1 1351 292 292 ARG CB C 31.23 0.050 1 1352 292 292 ARG N N 115.52 0.050 1 1353 293 293 PHE H H 8.01 0.005 1 1354 293 293 PHE C C 173.60 0.050 1 1355 293 293 PHE CA C 57.84 0.050 1 1356 293 293 PHE CB C 40.15 0.050 1 1357 293 293 PHE N N 121.36 0.050 1 1358 294 294 HIS H H 7.96 0.005 1 1359 294 294 HIS C C 175.63 0.050 1 1360 294 294 HIS CA C 55.34 0.050 1 1361 294 294 HIS CB C 28.93 0.050 1 1362 294 294 HIS N N 124.35 0.050 1 1363 295 295 GLY H H 6.12 0.005 1 1364 295 295 GLY C C 172.18 0.050 1 1365 295 295 GLY CA C 43.59 0.050 1 1366 295 295 GLY N N 108.02 0.050 1 1367 296 296 VAL H H 7.78 0.005 1 1368 296 296 VAL C C 175.18 0.050 1 1369 296 296 VAL CA C 63.44 0.050 1 1370 296 296 VAL CB C 31.19 0.050 1 1371 296 296 VAL N N 120.89 0.050 1 1372 297 297 ILE H H 9.61 0.005 1 1373 297 297 ILE C C 175.94 0.050 1 1374 297 297 ILE CA C 60.11 0.050 1 1375 297 297 ILE CB C 40.09 0.050 1 1376 297 297 ILE N N 128.23 0.050 1 1377 298 298 ILE H H 8.97 0.005 1 1378 298 298 ILE C C 175.57 0.050 1 1379 298 298 ILE CA C 58.41 0.050 1 1380 298 298 ILE CB C 39.60 0.050 1 1381 298 298 ILE N N 129.18 0.050 1 1382 299 299 GLY H H 8.13 0.005 1 1383 299 299 GLY C C 171.07 0.050 1 1384 299 299 GLY CA C 43.79 0.050 1 1385 299 299 GLY N N 114.12 0.050 1 1386 300 300 ALA H H 7.68 0.005 1 1387 300 300 ALA C C 175.68 0.050 1 1388 300 300 ALA CA C 52.08 0.050 1 1389 300 300 ALA CB C 24.24 0.050 1 1390 300 300 ALA N N 121.81 0.050 1 1391 301 301 GLY H H 9.35 0.005 1 1392 301 301 GLY C C 171.67 0.050 1 1393 301 301 GLY CA C 45.98 0.050 1 1394 301 301 GLY N N 112.29 0.050 1 1395 302 302 ALA H H 9.98 0.005 1 1396 302 302 ALA C C 177.95 0.050 1 1397 302 302 ALA CA C 52.19 0.050 1 1398 302 302 ALA CB C 15.88 0.050 1 1399 302 302 ALA N N 130.03 0.050 1 1400 303 303 TYR H H 7.99 0.005 1 1401 303 303 TYR C C 176.15 0.050 1 1402 303 303 TYR CA C 60.94 0.050 1 1403 303 303 TYR CB C 39.44 0.050 1 1404 303 303 TYR N N 117.15 0.050 1 1405 304 304 THR H H 6.58 0.005 1 1406 304 304 THR C C 175.67 0.050 1 1407 304 304 THR CA C 58.28 0.050 1 1408 304 304 THR CB C 72.12 0.050 1 1409 304 304 THR N N 106.68 0.050 1 1410 305 305 ALA H H 9.56 0.005 1 1411 305 305 ALA C C 178.91 0.050 1 1412 305 305 ALA CA C 55.83 0.050 1 1413 305 305 ALA CB C 17.48 0.050 1 1414 305 305 ALA N N 125.38 0.050 1 1415 306 306 GLU H H 8.67 0.005 1 1416 306 306 GLU C C 179.22 0.050 1 1417 306 306 GLU CA C 59.67 0.050 1 1418 306 306 GLU CB C 28.47 0.050 1 1419 306 306 GLU N N 117.13 0.050 1 1420 307 307 LYS H H 7.86 0.005 1 1421 307 307 LYS C C 178.45 0.050 1 1422 307 307 LYS CA C 58.83 0.050 1 1423 307 307 LYS CB C 33.00 0.050 1 1424 307 307 LYS N N 122.55 0.050 1 1425 308 308 ALA H H 8.30 0.005 1 1426 308 308 ALA C C 178.11 0.050 1 1427 308 308 ALA CA C 54.97 0.050 1 1428 308 308 ALA CB C 18.93 0.050 1 1429 308 308 ALA N N 119.66 0.050 1 1430 309 309 GLU H H 8.56 0.005 1 1431 309 309 GLU C C 179.70 0.050 1 1432 309 309 GLU CA C 58.93 0.050 1 1433 309 309 GLU CB C 28.65 0.050 1 1434 309 309 GLU N N 117.47 0.050 1 1435 310 310 ASP H H 7.82 0.005 1 1436 310 310 ASP C C 178.78 0.050 1 1437 310 310 ASP CA C 57.10 0.050 1 1438 310 310 ASP CB C 41.72 0.050 1 1439 310 310 ASP N N 119.20 0.050 1 1440 311 311 LEU H H 7.94 0.005 1 1441 311 311 LEU C C 180.06 0.050 1 1442 311 311 LEU CA C 57.98 0.050 1 1443 311 311 LEU CB C 41.94 0.050 1 1444 311 311 LEU N N 118.40 0.050 1 1445 312 312 ILE H H 8.83 0.005 1 1446 312 312 ILE C C 182.29 0.050 1 1447 312 312 ILE CA C 63.65 0.050 1 1448 312 312 ILE CB C 37.48 0.050 1 1449 312 312 ILE N N 122.18 0.050 1 1450 313 313 GLY H H 8.67 0.005 1 1451 313 313 GLY C C 176.24 0.050 1 1452 313 313 GLY CA C 46.98 0.050 1 1453 313 313 GLY N N 111.86 0.050 1 1454 314 314 LYS H H 7.53 0.005 1 1455 314 314 LYS C C 176.96 0.050 1 1456 314 314 LYS CA C 57.02 0.050 1 1457 314 314 LYS CB C 33.79 0.050 1 1458 314 314 LYS N N 118.57 0.050 1 1459 315 315 GLY H H 8.00 0.005 1 1460 315 315 GLY C C 175.14 0.050 1 1461 315 315 GLY CA C 45.06 0.050 1 1462 315 315 GLY N N 108.41 0.050 1 1463 316 316 LEU H H 7.63 0.005 1 1464 316 316 LEU C C 175.76 0.050 1 1465 316 316 LEU CA C 56.44 0.050 1 1466 316 316 LEU CB C 42.50 0.050 1 1467 316 316 LEU N N 119.01 0.050 1 1468 317 317 ILE H H 6.93 0.005 1 1469 317 317 ILE C C 173.83 0.050 1 1470 317 317 ILE CA C 58.82 0.050 1 1471 317 317 ILE CB C 40.47 0.050 1 1472 317 317 ILE N N 106.87 0.050 1 1473 318 318 ASP H H 9.35 0.005 1 1474 318 318 ASP C C 173.91 0.050 1 1475 318 318 ASP CA C 55.12 0.050 1 1476 318 318 ASP CB C 45.00 0.050 1 1477 318 318 ASP N N 117.37 0.050 1 1478 319 319 ALA H H 7.65 0.005 1 1479 319 319 ALA C C 172.36 0.050 1 1480 319 319 ALA CA C 50.13 0.050 1 1481 319 319 ALA CB C 20.26 0.050 1 1482 319 319 ALA N N 118.26 0.050 1 1483 320 320 VAL H H 7.63 0.005 1 1484 320 320 VAL C C 170.90 0.050 1 1485 320 320 VAL CA C 57.14 0.050 1 1486 320 320 VAL CB C 34.43 0.050 1 1487 320 320 VAL N N 117.71 0.050 1 1488 321 321 ALA H H 7.85 0.005 1 1489 321 321 ALA C C 175.79 0.050 1 1490 321 321 ALA CA C 48.10 0.050 1 1491 321 321 ALA CB C 19.47 0.050 1 1492 321 321 ALA N N 126.11 0.050 1 1493 322 322 PHE H H 8.81 0.005 1 1494 322 322 PHE C C 175.17 0.050 1 1495 322 322 PHE CA C 57.30 0.050 1 1496 322 322 PHE CB C 40.46 0.050 1 1497 322 322 PHE N N 121.14 0.050 1 1498 323 323 GLY H H 10.75 0.005 1 1499 323 323 GLY C C 173.69 0.050 1 1500 323 323 GLY CA C 45.40 0.050 1 1501 323 323 GLY N N 115.10 0.050 1 1502 324 324 ARG H H 10.95 0.005 1 1503 324 324 ARG C C 178.42 0.050 1 1504 324 324 ARG CA C 61.07 0.050 1 1505 324 324 ARG CB C 28.54 0.050 1 1506 324 324 ARG N N 131.62 0.050 1 1507 325 325 ASP H H 10.12 0.005 1 1508 325 325 ASP C C 179.97 0.050 1 1509 325 325 ASP CA C 56.95 0.050 1 1510 325 325 ASP CB C 40.21 0.050 1 1511 325 325 ASP N N 115.98 0.050 1 1512 326 326 TYR H H 7.59 0.005 1 1513 326 326 TYR C C 180.57 0.050 1 1514 326 326 TYR CA C 61.07 0.050 1 1515 326 326 TYR CB C 38.51 0.050 1 1516 326 326 TYR N N 121.26 0.050 1 1517 327 327 ILE H H 7.53 0.005 1 1518 327 327 ILE C C 178.27 0.050 1 1519 327 327 ILE CA C 66.27 0.050 1 1520 327 327 ILE CB C 36.27 0.050 1 1521 327 327 ILE N N 120.92 0.050 1 1522 328 328 ALA H H 6.20 0.005 1 1523 328 328 ALA C C 175.47 0.050 1 1524 328 328 ALA CA C 50.01 0.050 1 1525 328 328 ALA CB C 21.38 0.050 1 1526 328 328 ALA N N 115.04 0.050 1 1527 329 329 ASN H H 6.93 0.005 1 1528 329 329 ASN C C 170.54 0.050 1 1529 329 329 ASN CA C 49.49 0.050 1 1530 329 329 ASN CB C 40.26 0.050 1 1531 329 329 ASN N N 115.00 0.050 1 1532 330 330 PRO C C 176.26 0.050 1 1533 330 330 PRO CA C 64.03 0.050 1 1534 330 330 PRO CB C 30.63 0.050 1 1535 331 331 ASP H H 9.02 0.005 1 1536 331 331 ASP C C 176.07 0.050 1 1537 331 331 ASP CA C 51.11 0.050 1 1538 331 331 ASP CB C 37.50 0.050 1 1539 331 331 ASP N N 116.23 0.050 1 1540 332 332 LEU H H 6.45 0.005 1 1541 332 332 LEU C C 177.13 0.050 1 1542 332 332 LEU CA C 58.19 0.050 1 1543 332 332 LEU CB C 39.73 0.050 1 1544 332 332 LEU N N 119.48 0.050 1 1545 333 333 VAL H H 7.48 0.005 1 1546 333 333 VAL C C 176.38 0.050 1 1547 333 333 VAL CA C 67.94 0.050 1 1548 333 333 VAL CB C 30.82 0.050 1 1549 333 333 VAL N N 114.44 0.050 1 1550 334 334 ALA H H 7.29 0.005 1 1551 334 334 ALA C C 180.81 0.050 1 1552 334 334 ALA CA C 54.29 0.050 1 1553 334 334 ALA CB C 17.73 0.050 1 1554 334 334 ALA N N 121.14 0.050 1 1555 335 335 ARG H H 8.09 0.005 1 1556 335 335 ARG C C 179.43 0.050 1 1557 335 335 ARG CA C 59.55 0.050 1 1558 335 335 ARG CB C 28.71 0.050 1 1559 335 335 ARG N N 115.61 0.050 1 1560 336 336 LEU H H 8.67 0.005 1 1561 336 336 LEU C C 180.82 0.050 1 1562 336 336 LEU CA C 57.02 0.050 1 1563 336 336 LEU CB C 40.49 0.050 1 1564 336 336 LEU N N 118.51 0.050 1 1565 337 337 GLN H H 8.29 0.005 1 1566 337 337 GLN C C 178.10 0.050 1 1567 337 337 GLN CA C 59.09 0.050 1 1568 337 337 GLN CB C 27.59 0.050 1 1569 337 337 GLN N N 121.45 0.050 1 1570 338 338 LYS H H 7.78 0.005 1 1571 338 338 LYS C C 175.74 0.050 1 1572 338 338 LYS CA C 55.80 0.050 1 1573 338 338 LYS CB C 31.96 0.050 1 1574 338 338 LYS N N 115.61 0.050 1 1575 339 339 LYS H H 7.63 0.005 1 1576 339 339 LYS C C 175.95 0.050 1 1577 339 339 LYS CA C 56.76 0.050 1 1578 339 339 LYS CB C 27.67 0.050 1 1579 339 339 LYS N N 118.95 0.050 1 1580 340 340 ALA H H 8.34 0.005 1 1581 340 340 ALA C C 176.90 0.050 1 1582 340 340 ALA CA C 50.36 0.050 1 1583 340 340 ALA CB C 20.67 0.050 1 1584 340 340 ALA N N 121.38 0.050 1 1585 341 341 GLU H H 8.14 0.005 1 1586 341 341 GLU C C 175.46 0.050 1 1587 341 341 GLU CA C 56.09 0.050 1 1588 341 341 GLU CB C 29.52 0.050 1 1589 341 341 GLU N N 118.37 0.050 1 1590 342 342 LEU H H 8.29 0.005 1 1591 342 342 LEU C C 178.43 0.050 1 1592 342 342 LEU CA C 53.20 0.050 1 1593 342 342 LEU CB C 41.11 0.050 1 1594 342 342 LEU N N 120.30 0.050 1 1595 343 343 ASN H H 10.05 0.005 1 1596 343 343 ASN C C 173.86 0.050 1 1597 343 343 ASN CA C 51.41 0.050 1 1598 343 343 ASN CB C 36.88 0.050 1 1599 343 343 ASN N N 123.65 0.050 1 1600 344 344 PRO C C 177.46 0.050 1 1601 344 344 PRO CA C 61.63 0.050 1 1602 344 344 PRO CB C 31.19 0.050 1 1603 345 345 GLN H H 8.75 0.005 1 1604 345 345 GLN C C 176.95 0.050 1 1605 345 345 GLN CA C 56.06 0.050 1 1606 345 345 GLN CB C 29.39 0.050 1 1607 345 345 GLN N N 120.69 0.050 1 1608 346 346 ARG H H 8.00 0.005 1 1609 346 346 ARG C C 173.57 0.050 1 1610 346 346 ARG CA C 53.32 0.050 1 1611 346 346 ARG CB C 28.87 0.050 1 1612 346 346 ARG N N 121.01 0.050 1 1613 347 347 PRO C C 178.75 0.050 1 1614 347 347 PRO CA C 62.77 0.050 1 1615 347 347 PRO CB C 30.77 0.050 1 1616 348 348 GLU H H 9.59 0.005 1 1617 348 348 GLU C C 177.39 0.050 1 1618 348 348 GLU CA C 58.41 0.050 1 1619 348 348 GLU CB C 26.82 0.050 1 1620 348 348 GLU N N 120.24 0.050 1 1621 349 349 SER H H 7.84 0.005 1 1622 349 349 SER C C 177.79 0.050 1 1623 349 349 SER CA C 55.67 0.050 1 1624 349 349 SER CB C 61.49 0.050 1 1625 349 349 SER N N 112.04 0.050 1 1626 350 350 PHE H H 7.98 0.005 1 1627 350 350 PHE C C 177.74 0.050 1 1628 350 350 PHE CA C 58.33 0.050 1 1629 350 350 PHE CB C 35.81 0.050 1 1630 350 350 PHE N N 123.90 0.050 1 1631 351 351 TYR H H 9.11 0.005 1 1632 351 351 TYR C C 176.04 0.050 1 1633 351 351 TYR CA C 56.36 0.050 1 1634 351 351 TYR CB C 39.17 0.050 1 1635 351 351 TYR N N 118.67 0.050 1 1636 352 352 GLY H H 8.19 0.005 1 1637 352 352 GLY C C 171.65 0.050 1 1638 352 352 GLY CA C 44.48 0.050 1 1639 352 352 GLY N N 110.12 0.050 1 1640 353 353 GLY H H 8.15 0.005 1 1641 353 353 GLY C C 175.04 0.050 1 1642 353 353 GLY CA C 44.30 0.050 1 1643 353 353 GLY N N 103.27 0.050 1 1644 354 354 GLY H H 8.69 0.005 1 1645 354 354 GLY C C 174.68 0.050 1 1646 354 354 GLY CA C 43.94 0.050 1 1647 354 354 GLY N N 111.78 0.050 1 1648 355 355 ALA H H 8.91 0.005 1 1649 355 355 ALA C C 178.60 0.050 1 1650 355 355 ALA CA C 55.35 0.050 1 1651 355 355 ALA CB C 18.33 0.050 1 1652 355 355 ALA N N 129.46 0.050 1 1653 356 356 GLU H H 8.42 0.005 1 1654 356 356 GLU C C 178.04 0.050 1 1655 356 356 GLU CA C 57.31 0.050 1 1656 356 356 GLU CB C 27.57 0.050 1 1657 356 356 GLU N N 119.15 0.050 1 1658 357 357 GLY H H 9.64 0.005 1 1659 357 357 GLY C C 174.42 0.050 1 1660 357 357 GLY CA C 44.67 0.050 1 1661 357 357 GLY N N 116.89 0.050 1 1662 358 358 TYR H H 8.46 0.005 1 1663 358 358 TYR C C 176.39 0.050 1 1664 358 358 TYR CA C 57.97 0.050 1 1665 358 358 TYR CB C 41.43 0.050 1 1666 358 358 TYR N N 121.82 0.050 1 1667 359 359 THR H H 8.74 0.005 1 1668 359 359 THR C C 175.72 0.050 1 1669 359 359 THR CA C 60.53 0.050 1 1670 359 359 THR CB C 68.15 0.050 1 1671 359 359 THR N N 106.30 0.050 1 1672 360 360 ASP H H 8.12 0.005 1 1673 360 360 ASP C C 177.36 0.050 1 1674 360 360 ASP CA C 53.10 0.050 1 1675 360 360 ASP CB C 39.82 0.050 1 1676 360 360 ASP N N 120.67 0.050 1 1677 361 361 TYR H H 7.48 0.005 1 1678 361 361 TYR C C 175.39 0.050 1 1679 361 361 TYR CA C 56.07 0.050 1 1680 361 361 TYR CB C 37.19 0.050 1 1681 361 361 TYR N N 121.15 0.050 1 1682 362 362 PRO C C 177.55 0.050 1 1683 362 362 PRO CA C 62.49 0.050 1 1684 362 362 PRO CB C 32.10 0.050 1 1685 363 363 SER H H 8.09 0.005 1 1686 363 363 SER C C 174.65 0.050 1 1687 363 363 SER CA C 57.46 0.050 1 1688 363 363 SER CB C 64.76 0.050 1 1689 363 363 SER N N 115.28 0.050 1 1690 364 364 LEU H H 9.91 0.005 1 1691 364 364 LEU C C 167.54 0.050 1 1692 364 364 LEU CA C 57.60 0.050 1 1693 364 364 LEU CB C 41.61 0.050 1 1694 364 364 LEU N N 130.43 0.050 1 stop_ save_