data_19087 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The NMR chemical shift assignments for backbone 1H, 13C, and 15N of VirR (Rv0431) ; _BMRB_accession_number 19087 _BMRB_flat_file_name bmr19087.str _Entry_type original _Submission_date 2013-03-13 _Accession_date 2013-03-13 _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 Huang Chengdong . . 2 Wang Tao . . 3 Li Huilin . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 356 "13C chemical shifts" 351 "15N chemical shifts" 88 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-24 original author . stop_ _Original_release_date 2014-02-24 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Genetic regulation of vesiculogenesis and immunomodulation in Mycobacterium tuberculosis' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24248369 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Rath Poonam . . 2 Huang Chengdong . . 3 Wang Tao . . 4 Wang Tianzhi . . 5 Li Huilin . . 6 Prados-Rosales Rafael . . 7 Elemento Olivier . . 8 Casadevall Arturo . . 9 Nathan Carl F. . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U. S. A.' _Journal_volume 110 _Journal_issue 49 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first E4790 _Page_last E4797 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'C-terminal RV0431' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'C-terminal RV0431' $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 37006.906 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 366 _Mol_residue_sequence ; GSSPNSEDDSSAISTMTTTT AAPTSTSVKPAAPRAEVRVY NISGTEGAAARTADRLKAAG FTVTDVGNLSLPDVAATTVY YTEVEGERATADAVGRTLGA AVELRLPELSDQPPGVIVVV TGGSSPNSEDDSSAISTMTT TTAAPTSTSVKPAAPRAEVR VYNISGTEGAAARTADRLKA AGFTVTDVGNLSLPDVAATT VYYTEVEGERATADAVGRTL GAAVELRLPELSDQPPGVIV VVTGGSSPNSEDDSSAISTM TTTTAAPTSTSVKPAAPRAE VRVYNISGTEGAAARTADRL KAAGFTVTDVGNLSLPDVAA TTVYYTEVEGERATADAVGR TLGAAVELRLPELSDQPPGV IVVVTG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 PRO 5 ASN 6 SER 7 GLU 8 ASP 9 ASP 10 SER 11 SER 12 ALA 13 ILE 14 SER 15 THR 16 MET 17 THR 18 THR 19 THR 20 THR 21 ALA 22 ALA 23 PRO 24 THR 25 SER 26 THR 27 SER 28 VAL 29 LYS 30 PRO 31 ALA 32 ALA 33 PRO 34 ARG 35 ALA 36 GLU 37 VAL 38 ARG 39 VAL 40 TYR 41 ASN 42 ILE 43 SER 44 GLY 45 THR 46 GLU 47 GLY 48 ALA 49 ALA 50 ALA 51 ARG 52 THR 53 ALA 54 ASP 55 ARG 56 LEU 57 LYS 58 ALA 59 ALA 60 GLY 61 PHE 62 THR 63 VAL 64 THR 65 ASP 66 VAL 67 GLY 68 ASN 69 LEU 70 SER 71 LEU 72 PRO 73 ASP 74 VAL 75 ALA 76 ALA 77 THR 78 THR 79 VAL 80 TYR 81 TYR 82 THR 83 GLU 84 VAL 85 GLU 86 GLY 87 GLU 88 ARG 89 ALA 90 THR 91 ALA 92 ASP 93 ALA 94 VAL 95 GLY 96 ARG 97 THR 98 LEU 99 GLY 100 ALA 101 ALA 102 VAL 103 GLU 104 LEU 105 ARG 106 LEU 107 PRO 108 GLU 109 LEU 110 SER 111 ASP 112 GLN 113 PRO 114 PRO 115 GLY 116 VAL 117 ILE 118 VAL 119 VAL 120 VAL 121 THR 122 GLY 123 GLY 124 SER 125 SER 126 PRO 127 ASN 128 SER 129 GLU 130 ASP 131 ASP 132 SER 133 SER 134 ALA 135 ILE 136 SER 137 THR 138 MET 139 THR 140 THR 141 THR 142 THR 143 ALA 144 ALA 145 PRO 146 THR 147 SER 148 THR 149 SER 150 VAL 151 LYS 152 PRO 153 ALA 154 ALA 155 PRO 156 ARG 157 ALA 158 GLU 159 VAL 160 ARG 161 VAL 162 TYR 163 ASN 164 ILE 165 SER 166 GLY 167 THR 168 GLU 169 GLY 170 ALA 171 ALA 172 ALA 173 ARG 174 THR 175 ALA 176 ASP 177 ARG 178 LEU 179 LYS 180 ALA 181 ALA 182 GLY 183 PHE 184 THR 185 VAL 186 THR 187 ASP 188 VAL 189 GLY 190 ASN 191 LEU 192 SER 193 LEU 194 PRO 195 ASP 196 VAL 197 ALA 198 ALA 199 THR 200 THR 201 VAL 202 TYR 203 TYR 204 THR 205 GLU 206 VAL 207 GLU 208 GLY 209 GLU 210 ARG 211 ALA 212 THR 213 ALA 214 ASP 215 ALA 216 VAL 217 GLY 218 ARG 219 THR 220 LEU 221 GLY 222 ALA 223 ALA 224 VAL 225 GLU 226 LEU 227 ARG 228 LEU 229 PRO 230 GLU 231 LEU 232 SER 233 ASP 234 GLN 235 PRO 236 PRO 237 GLY 238 VAL 239 ILE 240 VAL 241 VAL 242 VAL 243 THR 244 GLY 245 GLY 246 SER 247 SER 248 PRO 249 ASN 250 SER 251 GLU 252 ASP 253 ASP 254 SER 255 SER 256 ALA 257 ILE 258 SER 259 THR 260 MET 261 THR 262 THR 263 THR 264 THR 265 ALA 266 ALA 267 PRO 268 THR 269 SER 270 THR 271 SER 272 VAL 273 LYS 274 PRO 275 ALA 276 ALA 277 PRO 278 ARG 279 ALA 280 GLU 281 VAL 282 ARG 283 VAL 284 TYR 285 ASN 286 ILE 287 SER 288 GLY 289 THR 290 GLU 291 GLY 292 ALA 293 ALA 294 ALA 295 ARG 296 THR 297 ALA 298 ASP 299 ARG 300 LEU 301 LYS 302 ALA 303 ALA 304 GLY 305 PHE 306 THR 307 VAL 308 THR 309 ASP 310 VAL 311 GLY 312 ASN 313 LEU 314 SER 315 LEU 316 PRO 317 ASP 318 VAL 319 ALA 320 ALA 321 THR 322 THR 323 VAL 324 TYR 325 TYR 326 THR 327 GLU 328 VAL 329 GLU 330 GLY 331 GLU 332 ARG 333 ALA 334 THR 335 ALA 336 ASP 337 ALA 338 VAL 339 GLY 340 ARG 341 THR 342 LEU 343 GLY 344 ALA 345 ALA 346 VAL 347 GLU 348 LEU 349 ARG 350 LEU 351 PRO 352 GLU 353 LEU 354 SER 355 ASP 356 GLN 357 PRO 358 PRO 359 GLY 360 VAL 361 ILE 362 VAL 363 VAL 364 VAL 365 THR 366 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 'Bacillus tuberculosis' 1773 Bacteria . Mycobacterium tuberculosis 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 $entity 'recombinant technology' . Escherichia coli . unknown 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 $entity . mM '[U-100% 13C; U-100% 15N]' 'potassium phosphate' 0.5 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.5 . mM pH 7.0 . pH pressure 1 . atm temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 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_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCACB' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'C-terminal RV0431' _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 6 6 SER HB2 H 3.8984 . 2 2 6 6 SER C C 174.6646 . 1 3 6 6 SER CA C 58.7445 . 1 4 6 6 SER CB C 63.8704 . 1 5 7 7 GLU H H 8.4746 . 1 6 7 7 GLU HA H 4.7279 . 1 7 7 7 GLU HB3 H 1.9946 . 2 8 7 7 GLU HG2 H 2.2574 . 2 9 7 7 GLU C C 176.2791 . 1 10 7 7 GLU CA C 56.8940 . 1 11 7 7 GLU CB C 30.2093 . 1 12 7 7 GLU CG C 36.5236 . 1 13 7 7 GLU N N 122.2781 . 1 14 8 8 ASP H H 8.2063 . 1 15 8 8 ASP HA H 4.7092 . 1 16 8 8 ASP HB2 H 2.6827 . 2 17 8 8 ASP C C 176.0700 . 1 18 8 8 ASP CA C 54.3663 . 1 19 8 8 ASP CB C 41.4587 . 1 20 8 8 ASP N N 120.7527 . 1 21 9 9 ASP H H 8.2564 . 1 22 9 9 ASP HA H 4.7029 . 1 23 9 9 ASP HB2 H 2.7284 . 2 24 9 9 ASP CA C 54.4438 . 1 25 9 9 ASP CB C 41.2197 . 1 26 9 9 ASP N N 121.4298 . 1 27 11 11 SER HB2 H 3.9192 . 2 28 11 11 SER C C 174.5167 . 1 29 11 11 SER CA C 59.3636 . 1 30 11 11 SER CB C 63.9895 . 1 31 12 12 ALA H H 8.0870 . 1 32 12 12 ALA HA H 4.3564 . 1 33 12 12 ALA HB H 1.4069 . 1 34 12 12 ALA C C 177.8112 . 1 35 12 12 ALA CA C 52.8152 . 1 36 12 12 ALA CB C 19.2043 . 1 37 12 12 ALA N N 125.4998 . 1 38 13 13 ILE H H 7.9378 . 1 39 13 13 ILE HA H 4.1929 . 1 40 13 13 ILE HB H 0.9295 . 1 41 13 13 ILE CA C 61.1629 . 1 42 13 13 ILE CB C 38.7214 . 1 43 13 13 ILE N N 119.0453 . 1 44 14 14 SER H H 8.3386 . 1 45 14 14 SER N N 119.6615 . 1 46 21 21 ALA HA H 4.2862 . 1 47 21 21 ALA HB H 1.3645 . 1 48 21 21 ALA C C 177.0127 . 1 49 21 21 ALA CA C 51.5849 . 1 50 21 21 ALA CB C 19.3386 . 1 51 22 22 ALA H H 8.1820 . 1 52 22 22 ALA HA H 4.7254 . 1 53 22 22 ALA HB H 1.3236 . 1 54 22 22 ALA CA C 50.3102 . 1 55 22 22 ALA CB C 18.2319 . 1 56 22 22 ALA N N 124.5793 . 1 57 28 28 VAL HA H 4.1353 . 1 58 28 28 VAL HB H 2.0616 . 1 59 28 28 VAL HG1 H 0.9199 . 2 60 28 28 VAL C C 175.7789 . 1 61 28 28 VAL CA C 62.1669 . 1 62 28 28 VAL CB C 32.6810 . 1 63 28 28 VAL CG1 C 20.8144 . 2 64 29 29 LYS H H 8.3462 . 1 65 29 29 LYS HA H 4.7123 . 1 66 29 29 LYS HB2 H 1.7557 . 2 67 29 29 LYS CA C 54.1350 . 1 68 29 29 LYS CB C 32.6462 . 1 69 29 29 LYS N N 126.8584 . 1 70 30 30 PRO HA H 4.4019 . 1 71 30 30 PRO HB3 H 2.2910 . 2 72 30 30 PRO HG2 H 1.9560 . 2 73 30 30 PRO C C 176.4349 . 1 74 30 30 PRO CA C 62.7758 . 1 75 30 30 PRO CB C 32.1535 . 1 76 30 30 PRO CG C 27.0691 . 1 77 31 31 ALA H H 8.3236 . 1 78 31 31 ALA HA H 4.3466 . 1 79 31 31 ALA HB H 1.3761 . 1 80 31 31 ALA C C 176.8599 . 1 81 31 31 ALA CA C 52.3156 . 1 82 31 31 ALA CB C 19.3982 . 1 83 31 31 ALA N N 124.6797 . 1 84 32 32 ALA H H 8.2457 . 1 85 32 32 ALA HA H 4.7363 . 1 86 32 32 ALA CA C 50.4868 . 1 87 32 32 ALA CB C 18.2030 . 1 88 32 32 ALA N N 125.0106 . 1 89 33 33 PRO HA H 4.4663 . 1 90 33 33 PRO HB3 H 2.2919 . 2 91 33 33 PRO HD3 H 2.9359 . 2 92 33 33 PRO C C 176.8339 . 1 93 33 33 PRO CA C 62.8251 . 1 94 33 33 PRO CB C 31.9951 . 1 95 33 33 PRO CG C 27.2422 . 1 96 34 34 ARG H H 8.3489 . 1 97 34 34 ARG HA H 4.3855 . 1 98 34 34 ARG HB2 H 1.9371 . 2 99 34 34 ARG HG3 H 1.7552 . 2 100 34 34 ARG HD3 H 3.1924 . 2 101 34 34 ARG C C 175.8528 . 1 102 34 34 ARG CA C 55.9121 . 1 103 34 34 ARG CB C 31.6715 . 1 104 34 34 ARG CG C 27.1295 . 1 105 34 34 ARG CD C 43.4872 . 1 106 34 34 ARG N N 121.1700 . 1 107 35 35 ALA H H 8.0085 . 1 108 35 35 ALA HA H 4.6117 . 1 109 35 35 ALA HB H 1.4879 . 1 110 35 35 ALA C C 176.1700 . 1 111 35 35 ALA CA C 51.5665 . 1 112 35 35 ALA CB C 20.7224 . 1 113 35 35 ALA N N 124.8778 . 1 114 36 36 GLU H H 8.4946 . 1 115 36 36 GLU HA H 4.4307 . 1 116 36 36 GLU HB2 H 2.0651 . 2 117 36 36 GLU HG2 H 2.3601 . 2 118 36 36 GLU C C 174.6178 . 1 119 36 36 GLU CA C 56.4725 . 1 120 36 36 GLU CB C 31.1240 . 1 121 36 36 GLU CG C 37.0945 . 1 122 36 36 GLU N N 119.7760 . 1 123 37 37 VAL H H 8.4944 . 1 124 37 37 VAL HA H 4.9016 . 1 125 37 37 VAL HB H 1.8225 . 1 126 37 37 VAL HG1 H 0.6989 . 2 127 37 37 VAL C C 174.2846 . 1 128 37 37 VAL CA C 60.6390 . 1 129 37 37 VAL CB C 34.6124 . 1 130 37 37 VAL CG1 C 22.5964 . 2 131 37 37 VAL N N 119.8077 . 1 132 38 38 ARG H H 8.6524 . 1 133 38 38 ARG HA H 4.9258 . 1 134 38 38 ARG HB2 H 1.4277 . 2 135 38 38 ARG C C 174.2394 . 1 136 38 38 ARG CA C 55.0921 . 1 137 38 38 ARG CB C 34.1901 . 1 138 38 38 ARG CG C 27.8763 . 1 139 38 38 ARG CD C 45.3136 . 1 140 38 38 ARG N N 124.5341 . 1 141 39 39 VAL H H 7.9340 . 1 142 39 39 VAL HA H 4.7984 . 1 143 39 39 VAL HB H 1.8069 . 1 144 39 39 VAL HG1 H 0.8702 . 2 145 39 39 VAL HG2 H 0.6498 . 2 146 39 39 VAL C C 173.3569 . 1 147 39 39 VAL CA C 60.6382 . 1 148 39 39 VAL CB C 34.2940 . 1 149 39 39 VAL CG1 C 22.1293 . 2 150 39 39 VAL N N 121.2310 . 1 151 40 40 TYR H H 9.3434 . 1 152 40 40 TYR HA H 5.1536 . 1 153 40 40 TYR HB2 H 2.5983 . 2 154 40 40 TYR C C 175.1237 . 1 155 40 40 TYR CA C 55.5400 . 1 156 40 40 TYR CB C 42.2231 . 1 157 40 40 TYR N N 122.2622 . 1 158 41 41 ASN H H 9.2865 . 1 159 41 41 ASN HA H 5.0316 . 1 160 41 41 ASN HB2 H 3.4985 . 2 161 41 41 ASN HB3 H 2.7933 . 2 162 41 41 ASN C C 176.3009 . 1 163 41 41 ASN CA C 52.6349 . 1 164 41 41 ASN CB C 39.8356 . 1 165 41 41 ASN N N 121.6843 . 1 166 42 42 ILE H H 8.5409 . 1 167 42 42 ILE HA H 5.4502 . 1 168 42 42 ILE HB H 2.2429 . 1 169 42 42 ILE HG2 H 1.2629 . 1 170 42 42 ILE HD1 H 0.9108 . 1 171 42 42 ILE C C 176.4504 . 1 172 42 42 ILE CA C 60.5126 . 1 173 42 42 ILE CB C 38.5973 . 1 174 42 42 ILE CG1 C 26.2074 . 1 175 42 42 ILE CG2 C 18.4972 . 1 176 42 42 ILE CD1 C 14.9070 . 1 177 42 42 ILE N N 119.4615 . 1 178 43 43 SER H H 8.1421 . 1 179 43 43 SER HA H 4.7285 . 1 180 43 43 SER CA C 58.5979 . 1 181 43 43 SER CB C 66.2618 . 1 182 43 43 SER N N 118.2117 . 1 183 44 44 GLY HA2 H 4.0057 . 2 184 44 44 GLY C C 174.4138 . 1 185 44 44 GLY CA C 45.3788 . 1 186 45 45 THR H H 8.2981 . 1 187 45 45 THR HA H 4.3843 . 1 188 45 45 THR HB H 4.1674 . 1 189 45 45 THR HG2 H 1.2276 . 1 190 45 45 THR CA C 61.8140 . 1 191 45 45 THR CB C 69.7868 . 1 192 45 45 THR N N 116.3708 . 1 193 47 47 GLY HA2 H 4.1719 . 2 194 47 47 GLY HA3 H 3.9370 . 2 195 47 47 GLY C C 175.6906 . 1 196 47 47 GLY CA C 46.1906 . 1 197 48 48 ALA H H 7.5112 . 1 198 48 48 ALA HA H 4.0295 . 1 199 48 48 ALA HB H 1.3384 . 1 200 48 48 ALA CA C 55.4020 . 1 201 48 48 ALA CB C 18.4918 . 1 202 48 48 ALA N N 121.9574 . 1 203 49 49 ALA HA H 3.9840 . 1 204 49 49 ALA HB H 1.3849 . 1 205 49 49 ALA C C 178.0733 . 1 206 49 49 ALA CA C 54.8610 . 1 207 49 49 ALA CB C 18.6885 . 1 208 50 50 ALA H H 7.9654 . 1 209 50 50 ALA HA H 3.9886 . 1 210 50 50 ALA HB H 1.4806 . 1 211 50 50 ALA C C 179.6418 . 1 212 50 50 ALA CA C 55.8512 . 1 213 50 50 ALA CB C 17.7880 . 1 214 50 50 ALA N N 122.6536 . 1 215 51 51 ARG H H 7.9818 . 1 216 51 51 ARG HA H 4.1909 . 1 217 51 51 ARG HB2 H 1.8965 . 2 218 51 51 ARG HG2 H 1.6694 . 2 219 51 51 ARG HD3 H 3.2610 . 2 220 51 51 ARG C C 179.9308 . 1 221 51 51 ARG CA C 59.5118 . 1 222 51 51 ARG CB C 30.4632 . 1 223 51 51 ARG CG C 27.5974 . 1 224 51 51 ARG CD C 43.1094 . 1 225 51 51 ARG N N 116.6587 . 1 226 52 52 THR H H 7.6612 . 1 227 52 52 THR HA H 4.1622 . 1 228 52 52 THR HB H 3.8591 . 1 229 52 52 THR HG2 H 1.0933 . 1 230 52 52 THR C C 175.6261 . 1 231 52 52 THR CA C 68.5651 . 1 232 52 52 THR CB C 70.7873 . 1 233 52 52 THR CG2 C 21.9823 . 1 234 52 52 THR N N 117.7449 . 1 235 53 53 ALA H H 8.8054 . 1 236 53 53 ALA HA H 3.8862 . 1 237 53 53 ALA HB H 1.4684 . 1 238 53 53 ALA C C 179.0134 . 1 239 53 53 ALA CA C 56.1974 . 1 240 53 53 ALA CB C 18.7171 . 1 241 53 53 ALA N N 123.9388 . 1 242 54 54 ASP H H 8.3267 . 1 243 54 54 ASP HA H 4.4320 . 1 244 54 54 ASP HB2 H 2.8095 . 2 245 54 54 ASP C C 179.3765 . 1 246 54 54 ASP CA C 58.0071 . 1 247 54 54 ASP CB C 40.2418 . 1 248 54 54 ASP N N 118.3507 . 1 249 55 55 ARG H H 7.7229 . 1 250 55 55 ARG HA H 4.1748 . 1 251 55 55 ARG HB2 H 1.9933 . 2 252 55 55 ARG HG2 H 1.6960 . 2 253 55 55 ARG HD3 H 3.2064 . 2 254 55 55 ARG C C 179.5497 . 1 255 55 55 ARG CA C 59.2855 . 1 256 55 55 ARG CB C 30.3202 . 1 257 55 55 ARG CG C 27.0430 . 1 258 55 55 ARG CD C 42.6666 . 1 259 55 55 ARG N N 121.1200 . 1 260 56 56 LEU H H 8.2151 . 1 261 56 56 LEU HA H 4.3318 . 1 262 56 56 LEU HB2 H 2.0630 . 2 263 56 56 LEU HG H 1.2041 . 1 264 56 56 LEU HD1 H 0.6268 . 2 265 56 56 LEU C C 179.3054 . 1 266 56 56 LEU CA C 57.4367 . 1 267 56 56 LEU CB C 41.2870 . 1 268 56 56 LEU CG C 26.7176 . 1 269 56 56 LEU CD1 C 22.8599 . 2 270 56 56 LEU N N 118.6590 . 1 271 57 57 LYS H H 8.9142 . 1 272 57 57 LYS HA H 4.5127 . 1 273 57 57 LYS HB2 H 1.9852 . 2 274 57 57 LYS HD3 H 1.5789 . 2 275 57 57 LYS C C 181.4363 . 1 276 57 57 LYS CA C 60.0043 . 1 277 57 57 LYS CB C 32.4366 . 1 278 57 57 LYS CE C 37.5960 . 1 279 57 57 LYS N N 122.7131 . 1 280 58 58 ALA H H 8.0257 . 1 281 58 58 ALA HA H 4.2099 . 1 282 58 58 ALA HB H 1.5695 . 1 283 58 58 ALA C C 178.5164 . 1 284 58 58 ALA CA C 55.0693 . 1 285 58 58 ALA CB C 17.9088 . 1 286 58 58 ALA N N 122.4232 . 1 287 59 59 ALA H H 7.4135 . 1 288 59 59 ALA HA H 4.4856 . 1 289 59 59 ALA HB H 1.7434 . 1 290 59 59 ALA C C 176.7968 . 1 291 59 59 ALA CA C 51.7584 . 1 292 59 59 ALA CB C 19.3691 . 1 293 59 59 ALA N N 118.3475 . 1 294 60 60 GLY H H 7.6940 . 1 295 60 60 GLY HA2 H 4.0740 . 2 296 60 60 GLY HA3 H 3.6586 . 2 297 60 60 GLY C C 174.7413 . 1 298 60 60 GLY CA C 45.2355 . 1 299 60 60 GLY N N 104.9185 . 1 300 61 61 PHE H H 7.8788 . 1 301 61 61 PHE HA H 4.4946 . 1 302 61 61 PHE HB2 H 2.9162 . 2 303 61 61 PHE HB3 H 2.4456 . 2 304 61 61 PHE C C 175.2042 . 1 305 61 61 PHE CA C 58.4827 . 1 306 61 61 PHE CB C 39.1633 . 1 307 61 61 PHE N N 118.8621 . 1 308 62 62 THR H H 9.4931 . 1 309 62 62 THR HA H 4.3033 . 1 310 62 62 THR HB H 4.1837 . 1 311 62 62 THR HG2 H 1.2088 . 1 312 62 62 THR C C 173.0734 . 1 313 62 62 THR CA C 69.3886 . 1 314 62 62 THR CB C 62.4782 . 1 315 62 62 THR CG2 C 21.5404 . 1 316 62 62 THR N N 121.3190 . 1 317 63 63 VAL H H 8.2931 . 1 318 63 63 VAL HA H 4.6599 . 1 319 63 63 VAL HB H 1.8980 . 1 320 63 63 VAL HG1 H 0.8110 . 2 321 63 63 VAL C C 177.2667 . 1 322 63 63 VAL CA C 60.0994 . 1 323 63 63 VAL CB C 32.5722 . 1 324 63 63 VAL CG1 C 21.6235 . 2 325 63 63 VAL N N 128.4065 . 1 326 64 64 THR H H 8.7704 . 1 327 64 64 THR HA H 4.3503 . 1 328 64 64 THR CA C 62.1824 . 1 329 64 64 THR CB C 69.1430 . 1 330 64 64 THR N N 118.4949 . 1 331 65 65 ASP HA H 4.3015 . 1 332 65 65 ASP HB2 H 1.2214 . 2 333 65 65 ASP C C 173.7782 . 1 334 65 65 ASP CA C 54.2873 . 1 335 65 65 ASP CB C 44.0177 . 1 336 66 66 VAL H H 7.8495 . 1 337 66 66 VAL HA H 4.8626 . 1 338 66 66 VAL HB H 1.7851 . 1 339 66 66 VAL HG1 H 0.6837 . 2 340 66 66 VAL C C 176.2344 . 1 341 66 66 VAL CA C 60.5971 . 1 342 66 66 VAL CB C 34.1199 . 1 343 66 66 VAL CG1 C 21.5134 . 2 344 66 66 VAL N N 121.7052 . 1 345 67 67 GLY H H 8.1514 . 1 346 67 67 GLY CA C 45.6184 . 1 347 67 67 GLY N N 112.0501 . 1 348 68 68 ASN HB2 H 2.7646 . 2 349 68 68 ASN C C 173.7706 . 1 350 68 68 ASN CA C 53.0619 . 1 351 68 68 ASN CB C 39.8318 . 1 352 69 69 LEU H H 8.2763 . 1 353 69 69 LEU HA H 4.5365 . 1 354 69 69 LEU HB2 H 1.2458 . 2 355 69 69 LEU HD1 H 0.4585 . 2 356 69 69 LEU HD2 H 0.2642 . 2 357 69 69 LEU C C 174.7512 . 1 358 69 69 LEU CA C 53.9250 . 1 359 69 69 LEU CB C 47.3134 . 1 360 69 69 LEU CD1 C 23.5502 . 2 361 69 69 LEU CD2 C 24.2952 . 2 362 69 69 LEU N N 121.0028 . 1 363 70 70 SER H H 8.1221 . 1 364 70 70 SER HB2 H 3.7291 . 2 365 70 70 SER C C 173.7767 . 1 366 70 70 SER CA C 56.9232 . 1 367 70 70 SER CB C 63.2193 . 1 368 70 70 SER N N 116.2687 . 1 369 71 71 LEU H H 8.2932 . 1 370 71 71 LEU HA H 4.7564 . 1 371 71 71 LEU HB2 H 1.6473 . 2 372 71 71 LEU HG H 1.3906 . 1 373 71 71 LEU CA C 52.1646 . 1 374 71 71 LEU CB C 44.1789 . 1 375 71 71 LEU N N 127.9994 . 1 376 72 72 PRO HA H 4.3596 . 1 377 72 72 PRO HB3 H 2.2821 . 2 378 72 72 PRO HG2 H 1.9169 . 2 379 72 72 PRO HD3 H 3.5479 . 2 380 72 72 PRO C C 176.9223 . 1 381 72 72 PRO CA C 64.2439 . 1 382 72 72 PRO CB C 32.4658 . 1 383 72 72 PRO CG C 26.9671 . 1 384 72 72 PRO CD C 50.3490 . 1 385 73 73 ASP H H 8.4309 . 1 386 73 73 ASP HA H 4.5575 . 1 387 73 73 ASP HB2 H 2.8126 . 2 388 73 73 ASP HB3 H 2.5740 . 2 389 73 73 ASP C C 175.8086 . 1 390 73 73 ASP CA C 55.1450 . 1 391 73 73 ASP CB C 40.7784 . 1 392 73 73 ASP N N 115.1063 . 1 393 74 74 VAL H H 7.4678 . 1 394 74 74 VAL HA H 3.9663 . 1 395 74 74 VAL HB H 1.9122 . 1 396 74 74 VAL HG1 H 0.9861 . 2 397 74 74 VAL C C 175.3386 . 1 398 74 74 VAL CA C 63.8707 . 1 399 74 74 VAL CB C 32.0754 . 1 400 74 74 VAL CG1 C 21.9056 . 2 401 74 74 VAL N N 122.2180 . 1 402 75 75 ALA H H 8.5808 . 1 403 75 75 ALA HA H 4.4248 . 1 404 75 75 ALA HB H 1.4051 . 1 405 75 75 ALA C C 176.4039 . 1 406 75 75 ALA CA C 52.4268 . 1 407 75 75 ALA CB C 20.4713 . 1 408 75 75 ALA N N 128.6295 . 1 409 76 76 ALA H H 7.4384 . 1 410 76 76 ALA HA H 4.6573 . 1 411 76 76 ALA HB H 1.3243 . 1 412 76 76 ALA C C 175.9252 . 1 413 76 76 ALA CA C 50.9948 . 1 414 76 76 ALA CB C 22.3653 . 1 415 76 76 ALA N N 120.4815 . 1 416 77 77 THR H H 8.3901 . 1 417 77 77 THR HA H 4.7335 . 1 418 77 77 THR HB H 4.1104 . 1 419 77 77 THR HG2 H 1.1946 . 1 420 77 77 THR C C 174.1430 . 1 421 77 77 THR CA C 63.9142 . 1 422 77 77 THR CB C 70.0703 . 1 423 77 77 THR CG2 C 20.7980 . 1 424 77 77 THR N N 121.4636 . 1 425 78 78 THR H H 8.3547 . 1 426 78 78 THR HA H 4.6444 . 1 427 78 78 THR HB H 3.4838 . 1 428 78 78 THR HG2 H 0.4610 . 1 429 78 78 THR C C 181.6836 . 1 430 78 78 THR CA C 62.5106 . 1 431 78 78 THR CB C 72.8463 . 1 432 78 78 THR CG2 C 20.7533 . 1 433 78 78 THR N N 123.5383 . 1 434 79 79 VAL H H 8.6847 . 1 435 79 79 VAL HA H 4.5962 . 1 436 79 79 VAL HB H 2.0863 . 1 437 79 79 VAL HG1 H 0.9546 . 2 438 79 79 VAL HG2 H 0.6918 . 2 439 79 79 VAL C C 173.7016 . 1 440 79 79 VAL CA C 60.3850 . 1 441 79 79 VAL CB C 33.0886 . 1 442 79 79 VAL CG1 C 21.7925 . 2 443 79 79 VAL N N 126.4548 . 1 444 80 80 TYR H H 9.7016 . 1 445 80 80 TYR HA H 6.3999 . 1 446 80 80 TYR HB2 H 2.7220 . 2 447 80 80 TYR C C 176.4103 . 1 448 80 80 TYR CA C 56.6085 . 1 449 80 80 TYR CB C 42.5671 . 1 450 80 80 TYR N N 123.5738 . 1 451 81 81 TYR H H 8.2212 . 1 452 81 81 TYR HA H 5.4742 . 1 453 81 81 TYR HB2 H 3.0988 . 2 454 81 81 TYR HB3 H 2.6736 . 2 455 81 81 TYR C C 173.2373 . 1 456 81 81 TYR CA C 55.4982 . 1 457 81 81 TYR CB C 42.2493 . 1 458 81 81 TYR N N 117.7543 . 1 459 82 82 THR H H 8.2451 . 1 460 82 82 THR HA H 4.7242 . 1 461 82 82 THR HB H 4.3760 . 1 462 82 82 THR HG2 H 1.1775 . 1 463 82 82 THR C C 174.5213 . 1 464 82 82 THR CA C 60.8958 . 1 465 82 82 THR CB C 71.5064 . 1 466 82 82 THR CG2 C 21.6350 . 1 467 82 82 THR N N 111.0556 . 1 468 83 83 GLU H H 8.7722 . 1 469 83 83 GLU HA H 4.4770 . 1 470 83 83 GLU HB2 H 1.9890 . 2 471 83 83 GLU HG2 H 2.3534 . 2 472 83 83 GLU C C 176.1518 . 1 473 83 83 GLU CA C 57.1787 . 1 474 83 83 GLU CB C 28.7139 . 1 475 83 83 GLU CG C 36.5667 . 1 476 83 83 GLU N N 117.0584 . 1 477 84 84 VAL H H 7.8180 . 1 478 84 84 VAL HA H 3.8942 . 1 479 84 84 VAL HB H 1.8335 . 1 480 84 84 VAL HG1 H 1.0192 . 2 481 84 84 VAL C C 177.1702 . 1 482 84 84 VAL CA C 63.6778 . 1 483 84 84 VAL CB C 32.4736 . 1 484 84 84 VAL CG1 C 22.3767 . 2 485 84 84 VAL CG2 C 21.3133 . 2 486 84 84 VAL N N 123.0392 . 1 487 85 85 GLU H H 8.7963 . 1 488 85 85 GLU HA H 3.8917 . 1 489 85 85 GLU CA C 59.0046 . 1 490 85 85 GLU CB C 29.5231 . 1 491 85 85 GLU N N 129.3514 . 1 492 86 86 GLY HA2 H 4.4042 . 2 493 86 86 GLY HA3 H 3.8700 . 2 494 86 86 GLY C C 176.3209 . 1 495 86 86 GLY CA C 45.8757 . 1 496 87 87 GLU H H 8.1326 . 1 497 87 87 GLU HA H 3.9480 . 1 498 87 87 GLU HB2 H 2.0620 . 2 499 87 87 GLU HG2 H 2.2746 . 2 500 87 87 GLU HG3 H 2.5242 . 2 501 87 87 GLU C C 178.2756 . 1 502 87 87 GLU CA C 61.7622 . 1 503 87 87 GLU CB C 30.0962 . 1 504 87 87 GLU CG C 36.1258 . 1 505 87 87 GLU N N 121.7731 . 1 506 88 88 ARG H H 9.1315 . 1 507 88 88 ARG HA H 3.3617 . 1 508 88 88 ARG HB2 H 1.6851 . 2 509 88 88 ARG HG2 H 1.4425 . 2 510 88 88 ARG HG3 H 0.7540 . 2 511 88 88 ARG HD3 H 2.4619 . 2 512 88 88 ARG C C 177.2294 . 1 513 88 88 ARG CA C 59.4926 . 1 514 88 88 ARG CB C 29.0595 . 1 515 88 88 ARG CG C 26.1917 . 1 516 88 88 ARG CD C 41.3396 . 1 517 88 88 ARG N N 121.4659 . 1 518 89 89 ALA H H 8.3882 . 1 519 89 89 ALA HA H 4.1827 . 1 520 89 89 ALA HB H 1.4541 . 1 521 89 89 ALA C C 181.9491 . 1 522 89 89 ALA CA C 55.2820 . 1 523 89 89 ALA CB C 18.1284 . 1 524 89 89 ALA N N 119.5273 . 1 525 90 90 THR H H 7.6399 . 1 526 90 90 THR HA H 4.1465 . 1 527 90 90 THR HB H 4.2857 . 1 528 90 90 THR HG2 H 1.2964 . 1 529 90 90 THR C C 175.1184 . 1 530 90 90 THR CA C 66.6066 . 1 531 90 90 THR CB C 68.9710 . 1 532 90 90 THR CG2 C 21.1173 . 1 533 90 90 THR N N 115.2795 . 1 534 91 91 ALA H H 9.0945 . 1 535 91 91 ALA HA H 3.7694 . 1 536 91 91 ALA HB H 1.4826 . 1 537 91 91 ALA C C 178.5458 . 1 538 91 91 ALA CA C 55.5519 . 1 539 91 91 ALA CB C 19.2535 . 1 540 91 91 ALA N N 124.7837 . 1 541 92 92 ASP H H 8.8976 . 1 542 92 92 ASP HA H 4.4167 . 1 543 92 92 ASP HB2 H 2.6357 . 2 544 92 92 ASP C C 179.0534 . 1 545 92 92 ASP CA C 57.6420 . 1 546 92 92 ASP CB C 40.4288 . 1 547 92 92 ASP N N 118.3103 . 1 548 93 93 ALA H H 7.4240 . 1 549 93 93 ALA HA H 4.2740 . 1 550 93 93 ALA HB H 1.8717 . 1 551 93 93 ALA C C 180.9329 . 1 552 93 93 ALA CA C 55.5748 . 1 553 93 93 ALA CB C 18.1759 . 1 554 93 93 ALA N N 122.9801 . 1 555 94 94 VAL H H 8.8078 . 1 556 94 94 VAL HA H 2.9442 . 1 557 94 94 VAL HB H 1.9748 . 1 558 94 94 VAL HG1 H 0.5596 . 2 559 94 94 VAL HG2 H 0.0751 . 2 560 94 94 VAL C C 178.2689 . 1 561 94 94 VAL CA C 66.3993 . 1 562 94 94 VAL CB C 30.7030 . 1 563 94 94 VAL CG1 C 22.8117 . 2 564 94 94 VAL N N 123.9676 . 1 565 95 95 GLY H H 9.3549 . 1 566 95 95 GLY HA2 H 3.7042 . 2 567 95 95 GLY HA3 H 3.5121 . 2 568 95 95 GLY C C 176.4403 . 1 569 95 95 GLY CA C 47.9194 . 1 570 95 95 GLY N N 108.2816 . 1 571 96 96 ARG H H 8.1124 . 1 572 96 96 ARG HA H 4.2030 . 1 573 96 96 ARG HB2 H 1.9911 . 2 574 96 96 ARG HG2 H 1.6805 . 2 575 96 96 ARG HD3 H 3.2702 . 2 576 96 96 ARG C C 179.1011 . 1 577 96 96 ARG CA C 59.2102 . 1 578 96 96 ARG CB C 30.5344 . 1 579 96 96 ARG CG C 27.9348 . 1 580 96 96 ARG CD C 43.4140 . 1 581 96 96 ARG N N 120.8522 . 1 582 97 97 THR H H 7.8545 . 1 583 97 97 THR HA H 3.9863 . 1 584 97 97 THR HB H 4.3461 . 1 585 97 97 THR HG2 H 1.2200 . 1 586 97 97 THR C C 175.4506 . 1 587 97 97 THR CA C 66.8674 . 1 588 97 97 THR CB C 68.2051 . 1 589 97 97 THR CG2 C 20.9422 . 1 590 97 97 THR N N 117.1699 . 1 591 98 98 LEU H H 7.8548 . 1 592 98 98 LEU HA H 4.3053 . 1 593 98 98 LEU HB2 H 1.5044 . 2 594 98 98 LEU HG H 1.7331 . 1 595 98 98 LEU HD1 H 0.7613 . 2 596 98 98 LEU HD2 H 0.5610 . 2 597 98 98 LEU C C 177.5371 . 1 598 98 98 LEU CA C 54.5826 . 1 599 98 98 LEU CB C 43.3728 . 1 600 98 98 LEU CG C 26.2672 . 1 601 98 98 LEU CD1 C 21.3626 . 2 602 98 98 LEU N N 115.2938 . 1 603 99 99 GLY H H 8.1015 . 1 604 99 99 GLY HA2 H 3.9109 . 2 605 99 99 GLY C C 173.9968 . 1 606 99 99 GLY CA C 46.9928 . 1 607 99 99 GLY N N 111.9311 . 1 608 100 100 ALA H H 8.0333 . 1 609 100 100 ALA HA H 4.7368 . 1 610 100 100 ALA HB H 1.1425 . 1 611 100 100 ALA C C 175.3509 . 1 612 100 100 ALA CA C 50.4064 . 1 613 100 100 ALA CB C 23.9586 . 1 614 100 100 ALA N N 121.7390 . 1 615 101 101 ALA H H 7.7817 . 1 616 101 101 ALA HA H 4.2092 . 1 617 101 101 ALA HB H 1.4514 . 1 618 101 101 ALA C C 175.1795 . 1 619 101 101 ALA CA C 52.7374 . 1 620 101 101 ALA CB C 19.8140 . 1 621 101 101 ALA N N 122.8946 . 1 622 102 102 VAL H H 7.8715 . 1 623 102 102 VAL HA H 5.0541 . 1 624 102 102 VAL HB H 1.9496 . 1 625 102 102 VAL HG1 H 0.9045 . 2 626 102 102 VAL C C 176.5872 . 1 627 102 102 VAL CA C 60.9880 . 1 628 102 102 VAL CB C 33.7255 . 1 629 102 102 VAL CG1 C 21.9768 . 2 630 102 102 VAL N N 120.0349 . 1 631 103 103 GLU H H 9.2150 . 1 632 103 103 GLU HA H 4.8786 . 1 633 103 103 GLU HB2 H 1.5986 . 2 634 103 103 GLU HG2 H 2.1833 . 2 635 103 103 GLU C C 174.3432 . 1 636 103 103 GLU CA C 54.3506 . 1 637 103 103 GLU CB C 35.5951 . 1 638 103 103 GLU CG C 37.2447 . 1 639 103 103 GLU N N 126.4685 . 1 640 104 104 LEU H H 8.2731 . 1 641 104 104 LEU HA H 3.5914 . 1 642 104 104 LEU HB2 H 1.4199 . 2 643 104 104 LEU HD1 H 0.7843 . 2 644 104 104 LEU C C 178.3785 . 1 645 104 104 LEU CA C 54.9205 . 1 646 104 104 LEU CB C 42.9100 . 1 647 104 104 LEU CG C 26.8805 . 1 648 104 104 LEU CD1 C 24.9262 . 2 649 104 104 LEU N N 123.1088 . 1 650 105 105 ARG H H 8.3001 . 1 651 105 105 ARG HA H 4.2614 . 1 652 105 105 ARG C C 177.0435 . 1 653 105 105 ARG CA C 59.3096 . 1 654 105 105 ARG CB C 32.0767 . 1 655 105 105 ARG N N 119.7896 . 1 656 106 106 LEU H H 8.0260 . 1 657 106 106 LEU HA H 4.3980 . 1 658 106 106 LEU HB2 H 2.0583 . 2 659 106 106 LEU HG H 1.5695 . 1 660 106 106 LEU HD1 H 0.9333 . 2 661 106 106 LEU CA C 54.7007 . 1 662 106 106 LEU CB C 42.4692 . 1 663 106 106 LEU N N 122.4314 . 1 664 107 107 PRO HA H 4.2388 . 1 665 107 107 PRO HB3 H 2.3482 . 2 666 107 107 PRO HG2 H 2.1168 . 2 667 107 107 PRO HG3 H 1.9147 . 2 668 107 107 PRO C C 179.6272 . 1 669 107 107 PRO CA C 65.8977 . 1 670 107 107 PRO CB C 31.5192 . 1 671 107 107 PRO CG C 27.7849 . 1 672 107 107 PRO CD C 37.0759 . 1 673 108 108 GLU H H 9.6049 . 1 674 108 108 GLU HA H 4.0983 . 1 675 108 108 GLU HB2 H 1.8805 . 2 676 108 108 GLU HG2 H 2.2620 . 2 677 108 108 GLU C C 176.9566 . 1 678 108 108 GLU CA C 59.5841 . 1 679 108 108 GLU CB C 29.1571 . 1 680 108 108 GLU CG C 35.7086 . 1 681 108 108 GLU N N 116.7443 . 1 682 109 109 LEU H H 7.6301 . 1 683 109 109 LEU HA H 4.5298 . 1 684 109 109 LEU HB2 H 1.3854 . 2 685 109 109 LEU HG H 1.1663 . 1 686 109 109 LEU HD1 H 0.2409 . 2 687 109 109 LEU HD2 H 0.6205 . 2 688 109 109 LEU C C 177.8943 . 1 689 109 109 LEU CA C 53.4892 . 1 690 109 109 LEU CB C 42.2407 . 1 691 109 109 LEU CG C 26.3798 . 1 692 109 109 LEU CD1 C 22.6151 . 2 693 109 109 LEU N N 116.5746 . 1 694 110 110 SER H H 7.7566 . 1 695 110 110 SER HA H 3.9430 . 1 696 110 110 SER HB2 H 4.0051 . 2 697 110 110 SER C C 174.2729 . 1 698 110 110 SER CA C 59.5428 . 1 699 110 110 SER CB C 63.6089 . 1 700 110 110 SER N N 117.0308 . 1 701 111 111 ASP H H 8.3146 . 1 702 111 111 ASP HA H 4.5822 . 1 703 111 111 ASP HB2 H 2.6505 . 2 704 111 111 ASP C C 176.7604 . 1 705 111 111 ASP CA C 53.9758 . 1 706 111 111 ASP CB C 40.1832 . 1 707 111 111 ASP N N 117.8041 . 1 708 112 112 GLN H H 7.2120 . 1 709 112 112 GLN HA H 4.2995 . 1 710 112 112 GLN HB2 H 1.9190 . 2 711 112 112 GLN HG2 H 2.1742 . 2 712 112 112 GLN CA C 55.0135 . 1 713 112 112 GLN CB C 26.5681 . 1 714 112 112 GLN N N 119.2998 . 1 715 114 114 PRO HA H 4.5265 . 1 716 114 114 PRO HB3 H 2.4331 . 2 717 114 114 PRO HG2 H 2.1105 . 2 718 114 114 PRO HD3 H 1.8947 . 2 719 114 114 PRO C C 175.4643 . 1 720 114 114 PRO CA C 64.0691 . 1 721 114 114 PRO CB C 32.4468 . 1 722 114 114 PRO CG C 27.6852 . 1 723 114 114 PRO CD C 50.9801 . 1 724 115 115 GLY H H 8.4429 . 1 725 115 115 GLY HA2 H 4.3910 . 2 726 115 115 GLY HA3 H 3.7768 . 2 727 115 115 GLY C C 173.5524 . 1 728 115 115 GLY CA C 43.9525 . 1 729 115 115 GLY N N 113.8174 . 1 730 116 116 VAL H H 8.9567 . 1 731 116 116 VAL HA H 4.1309 . 1 732 116 116 VAL HB H 2.0636 . 1 733 116 116 VAL HG1 H 1.1034 . 2 734 116 116 VAL HG2 H 0.8867 . 2 735 116 116 VAL C C 174.5328 . 1 736 116 116 VAL CA C 63.9159 . 1 737 116 116 VAL CB C 32.3419 . 1 738 116 116 VAL CG1 C 24.3442 . 2 739 116 116 VAL CG2 C 22.1001 . 2 740 116 116 VAL N N 122.0489 . 1 741 117 117 ILE H H 7.8634 . 1 742 117 117 ILE HA H 4.9385 . 1 743 117 117 ILE HB H 1.8164 . 1 744 117 117 ILE HG2 H 0.7558 . 1 745 117 117 ILE HG2 H 1.0482 . 1 746 117 117 ILE C C 174.1808 . 1 747 117 117 ILE CA C 60.0691 . 1 748 117 117 ILE CB C 42.3684 . 1 749 117 117 ILE CG1 C 27.7748 . 1 750 117 117 ILE CG2 C 17.9695 . 1 751 117 117 ILE CD1 C 14.4247 . 1 752 117 117 ILE N N 126.1018 . 1 753 118 118 VAL H H 9.3476 . 1 754 118 118 VAL HA H 4.9244 . 1 755 118 118 VAL HB H 1.9691 . 1 756 118 118 VAL HG1 H 0.7101 . 2 757 118 118 VAL C C 175.2239 . 1 758 118 118 VAL CA C 60.5797 . 1 759 118 118 VAL CB C 33.9453 . 1 760 118 118 VAL CG1 C 22.6826 . 2 761 118 118 VAL CG2 C 21.1421 . 2 762 118 118 VAL N N 127.6655 . 1 763 119 119 VAL H H 9.0963 . 1 764 119 119 VAL HA H 5.5632 . 1 765 119 119 VAL HB H 2.2524 . 1 766 119 119 VAL HG1 H 1.2495 . 2 767 119 119 VAL HG2 H 1.0225 . 2 768 119 119 VAL C C 174.4255 . 1 769 119 119 VAL CA C 58.6911 . 1 770 119 119 VAL CB C 32.8860 . 1 771 119 119 VAL CG1 C 22.1073 . 2 772 119 119 VAL CG2 C 21.1567 . 2 773 119 119 VAL N N 121.8281 . 1 774 120 120 VAL H H 8.8095 . 1 775 120 120 VAL HA H 4.8179 . 1 776 120 120 VAL HB H 2.0425 . 1 777 120 120 VAL HG1 H 0.8922 . 2 778 120 120 VAL C C 175.6486 . 1 779 120 120 VAL CA C 60.6308 . 1 780 120 120 VAL CB C 34.5499 . 1 781 120 120 VAL CG1 C 21.8473 . 2 782 120 120 VAL N N 120.2605 . 1 783 121 121 THR H H 7.8590 . 1 784 121 121 THR HA H 4.4276 . 1 785 121 121 THR HB H 4.3356 . 1 786 121 121 THR HG2 H 0.8118 . 1 787 121 121 THR C C 173.8332 . 1 788 121 121 THR CA C 60.8340 . 1 789 121 121 THR CB C 69.4132 . 1 790 121 121 THR CG2 C 21.1694 . 1 791 121 121 THR N N 114.5636 . 1 792 122 122 GLY H H 7.5080 . 1 793 122 122 GLY HA2 H 3.7906 . 2 794 122 122 GLY CA C 46.4640 . 1 795 122 122 GLY N N 115.3693 . 1 stop_ save_