data_36143 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; zinc finger domain of METTL3-METTL14 N6-methyladenosine methyltransferase ; _BMRB_accession_number 36143 _BMRB_flat_file_name bmr36143.str _Entry_type original _Submission_date 2017-12-13 _Accession_date 2018-05-23 _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 Dong X. . . 2 Tang C. . . 3 Gong Z. . . 4 Yin P. . . 5 Huang J. B. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 438 "13C chemical shifts" 364 "15N chemical shifts" 95 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-06-21 update BMRB 'update entry citation' 2018-05-25 original author 'original release' stop_ _Original_release_date 2018-05-23 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the RNA recognition domain of METTL3-METTL14 N6-methyladenosine methyltransferase ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29542011 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Huang J. . . 2 Dong X. . . 3 Gong Z. . . 4 Qin L. Y. . 5 Yang S. . . 6 Zhu Y. L. . 7 Wang X. . . 8 Zhang D. . . 9 Zou T. . . 10 Yin P. . . 11 Tang C. . . stop_ _Journal_abbreviation 'Protein Cell' _Journal_volume 10 _Journal_issue 4 _Journal_ISSN 1674-8018 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 272 _Page_last 284 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'N6-adenosine-methyltransferase catalytic subunit (E.C.2.1.1.62)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_ZN_1 $entity_ZN entity_ZN_2 $entity_ZN stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 11753.191 _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 102 _Mol_residue_sequence ; AHMSIVEKFRSRGRAQVQEF CDYGTKEECMKASDADRPCR KLHFRRIINKHTDESLGDCS FLNTCFHMDTCKYVHYEIDA SMDSEAPGSKDHTPSQELAL TQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 256 ALA 2 257 HIS 3 258 MET 4 259 SER 5 260 ILE 6 261 VAL 7 262 GLU 8 263 LYS 9 264 PHE 10 265 ARG 11 266 SER 12 267 ARG 13 268 GLY 14 269 ARG 15 270 ALA 16 271 GLN 17 272 VAL 18 273 GLN 19 274 GLU 20 275 PHE 21 276 CYS 22 277 ASP 23 278 TYR 24 279 GLY 25 280 THR 26 281 LYS 27 282 GLU 28 283 GLU 29 284 CYS 30 285 MET 31 286 LYS 32 287 ALA 33 288 SER 34 289 ASP 35 290 ALA 36 291 ASP 37 292 ARG 38 293 PRO 39 294 CYS 40 295 ARG 41 296 LYS 42 297 LEU 43 298 HIS 44 299 PHE 45 300 ARG 46 301 ARG 47 302 ILE 48 303 ILE 49 304 ASN 50 305 LYS 51 306 HIS 52 307 THR 53 308 ASP 54 309 GLU 55 310 SER 56 311 LEU 57 312 GLY 58 313 ASP 59 314 CYS 60 315 SER 61 316 PHE 62 317 LEU 63 318 ASN 64 319 THR 65 320 CYS 66 321 PHE 67 322 HIS 68 323 MET 69 324 ASP 70 325 THR 71 326 CYS 72 327 LYS 73 328 TYR 74 329 VAL 75 330 HIS 76 331 TYR 77 332 GLU 78 333 ILE 79 334 ASP 80 335 ALA 81 336 SER 82 337 MET 83 338 ASP 84 339 SER 85 340 GLU 86 341 ALA 87 342 PRO 88 343 GLY 89 344 SER 90 345 LYS 91 346 ASP 92 347 HIS 93 348 THR 94 349 PRO 95 350 SER 96 351 GLN 97 352 GLU 98 353 LEU 99 354 ALA 100 355 LEU 101 356 THR 102 357 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common 'ZINC ION' _BMRB_code ZN _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? 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 _Gene_mnemonic $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens 'METTL3, MTA70' 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_1 'recombinant technology' . Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '20 mM PBS, 100 mM sodium chloride, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.8 mM '[U-13C; U-15N]' PBS 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CcpNMR _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement 'structure calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 850 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _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' 100 . mM pH 6.8 . pH pressure 1 . atm temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 water C 13 protons ppm 4.7 na indirect . . . 0.251449530 water H 1 protons ppm 4.7 internal direct . . . 1.0 water N 15 protons ppm 4.7 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCACB' '3D CBCA(CO)NH' '3D H(CCO)NH' '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _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 1 259 4 SER H H 8.59307 . . 2 259 4 SER C C 175.54563 . . 3 259 4 SER CA C 58.67397 . . 4 259 4 SER CB C 63.97010 . . 5 259 4 SER N N 118.38953 . . 6 260 5 ILE H H 8.14033 . . 7 260 5 ILE HA H 3.50879 . . 8 260 5 ILE HB H 1.55018 . . 9 260 5 ILE HG2 H 0.03750 . . 10 260 5 ILE HD1 H 0.24924 . . 11 260 5 ILE C C 177.20266 . . 12 260 5 ILE CA C 63.04327 . . 13 260 5 ILE CB C 37.06815 . . 14 260 5 ILE CG2 C 18.03216 . . 15 260 5 ILE CD1 C 12.81536 . . 16 260 5 ILE N N 121.84370 . . 17 261 6 VAL H H 7.69052 . . 18 261 6 VAL HA H 3.45873 . . 19 261 6 VAL HB H 2.02062 . . 20 261 6 VAL HG1 H 0.80675 . . 21 261 6 VAL HG2 H 1.07954 . . 22 261 6 VAL C C 177.65983 . . 23 261 6 VAL CA C 66.97532 . . 24 261 6 VAL CB C 31.84561 . . 25 261 6 VAL CG1 C 21.16951 . . 26 261 6 VAL CG2 C 23.01558 . . 27 261 6 VAL N N 119.78077 . . 28 262 7 GLU H H 7.58927 . . 29 262 7 GLU HA H 3.89343 . . 30 262 7 GLU HB2 H 1.97170 . . 31 262 7 GLU HB3 H 2.05507 . . 32 262 7 GLU HG2 H 2.21343 . . 33 262 7 GLU HG3 H 2.28688 . . 34 262 7 GLU C C 179.25275 . . 35 262 7 GLU CA C 59.06386 . . 36 262 7 GLU CB C 29.48514 . . 37 262 7 GLU CG C 37.01287 . . 38 262 7 GLU N N 118.63410 . . 39 263 8 LYS H H 7.84184 . . 40 263 8 LYS HA H 3.86350 . . 41 263 8 LYS HB2 H 1.44661 . . 42 263 8 LYS HB3 H 1.66032 . . 43 263 8 LYS HG2 H 1.16878 . . 44 263 8 LYS HG3 H 1.40924 . . 45 263 8 LYS C C 179.35960 . . 46 263 8 LYS CA C 59.76528 . . 47 263 8 LYS CB C 32.17909 . . 48 263 8 LYS CG C 26.16884 . . 49 263 8 LYS CD C 29.53600 . . 50 263 8 LYS N N 120.54788 . . 51 264 9 PHE H H 7.80439 . . 52 264 9 PHE HA H 3.78093 . . 53 264 9 PHE HB2 H 2.07368 . . 54 264 9 PHE HB3 H 2.32055 . . 55 264 9 PHE HD1 H 6.82553 . . 56 264 9 PHE HD2 H 6.82553 . . 57 264 9 PHE C C 178.67719 . . 58 264 9 PHE CA C 62.52408 . . 59 264 9 PHE CB C 37.89965 . . 60 264 9 PHE N N 119.07975 . . 61 265 10 ARG H H 8.16180 . . 62 265 10 ARG HA H 4.09529 . . 63 265 10 ARG HB2 H 1.77388 . . 64 265 10 ARG HB3 H 2.28529 . . 65 265 10 ARG HD2 H 3.09186 . . 66 265 10 ARG C C 172.67037 . . 67 265 10 ARG CA C 59.11965 . . 68 265 10 ARG CB C 30.28863 . . 69 265 10 ARG N N 118.75826 . . 70 266 11 SER H H 7.93402 . . 71 266 11 SER HA H 3.96774 . . 72 266 11 SER C C 175.33115 . . 73 266 11 SER CA C 60.13011 . . 74 266 11 SER CB C 63.59019 . . 75 266 11 SER N N 113.75398 . . 76 267 12 ARG H H 7.51063 . . 77 267 12 ARG HA H 4.32506 . . 78 267 12 ARG HB2 H 1.72823 . . 79 267 12 ARG HG2 H 1.89311 . . 80 267 12 ARG C C 176.97149 . . 81 267 12 ARG CA C 56.64655 . . 82 267 12 ARG CB C 30.50863 . . 83 267 12 ARG CG C 27.18065 . . 84 267 12 ARG CD C 43.52789 . . 85 267 12 ARG N N 120.55641 . . 86 268 13 GLY H H 8.03100 . . 87 268 13 GLY HA2 H 3.94311 . . 88 268 13 GLY HA3 H 4.08906 . . 89 268 13 GLY C C 174.48037 . . 90 268 13 GLY CA C 45.90030 . . 91 268 13 GLY N N 108.29392 . . 92 269 14 ARG H H 8.08732 . . 93 269 14 ARG HA H 4.46668 . . 94 269 14 ARG HB2 H 1.85048 . . 95 269 14 ARG HG2 H 1.63481 . . 96 269 14 ARG HD2 H 3.16388 . . 97 269 14 ARG C C 176.29367 . . 98 269 14 ARG CA C 56.51468 . . 99 269 14 ARG CB C 30.53433 . . 100 269 14 ARG CG C 27.10952 . . 101 269 14 ARG CD C 43.56559 . . 102 269 14 ARG N N 120.42206 . . 103 270 15 ALA H H 8.32299 . . 104 270 15 ALA HA H 4.30787 . . 105 270 15 ALA HB H 1.41348 . . 106 270 15 ALA C C 177.57486 . . 107 270 15 ALA CA C 52.98552 . . 108 270 15 ALA CB C 19.21651 . . 109 270 15 ALA N N 123.37854 . . 110 271 16 GLN H H 8.14232 . . 111 271 16 GLN HA H 4.36099 . . 112 271 16 GLN HB2 H 2.08480 . . 113 271 16 GLN HB3 H 2.16188 . . 114 271 16 GLN HG2 H 2.32733 . . 115 271 16 GLN C C 175.97125 . . 116 271 16 GLN CA C 55.82946 . . 117 271 16 GLN CB C 29.52766 . . 118 271 16 GLN CG C 34.25037 . . 119 271 16 GLN N N 117.88876 . . 120 272 17 VAL H H 8.09023 . . 121 272 17 VAL HA H 3.98507 . . 122 272 17 VAL HB H 2.13552 . . 123 272 17 VAL HG1 H 0.91180 . . 124 272 17 VAL HG2 H 0.91180 . . 125 272 17 VAL C C 176.24219 . . 126 272 17 VAL CA C 63.45429 . . 127 272 17 VAL CB C 32.09354 . . 128 272 17 VAL CG1 C 21.09149 . . 129 272 17 VAL N N 119.13217 . . 130 273 18 GLN H H 8.02122 . . 131 273 18 GLN HA H 4.30634 . . 132 273 18 GLN HB2 H 1.83691 . . 133 273 18 GLN HB3 H 1.83691 . . 134 273 18 GLN HG2 H 2.27812 . . 135 273 18 GLN HG3 H 2.28057 . . 136 273 18 GLN C C 174.88144 . . 137 273 18 GLN CA C 55.65114 . . 138 273 18 GLN CB C 30.34006 . . 139 273 18 GLN CG C 34.43987 . . 140 273 18 GLN N N 121.17116 . . 141 274 19 GLU H H 8.20913 . . 142 274 19 GLU HA H 4.30261 . . 143 274 19 GLU HB2 H 1.83157 . . 144 274 19 GLU HB3 H 1.89459 . . 145 274 19 GLU HG2 H 2.09567 . . 146 274 19 GLU HG3 H 2.22522 . . 147 274 19 GLU C C 175.38288 . . 148 274 19 GLU CA C 55.87611 . . 149 274 19 GLU CB C 31.23957 . . 150 274 19 GLU CG C 37.03283 . . 151 274 19 GLU N N 120.66267 . . 152 275 20 PHE H H 8.77755 . . 153 275 20 PHE HA H 4.41029 . . 154 275 20 PHE HB2 H 2.61768 . . 155 275 20 PHE HB3 H 2.99403 . . 156 275 20 PHE HD1 H 7.03941 . . 157 275 20 PHE HD2 H 7.03941 . . 158 275 20 PHE C C 175.30776 . . 159 275 20 PHE CA C 57.43289 . . 160 275 20 PHE CB C 41.17803 . . 161 275 20 PHE CD1 C 127.06241 . . 162 275 20 PHE CD2 C 127.06241 . . 163 275 20 PHE N N 121.05205 . . 164 276 21 CYS H H 8.68522 . . 165 276 21 CYS HA H 3.69901 . . 166 276 21 CYS HB2 H 1.57874 . . 167 276 21 CYS HB3 H 2.32085 . . 168 276 21 CYS C C 176.93963 . . 169 276 21 CYS CA C 60.59652 . . 170 276 21 CYS CB C 30.78727 . . 171 276 21 CYS N N 126.37256 . . 172 277 22 ASP H H 8.61998 . . 173 277 22 ASP HA H 4.21915 . . 174 277 22 ASP HB2 H 1.97220 . . 175 277 22 ASP HB3 H 2.29780 . . 176 277 22 ASP C C 176.96016 . . 177 277 22 ASP CA C 57.45655 . . 178 277 22 ASP CB C 41.36073 . . 179 277 22 ASP N N 129.00280 . . 180 278 23 TYR H H 8.85587 . . 181 278 23 TYR HA H 4.40453 . . 182 278 23 TYR HB2 H 3.01286 . . 183 278 23 TYR HB3 H 3.06585 . . 184 278 23 TYR HD1 H 7.23243 . . 185 278 23 TYR HD2 H 7.23243 . . 186 278 23 TYR C C 177.42894 . . 187 278 23 TYR CA C 59.31511 . . 188 278 23 TYR CB C 38.01850 . . 189 278 23 TYR N N 117.93399 . . 190 279 24 GLY H H 7.58675 . . 191 279 24 GLY HA2 H 3.31633 . . 192 279 24 GLY HA3 H 4.17096 . . 193 279 24 GLY C C 178.31115 . . 194 279 24 GLY CA C 48.55481 . . 195 279 24 GLY N N 108.06954 . . 196 280 25 THR H H 7.93214 . . 197 280 25 THR HA H 4.87834 . . 198 280 25 THR HB H 4.73197 . . 199 280 25 THR HG2 H 1.29299 . . 200 280 25 THR C C 175.44125 . . 201 280 25 THR CA C 59.24362 . . 202 280 25 THR CB C 71.93576 . . 203 280 25 THR CG2 C 22.05152 . . 204 280 25 THR N N 113.80206 . . 205 281 26 LYS H H 9.34734 . . 206 281 26 LYS HA H 4.81149 . . 207 281 26 LYS HB2 H 1.45869 . . 208 281 26 LYS HB3 H 1.53353 . . 209 281 26 LYS HG2 H 1.27687 . . 210 281 26 LYS HG3 H 1.27687 . . 211 281 26 LYS HD2 H 1.54503 . . 212 281 26 LYS HE2 H 3.25749 . . 213 281 26 LYS C C 177.99828 . . 214 281 26 LYS CA C 60.11081 . . 215 281 26 LYS CB C 32.18623 . . 216 281 26 LYS CG C 26.11367 . . 217 281 26 LYS CD C 29.71167 . . 218 281 26 LYS N N 121.98906 . . 219 282 27 GLU H H 8.67832 . . 220 282 27 GLU HA H 3.88751 . . 221 282 27 GLU HB2 H 1.90197 . . 222 282 27 GLU HB3 H 2.06977 . . 223 282 27 GLU HG2 H 2.21235 . . 224 282 27 GLU C C 179.53724 . . 225 282 27 GLU CA C 60.61321 . . 226 282 27 GLU CB C 29.36822 . . 227 282 27 GLU CG C 36.99645 . . 228 282 27 GLU N N 117.67289 . . 229 283 28 GLU H H 7.67232 . . 230 283 28 GLU HA H 3.95499 . . 231 283 28 GLU HG2 H 2.27182 . . 232 283 28 GLU C C 178.15768 . . 233 283 28 GLU CA C 59.13893 . . 234 283 28 GLU CB C 29.48541 . . 235 283 28 GLU CG C 36.65940 . . 236 283 28 GLU N N 119.67032 . . 237 284 29 CYS H H 8.22202 . . 238 284 29 CYS HA H 3.66493 . . 239 284 29 CYS HB2 H 2.24362 . . 240 284 29 CYS HB3 H 3.15393 . . 241 284 29 CYS C C 177.96600 . . 242 284 29 CYS CA C 62.96129 . . 243 284 29 CYS CB C 29.52206 . . 244 284 29 CYS N N 124.01580 . . 245 285 30 MET H H 8.05506 . . 246 285 30 MET HA H 3.83570 . . 247 285 30 MET HB2 H 1.97643 . . 248 285 30 MET HB3 H 2.10345 . . 249 285 30 MET HG2 H 2.31778 . . 250 285 30 MET C C 178.53721 . . 251 285 30 MET CA C 59.78101 . . 252 285 30 MET CB C 33.37208 . . 253 285 30 MET CG C 33.10757 . . 254 285 30 MET N N 116.67782 . . 255 286 31 LYS H H 7.49389 . . 256 286 31 LYS HA H 3.99812 . . 257 286 31 LYS HB2 H 1.79313 . . 258 286 31 LYS HB3 H 1.79313 . . 259 286 31 LYS HG2 H 1.46078 . . 260 286 31 LYS C C 178.77276 . . 261 286 31 LYS CA C 58.85519 . . 262 286 31 LYS CB C 32.63960 . . 263 286 31 LYS CG C 24.99654 . . 264 286 31 LYS CD C 29.36716 . . 265 286 31 LYS N N 118.17954 . . 266 287 32 ALA H H 7.69706 . . 267 287 32 ALA HA H 3.96926 . . 268 287 32 ALA HB H 0.73266 . . 269 287 32 ALA C C 179.17097 . . 270 287 32 ALA CA C 54.00140 . . 271 287 32 ALA CB C 18.18387 . . 272 287 32 ALA N N 120.55335 . . 273 288 33 SER H H 7.63344 . . 274 288 33 SER HA H 4.37704 . . 275 288 33 SER HB2 H 3.91229 . . 276 288 33 SER HB3 H 3.92237 . . 277 288 33 SER C C 174.07315 . . 278 288 33 SER CA C 58.34343 . . 279 288 33 SER CB C 64.19094 . . 280 288 33 SER N N 111.15956 . . 281 289 34 ASP H H 7.99425 . . 282 289 34 ASP HA H 4.33662 . . 283 289 34 ASP HB2 H 2.49038 . . 284 289 34 ASP HB3 H 2.98388 . . 285 289 34 ASP C C 174.68254 . . 286 289 34 ASP CA C 55.12065 . . 287 289 34 ASP CB C 40.41934 . . 288 289 34 ASP N N 121.87403 . . 289 290 35 ALA H H 8.10989 . . 290 290 35 ALA HA H 4.60313 . . 291 290 35 ALA HB H 1.42990 . . 292 290 35 ALA C C 177.05330 . . 293 290 35 ALA CA C 51.26662 . . 294 290 35 ALA CB C 22.65423 . . 295 290 35 ALA N N 120.87950 . . 296 291 36 ASP H H 8.21837 . . 297 291 36 ASP HA H 4.47583 . . 298 291 36 ASP HB2 H 2.60950 . . 299 291 36 ASP HB3 H 2.73238 . . 300 291 36 ASP C C 175.39658 . . 301 291 36 ASP CA C 53.77494 . . 302 291 36 ASP CB C 40.66766 . . 303 291 36 ASP N N 116.11814 . . 304 292 37 ARG H H 7.29535 . . 305 292 37 ARG HA H 4.78542 . . 306 292 37 ARG HB2 H 1.60210 . . 307 292 37 ARG HB3 H 1.89901 . . 308 292 37 ARG HG2 H 1.55141 . . 309 292 37 ARG HG3 H 1.56184 . . 310 292 37 ARG HD2 H 3.11087 . . 311 292 37 ARG CA C 53.15561 . . 312 292 37 ARG CB C 31.20656 . . 313 292 37 ARG CG C 26.39617 . . 314 292 37 ARG N N 116.83373 . . 315 293 38 PRO HA H 4.68496 . . 316 293 38 PRO C C 174.91259 . . 317 293 38 PRO CA C 62.02234 . . 318 293 38 PRO CB C 32.05525 . . 319 293 38 PRO CG C 27.20661 . . 320 294 39 CYS H H 8.18857 . . 321 294 39 CYS HA H 4.60207 . . 322 294 39 CYS HB2 H 2.84654 . . 323 294 39 CYS HB3 H 3.33824 . . 324 294 39 CYS C C 177.04125 . . 325 294 39 CYS CA C 59.36577 . . 326 294 39 CYS CB C 29.37448 . . 327 294 39 CYS N N 121.80812 . . 328 295 40 ARG H H 8.16947 . . 329 295 40 ARG HA H 4.43078 . . 330 295 40 ARG HB2 H 1.68620 . . 331 295 40 ARG HB3 H 2.08256 . . 332 295 40 ARG HG2 H 1.67575 . . 333 295 40 ARG HG3 H 1.67575 . . 334 295 40 ARG HD2 H 3.25548 . . 335 295 40 ARG HD3 H 3.40807 . . 336 295 40 ARG C C 177.00771 . . 337 295 40 ARG CA C 56.40271 . . 338 295 40 ARG CB C 29.86461 . . 339 295 40 ARG CG C 27.28772 . . 340 295 40 ARG CD C 43.39210 . . 341 295 40 ARG N N 116.15293 . . 342 296 41 LYS H H 8.59558 . . 343 296 41 LYS HA H 4.19879 . . 344 296 41 LYS HB2 H 1.43280 . . 345 296 41 LYS HB3 H 1.43280 . . 346 296 41 LYS HG2 H 1.30372 . . 347 296 41 LYS HG3 H 1.30372 . . 348 296 41 LYS C C 173.83869 . . 349 296 41 LYS CA C 56.32251 . . 350 296 41 LYS CB C 33.98812 . . 351 296 41 LYS CG C 26.51546 . . 352 296 41 LYS CD C 30.43933 . . 353 296 41 LYS N N 122.87686 . . 354 297 42 LEU H H 7.82313 . . 355 297 42 LEU HA H 4.14324 . . 356 297 42 LEU HB2 H 1.32172 . . 357 297 42 LEU HD1 H 0.28845 . . 358 297 42 LEU HD2 H 0.62970 . . 359 297 42 LEU C C 176.08942 . . 360 297 42 LEU CA C 55.80448 . . 361 297 42 LEU CB C 42.73615 . . 362 297 42 LEU CD1 C 23.25492 . . 363 297 42 LEU CD2 C 25.88183 . . 364 297 42 LEU N N 115.70866 . . 365 298 43 HIS H H 7.85560 . . 366 298 43 HIS HA H 4.97667 . . 367 298 43 HIS HB2 H 2.67846 . . 368 298 43 HIS HB3 H 2.67846 . . 369 298 43 HIS C C 173.69022 . . 370 298 43 HIS CA C 55.41364 . . 371 298 43 HIS CB C 32.42402 . . 372 298 43 HIS N N 117.00069 . . 373 299 44 PHE H H 8.26077 . . 374 299 44 PHE HA H 5.63132 . . 375 299 44 PHE HB2 H 2.45496 . . 376 299 44 PHE HB3 H 3.00413 . . 377 299 44 PHE HD1 H 6.76670 . . 378 299 44 PHE HD2 H 6.76670 . . 379 299 44 PHE C C 175.01433 . . 380 299 44 PHE CA C 55.64214 . . 381 299 44 PHE CB C 43.19776 . . 382 299 44 PHE N N 116.20139 . . 383 300 45 ARG H H 9.50257 . . 384 300 45 ARG HA H 5.00685 . . 385 300 45 ARG HB2 H 1.86880 . . 386 300 45 ARG HB3 H 1.86880 . . 387 300 45 ARG HG2 H 1.58394 . . 388 300 45 ARG HG3 H 1.58604 . . 389 300 45 ARG HD2 H 3.21547 . . 390 300 45 ARG C C 174.41107 . . 391 300 45 ARG CA C 54.62357 . . 392 300 45 ARG CB C 34.13616 . . 393 300 45 ARG CG C 27.72479 . . 394 300 45 ARG CD C 43.53247 . . 395 300 45 ARG N N 118.86185 . . 396 301 46 ARG H H 9.06014 . . 397 301 46 ARG HA H 4.16128 . . 398 301 46 ARG HB2 H 1.62750 . . 399 301 46 ARG HB3 H 1.73911 . . 400 301 46 ARG HG2 H 1.24795 . . 401 301 46 ARG HG3 H 1.58924 . . 402 301 46 ARG HD2 H 3.25268 . . 403 301 46 ARG C C 175.28349 . . 404 301 46 ARG CA C 56.20446 . . 405 301 46 ARG CB C 32.25078 . . 406 301 46 ARG CG C 28.05128 . . 407 301 46 ARG CD C 43.98279 . . 408 301 46 ARG N N 125.33977 . . 409 302 47 ILE H H 8.56745 . . 410 302 47 ILE HA H 4.15436 . . 411 302 47 ILE HB H 1.50524 . . 412 302 47 ILE HG12 H 1.02233 . . 413 302 47 ILE HG13 H 1.30771 . . 414 302 47 ILE HG2 H 0.74154 . . 415 302 47 ILE HD1 H 0.67867 . . 416 302 47 ILE C C 174.73000 . . 417 302 47 ILE CA C 60.04196 . . 418 302 47 ILE CB C 38.82780 . . 419 302 47 ILE CG1 C 26.63176 . . 420 302 47 ILE CG2 C 17.42282 . . 421 302 47 ILE CD1 C 12.66190 . . 422 302 47 ILE N N 126.43474 . . 423 303 48 ILE H H 8.57590 . . 424 303 48 ILE HA H 4.13863 . . 425 303 48 ILE HB H 1.95345 . . 426 303 48 ILE HG12 H 1.27536 . . 427 303 48 ILE HG2 H 0.82077 . . 428 303 48 ILE HD1 H 0.71693 . . 429 303 48 ILE C C 175.26270 . . 430 303 48 ILE CA C 59.14480 . . 431 303 48 ILE CB C 38.03551 . . 432 303 48 ILE CG1 C 28.59935 . . 433 303 48 ILE CG2 C 17.85067 . . 434 303 48 ILE CD1 C 12.14107 . . 435 303 48 ILE N N 129.45685 . . 436 304 49 ASN H H 8.56788 . . 437 304 49 ASN HA H 5.15645 . . 438 304 49 ASN HB2 H 2.35027 . . 439 304 49 ASN HB3 H 2.97658 . . 440 304 49 ASN HD22 H 7.12069 . . 441 304 49 ASN C C 175.16273 . . 442 304 49 ASN CA C 51.76846 . . 443 304 49 ASN CB C 42.19209 . . 444 304 49 ASN N N 125.00770 . . 445 305 50 LYS H H 8.56964 . . 446 305 50 LYS CA C 56.28699 . . 447 305 50 LYS CB C 32.02299 . . 448 305 50 LYS N N 127.00853 . . 449 306 51 HIS HA H 4.68535 . . 450 306 51 HIS HB2 H 2.83606 . . 451 306 51 HIS C C 175.12321 . . 452 306 51 HIS CA C 55.51906 . . 453 306 51 HIS CB C 30.46217 . . 454 307 52 THR H H 7.17450 . . 455 307 52 THR HA H 3.73839 . . 456 307 52 THR HB H 3.96157 . . 457 307 52 THR HG2 H 1.01920 . . 458 307 52 THR C C 173.47229 . . 459 307 52 THR CA C 63.81204 . . 460 307 52 THR CB C 68.73219 . . 461 307 52 THR CG2 C 23.29433 . . 462 307 52 THR N N 120.28319 . . 463 308 53 ASP H H 9.44006 . . 464 308 53 ASP HA H 4.84448 . . 465 308 53 ASP HB2 H 2.38538 . . 466 308 53 ASP HB3 H 2.85985 . . 467 308 53 ASP C C 175.63234 . . 468 308 53 ASP CA C 51.65156 . . 469 308 53 ASP CB C 41.10282 . . 470 308 53 ASP N N 128.22511 . . 471 309 54 GLU H H 8.93635 . . 472 309 54 GLU HA H 3.62506 . . 473 309 54 GLU HB2 H 1.90859 . . 474 309 54 GLU HB3 H 2.04085 . . 475 309 54 GLU HG2 H 2.04813 . . 476 309 54 GLU HG3 H 2.21210 . . 477 309 54 GLU C C 178.55544 . . 478 309 54 GLU CA C 59.46562 . . 479 309 54 GLU CB C 30.19859 . . 480 309 54 GLU CG C 38.45538 . . 481 309 54 GLU N N 121.68368 . . 482 310 55 SER H H 8.32937 . . 483 310 55 SER HA H 4.15464 . . 484 310 55 SER HB2 H 3.87727 . . 485 310 55 SER HB3 H 3.87727 . . 486 310 55 SER C C 175.86623 . . 487 310 55 SER CA C 61.06046 . . 488 310 55 SER CB C 62.99407 . . 489 310 55 SER N N 115.96723 . . 490 311 56 LEU H H 7.70945 . . 491 311 56 LEU HA H 4.00139 . . 492 311 56 LEU HB2 H 1.01238 . . 493 311 56 LEU HB3 H 1.46646 . . 494 311 56 LEU HD1 H 0.32679 . . 495 311 56 LEU HD2 H 0.58106 . . 496 311 56 LEU C C 178.47585 . . 497 311 56 LEU CA C 55.44964 . . 498 311 56 LEU CB C 41.93357 . . 499 311 56 LEU CD1 C 21.66829 . . 500 311 56 LEU CD2 C 26.06617 . . 501 311 56 LEU N N 121.70383 . . 502 312 57 GLY H H 7.22672 . . 503 312 57 GLY HA2 H 3.75533 . . 504 312 57 GLY HA3 H 4.22405 . . 505 312 57 GLY C C 172.59212 . . 506 312 57 GLY CA C 44.22571 . . 507 312 57 GLY N N 107.07300 . . 508 313 58 ASP H H 8.43380 . . 509 313 58 ASP HA H 4.64889 . . 510 313 58 ASP HB2 H 2.36355 . . 511 313 58 ASP HB3 H 2.42038 . . 512 313 58 ASP C C 176.53593 . . 513 313 58 ASP CA C 54.81831 . . 514 313 58 ASP CB C 41.93813 . . 515 313 58 ASP N N 119.68006 . . 516 314 59 CYS H H 9.29527 . . 517 314 59 CYS HA H 4.33894 . . 518 314 59 CYS HB2 H 1.96605 . . 519 314 59 CYS HB3 H 2.52684 . . 520 314 59 CYS C C 177.94423 . . 521 314 59 CYS CA C 61.18894 . . 522 314 59 CYS CB C 30.27963 . . 523 314 59 CYS N N 126.41509 . . 524 315 60 SER H H 8.35180 . . 525 315 60 SER HA H 4.15993 . . 526 315 60 SER C C 174.93186 . . 527 315 60 SER CA C 61.63170 . . 528 315 60 SER CB C 62.64569 . . 529 315 60 SER N N 127.15701 . . 530 316 61 PHE H H 8.60462 . . 531 316 61 PHE HA H 4.34950 . . 532 316 61 PHE HB2 H 3.07914 . . 533 316 61 PHE HB3 H 3.42009 . . 534 316 61 PHE HD1 H 7.34504 . . 535 316 61 PHE HD2 H 7.34504 . . 536 316 61 PHE C C 177.00361 . . 537 316 61 PHE CA C 58.72967 . . 538 316 61 PHE CB C 38.36070 . . 539 316 61 PHE N N 120.12074 . . 540 317 62 LEU H H 7.72049 . . 541 317 62 LEU HA H 3.90381 . . 542 317 62 LEU HB2 H 1.42456 . . 543 317 62 LEU HB3 H 1.70665 . . 544 317 62 LEU HG H 1.20530 . . 545 317 62 LEU HD1 H 0.22430 . . 546 317 62 LEU HD2 H 0.24419 . . 547 317 62 LEU C C 174.11660 . . 548 317 62 LEU CA C 59.69403 . . 549 317 62 LEU CB C 41.30125 . . 550 317 62 LEU CG C 27.27727 . . 551 317 62 LEU CD1 C 24.16194 . . 552 317 62 LEU CD2 C 24.90235 . . 553 317 62 LEU N N 117.52764 . . 554 318 63 ASN H H 9.03620 . . 555 318 63 ASN HA H 5.52123 . . 556 318 63 ASN HB2 H 2.51756 . . 557 318 63 ASN HB3 H 3.33901 . . 558 318 63 ASN C C 175.77686 . . 559 318 63 ASN CA C 54.26094 . . 560 318 63 ASN CB C 39.69904 . . 561 318 63 ASN N N 119.99566 . . 562 319 64 THR H H 8.17487 . . 563 319 64 THR HA H 4.57611 . . 564 319 64 THR HB H 4.49614 . . 565 319 64 THR HG2 H 1.15271 . . 566 319 64 THR C C 173.53840 . . 567 319 64 THR CA C 60.28448 . . 568 319 64 THR CB C 69.06565 . . 569 319 64 THR CG2 C 21.54333 . . 570 319 64 THR N N 112.25326 . . 571 320 65 CYS H H 7.94116 . . 572 320 65 CYS HA H 3.64149 . . 573 320 65 CYS HB2 H 2.64991 . . 574 320 65 CYS HB3 H 3.28308 . . 575 320 65 CYS C C 176.60622 . . 576 320 65 CYS CA C 61.70686 . . 577 320 65 CYS CB C 30.70572 . . 578 320 65 CYS N N 125.25996 . . 579 321 66 PHE H H 8.02198 . . 580 321 66 PHE HA H 4.47893 . . 581 321 66 PHE HB2 H 2.74213 . . 582 321 66 PHE HB3 H 2.85072 . . 583 321 66 PHE HD1 H 6.96374 . . 584 321 66 PHE HD2 H 6.96374 . . 585 321 66 PHE C C 175.14807 . . 586 321 66 PHE CA C 57.72118 . . 587 321 66 PHE CB C 38.87397 . . 588 321 66 PHE N N 127.05507 . . 589 322 67 HIS H H 8.21613 . . 590 322 67 HIS HA H 5.05291 . . 591 322 67 HIS HB2 H 2.81935 . . 592 322 67 HIS HB3 H 3.36811 . . 593 322 67 HIS C C 175.40374 . . 594 322 67 HIS CA C 53.62191 . . 595 322 67 HIS CB C 29.69789 . . 596 322 67 HIS N N 120.26950 . . 597 323 68 MET H H 8.45022 . . 598 323 68 MET HA H 3.74991 . . 599 323 68 MET HB2 H 1.85823 . . 600 323 68 MET HG2 H 2.24704 . . 601 323 68 MET C C 176.37356 . . 602 323 68 MET CA C 60.31398 . . 603 323 68 MET CB C 32.78826 . . 604 323 68 MET N N 121.05820 . . 605 324 69 ASP H H 8.88392 . . 606 324 69 ASP HA H 4.30678 . . 607 324 69 ASP HB2 H 2.55338 . . 608 324 69 ASP HB3 H 2.64211 . . 609 324 69 ASP C C 176.12960 . . 610 324 69 ASP CA C 55.78406 . . 611 324 69 ASP CB C 39.83503 . . 612 324 69 ASP N N 115.35517 . . 613 325 70 THR H H 7.54039 . . 614 325 70 THR HA H 4.07638 . . 615 325 70 THR HB H 4.16398 . . 616 325 70 THR HG2 H 1.00293 . . 617 325 70 THR C C 174.21499 . . 618 325 70 THR CA C 61.66623 . . 619 325 70 THR CB C 70.79090 . . 620 325 70 THR CG2 C 21.91770 . . 621 325 70 THR N N 107.49853 . . 622 326 71 CYS H H 8.74443 . . 623 326 71 CYS HA H 4.28089 . . 624 326 71 CYS HB2 H 2.72651 . . 625 326 71 CYS HB3 H 2.91178 . . 626 326 71 CYS C C 177.30833 . . 627 326 71 CYS CA C 60.98021 . . 628 326 71 CYS CB C 31.61100 . . 629 326 71 CYS N N 127.93373 . . 630 327 72 LYS H H 9.31786 . . 631 327 72 LYS HA H 4.24601 . . 632 327 72 LYS HB2 H 2.07878 . . 633 327 72 LYS HB3 H 2.07878 . . 634 327 72 LYS HG2 H 1.47145 . . 635 327 72 LYS HG3 H 1.47145 . . 636 327 72 LYS HD2 H 1.78472 . . 637 327 72 LYS HD3 H 1.78472 . . 638 327 72 LYS HE2 H 2.79581 . . 639 327 72 LYS HE3 H 2.79581 . . 640 327 72 LYS C C 174.72554 . . 641 327 72 LYS CA C 58.29484 . . 642 327 72 LYS CB C 33.98522 . . 643 327 72 LYS CG C 25.35517 . . 644 327 72 LYS CD C 29.53563 . . 645 327 72 LYS N N 129.38516 . . 646 328 73 TYR H H 8.38865 . . 647 328 73 TYR HA H 4.21449 . . 648 328 73 TYR HB2 H 2.67738 . . 649 328 73 TYR HB3 H 2.84704 . . 650 328 73 TYR HD1 H 7.27540 . . 651 328 73 TYR HD2 H 7.27540 . . 652 328 73 TYR HE1 H 6.85753 . . 653 328 73 TYR HE2 H 6.85753 . . 654 328 73 TYR C C 174.76993 . . 655 328 73 TYR CA C 58.70995 . . 656 328 73 TYR CB C 38.46772 . . 657 328 73 TYR CD1 C 134.35734 . . 658 328 73 TYR CD2 C 134.35734 . . 659 328 73 TYR CE1 C 118.71084 . . 660 328 73 TYR CE2 C 118.71084 . . 661 328 73 TYR N N 118.43576 . . 662 329 74 VAL H H 8.62773 . . 663 329 74 VAL HA H 3.46673 . . 664 329 74 VAL HB H 2.00796 . . 665 329 74 VAL HG1 H 0.67008 . . 666 329 74 VAL HG2 H 0.80374 . . 667 329 74 VAL C C 175.41838 . . 668 329 74 VAL CA C 65.74506 . . 669 329 74 VAL CB C 31.85052 . . 670 329 74 VAL CG1 C 22.08300 . . 671 329 74 VAL CG2 C 22.62712 . . 672 329 74 VAL N N 119.80803 . . 673 330 75 HIS H H 6.99432 . . 674 330 75 HIS HA H 5.08215 . . 675 330 75 HIS HB2 H 2.71439 . . 676 330 75 HIS HB3 H 3.48681 . . 677 330 75 HIS C C 171.65166 . . 678 330 75 HIS CA C 56.45357 . . 679 330 75 HIS CB C 32.23390 . . 680 330 75 HIS N N 121.63797 . . 681 331 76 TYR H H 7.34663 . . 682 331 76 TYR HA H 5.48424 . . 683 331 76 TYR HB2 H 2.27524 . . 684 331 76 TYR HB3 H 2.90419 . . 685 331 76 TYR HD1 H 6.91086 . . 686 331 76 TYR HD2 H 6.91086 . . 687 331 76 TYR HE1 H 6.69620 . . 688 331 76 TYR HE2 H 6.69620 . . 689 331 76 TYR C C 174.68839 . . 690 331 76 TYR CA C 56.74895 . . 691 331 76 TYR CB C 45.06828 . . 692 331 76 TYR N N 114.87573 . . 693 332 77 GLU H H 8.92913 . . 694 332 77 GLU HA H 4.99379 . . 695 332 77 GLU HB2 H 2.05822 . . 696 332 77 GLU HB3 H 2.05825 . . 697 332 77 GLU HG2 H 2.29590 . . 698 332 77 GLU HG3 H 2.29590 . . 699 332 77 GLU C C 175.34380 . . 700 332 77 GLU CA C 54.40207 . . 701 332 77 GLU CB C 34.04049 . . 702 332 77 GLU CG C 35.97270 . . 703 332 77 GLU N N 117.50274 . . 704 333 78 ILE H H 9.02774 . . 705 333 78 ILE HA H 4.12088 . . 706 333 78 ILE HB H 1.85451 . . 707 333 78 ILE HG12 H 1.66454 . . 708 333 78 ILE HG13 H 1.66988 . . 709 333 78 ILE HG2 H 0.92565 . . 710 333 78 ILE HD1 H 0.85621 . . 711 333 78 ILE C C 175.25969 . . 712 333 78 ILE CA C 62.62463 . . 713 333 78 ILE CB C 38.23924 . . 714 333 78 ILE CG1 C 29.14122 . . 715 333 78 ILE CG2 C 18.43131 . . 716 333 78 ILE CD1 C 13.13369 . . 717 333 78 ILE N N 123.85262 . . 718 334 79 ASP H H 8.97886 . . 719 334 79 ASP HA H 4.73531 . . 720 334 79 ASP HB2 H 2.23019 . . 721 334 79 ASP HB3 H 2.70959 . . 722 334 79 ASP C C 174.95549 . . 723 334 79 ASP CA C 52.94288 . . 724 334 79 ASP CB C 41.87022 . . 725 334 79 ASP N N 129.40609 . . 726 335 80 ALA H H 8.39743 . . 727 335 80 ALA HA H 4.39421 . . 728 335 80 ALA HB H 1.35736 . . 729 335 80 ALA C C 177.09217 . . 730 335 80 ALA CA C 52.00826 . . 731 335 80 ALA CB C 20.25891 . . 732 335 80 ALA N N 126.78763 . . 733 336 81 SER H H 8.53043 . . 734 336 81 SER HA H 4.40643 . . 735 336 81 SER HB3 H 2.90907 . . 736 336 81 SER C C 174.90047 . . 737 336 81 SER CA C 59.00268 . . 738 336 81 SER N N 119.60944 . . 739 337 82 MET H H 8.66061 . . 740 337 82 MET HA H 4.50530 . . 741 337 82 MET C C 175.86622 . . 742 337 82 MET CA C 55.39613 . . 743 337 82 MET CB C 32.95361 . . 744 337 82 MET N N 124.11192 . . 745 338 83 ASP H H 8.33428 . . 746 338 83 ASP HA H 4.56373 . . 747 338 83 ASP HB2 H 2.63946 . . 748 338 83 ASP HB3 H 2.63946 . . 749 338 83 ASP C C 176.28280 . . 750 338 83 ASP CA C 54.62882 . . 751 338 83 ASP CB C 41.21127 . . 752 338 83 ASP N N 121.99012 . . 753 339 84 SER H H 8.22980 . . 754 339 84 SER HA H 4.33679 . . 755 339 84 SER HB2 H 3.87939 . . 756 339 84 SER C C 174.39117 . . 757 339 84 SER CA C 58.66033 . . 758 339 84 SER CB C 63.90244 . . 759 339 84 SER N N 115.98476 . . 760 340 85 GLU H H 8.30714 . . 761 340 85 GLU HA H 4.27073 . . 762 340 85 GLU HB2 H 1.91737 . . 763 340 85 GLU HB3 H 2.03544 . . 764 340 85 GLU HG2 H 2.21682 . . 765 340 85 GLU C C 175.83773 . . 766 340 85 GLU CA C 56.14963 . . 767 340 85 GLU CB C 30.31249 . . 768 340 85 GLU CG C 36.30513 . . 769 340 85 GLU N N 122.14804 . . 770 341 86 ALA H H 8.22525 . . 771 341 86 ALA HA H 4.53763 . . 772 341 86 ALA HB H 1.32923 . . 773 341 86 ALA CA C 50.65670 . . 774 341 86 ALA CB C 18.29206 . . 775 341 86 ALA N N 126.29105 . . 776 342 87 PRO HA H 4.40522 . . 777 342 87 PRO HB2 H 2.24324 . . 778 342 87 PRO HB3 H 2.24324 . . 779 342 87 PRO HG2 H 1.98174 . . 780 342 87 PRO HG3 H 1.98174 . . 781 342 87 PRO HD2 H 3.66597 . . 782 342 87 PRO HD3 H 3.67058 . . 783 342 87 PRO C C 177.71328 . . 784 342 87 PRO CA C 63.58925 . . 785 342 87 PRO CB C 31.85880 . . 786 343 88 GLY H H 8.49449 . . 787 343 88 GLY HA2 H 3.95581 . . 788 343 88 GLY HA3 H 3.95974 . . 789 343 88 GLY C C 174.46039 . . 790 343 88 GLY CA C 45.25513 . . 791 343 88 GLY N N 109.45085 . . 792 344 89 SER H H 8.11415 . . 793 344 89 SER HA H 4.36957 . . 794 344 89 SER HB2 H 3.92370 . . 795 344 89 SER HB3 H 3.92370 . . 796 344 89 SER C C 174.93189 . . 797 344 89 SER CA C 58.68919 . . 798 344 89 SER CB C 63.93360 . . 799 344 89 SER N N 115.60023 . . 800 345 90 LYS H H 8.35973 . . 801 345 90 LYS HA H 4.31203 . . 802 345 90 LYS C C 176.20978 . . 803 345 90 LYS CA C 56.26964 . . 804 345 90 LYS CB C 32.83881 . . 805 345 90 LYS CG C 24.64302 . . 806 345 90 LYS CD C 29.06202 . . 807 345 90 LYS N N 122.78726 . . 808 346 91 ASP H H 8.15739 . . 809 346 91 ASP HA H 4.50310 . . 810 346 91 ASP HB2 H 2.58466 . . 811 346 91 ASP C C 175.82207 . . 812 346 91 ASP CA C 54.43629 . . 813 346 91 ASP CB C 41.14774 . . 814 346 91 ASP N N 120.61517 . . 815 347 92 HIS H H 8.21497 . . 816 347 92 HIS HA H 4.65684 . . 817 347 92 HIS HB2 H 3.07053 . . 818 347 92 HIS HB3 H 3.14785 . . 819 347 92 HIS C C 174.86480 . . 820 347 92 HIS CA C 55.75339 . . 821 347 92 HIS CB C 30.54606 . . 822 347 92 HIS N N 119.48320 . . 823 348 93 THR H H 8.18145 . . 824 348 93 THR HA H 4.50847 . . 825 348 93 THR CA C 60.20076 . . 826 348 93 THR CB C 69.68277 . . 827 348 93 THR N N 118.88829 . . 828 349 94 PRO HA H 4.43389 . . 829 349 94 PRO HB2 H 2.31441 . . 830 349 94 PRO HG2 H 1.96492 . . 831 349 94 PRO HD2 H 3.73375 . . 832 349 94 PRO C C 177.03770 . . 833 349 94 PRO CA C 63.39803 . . 834 349 94 PRO CB C 32.11683 . . 835 349 94 PRO CG C 27.53156 . . 836 349 94 PRO CD C 51.09803 . . 837 350 95 SER H H 8.38729 . . 838 350 95 SER HA H 4.35065 . . 839 350 95 SER C C 174.91971 . . 840 350 95 SER CA C 58.67305 . . 841 350 95 SER CB C 63.64143 . . 842 350 95 SER N N 116.15181 . . 843 351 96 GLN H H 8.41407 . . 844 351 96 GLN HA H 4.31753 . . 845 351 96 GLN C C 176.00549 . . 846 351 96 GLN CA C 56.15629 . . 847 351 96 GLN CB C 29.48992 . . 848 351 96 GLN CG C 33.91029 . . 849 351 96 GLN N N 122.34210 . . 850 352 97 GLU H H 8.35241 . . 851 352 97 GLU HA H 4.22076 . . 852 352 97 GLU HB2 H 1.96713 . . 853 352 97 GLU C C 176.52767 . . 854 352 97 GLU CA C 56.78507 . . 855 352 97 GLU CB C 30.02099 . . 856 352 97 GLU CG C 36.22909 . . 857 352 97 GLU N N 121.75820 . . 858 353 98 LEU H H 8.11484 . . 859 353 98 LEU HA H 4.28109 . . 860 353 98 LEU HB2 H 1.57430 . . 861 353 98 LEU C C 177.02186 . . 862 353 98 LEU CA C 55.19835 . . 863 353 98 LEU CB C 42.34444 . . 864 353 98 LEU CG C 26.97991 . . 865 353 98 LEU CD1 C 23.52307 . . 866 353 98 LEU CD2 C 24.92506 . . 867 353 98 LEU N N 123.09927 . . 868 354 99 ALA H H 8.16830 . . 869 354 99 ALA HA H 4.28867 . . 870 354 99 ALA HB H 1.37358 . . 871 354 99 ALA C C 177.48484 . . 872 354 99 ALA CA C 52.36202 . . 873 354 99 ALA CB C 19.13599 . . 874 354 99 ALA N N 124.58362 . . 875 355 100 LEU H H 8.11700 . . 876 355 100 LEU HA H 4.39621 . . 877 355 100 LEU HB2 H 1.44977 . . 878 355 100 LEU C C 177.58861 . . 879 355 100 LEU CA C 55.17628 . . 880 355 100 LEU CB C 42.34047 . . 881 355 100 LEU CG C 27.02183 . . 882 355 100 LEU CD1 C 23.34256 . . 883 355 100 LEU CD2 C 25.05369 . . 884 355 100 LEU N N 121.20224 . . 885 356 101 THR H H 8.04693 . . 886 356 101 THR HA H 4.32754 . . 887 356 101 THR HB H 4.09697 . . 888 356 101 THR HG2 H 1.18890 . . 889 356 101 THR C C 173.61971 . . 890 356 101 THR CA C 61.66896 . . 891 356 101 THR CB C 70.05261 . . 892 356 101 THR CG2 C 21.58966 . . 893 356 101 THR N N 114.68794 . . 894 357 102 GLN H H 7.92986 . . 895 357 102 GLN HA H 4.16388 . . 896 357 102 GLN CA C 57.39758 . . 897 357 102 GLN N N 127.41983 . . stop_ save_