data_15602 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N chemical shift assignments of human PARP-1 domain C ; _BMRB_accession_number 15602 _BMRB_flat_file_name bmr15602.str _Entry_type original _Submission_date 2007-12-20 _Accession_date 2007-12-20 _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 Hoffman David W. . 2 Tao Zhihua . . 3 Liu Hung-wen . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 693 "13C chemical shifts" 446 "15N chemical shifts" 141 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-07-07 update BMRB 'complete entry citation' 2008-05-05 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Domain C of Human Poly(ADP-ribose) Polymerase-1 is Important for Enzyme Activity and Contains a Novel Zinc-ribbon Motif' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18452307 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tao Zhihua . . 2 Gao Peng . . 3 Hoffman David W. . 4 Liu Hung-wen . . stop_ _Journal_abbreviation Biochemistry _Journal_volume 47 _Journal_issue 21 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 5804 _Page_last 5813 _Year 2008 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'domain C of human PARP-1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'domain C polypeptide' $domain_C_of_human_PARP-1 zinc $ZN 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_domain_C_of_human_PARP-1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common domain_C_of_human_PARP-1 _Molecular_mass . _Mol_thiol_state 'free and other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 144 _Mol_residue_sequence ; GHMKLEKALKAQNDLIWNIK DELKKVCSTNDLKELLIFNK QQVPSGESAILDRVADGMVF GALLPCEECSGQLVFKSDAY YCTGDVTAWTKCMVKTQTPN RKEWVTPKEFREISYLKKLK VKKQDRIFPPETSASVAATP PPST ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 230 GLY 2 231 HIS 3 232 MET 4 233 LYS 5 234 LEU 6 235 GLU 7 236 LYS 8 237 ALA 9 238 LEU 10 239 LYS 11 240 ALA 12 241 GLN 13 242 ASN 14 243 ASP 15 244 LEU 16 245 ILE 17 246 TRP 18 247 ASN 19 248 ILE 20 249 LYS 21 250 ASP 22 251 GLU 23 252 LEU 24 253 LYS 25 254 LYS 26 255 VAL 27 256 CYS 28 257 SER 29 258 THR 30 259 ASN 31 260 ASP 32 261 LEU 33 262 LYS 34 263 GLU 35 264 LEU 36 265 LEU 37 266 ILE 38 267 PHE 39 268 ASN 40 269 LYS 41 270 GLN 42 271 GLN 43 272 VAL 44 273 PRO 45 274 SER 46 275 GLY 47 276 GLU 48 277 SER 49 278 ALA 50 279 ILE 51 280 LEU 52 281 ASP 53 282 ARG 54 283 VAL 55 284 ALA 56 285 ASP 57 286 GLY 58 287 MET 59 288 VAL 60 289 PHE 61 290 GLY 62 291 ALA 63 292 LEU 64 293 LEU 65 294 PRO 66 295 CYS 67 296 GLU 68 297 GLU 69 298 CYS 70 299 SER 71 300 GLY 72 301 GLN 73 302 LEU 74 303 VAL 75 304 PHE 76 305 LYS 77 306 SER 78 307 ASP 79 308 ALA 80 309 TYR 81 310 TYR 82 311 CYS 83 312 THR 84 313 GLY 85 314 ASP 86 315 VAL 87 316 THR 88 317 ALA 89 318 TRP 90 319 THR 91 320 LYS 92 321 CYS 93 322 MET 94 323 VAL 95 324 LYS 96 325 THR 97 326 GLN 98 327 THR 99 328 PRO 100 329 ASN 101 330 ARG 102 331 LYS 103 332 GLU 104 333 TRP 105 334 VAL 106 335 THR 107 336 PRO 108 337 LYS 109 338 GLU 110 339 PHE 111 340 ARG 112 341 GLU 113 342 ILE 114 343 SER 115 344 TYR 116 345 LEU 117 346 LYS 118 347 LYS 119 348 LEU 120 349 LYS 121 350 VAL 122 351 LYS 123 352 LYS 124 353 GLN 125 354 ASP 126 355 ARG 127 356 ILE 128 357 PHE 129 358 PRO 130 359 PRO 131 360 GLU 132 361 THR 133 362 SER 134 363 ALA 135 364 SER 136 365 VAL 137 366 ALA 138 367 ALA 139 368 THR 140 369 PRO 141 370 PRO 142 371 PRO 143 372 SER 144 373 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-13 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 2JVN "Domain C Of Human Parp-1" 87.50 126 100.00 100.00 2.53e-86 PDB 2RIQ "Crystal Structure Of The Third Zinc-Binding Domain Of Human Parp-1" 93.06 160 100.00 100.00 5.94e-93 PDB 4DQY "Structure Of Human Parp-1 Bound To A Dna Double Strand Break" 93.06 160 100.00 100.00 5.94e-93 PDB 4OPX "Structure Of Human Parp-1 Bound To A Dna Double Strand Break In Complex With (2r)-5-fluoro-2-methyl-2,3-dihydro-1-benzofuran-7-" 93.06 267 100.00 100.00 3.91e-91 PDB 4OQA "Structure Of Human Parp-1 Bound To A Dna Double Strand Break In Complex With (2z)-2-(2,4-dihydroxybenzylidene)-3-oxo-2,3-dihydr" 93.06 267 100.00 100.00 3.91e-91 PDB 4OQB "Structure Of Human Parp-1 Bound To A Dna Double Strand Break In Complex With (2z)-2-{4-[2-(morpholin-4-yl)ethoxy]benzylidene}-3" 93.06 267 100.00 100.00 3.91e-91 DBJ BAG10250 "poly [ADP-ribose] polymerase-1 [synthetic construct]" 97.92 1014 100.00 100.00 8.53e-91 DBJ BAG35260 "unnamed protein product [Homo sapiens]" 97.92 1014 100.00 100.00 6.81e-91 DBJ BAG64403 "unnamed protein product [Homo sapiens]" 97.92 993 100.00 100.00 6.84e-91 GB AAA51663 "NAD+ ADP-ribosyltransferase [Homo sapiens]" 97.92 1014 100.00 100.00 8.02e-91 GB AAA60137 "poly(ADP-ribose) polymerase [Homo sapiens]" 97.92 1014 100.00 100.00 8.02e-91 GB AAA60155 "poly(ADP-ribose) polymerase [Homo sapiens]" 97.92 1014 100.00 100.00 5.78e-91 GB AAB59447 "poly(ADP-ribose) synthetase [Homo sapiens]" 97.92 1014 100.00 100.00 7.62e-91 GB AAH37545 "Poly (ADP-ribose) polymerase 1 [Homo sapiens]" 97.92 1014 100.00 100.00 7.86e-91 REF NP_001609 "poly [ADP-ribose] polymerase 1 [Homo sapiens]" 97.92 1014 100.00 100.00 8.02e-91 REF XP_001090628 "PREDICTED: poly [ADP-ribose] polymerase 1 isoform 1 [Macaca mulatta]" 97.92 993 97.16 97.87 4.16e-88 REF XP_001090984 "PREDICTED: poly [ADP-ribose] polymerase 1 isoform 4 [Macaca mulatta]" 97.92 1014 97.16 97.87 3.88e-88 REF XP_002809428 "PREDICTED: poly [ADP-ribose] polymerase 1 [Pongo abelii]" 97.92 972 99.29 99.29 4.50e-90 REF XP_003357689 "PREDICTED: poly [ADP-ribose] polymerase 1 [Sus scrofa]" 87.50 1018 97.62 99.21 3.96e-79 SP P09874 "RecName: Full=Poly [ADP-ribose] polymerase 1; Short=PARP-1; AltName: Full=ADP-ribosyltransferase diphtheria toxin-like 1; Short" 97.92 1014 100.00 100.00 8.02e-91 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 21 03:50:37 2007 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN N 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 $domain_C_of_human_PARP-1 Human 9606 Eukaryota Metazoa Homo sapiens 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 $domain_C_of_human_PARP-1 'recombinant technology' . Escherichia coli BL21-CodonPlus(DE3)-RP pMALE 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 $domain_C_of_human_PARP-1 1 mM '[U-13C; U-15N]' 'sodium phosphate buffer' 10 mM . NaCl 250 mM . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'display NMR spectrum' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HACACBCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HACACBCO' _Sample_label $sample_1 save_ save_3D_TOCSY-HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TOCSY-HSQC' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_2D_DQF-COSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $sample_1 save_ save_2D_TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _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' 260 . mM pH 6.0 . 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCA' '3D HNCACB' '3D HNCO' '3D CBCA(CO)NH' '3D HACACBCO' '3D TOCSY-HSQC' '3D HCCH-TOCSY' '2D DQF-COSY' '2D TOCSY' 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 'domain C polypeptide' _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 1 232 4 LYS H H 8.59 . 1 2 232 4 LYS HA H 4.21 . 1 3 233 4 LYS HB2 H 1.9 . 2 4 233 4 LYS HB3 H 1.75 . 2 5 233 4 LYS HG2 H 1.48 . 2 6 233 4 LYS HG3 H 1.48 . 2 7 233 4 LYS C C 177.4 . 1 8 233 4 LYS CA C 58.1 . 1 9 233 4 LYS CB C 32.7 . 1 10 233 4 LYS N N 123.1 . 1 11 234 5 LEU H H 8.3 . 1 12 234 5 LEU HA H 4.25 . 1 13 234 5 LEU HB2 H 1.73 . 2 14 234 5 LEU HB3 H 1.73 . 2 15 234 5 LEU HD1 H 0.95 . 1 16 234 5 LEU HD2 H 0.54 . 1 17 234 5 LEU C C 177.4 . 1 18 234 5 LEU CA C 57.3 . 1 19 234 5 LEU CB C 42 . 1 20 234 5 LEU N N 123.9 . 1 21 235 6 GLU H H 8.63 . 1 22 235 6 GLU HA H 3.98 . 1 23 235 6 GLU HB2 H 2.11 . 2 24 235 6 GLU HB3 H 2.11 . 2 25 235 6 GLU C C 178.5 . 1 26 235 6 GLU CA C 59.9 . 1 27 235 6 GLU CB C 29.4 . 1 28 235 6 GLU N N 119.4 . 1 29 236 7 LYS H H 7.98 . 1 30 236 7 LYS HA H 4.1 . 1 31 236 7 LYS HB2 H 1.93 . 2 32 236 7 LYS HB3 H 1.93 . 2 33 236 7 LYS C C 178.2 . 1 34 236 7 LYS CA C 59.4 . 1 35 236 7 LYS CB C 32.5 . 1 36 236 7 LYS N N 120 . 1 37 237 8 ALA H H 8.1 . 1 38 237 8 ALA HA H 4.21 . 1 39 237 8 ALA HB H 1.5 . 1 40 237 8 ALA C C 180.1 . 1 41 237 8 ALA CA C 55 . 1 42 237 8 ALA CB C 18.5 . 1 43 237 8 ALA N N 124.2 . 1 44 238 9 LEU H H 8.66 . 1 45 238 9 LEU HA H 3.94 . 1 46 238 9 LEU HB2 H 1.78 . 2 47 238 9 LEU HB3 H 1.54 . 2 48 238 9 LEU HD1 H 0.96 . 1 49 238 9 LEU HD2 H 0.83 . 1 50 238 9 LEU HG H 1.95 . 1 51 238 9 LEU C C 178.9 . 1 52 238 9 LEU CA C 58 . 1 53 238 9 LEU CB C 41.9 . 1 54 238 9 LEU N N 122.2 . 1 55 239 10 LYS H H 7.8 . 1 56 239 10 LYS HA H 4.07 . 1 57 239 10 LYS HB2 H 1.95 . 2 58 239 10 LYS HB3 H 1.54 . 2 59 239 10 LYS CA C 59.2 . 1 60 239 10 LYS CB C 32.4 . 1 61 239 10 LYS N N 120.6 . 1 62 240 11 ALA H H 7.96 . 1 63 240 11 ALA HA H 4.22 . 1 64 240 11 ALA HB H 1.5 . 1 65 240 11 ALA C C 180 . 1 66 240 11 ALA CA C 55 . 1 67 240 11 ALA CB C 17.9 . 1 68 240 11 ALA N N 120.5 . 1 69 241 12 GLN H H 7.99 . 1 70 241 12 GLN HA H 4.13 . 1 71 241 12 GLN HB2 H 2.31 . 2 72 241 12 GLN HB3 H 2.26 . 2 73 241 12 GLN C C 176.2 . 1 74 241 12 GLN CA C 59.4 . 1 75 241 12 GLN CB C 31.1 . 1 76 241 12 GLN N N 120.4 . 1 77 242 13 ASN H H 8.59 . 1 78 242 13 ASN HA H 4.47 . 1 79 242 13 ASN HB2 H 2.96 . 2 80 242 13 ASN HB3 H 2.78 . 2 81 242 13 ASN HD21 H 7.64 . 2 82 242 13 ASN HD22 H 6.82 . 2 83 242 13 ASN C C 177.8 . 1 84 242 13 ASN CA C 56 . 1 85 242 13 ASN CB C 37.7 . 1 86 242 13 ASN N N 119.6 . 1 87 242 13 ASN ND2 N 111.8 . 1 88 243 14 ASP H H 8.79 . 1 89 243 14 ASP HA H 4.51 . 1 90 243 14 ASP HB2 H 2.81 . 2 91 243 14 ASP HB3 H 2.67 . 2 92 243 14 ASP C C 177.3 . 1 93 243 14 ASP CA C 57.4 . 1 94 243 14 ASP CB C 40.2 . 1 95 243 14 ASP N N 122.4 . 1 96 244 15 LEU H H 7.82 . 1 97 244 15 LEU HA H 4.22 . 1 98 244 15 LEU HB2 H 2.11 . 2 99 244 15 LEU HB3 H 1.71 . 2 100 244 15 LEU HD1 H 0.84 . 1 101 244 15 LEU HD2 H 0.94 . 1 102 244 15 LEU HG H 1.46 . 1 103 244 15 LEU C C 177.6 . 1 104 244 15 LEU CA C 58.5 . 1 105 244 15 LEU CB C 41.6 . 1 106 244 15 LEU CD1 C 26.28 . 2 107 244 15 LEU CD2 C 24.02 . 2 108 244 15 LEU N N 123.5 . 1 109 245 16 ILE H H 8.07 . 1 110 245 16 ILE HA H 3.4 . 1 111 245 16 ILE HB H 2 . 1 112 245 16 ILE HD1 H 0.8 . 1 113 245 16 ILE HG12 H 1.72 . 2 114 245 16 ILE HG13 H 1 . 2 115 245 16 ILE HG2 H 0.83 . 1 116 245 16 ILE C C 177 . 1 117 245 16 ILE CA C 65.1 . 1 118 245 16 ILE CB C 37.6 . 1 119 245 16 ILE CD1 C 12.38 . 1 120 245 16 ILE CG2 C 17.6 . 1 121 245 16 ILE N N 118.8 . 1 122 246 17 TRP H H 8.39 . 1 123 246 17 TRP HA H 4 . 1 124 246 17 TRP HB2 H 3.45 . 2 125 246 17 TRP HB3 H 3.4 . 2 126 246 17 TRP HD1 H 7.27 . 1 127 246 17 TRP HE1 H 10.04 . 1 128 246 17 TRP HE3 H 7.65 . 1 129 246 17 TRP HH2 H 7.18 . 1 130 246 17 TRP HZ2 H 7.47 . 1 131 246 17 TRP HZ3 H 7.12 . 1 132 246 17 TRP C C 177.9 . 1 133 246 17 TRP CA C 62 . 1 134 246 17 TRP CB C 29.1 . 1 135 246 17 TRP N N 120 . 1 136 246 17 TRP NE1 N 129.1 . 1 137 247 18 ASN H H 8.42 . 1 138 247 18 ASN HA H 4.33 . 1 139 247 18 ASN HB2 H 2.89 . 2 140 247 18 ASN HB3 H 2.46 . 2 141 247 18 ASN HD21 H 7.35 . 2 142 247 18 ASN HD22 H 7.01 . 2 143 247 18 ASN C C 177.1 . 1 144 247 18 ASN CA C 56.8 . 1 145 247 18 ASN CB C 38.6 . 1 146 247 18 ASN N N 118.7 . 1 147 247 18 ASN ND2 N 112.3 . 1 148 248 19 ILE H H 8.39 . 1 149 248 19 ILE HA H 3.66 . 1 150 248 19 ILE HB H 1.86 . 1 151 248 19 ILE HD1 H 0.56 . 1 152 248 19 ILE HG12 H 1.51 . 2 153 248 19 ILE HG13 H 1.09 . 2 154 248 19 ILE HG2 H 0.75 . 1 155 248 19 ILE C C 176.8 . 1 156 248 19 ILE CA C 64.8 . 1 157 248 19 ILE CB C 37.5 . 1 158 248 19 ILE CD1 C 13.77 . 1 159 248 19 ILE CG2 C 17.51 . 1 160 248 19 ILE N N 121.3 . 1 161 249 20 LYS H H 8.21 . 1 162 249 20 LYS HA H 3.69 . 1 163 249 20 LYS C C 177.1 . 1 164 249 20 LYS CA C 61.4 . 1 165 249 20 LYS CB C 32.3 . 1 166 249 20 LYS N N 119.2 . 1 167 250 21 ASP H H 7.93 . 1 168 250 21 ASP HA H 4.08 . 1 169 250 21 ASP HB2 H 2.49 . 2 170 250 21 ASP HB3 H 2.13 . 2 171 250 21 ASP C C 177.7 . 1 172 250 21 ASP CA C 57.5 . 1 173 250 21 ASP CB C 41.8 . 1 174 250 21 ASP N N 118.2 . 1 175 251 22 GLU H H 7.85 . 1 176 251 22 GLU HA H 4.05 . 1 177 251 22 GLU HB2 H 1.99 . 2 178 251 22 GLU HB3 H 1.83 . 2 179 251 22 GLU HG2 H 2.28 . 2 180 251 22 GLU HG3 H 2.15 . 2 181 251 22 GLU C C 179 . 1 182 251 22 GLU CA C 59.2 . 1 183 251 22 GLU CB C 29.4 . 1 184 251 22 GLU N N 118.5 . 1 185 252 23 LEU H H 8.8 . 1 186 252 23 LEU HA H 3.92 . 1 187 252 23 LEU HB2 H 1.98 . 2 188 252 23 LEU HB3 H 1.87 . 2 189 252 23 LEU HD1 H 0.94 . 1 190 252 23 LEU HD2 H 0.77 . 1 191 252 23 LEU HG H 1.12 . 1 192 252 23 LEU C C 178.3 . 1 193 252 23 LEU CA C 58.1 . 1 194 252 23 LEU CB C 42.8 . 1 195 252 23 LEU N N 119.6 . 1 196 253 24 LYS H H 7.79 . 1 197 253 24 LYS HA H 4.12 . 1 198 253 24 LYS HB2 H 1.88 . 2 199 253 24 LYS HB3 H 1.57 . 2 200 253 24 LYS C C 177.4 . 1 201 253 24 LYS CA C 58.3 . 1 202 253 24 LYS CB C 32.5 . 1 203 253 24 LYS N N 115.7 . 1 204 254 25 LYS H H 7.36 . 1 205 254 25 LYS HA H 4.2 . 1 206 254 25 LYS HB2 H 1.97 . 2 207 254 25 LYS HB3 H 2.91 . 2 208 254 25 LYS HG2 H 1.66 . 2 209 254 25 LYS HG3 H 1.4 . 2 210 254 25 LYS C C 178 . 1 211 254 25 LYS CA C 58.5 . 1 212 254 25 LYS CB C 33.8 . 1 213 254 25 LYS N N 116.6 . 1 214 255 26 VAL H H 7.57 . 1 215 255 26 VAL HA H 4.49 . 1 216 255 26 VAL HB H 2.28 . 1 217 255 26 VAL HG1 H 1.08 . 2 218 255 26 VAL HG2 H 0.95 . 2 219 255 26 VAL C C 177.9 . 1 220 255 26 VAL CA C 62.2 . 1 221 255 26 VAL CB C 33.9 . 1 222 255 26 VAL CG1 C 19.45 . 2 223 255 26 VAL N N 110.2 . 1 224 256 27 CYS H H 8.26 . 1 225 256 27 CYS HA H 4.95 . 1 226 256 27 CYS HB2 H 3.09 . 2 227 256 27 CYS HB3 H 2.94 . 2 228 256 27 CYS C C 173.5 . 1 229 256 27 CYS CA C 58.6 . 1 230 256 27 CYS CB C 30.7 . 1 231 256 27 CYS N N 119.4 . 1 232 257 28 SER H H 9.31 . 1 233 257 28 SER HA H 4.76 . 1 234 257 28 SER C C 174.9 . 1 235 257 28 SER CA C 56.5 . 1 236 257 28 SER CB C 65.8 . 1 237 257 28 SER N N 119.5 . 1 238 258 29 THR H H 8.98 . 1 239 258 29 THR HA H 4.15 . 1 240 258 29 THR HB H 3.94 . 1 241 258 29 THR HG2 H 1.3 . . 242 258 29 THR C C 175.8 . 1 243 258 29 THR CA C 67.5 . 1 244 258 29 THR CB C 68 . 1 245 258 29 THR CG2 C 23.73 . 1 246 258 29 THR N N 118.5 . 1 247 259 30 ASN H H 8.47 . 1 248 259 30 ASN HA H 4.4 . 1 249 259 30 ASN HB2 H 2.85 . 2 250 259 30 ASN HB3 H 2.75 . 2 251 259 30 ASN HD21 H 7.79 . 2 252 259 30 ASN HD22 H 7.07 . 2 253 259 30 ASN C C 176.8 . 1 254 259 30 ASN CA C 57 . 1 255 259 30 ASN CB C 38.2 . 1 256 259 30 ASN N N 119.6 . 1 257 259 30 ASN ND2 N 113.5 . 1 258 260 31 ASP H H 7.98 . 1 259 260 31 ASP HA H 4.43 . 1 260 260 31 ASP HB2 H 3.25 . 2 261 260 31 ASP HB3 H 2.72 . 2 262 260 31 ASP C C 177.5 . 1 263 260 31 ASP CA C 57.7 . 1 264 260 31 ASP CB C 40.8 . 1 265 260 31 ASP N N 121.3 . 1 266 261 32 LEU H H 7.78 . 1 267 261 32 LEU HA H 4.04 . 1 268 261 32 LEU HB2 H 2.22 . 2 269 261 32 LEU HB3 H 2 . 2 270 261 32 LEU HD1 H 0.88 . 1 271 261 32 LEU HD2 H 0.91 . 1 272 261 32 LEU HG H 1.34 . 1 273 261 32 LEU C C 178.3 . 1 274 261 32 LEU CA C 58 . 1 275 261 32 LEU CB C 41.8 . 1 276 261 32 LEU CD1 C 27.34 . 2 277 261 32 LEU CD2 C 26.3 . 2 278 261 32 LEU N N 118.1 . 1 279 262 33 LYS H H 8.24 . 1 280 262 33 LYS HA H 3.89 . 1 281 262 33 LYS HB2 H 1.78 . 2 282 262 33 LYS HB3 H 1.78 . 2 283 262 33 LYS C C 177.7 . 1 284 262 33 LYS CA C 61.1 . 1 285 262 33 LYS CB C 32.6 . 1 286 262 33 LYS N N 118.3 . 1 287 263 34 GLU H H 8.05 . 1 288 263 34 GLU HA H 4.05 . 1 289 263 34 GLU HB2 H 2.38 . 2 290 263 34 GLU HB3 H 2.24 . 2 291 263 34 GLU HG2 H 2.55 . 2 292 263 34 GLU HG3 H 2.55 . 2 293 263 34 GLU C C 179.1 . 1 294 263 34 GLU CA C 59.5 . 1 295 263 34 GLU CB C 29 . 1 296 263 34 GLU N N 117.4 . 1 297 264 35 LEU H H 8.04 . 1 298 264 35 LEU HA H 3.9 . 1 299 264 35 LEU HB2 H 2.34 . 2 300 264 35 LEU HB3 H 1.71 . 2 301 264 35 LEU HD1 H 0.82 . 1 302 264 35 LEU HD2 H 0.53 . 1 303 264 35 LEU HG H 1.82 . 1 304 264 35 LEU CA C 58.5 . 1 305 264 35 LEU CB C 42.1 . 1 306 264 35 LEU CD1 C 25.4 . 2 307 264 35 LEU CD2 C 23.9 . 2 308 264 35 LEU CG C 26.28 . 1 309 264 35 LEU N N 120.3 . 1 310 265 36 LEU H H 7.83 . 1 311 265 36 LEU HA H 4.05 . 1 312 265 36 LEU HD1 H 1.02 . 1 313 265 36 LEU HD2 H 1.02 . 1 314 265 36 LEU HG H 1.22 . 1 315 265 36 LEU C C 178.4 . 1 316 265 36 LEU CA C 58.9 . 1 317 265 36 LEU CB C 40.6 . 1 318 265 36 LEU CD1 C 22.56 . 2 319 265 36 LEU CD2 C 22.56 . 2 320 265 36 LEU CG C 27.25 . 1 321 265 36 LEU N N 120 . 1 322 266 37 ILE H H 8.52 . 1 323 266 37 ILE HA H 3.76 . 1 324 266 37 ILE HB H 1.88 . 1 325 266 37 ILE HD1 H 0.98 . 1 326 266 37 ILE HG12 H 1.8 . 2 327 266 37 ILE HG13 H 1.11 . 2 328 266 37 ILE HG2 H 0.86 . 1 329 266 37 ILE C C 180.7 . 1 330 266 37 ILE CA C 65.5 . 1 331 266 37 ILE CB C 38.7 . 1 332 266 37 ILE CG2 C 13.4 . 1 333 266 37 ILE N N 121.8 . 1 334 267 38 PHE H H 8.87 . 1 335 267 38 PHE HA H 4.14 . 1 336 267 38 PHE HB2 H 3.36 . 2 337 267 38 PHE HB3 H 2.77 . 2 338 267 38 PHE HD1 H 7.04 . 3 339 267 38 PHE HD2 H 7.04 . 3 340 267 38 PHE HE1 H 7.1 . 3 341 267 38 PHE HE2 H 7.1 . 3 342 267 38 PHE HZ H 7.25 . 1 343 267 38 PHE C C 175.3 . 1 344 267 38 PHE CA C 61.5 . 1 345 267 38 PHE CB C 39.4 . 1 346 267 38 PHE N N 123.6 . 1 347 268 39 ASN H H 7.1 . 1 348 268 39 ASN HA H 4.26 . 1 349 268 39 ASN HB2 H 2.58 . 2 350 268 39 ASN HB3 H 2.01 . 2 351 268 39 ASN HD21 H 7.25 . 2 352 268 39 ASN HD22 H 6.51 . 2 353 268 39 ASN C C 172.8 . 1 354 268 39 ASN CA C 54.1 . 1 355 268 39 ASN CB C 40 . 1 356 268 39 ASN N N 113.6 . 1 357 268 39 ASN ND2 N 114.4 . 1 358 269 40 LYS H H 8.32 . 1 359 269 40 LYS HA H 4 . 1 360 269 40 LYS C C 174.7 . 1 361 269 40 LYS CA C 56.9 . 1 362 269 40 LYS CB C 28.2 . 1 363 269 40 LYS N N 118.3 . 1 364 270 41 GLN H H 8.35 . 1 365 270 41 GLN HA H 4.72 . 1 366 270 41 GLN HB2 H 1.86 . 2 367 270 41 GLN HB3 H 2.27 . 2 368 270 41 GLN HG2 H 2.58 . 2 369 270 41 GLN HG3 H 2.49 . 2 370 270 41 GLN C C 175.2 . 1 371 270 41 GLN CA C 52.3 . 1 372 270 41 GLN CB C 31.6 . 1 373 270 41 GLN N N 116.8 . 1 374 271 42 GLN H H 8.16 . 1 375 271 42 GLN HA H 4.12 . 1 376 271 42 GLN HB2 H 2 . 2 377 271 42 GLN HB3 H 1.85 . 2 378 271 42 GLN HE21 H 7.69 . 2 379 271 42 GLN HE22 H 6.92 . 2 380 271 42 GLN HG2 H 2.55 . 2 381 271 42 GLN HG3 H 2.26 . 2 382 271 42 GLN C C 175 . 1 383 271 42 GLN CA C 56 . 1 384 271 42 GLN CB C 29.7 . 1 385 271 42 GLN CG C 34.3 . 1 386 271 42 GLN N N 121.3 . 1 387 271 42 GLN NE2 N 112.1 . 1 388 272 43 VAL H H 8.61 . 1 389 272 43 VAL HA H 2.1 . 1 390 272 43 VAL HB H 1.06 . 1 391 272 43 VAL CA C 59.7 . 1 392 272 43 VAL CB C 32.8 . 1 393 272 43 VAL N N 124 . 1 394 274 45 SER H H 7.6 . 1 395 274 45 SER HB2 H 3.85 . 2 396 274 45 SER HB3 H 3.85 . 2 397 274 45 SER C C 174.8 . 1 398 274 45 SER CA C 59.2 . 1 399 274 45 SER CB C 63.8 . 1 400 275 46 GLY H H 8.24 . 1 401 275 46 GLY HA2 H 4.21 . 2 402 275 46 GLY HA3 H 4 . 2 403 275 46 GLY C C 173.1 . 1 404 275 46 GLY CA C 44.9 . 1 405 275 46 GLY N N 112.1 . 1 406 276 47 GLU H H 8.82 . 1 407 276 47 GLU HA H 3.89 . 1 408 276 47 GLU HB2 H 2.35 . 2 409 276 47 GLU HB3 H 2.12 . 2 410 276 47 GLU C C 177.8 . 1 411 276 47 GLU CA C 60.6 . 1 412 276 47 GLU CB C 29.8 . 1 413 276 47 GLU N N 124.6 . 1 414 277 48 SER H H 8.69 . 1 415 277 48 SER HA H 4.18 . 1 416 277 48 SER HB2 H 3.96 . 2 417 277 48 SER HB3 H 3.96 . 2 418 277 48 SER C C 175.3 . 1 419 277 48 SER CA C 62.2 . 1 420 277 48 SER CB C 61.4 . 1 421 277 48 SER N N 114.7 . 1 422 278 49 ALA H H 7.59 . 1 423 278 49 ALA HA H 4.37 . 1 424 278 49 ALA HB H 1.48 . 1 425 278 49 ALA C C 179.1 . 1 426 278 49 ALA CA C 54.8 . 1 427 278 49 ALA CB C 18.8 . 1 428 278 49 ALA N N 124.9 . 1 429 279 50 ILE H H 7.98 . 1 430 279 50 ILE HA H 3.33 . 1 431 279 50 ILE HB H 1.96 . 1 432 279 50 ILE HD1 H 0.79 . 1 433 279 50 ILE HG2 H 0.9 . 1 434 279 50 ILE C C 176.5 . 1 435 279 50 ILE CA C 66.6 . 1 436 279 50 ILE CB C 38.5 . 1 437 279 50 ILE CD1 C 14.36 . 1 438 279 50 ILE CG2 C 18.53 . 1 439 279 50 ILE N N 119.6 . 1 440 280 51 LEU H H 7.84 . 1 441 280 51 LEU HA H 3.9 . 1 442 280 51 LEU HB2 H 1.81 . 2 443 280 51 LEU HB3 H 1.61 . 2 444 280 51 LEU HD1 H 0.93 . 1 445 280 51 LEU HD2 H 0.8 . 1 446 280 51 LEU HG H 1.28 . 1 447 280 51 LEU C C 177.6 . 1 448 280 51 LEU CA C 58.6 . 1 449 280 51 LEU CB C 42.3 . 1 450 280 51 LEU N N 119 . 1 451 281 52 ASP H H 8.1 . 1 452 281 52 ASP HA H 4.29 . 1 453 281 52 ASP HB2 H 2.9 . 2 454 281 52 ASP HB3 H 2.76 . 2 455 281 52 ASP C C 178.8 . 1 456 281 52 ASP CA C 58.2 . 1 457 281 52 ASP CB C 41 . 1 458 281 52 ASP N N 117.9 . 1 459 282 53 ARG H H 8.26 . 1 460 282 53 ARG HA H 4.27 . 1 461 282 53 ARG HB2 H 2.07 . 2 462 282 53 ARG HB3 H 2.07 . 2 463 282 53 ARG C C 179.7 . 1 464 282 53 ARG CA C 59.1 . 1 465 282 53 ARG CB C 30.5 . 1 466 282 53 ARG N N 118.8 . 1 467 283 54 VAL H H 8.48 . 1 468 283 54 VAL HA H 3.51 . 1 469 283 54 VAL HB H 2.05 . 1 470 283 54 VAL HG1 H 1.26 . 2 471 283 54 VAL HG2 H 0.92 . 2 472 283 54 VAL C C 175.3 . 1 473 283 54 VAL CA C 66.9 . 1 474 283 54 VAL CB C 31.5 . 1 475 283 54 VAL CG1 C 24.7 . 2 476 283 54 VAL CG2 C 23.12 . 2 477 283 54 VAL N N 122.2 . 1 478 284 55 ALA H H 8.2 . 1 479 284 55 ALA HA H 3.62 . 1 480 284 55 ALA C C 176.9 . 1 481 284 55 ALA CA C 56 . 1 482 284 55 ALA CB C 18.5 . 1 483 284 55 ALA N N 121.1 . 1 484 285 56 ASP H H 7.56 . 1 485 285 56 ASP HA H 4.13 . 1 486 285 56 ASP HB2 H 2.77 . 2 487 285 56 ASP HB3 H 2.71 . 2 488 285 56 ASP C C 176.2 . 1 489 285 56 ASP CA C 57.3 . 1 490 285 56 ASP CB C 43.3 . 1 491 285 56 ASP N N 114.2 . 1 492 286 57 GLY H H 7.52 . 1 493 286 57 GLY HA2 H 3.81 . 2 494 286 57 GLY HA3 H 3.05 . 2 495 286 57 GLY C C 174.5 . 1 496 286 57 GLY CA C 46.4 . 1 497 286 57 GLY N N 105.7 . 1 498 287 58 MET H H 7.71 . 1 499 287 58 MET HA H 2.85 . 1 500 287 58 MET HB2 H 1.4 . 2 501 287 58 MET HB3 H 1.4 . 2 502 287 58 MET HE H 1.89 . . 503 287 58 MET HG2 H 1.5 . 2 504 287 58 MET HG3 H 1.83 . 2 505 287 58 MET C C 176.9 . 1 506 287 58 MET CA C 58.8 . 1 507 287 58 MET CB C 33 . 1 508 287 58 MET CE C 17.8 . 1 509 287 58 MET N N 118.1 . 1 510 288 59 VAL H H 7.34 . 1 511 288 59 VAL HA H 3.39 . 1 512 288 59 VAL HB H 0.95 . 1 513 288 59 VAL HG1 H 0.52 . 2 514 288 59 VAL HG2 H -0.28 . 2 515 288 59 VAL C C 175.4 . 1 516 288 59 VAL CA C 65.3 . 1 517 288 59 VAL CB C 32.4 . 1 518 288 59 VAL CG1 C 24.2 . 2 519 288 59 VAL CG2 C 21.8 . 2 520 288 59 VAL N N 115.7 . 1 521 289 60 PHE H H 7.83 . 1 522 289 60 PHE HA H 4.89 . 1 523 289 60 PHE HB2 H 3.26 . 2 524 289 60 PHE HB3 H 3.1 . 2 525 289 60 PHE HD1 H 7.47 . 3 526 289 60 PHE HD2 H 7.47 . 3 527 289 60 PHE HE1 H 6.93 . 3 528 289 60 PHE HE2 H 6.93 . 3 529 289 60 PHE HZ H 6.74 . 1 530 289 60 PHE C C 175.3 . 1 531 289 60 PHE CA C 58.3 . 1 532 289 60 PHE CB C 39.3 . 1 533 289 60 PHE N N 114.8 . 1 534 290 61 GLY H H 7.91 . 1 535 290 61 GLY HA2 H 4.7 . 2 536 290 61 GLY HA3 H 4.09 . 2 537 290 61 GLY C C 174.3 . 1 538 290 61 GLY CA C 44.2 . 1 539 290 61 GLY N N 108.8 . 1 540 291 62 ALA H H 8.38 . 1 541 291 62 ALA HA H 4.81 . 1 542 291 62 ALA HB H 1.47 . 1 543 291 62 ALA C C 176.2 . 1 544 291 62 ALA CA C 51.7 . 1 545 291 62 ALA CB C 20 . 1 546 291 62 ALA N N 124.6 . 1 547 292 63 LEU H H 8.4 . 1 548 292 63 LEU HA H 4.16 . 1 549 292 63 LEU HB2 H 2.17 . 2 550 292 63 LEU HB3 H 1.62 . 2 551 292 63 LEU HD1 H 1.08 . 1 552 292 63 LEU HD2 H 0.45 . 1 553 292 63 LEU HG H 1.86 . 1 554 292 63 LEU C C 177.4 . 1 555 292 63 LEU CA C 56.4 . 1 556 292 63 LEU CB C 43.2 . 1 557 292 63 LEU CD1 C 26.2 . 2 558 292 63 LEU CD2 C 25.12 . 2 559 292 63 LEU CG C 27.3 . 1 560 292 63 LEU N N 125.8 . 1 561 293 64 LEU H H 7.72 . 1 562 293 64 LEU HA H 4.63 . 1 563 293 64 LEU HB2 H 1.57 . 2 564 293 64 LEU HB3 H 1.43 . 2 565 293 64 LEU HD1 H 0.88 . 1 566 293 64 LEU HD2 H 0.81 . 1 567 293 64 LEU CA C 53.2 . 1 568 293 64 LEU CB C 40 . 1 569 293 64 LEU CD1 C 24 . 2 570 293 64 LEU CD2 C 25.1 . 2 571 293 64 LEU N N 123.4 . 1 572 294 65 PRO HA H 4.43 . 1 573 294 65 PRO C C 174.7 . 1 574 294 65 PRO CA C 62.7 . 1 575 294 65 PRO CB C 31.9 . 1 576 295 66 CYS H H 9.02 . 1 577 295 66 CYS HA H 3.93 . 1 578 295 66 CYS HB2 H 3.3 . 2 579 295 66 CYS C C 177.9 . 1 580 295 66 CYS CA C 60.5 . 1 581 295 66 CYS CB C 31.8 . 1 582 295 66 CYS N N 125.6 . 1 583 296 67 GLU H H 8.88 . 1 584 296 67 GLU HA H 4.06 . 1 585 296 67 GLU HB2 H 2.1 . 2 586 296 67 GLU HB3 H 2.1 . 2 587 296 67 GLU HG2 H 2.39 . 2 588 296 67 GLU HG3 H 2.39 . 2 589 296 67 GLU C C 176.2 . 1 590 296 67 GLU CA C 58.7 . 1 591 296 67 GLU CB C 30.5 . 1 592 296 67 GLU N N 129.6 . 1 593 297 68 GLU H H 9.54 . 1 594 297 68 GLU HA H 4.4 . 1 595 297 68 GLU HB2 H 2.08 . 2 596 297 68 GLU HB3 H 1.92 . 2 597 297 68 GLU HG2 H 2.4 . 2 598 297 68 GLU HG3 H 2.21 . 2 599 297 68 GLU C C 177.6 . 1 600 297 68 GLU CA C 58.1 . 1 601 297 68 GLU CB C 30.3 . 1 602 297 68 GLU N N 121.1 . 1 603 298 69 CYS H H 8.48 . 1 604 298 69 CYS HA H 5.1 . 1 605 298 69 CYS HB2 H 3.16 . 2 606 298 69 CYS HB3 H 2.54 . 2 607 298 69 CYS C C 176.6 . 1 608 298 69 CYS CA C 57 . 1 609 298 69 CYS CB C 33.4 . 1 610 298 69 CYS N N 119.4 . 1 611 299 70 SER H H 7.95 . 1 612 299 70 SER HA H 4.32 . 1 613 299 70 SER HB2 H 3.42 . 2 614 299 70 SER HB3 H 3.32 . 2 615 299 70 SER C C 172.6 . 1 616 299 70 SER CA C 61.4 . 1 617 299 70 SER CB C 62.7 . 1 618 299 70 SER N N 117.4 . 1 619 300 71 GLY H H 9.99 . 1 620 300 71 GLY HA2 H 4.04 . 2 621 300 71 GLY HA3 H 3.43 . 2 622 300 71 GLY C C 170.3 . 1 623 300 71 GLY CA C 43.4 . 1 624 300 71 GLY N N 117 . 1 625 301 72 GLN H H 8.2 . 1 626 301 72 GLN HA H 4.49 . 1 627 301 72 GLN HB2 H 2.02 . 2 628 301 72 GLN HB3 H 1.74 . 2 629 301 72 GLN HG2 H 2.18 . 2 630 301 72 GLN HG3 H 2.18 . 2 631 301 72 GLN C C 176.1 . 1 632 301 72 GLN CA C 53.6 . 1 633 301 72 GLN CB C 31.1 . 1 634 301 72 GLN N N 117.3 . 1 635 302 73 LEU H H 10 . 1 636 302 73 LEU HA H 5.11 . 1 637 302 73 LEU HB2 H 1.89 . 2 638 302 73 LEU HB3 H 1.62 . 2 639 302 73 LEU HD1 H 0.94 . 1 640 302 73 LEU HD2 H 0.79 . 1 641 302 73 LEU HG H 1.42 . 1 642 302 73 LEU C C 177.5 . 1 643 302 73 LEU CA C 56.1 . 1 644 302 73 LEU CB C 43.7 . 1 645 302 73 LEU CD1 C 25.5 . 2 646 302 73 LEU CD2 C 25.5 . 2 647 302 73 LEU N N 133.9 . 1 648 303 74 VAL H H 9.22 . 1 649 303 74 VAL HA H 4.49 . 1 650 303 74 VAL HB H 2 . 1 651 303 74 VAL HG1 H 0.98 . 2 652 303 74 VAL HG2 H 0.98 . 2 653 303 74 VAL C C 174.3 . 1 654 303 74 VAL CA C 60.9 . 1 655 303 74 VAL CB C 36.2 . 1 656 303 74 VAL N N 118.5 . 1 657 304 75 PHE H H 9.1 . 1 658 304 75 PHE HA H 3.92 . 1 659 304 75 PHE HB2 H 2.77 . 2 660 304 75 PHE HB3 H 2.69 . 2 661 304 75 PHE HD1 H 6.5 . 3 662 304 75 PHE HD2 H 6.5 . 3 663 304 75 PHE HE1 H 7.08 . 3 664 304 75 PHE HE2 H 7.08 . 3 665 304 75 PHE HZ H 7.2 . 1 666 304 75 PHE C C 174 . 1 667 304 75 PHE CA C 59.5 . 1 668 304 75 PHE CB C 38.8 . 1 669 304 75 PHE N N 128.2 . 1 670 305 76 LYS H H 8 . 1 671 305 76 LYS HA H 4.2 . 1 672 305 76 LYS HB2 H 1.63 . 2 673 305 76 LYS HB3 H 1.63 . 2 674 305 76 LYS HG2 H 1.23 . 2 675 305 76 LYS HG3 H 1.16 . 2 676 305 76 LYS C C 174.4 . 1 677 305 76 LYS CA C 55.2 . 1 678 305 76 LYS CB C 33.2 . 1 679 305 76 LYS N N 129.8 . 1 680 306 77 SER H H 6.56 . 1 681 306 77 SER HA H 3.65 . 1 682 306 77 SER HB2 H 3.94 . 2 683 306 77 SER HB3 H 3.94 . 2 684 306 77 SER C C 173.4 . 1 685 306 77 SER CA C 63.8 . 1 686 306 77 SER CB C 62 . 1 687 306 77 SER N N 111.8 . 1 688 307 78 ASP H H 9.34 . 1 689 307 78 ASP HA H 4.78 . 1 690 307 78 ASP HB2 H 2.92 . 2 691 307 78 ASP HB3 H 2.57 . 2 692 307 78 ASP C C 174.1 . 1 693 307 78 ASP CA C 53.4 . 1 694 307 78 ASP CB C 41.3 . 1 695 307 78 ASP N N 120 . 1 696 308 79 ALA H H 7.52 . 1 697 308 79 ALA HA H 3.7 . 1 698 308 79 ALA HB H 0.89 . 1 699 308 79 ALA C C 173.9 . 1 700 308 79 ALA CA C 51.8 . 1 701 308 79 ALA CB C 20.2 . 1 702 308 79 ALA N N 118.2 . 1 703 309 80 TYR H H 8.45 . 1 704 309 80 TYR HA H 5.1 . 1 705 309 80 TYR HB2 H 3.18 . 2 706 309 80 TYR HB3 H 2.54 . 2 707 309 80 TYR HD1 H 7.07 . 3 708 309 80 TYR HD2 H 7.07 . 3 709 309 80 TYR HE1 H 7.14 . 3 710 309 80 TYR HE2 H 7.14 . 3 711 309 80 TYR C C 173.8 . 1 712 309 80 TYR CA C 58.4 . 1 713 309 80 TYR CB C 39.3 . 1 714 309 80 TYR N N 116.6 . 1 715 310 81 TYR H H 9.19 . 1 716 310 81 TYR HA H 5.04 . 1 717 310 81 TYR HB2 H 3.06 . 2 718 310 81 TYR HB3 H 2.65 . 2 719 310 81 TYR HD1 H 6.86 . 3 720 310 81 TYR HD2 H 6.86 . 3 721 310 81 TYR HE1 H 7.15 . 3 722 310 81 TYR HE2 H 7.15 . 3 723 310 81 TYR C C 174.9 . 1 724 310 81 TYR CA C 56.4 . 1 725 310 81 TYR CB C 41 . 1 726 310 81 TYR N N 122.1 . 1 727 311 82 CYS H H 8.54 . 1 728 311 82 CYS HA H 4.41 . 1 729 311 82 CYS HB2 H 2.85 . 2 730 311 82 CYS HB3 H 2.61 . 2 731 311 82 CYS CA C 62.1 . 1 732 311 82 CYS CB C 31 . 1 733 311 82 CYS N N 124.9 . 1 734 312 83 THR H H 7.8 . 1 735 312 83 THR HB H 4.61 . 1 736 312 83 THR HG2 H 1.35 . . 737 312 83 THR C C 175.2 . 1 738 312 83 THR CA C 62 . 1 739 312 83 THR CB C 70.8 . 1 740 312 83 THR N N 118.5 . 1 741 313 84 GLY H H 10.46 . 1 742 313 84 GLY HA2 H 4.56 . 2 743 313 84 GLY HA3 H 4.16 . 2 744 313 84 GLY C C 172.4 . 1 745 313 84 GLY CA C 45.3 . 1 746 313 84 GLY N N 120.5 . 1 747 314 85 ASP H H 8.2 . 1 748 314 85 ASP HA H 5.06 . 1 749 314 85 ASP HB2 H 2.63 . 2 750 314 85 ASP HB3 H 2.35 . 2 751 314 85 ASP C C 174.8 . 1 752 314 85 ASP CA C 53.9 . 1 753 314 85 ASP CB C 42.8 . 1 754 314 85 ASP N N 119.4 . 1 755 315 86 VAL H H 8.34 . 1 756 315 86 VAL HA H 3.9 . 1 757 315 86 VAL HB H 1.92 . 1 758 315 86 VAL HG1 H 0.99 . 2 759 315 86 VAL HG2 H 0.93 . 2 760 315 86 VAL C C 176.3 . 1 761 315 86 VAL CA C 65.3 . 1 762 315 86 VAL CB C 32.4 . 1 763 315 86 VAL CG2 C 21.46 . 2 764 315 86 VAL N N 123.9 . 1 765 316 87 THR H H 7.96 . 1 766 316 87 THR HA H 4.44 . 1 767 316 87 THR HB H 4.24 . 1 768 316 87 THR HG2 H 1.16 . . 769 316 87 THR C C 173.5 . 1 770 316 87 THR CA C 59.8 . 1 771 316 87 THR CB C 72.5 . 1 772 316 87 THR N N 109.6 . 1 773 317 88 ALA H H 8.34 . 1 774 317 88 ALA HA H 3.98 . 1 775 317 88 ALA HB H 0.89 . 1 776 317 88 ALA C C 176.3 . 1 777 317 88 ALA CA C 53.8 . 1 778 317 88 ALA CB C 17.8 . 1 779 317 88 ALA N N 120.8 . 1 780 318 89 TRP H H 7.73 . 1 781 318 89 TRP HA H 4.78 . 1 782 318 89 TRP HB2 H 3.44 . 2 783 318 89 TRP HB3 H 3.15 . 2 784 318 89 TRP HD1 H 7.23 . 1 785 318 89 TRP HE1 H 10.14 . 1 786 318 89 TRP HE3 H 7.65 . 1 787 318 89 TRP HH2 H 7.25 . 1 788 318 89 TRP HZ2 H 7.52 . 1 789 318 89 TRP HZ3 H 7.21 . 1 790 318 89 TRP C C 174.9 . 1 791 318 89 TRP CA C 57.5 . 1 792 318 89 TRP CB C 30.2 . 1 793 318 89 TRP N N 114.8 . 1 794 318 89 TRP NE1 N 129.4 . 1 795 319 90 THR H H 7.34 . 1 796 319 90 THR HA H 4.6 . 1 797 319 90 THR HB H 3.94 . 1 798 319 90 THR HG2 H 1.18 . . 799 319 90 THR C C 172.4 . 1 800 319 90 THR CA C 61.3 . 1 801 319 90 THR CB C 71.2 . 1 802 319 90 THR N N 116.6 . 1 803 320 91 LYS H H 8.59 . 1 804 320 91 LYS HA H 4.63 . 1 805 320 91 LYS HB2 H 2.05 . 2 806 320 91 LYS HB3 H 1.77 . 2 807 320 91 LYS HD2 H 1.75 . 2 808 320 91 LYS HD3 H 1.67 . 2 809 320 91 LYS HE2 H 2.9 . 2 810 320 91 LYS HE3 H 3.08 . 2 811 320 91 LYS HG2 H 1.55 . 2 812 320 91 LYS HG3 H 1.55 . 2 813 320 91 LYS C C 175.2 . 1 814 320 91 LYS CA C 55.1 . 1 815 320 91 LYS CB C 32.7 . 1 816 320 91 LYS CD C 27.75 . 1 817 320 91 LYS CE C 41.42 . 1 818 320 91 LYS N N 126.9 . 1 819 321 92 CYS H H 8.28 . 1 820 321 92 CYS HA H 4 . 1 821 321 92 CYS HB2 H 2.66 . 2 822 321 92 CYS HB3 H 2.7 . 2 823 321 92 CYS C C 175.5 . 1 824 321 92 CYS CA C 61.3 . 1 825 321 92 CYS CB C 31.6 . 1 826 321 92 CYS N N 124.8 . 1 827 322 93 MET H H 8.48 . 1 828 322 93 MET HA H 4.94 . 1 829 322 93 MET HB2 H 2.35 . 2 830 322 93 MET HB3 H 1.91 . 2 831 322 93 MET HE H 2.13 . . 832 322 93 MET HG2 H 2.71 . 2 833 322 93 MET HG3 H 2.54 . 2 834 322 93 MET C C 176.3 . 1 835 322 93 MET CA C 54.3 . 1 836 322 93 MET CB C 32.1 . 1 837 322 93 MET CE C 17.8 . 1 838 322 93 MET CG C 32.1 . 1 839 322 93 MET N N 125.7 . 1 840 323 94 VAL H H 8.69 . 1 841 323 94 VAL HA H 3.7 . 1 842 323 94 VAL HB H 2.18 . 1 843 323 94 VAL HG1 H 0.96 . 2 844 323 94 VAL HG2 H 0.83 . 2 845 323 94 VAL C C 174.7 . 1 846 323 94 VAL CA C 66.3 . 1 847 323 94 VAL CB C 31.6 . 1 848 323 94 VAL CG1 C 23.99 . 2 849 323 94 VAL CG2 C 20.34 . 2 850 323 94 VAL N N 174.7 . 1 851 324 95 LYS H H 7.85 . 1 852 324 95 LYS HA H 4.97 . 1 853 324 95 LYS HB2 H 1.33 . 2 854 324 95 LYS HB3 H 1.08 . 2 855 324 95 LYS HD2 H 2.66 . 2 856 324 95 LYS HG2 H 0.75 . 2 857 324 95 LYS HG3 H 0.43 . 2 858 324 95 LYS C C 174.4 . 1 859 324 95 LYS CA C 54.6 . 1 860 324 95 LYS CB C 35 . 1 861 324 95 LYS CD C 42 . 1 862 324 95 LYS CG C 24.2 . 1 863 324 95 LYS N N 127.8 . 1 864 325 96 THR H H 9.18 . 1 865 325 96 THR HA H 4.72 . 1 866 325 96 THR HB H 4.2 . 1 867 325 96 THR HG2 H 0.84 . . 868 325 96 THR C C 172.4 . 1 869 325 96 THR CA C 59.6 . 1 870 325 96 THR CB C 68.4 . 1 871 325 96 THR N N 117.7 . 1 872 326 97 GLN H H 9.05 . 1 873 326 97 GLN HA H 4.29 . 1 874 326 97 GLN HB2 H 2.02 . 2 875 326 97 GLN HB3 H 1.85 . 2 876 326 97 GLN HG2 H 2.16 . 2 877 326 97 GLN HG3 H 2.16 . 2 878 326 97 GLN C C 175.5 . 1 879 326 97 GLN CA C 56.6 . 1 880 326 97 GLN CB C 28.8 . 1 881 326 97 GLN N N 126.4 . 1 882 327 98 THR H H 8.86 . 1 883 327 98 THR HA H 4.69 . 1 884 327 98 THR HB H 4.32 . 1 885 327 98 THR HG2 H 1.07 . . 886 327 98 THR CA C 57.4 . 1 887 327 98 THR CB C 69.1 . 1 888 327 98 THR N N 111.9 . 1 889 328 99 PRO C C 175.3 . 1 890 329 100 ASN H H 8.42 . 1 891 329 100 ASN HA H 4.7 . 1 892 329 100 ASN HB2 H 2.78 . 2 893 329 100 ASN HB3 H 2.4 . 2 894 329 100 ASN HD21 H 7.79 . 2 895 329 100 ASN HD22 H 7.05 . 2 896 329 100 ASN C C 175.3 . 1 897 329 100 ASN CA C 53.6 . 1 898 329 100 ASN CB C 38.8 . 1 899 329 100 ASN N N 119.1 . 1 900 329 100 ASN ND2 N 114.2 . 1 901 330 101 ARG H H 8.62 . 1 902 330 101 ARG HA H 5.3 . 1 903 330 101 ARG HB2 H 1.58 . 2 904 330 101 ARG HB3 H 1.58 . 2 905 330 101 ARG HD2 H 2.93 . 2 906 330 101 ARG HD3 H 2.75 . 2 907 330 101 ARG HG2 H 1.23 . 2 908 330 101 ARG HG3 H 1.23 . 2 909 330 101 ARG C C 174.5 . 1 910 330 101 ARG CG C 28 . 1 911 330 101 ARG N N 122.9 . 1 912 331 102 LYS H H 9.16 . 1 913 331 102 LYS HA H 4.8 . 1 914 331 102 LYS HB2 H 1.96 . 2 915 331 102 LYS HB3 H 1.73 . 2 916 331 102 LYS HD2 H 2.98 . 2 917 331 102 LYS HD3 H 2.98 . 2 918 331 102 LYS C C 174.2 . 1 919 331 102 LYS CA C 54.1 . 1 920 331 102 LYS CB C 35.6 . 1 921 331 102 LYS N N 119.4 . 1 922 332 103 GLU H H 8.56 . 1 923 332 103 GLU HA H 4.21 . 1 924 332 103 GLU HB2 H 1.97 . 2 925 332 103 GLU HB3 H 2.37 . 2 926 332 103 GLU C C 176.1 . 1 927 332 103 GLU CA C 57.8 . 1 928 332 103 GLU CB C 29.5 . 1 929 332 103 GLU N N 120.2 . 1 930 333 104 TRP H H 9.14 . 1 931 333 104 TRP HA H 4.27 . 1 932 333 104 TRP HB2 H 3.06 . 2 933 333 104 TRP HB3 H 3.28 . 2 934 333 104 TRP HD1 H 6.97 . 1 935 333 104 TRP HE1 H 9.57 . 1 936 333 104 TRP HZ2 H 7.17 . 1 937 333 104 TRP C C 175.3 . 1 938 333 104 TRP CA C 57.9 . 1 939 333 104 TRP CB C 29.4 . 1 940 333 104 TRP N N 126.5 . 1 941 333 104 TRP NE1 N 128.5 . 1 942 334 105 VAL H H 8.58 . 1 943 334 105 VAL HA H 4.48 . 1 944 334 105 VAL HB H 1.94 . 1 945 334 105 VAL HG1 H 0.86 . 2 946 334 105 VAL HG2 H 0.73 . 2 947 334 105 VAL C C 173.7 . 1 948 334 105 VAL CA C 60.6 . 1 949 334 105 VAL CB C 35 . 1 950 334 105 VAL CG1 C 22.5 . 2 951 334 105 VAL CG2 C 20.8 . 2 952 334 105 VAL N N 128.5 . 1 953 335 106 THR H H 8.43 . 1 954 335 106 THR HA H 4.49 . 1 955 335 106 THR HB H 3.92 . 1 956 335 106 THR HG2 H 1.16 . . 957 335 106 THR CA C 59 . 1 958 335 106 THR CB C 70 . 1 959 335 106 THR CG2 C 22.8 . 1 960 335 106 THR N N 120.2 . 1 961 336 107 PRO C C 176.1 . 1 962 337 108 LYS H H 8.55 . 1 963 337 108 LYS HA H 3.93 . 1 964 337 108 LYS HB2 H 1.72 . 2 965 337 108 LYS HB3 H 1.72 . 2 966 337 108 LYS HD2 H 0.65 . 2 967 337 108 LYS HD3 H 0.65 . 2 968 337 108 LYS HE2 H 3.08 . 2 969 337 108 LYS HE3 H 3.17 . 2 970 337 108 LYS HG2 H 1.47 . 2 971 337 108 LYS HG3 H 1.47 . 2 972 337 108 LYS C C 176.8 . 1 973 337 108 LYS CA C 59 . 1 974 337 108 LYS CB C 32.4 . 1 975 337 108 LYS CD C 26.4 . 1 976 337 108 LYS CG C 26 . 1 977 337 108 LYS N N 123.1 . 1 978 338 109 GLU H H 8.87 . 1 979 338 109 GLU HA H 4.08 . 1 980 338 109 GLU HB2 H 1.78 . 2 981 338 109 GLU HB3 H 1.86 . 2 982 338 109 GLU HG2 H 2.13 . 2 983 338 109 GLU HG3 H 2.13 . 2 984 338 109 GLU C C 175.8 . 1 985 338 109 GLU CA C 57.9 . 1 986 338 109 GLU CB C 28.4 . 1 987 338 109 GLU N N 116.9 . 1 988 339 110 PHE H H 7.66 . 1 989 339 110 PHE HA H 4.49 . 1 990 339 110 PHE HB2 H 3.02 . 2 991 339 110 PHE HB3 H 2.81 . 2 992 339 110 PHE HD1 H 7.17 . 3 993 339 110 PHE HD2 H 7.17 . 3 994 339 110 PHE HE1 H 7.28 . 3 995 339 110 PHE HE2 H 7.28 . 3 996 339 110 PHE C C 174.9 . 1 997 339 110 PHE CA C 58 . 1 998 339 110 PHE CB C 39.8 . 1 999 339 110 PHE N N 120.7 . 1 1000 340 111 ARG H H 7.6 . 1 1001 340 111 ARG HA H 4 . 1 1002 340 111 ARG HB2 H 1.7 . 2 1003 340 111 ARG HB3 H 1.58 . 2 1004 340 111 ARG HG2 H 1.47 . 2 1005 340 111 ARG HG3 H 1.47 . 2 1006 340 111 ARG C C 175.2 . 1 1007 340 111 ARG CA C 57.5 . 1 1008 340 111 ARG CB C 30.4 . 1 1009 340 111 ARG N N 122.9 . 1 1010 341 112 GLU H H 8.03 . 1 1011 341 112 GLU HA H 4.28 . 1 1012 341 112 GLU HB2 H 1.86 . 2 1013 341 112 GLU HB3 H 1.86 . 2 1014 341 112 GLU HG2 H 2.31 . 2 1015 341 112 GLU HG3 H 2.1 . 2 1016 341 112 GLU C C 176.2 . 1 1017 341 112 GLU CA C 56.7 . 1 1018 341 112 GLU CB C 29.7 . 1 1019 341 112 GLU N N 118.5 . 1 1020 342 113 ILE H H 7.86 . 1 1021 342 113 ILE HA H 4.2 . 1 1022 342 113 ILE HB H 2.07 . 1 1023 342 113 ILE HD1 H 0.87 . 1 1024 342 113 ILE HG12 H 1.32 . 2 1025 342 113 ILE HG13 H 1.52 . 2 1026 342 113 ILE HG2 H 0.99 . 1 1027 342 113 ILE C C 176.8 . 1 1028 342 113 ILE CA C 61 . 1 1029 342 113 ILE CB C 37.6 . 1 1030 342 113 ILE CD1 C 13.19 . 1 1031 342 113 ILE CG2 C 17.88 . 1 1032 342 113 ILE N N 122.4 . 1 1033 343 114 SER H H 9.18 . 1 1034 343 114 SER HA H 3.89 . 1 1035 343 114 SER C C 176.2 . 1 1036 343 114 SER CA C 62.5 . 1 1037 343 114 SER CB C 62.5 . 1 1038 343 114 SER N N 124.5 . 1 1039 344 115 TYR H H 8.3 . 1 1040 344 115 TYR HA H 4.13 . 1 1041 344 115 TYR HB2 H 3.04 . 2 1042 344 115 TYR HB3 H 2.74 . 2 1043 344 115 TYR HD1 H 6.96 . 3 1044 344 115 TYR HD2 H 6.96 . 3 1045 344 115 TYR HE1 H 6.74 . 3 1046 344 115 TYR HE2 H 6.74 . 3 1047 344 115 TYR C C 176.2 . 1 1048 344 115 TYR CA C 61.3 . 1 1049 344 115 TYR CB C 39.1 . 1 1050 344 115 TYR N N 120.8 . 1 1051 345 116 LEU H H 7.26 . 1 1052 345 116 LEU HA H 4.04 . 1 1053 345 116 LEU HB2 H 1.82 . 2 1054 345 116 LEU HB3 H 1.63 . 2 1055 345 116 LEU HD1 H 0.86 . 1 1056 345 116 LEU HD2 H 0.93 . 1 1057 345 116 LEU HG H 1.48 . 1 1058 345 116 LEU C C 178.2 . 1 1059 345 116 LEU CA C 56.6 . 1 1060 345 116 LEU CB C 41.5 . 1 1061 345 116 LEU CD1 C 24 . 2 1062 345 116 LEU N N 115.8 . 1 1063 346 117 LYS H H 7.87 . 1 1064 346 117 LYS HA H 4.07 . 1 1065 346 117 LYS HB2 H 1.88 . 2 1066 346 117 LYS HB3 H 1.5 . 2 1067 346 117 LYS HG2 H 2.09 . 2 1068 346 117 LYS HG3 H 2.09 . 2 1069 346 117 LYS C C 177.4 . 1 1070 346 117 LYS CA C 58.6 . 1 1071 346 117 LYS CB C 32.4 . 1 1072 346 117 LYS N N 119.9 . 1 1073 347 118 LYS H H 7.58 . 1 1074 347 118 LYS HA H 4.15 . 1 1075 347 118 LYS HB2 H 1.85 . 2 1076 347 118 LYS HB3 H 1.72 . 2 1077 347 118 LYS HG2 H 1.59 . 2 1078 347 118 LYS HG3 H 1.39 . 2 1079 347 118 LYS C C 176.2 . 1 1080 347 118 LYS CA C 57.1 . 1 1081 347 118 LYS CB C 32.6 . 1 1082 347 118 LYS N N 117 . 1 1083 348 119 LEU H H 7.33 . 1 1084 348 119 LEU HA H 4.16 . 1 1085 348 119 LEU HB2 H 1.55 . 2 1086 348 119 LEU HB3 H 1.55 . 2 1087 348 119 LEU HD1 H 0.79 . 1 1088 348 119 LEU HD2 H 0.79 . 1 1089 348 119 LEU C C 176.1 . 1 1090 348 119 LEU CA C 55.5 . 1 1091 348 119 LEU CB C 42.1 . 1 1092 348 119 LEU CD1 C 24.5 . 2 1093 348 119 LEU CD2 C 24.5 . 2 1094 348 119 LEU N N 120.5 . 1 1095 349 120 LYS H H 8.01 . 1 1096 349 120 LYS HA H 4.29 . 1 1097 349 120 LYS HB2 H 1.79 . 2 1098 349 120 LYS HB3 H 1.79 . 2 1099 349 120 LYS HG2 H 1.43 . 2 1100 349 120 LYS HG3 H 1.43 . 2 1101 349 120 LYS C C 175.5 . 1 1102 349 120 LYS CA C 56.4 . 1 1103 349 120 LYS CB C 32.6 . 1 1104 349 120 LYS N N 122 . 1 1105 350 121 VAL H H 7.91 . 1 1106 350 121 VAL HA H 4.12 . 1 1107 350 121 VAL HB H 2.1 . 1 1108 350 121 VAL HG1 H 0.88 . 2 1109 350 121 VAL HG2 H 0.88 . 2 1110 350 121 VAL C C 175 . 1 1111 350 121 VAL CA C 61.9 . 1 1112 350 121 VAL CB C 33.4 . 1 1113 350 121 VAL CG1 C 22.5 . 2 1114 350 121 VAL CG2 C 22.5 . 2 1115 350 121 VAL N N 120.2 . 1 1116 351 122 LYS H H 8.26 . 1 1117 351 122 LYS HA H 4.36 . 1 1118 351 122 LYS HB2 H 1.74 . 2 1119 351 122 LYS HB3 H 1.74 . 2 1120 351 122 LYS HG2 H 1.4 . 2 1121 351 122 LYS HG3 H 1.4 . 2 1122 351 122 LYS C C 176.5 . 1 1123 351 122 LYS CA C 55.8 . 1 1124 351 122 LYS CB C 33.6 . 1 1125 351 122 LYS N N 125.4 . 1 1126 352 123 LYS H H 8.25 . 1 1127 352 123 LYS HA H 4.35 . 1 1128 352 123 LYS HB2 H 1.37 . 2 1129 352 123 LYS HB3 H 1.37 . 2 1130 352 123 LYS C C 175.3 . 1 1131 352 123 LYS CA C 56.8 . 1 1132 352 123 LYS CB C 32.7 . 1 1133 352 123 LYS N N 123.7 . 1 1134 353 124 GLN H H 8.62 . 1 1135 353 124 GLN HA H 4.66 . 1 1136 353 124 GLN HB2 H 2.13 . 2 1137 353 124 GLN HB3 H 2.02 . 2 1138 353 124 GLN HE21 H 7.66 . 2 1139 353 124 GLN HE22 H 6.61 . 2 1140 353 124 GLN HG2 H 2.43 . 2 1141 353 124 GLN HG3 H 2.15 . 2 1142 353 124 GLN C C 173 . 1 1143 353 124 GLN CA C 54.6 . 1 1144 353 124 GLN CB C 31.8 . 1 1145 353 124 GLN CG C 33 . 1 1146 353 124 GLN N N 123.1 . 1 1147 353 124 GLN NE2 N 111.4 . 1 1148 354 125 ASP H H 8.27 . 1 1149 354 125 ASP HA H 4.95 . 1 1150 354 125 ASP HB2 H 2.75 . 2 1151 354 125 ASP HB3 H 2.45 . 2 1152 354 125 ASP C C 175.2 . 1 1153 354 125 ASP CA C 53.3 . 1 1154 354 125 ASP CB C 42.4 . 1 1155 354 125 ASP N N 175.2 . 1 1156 355 126 ARG H H 8.34 . 1 1157 355 126 ARG HA H 3.5 . 1 1158 355 126 ARG HB2 H 1.07 . 2 1159 355 126 ARG HB3 H 0.16 . 2 1160 355 126 ARG HD2 H 2.3 . 2 1161 355 126 ARG HD3 H 2.09 . 2 1162 355 126 ARG HG2 H 0.57 . 2 1163 355 126 ARG HG3 H 0.34 . 2 1164 355 126 ARG C C 174.4 . 1 1165 355 126 ARG CA C 56.6 . 1 1166 355 126 ARG CB C 30.3 . 1 1167 355 126 ARG CD C 43.9 . 1 1168 355 126 ARG N N 124.6 . 1 1169 356 127 ILE H H 8.81 . 1 1170 356 127 ILE HA H 4.11 . 1 1171 356 127 ILE HB H 1.47 . 1 1172 356 127 ILE HD1 H 0.75 . 1 1173 356 127 ILE HG12 H 1.07 . 2 1174 356 127 ILE HG13 H 1.07 . 2 1175 356 127 ILE HG2 H 0.84 . 1 1176 356 127 ILE C C 174.3 . 1 1177 356 127 ILE CA C 60.6 . 1 1178 356 127 ILE CB C 39.2 . 1 1179 356 127 ILE CD1 C 13.71 . 1 1180 356 127 ILE CG2 C 17.88 . 1 1181 356 127 ILE N N 127.8 . 1 1182 357 128 PHE H H 8.69 . 1 1183 357 128 PHE HA H 4.83 . 1 1184 357 128 PHE HB2 H 3.12 . 2 1185 357 128 PHE HB3 H 2.68 . 2 1186 357 128 PHE HD1 H 7.34 . 3 1187 357 128 PHE HD2 H 7.34 . 3 1188 357 128 PHE HE1 H 7.19 . 3 1189 357 128 PHE HE2 H 7.19 . 3 1190 357 128 PHE CA C 55.8 . 1 1191 357 128 PHE CB C 40.4 . 1 1192 357 128 PHE N N 125.5 . 1 1193 359 130 PRO C C 176.3 . 1 1194 360 131 GLU H H 8.66 . 1 1195 360 131 GLU HA H 4.33 . 1 1196 360 131 GLU HB2 H 2.07 . 2 1197 360 131 GLU HB3 H 1.99 . 2 1198 360 131 GLU HG2 H 2.31 . 2 1199 360 131 GLU HG3 H 2.31 . 2 1200 360 131 GLU C C 176.2 . 1 1201 360 131 GLU CA C 56.9 . 1 1202 360 131 GLU CB C 30.2 . 1 1203 360 131 GLU N N 121.1 . 1 1204 361 132 THR H H 8.26 . 1 1205 361 132 THR HA H 4.41 . 1 1206 361 132 THR HG2 H 1.22 . . 1207 361 132 THR C C 174 . 1 1208 361 132 THR CA C 61.9 . 1 1209 361 132 THR CB C 69.9 . 1 1210 361 132 THR N N 115.3 . 1 1211 362 133 SER H H 8.33 . 1 1212 362 133 SER HA H 4.44 . 1 1213 362 133 SER HB2 H 3.89 . 2 1214 362 133 SER HB3 H 3.89 . 2 1215 362 133 SER C C 173.6 . 1 1216 362 133 SER CA C 58.4 . 1 1217 362 133 SER CB C 63.8 . 1 1218 362 133 SER N N 118.4 . 1 1219 363 134 ALA H H 8.33 . 1 1220 363 134 ALA HA H 4.36 . 1 1221 363 134 ALA HB H 1.4 . 1 1222 363 134 ALA C C 177.1 . 1 1223 363 134 ALA CA C 52.7 . 1 1224 363 134 ALA CB C 19.5 . 1 1225 363 134 ALA N N 126.4 . 1 1226 364 135 SER H H 8.25 . 1 1227 364 135 SER HA H 4.47 . 1 1228 364 135 SER HB2 H 3.86 . 2 1229 364 135 SER HB3 H 3.86 . 2 1230 364 135 SER C C 173.9 . 1 1231 364 135 SER CA C 58.4 . 1 1232 364 135 SER CB C 63.8 . 1 1233 364 135 SER N N 115.5 . 1 1234 365 136 VAL H H 8.05 . 1 1235 365 136 VAL HA H 4.15 . 1 1236 365 136 VAL HB H 2.08 . 1 1237 365 136 VAL HG1 H 0.94 . 2 1238 365 136 VAL HG2 H 0.94 . 2 1239 365 136 VAL C C 175.1 . 1 1240 365 136 VAL CA C 62.2 . 1 1241 365 136 VAL CB C 32.9 . 1 1242 365 136 VAL N N 122 . 1 1243 366 137 ALA H H 8.29 . 1 1244 366 137 ALA HA H 4.31 . 1 1245 366 137 ALA HB H 1.38 . 1 1246 366 137 ALA C C 176.5 . 1 1247 366 137 ALA CA C 52.3 . 1 1248 366 137 ALA CB C 19.4 . 1 1249 366 137 ALA N N 127.7 . 1 1250 367 138 ALA H H 8.24 . 1 1251 367 138 ALA HA H 4.36 . 1 1252 367 138 ALA HB H 1.4 . 1 1253 367 138 ALA C C 176.9 . 1 1254 367 138 ALA CA C 52.3 . 1 1255 367 138 ALA CB C 19.5 . 1 1256 367 138 ALA N N 123.9 . 1 1257 368 139 THR H H 8.15 . 1 1258 368 139 THR HA H 4.57 . 1 1259 368 139 THR HB H 4.12 . 1 1260 368 139 THR HG2 H 1.25 . . 1261 368 139 THR CA C 59.8 . 1 1262 368 139 THR CB C 69.8 . 1 1263 368 139 THR N N 116.8 . 1 1264 371 142 PRO C C 176.2 . 1 1265 371 142 PRO CA C 63 . 1 1266 371 142 PRO CB C 32.3 . 1 1267 372 143 SER H H 8.45 . 1 1268 372 143 SER HA H 4.5 . 1 1269 372 143 SER HB2 H 3.91 . 2 1270 372 143 SER HB3 H 3.91 . 2 1271 372 143 SER C C 173.3 . 1 1272 372 143 SER CA C 58.3 . 1 1273 372 143 SER CB C 64 . 1 1274 372 143 SER N N 117.1 . 1 1275 373 144 THR H H 7.8 . 1 1276 373 144 THR HA H 4.17 . 1 1277 373 144 THR HG2 H 1.08 . . 1278 373 144 THR CA C 63 . 1 1279 373 144 THR CB C 70.8 . 1 1280 373 144 THR N N 121.3 . 1 stop_ save_