data_25893 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N chemical shift assignments for PARP-1 F3 domain ; _BMRB_accession_number 25893 _BMRB_flat_file_name bmr25893.str _Entry_type original _Submission_date 2015-10-08 _Accession_date 2015-10-14 _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 Neuhaus David . . 2 Eustermann Sebastian . . 3 Yang Ji-Chun . . 4 Wu Wing-Fung . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 924 "13C chemical shifts" 545 "15N chemical shifts" 162 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-10-07 update author 'update entry title, etc.' 2016-07-22 update BMRB 'update entry citation' 2015-11-25 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 25888 'F1F2-DNA complex' 25889 'F1F2 free' 25890 'DNA free' 25891 'F1F2F3-DNA complex' 25892 'F1F2F3 free' 25894 'F1F2F3-WGR-DNA complex' 25895 'WGR free' stop_ _Original_release_date 2015-11-25 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural basis of detection and signaling of DNA single-strand breaks by human PARP 1 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26626479 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Eustermann Sebastian . . 2 Wu Wing-Fung . . 3 Langelier Marie-France . . 4 Yang Ji-Chun . . 5 Easton Laura E. . 6 Riccio Amanda . . 7 Pascal John M. . 8 Neuhaus David . . stop_ _Journal_abbreviation 'Mol. Cell' _Journal_volume 60 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 742 _Page_last 754 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly_f3_free _Saveframe_category molecular_system _Mol_system_name PARP-1_F3 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PARP-1_215-362 $PARP-1_215-362 ZN3 $entity_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_PARP-1_215-362 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PARP-1_215-362 _Molecular_mass . _Mol_thiol_state 'free and other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 162 _Mol_residue_sequence ; GPLGSGVDEVAKKKSKKEKD KDSKLEKALKAQNDLIWNIK DELKKVCSTNDLKELLIFNK QQVPSGESAILDRVADGMVF GALLPCEECSGQLVFKSDAY YCTGDVTAWTKCMVKTQTPN RKEWVTPKEFREISYLKKLK VKKQDRIFPPETSNSSGRIV TD ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 210 GLY 2 211 PRO 3 212 LEU 4 213 GLY 5 214 SER 6 215 GLY 7 216 VAL 8 217 ASP 9 218 GLU 10 219 VAL 11 220 ALA 12 221 LYS 13 222 LYS 14 223 LYS 15 224 SER 16 225 LYS 17 226 LYS 18 227 GLU 19 228 LYS 20 229 ASP 21 230 LYS 22 231 ASP 23 232 SER 24 233 LYS 25 234 LEU 26 235 GLU 27 236 LYS 28 237 ALA 29 238 LEU 30 239 LYS 31 240 ALA 32 241 GLN 33 242 ASN 34 243 ASP 35 244 LEU 36 245 ILE 37 246 TRP 38 247 ASN 39 248 ILE 40 249 LYS 41 250 ASP 42 251 GLU 43 252 LEU 44 253 LYS 45 254 LYS 46 255 VAL 47 256 CYS 48 257 SER 49 258 THR 50 259 ASN 51 260 ASP 52 261 LEU 53 262 LYS 54 263 GLU 55 264 LEU 56 265 LEU 57 266 ILE 58 267 PHE 59 268 ASN 60 269 LYS 61 270 GLN 62 271 GLN 63 272 VAL 64 273 PRO 65 274 SER 66 275 GLY 67 276 GLU 68 277 SER 69 278 ALA 70 279 ILE 71 280 LEU 72 281 ASP 73 282 ARG 74 283 VAL 75 284 ALA 76 285 ASP 77 286 GLY 78 287 MET 79 288 VAL 80 289 PHE 81 290 GLY 82 291 ALA 83 292 LEU 84 293 LEU 85 294 PRO 86 295 CYS 87 296 GLU 88 297 GLU 89 298 CYS 90 299 SER 91 300 GLY 92 301 GLN 93 302 LEU 94 303 VAL 95 304 PHE 96 305 LYS 97 306 SER 98 307 ASP 99 308 ALA 100 309 TYR 101 310 TYR 102 311 CYS 103 312 THR 104 313 GLY 105 314 ASP 106 315 VAL 107 316 THR 108 317 ALA 109 318 TRP 110 319 THR 111 320 LYS 112 321 CYS 113 322 MET 114 323 VAL 115 324 LYS 116 325 THR 117 326 GLN 118 327 THR 119 328 PRO 120 329 ASN 121 330 ARG 122 331 LYS 123 332 GLU 124 333 TRP 125 334 VAL 126 335 THR 127 336 PRO 128 337 LYS 129 338 GLU 130 339 PHE 131 340 ARG 132 341 GLU 133 342 ILE 134 343 SER 135 344 TYR 136 345 LEU 137 346 LYS 138 347 LYS 139 348 LEU 140 349 LYS 141 350 VAL 142 351 LYS 143 352 LYS 144 353 GLN 145 354 ASP 146 355 ARG 147 356 ILE 148 357 PHE 149 358 PRO 150 359 PRO 151 360 GLU 152 361 THR 153 362 SER 154 363 ASN 155 364 SER 156 365 SER 157 366 GLY 158 367 ARG 159 368 ILE 160 369 VAL 161 370 THR 162 371 ASP 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 $PARP-1_215-362 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 _Variant _Vector_name $PARP-1_215-362 'recombinant technology' . Escherichia coli BL21 DE3 Pet13 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'PARP-1 F3 free protein. Uniformly 13C,15N labelled' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PARP-1_215-362 0.2 mM '[U-13C; U-15N]' TRIS 50 mM [U-2H] DTT 1 mM [U-2H] ZnSO4 0.1 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % [U-2H] 'sodium chloride' 200 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.115 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ save_Analysis _Saveframe_category software _Name Analysis _Version 2.4.1 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_av800 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance I' _Field_strength 800 _Details . save_ save_av700 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance II+' _Field_strength 700 _Details . save_ save_dmx600 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ save_drx500 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _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_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_(constant_time)_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic (constant time)' _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_CBCANH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCANH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHANH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHANH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY-HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY-HSQC' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY-HSQC_aliphatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY-HSQC aliphatic' _Sample_label $sample_1 save_ save_3D_HC[C]H-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HC[C]H-TOCSY' _Sample_label $sample_1 save_ save_3D_[H]CCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D [H]CCH-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' 0.25 . M pH 7.2 . 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 TSP C 13 'methyl protons' ppm 0.0 external indirect . 'separate tube (no insert) similar to the experimental sample tube' . 0.251449530 TSP H 1 'methyl protons' ppm 0.0 external direct . 'separate tube (no insert) similar to the experimental sample tube' . 1.0 TSP N 15 'methyl protons' ppm 0.0 external indirect . 'separate tube (no insert) similar to the experimental sample tube' . 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_free_F3 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D 1H-13C HSQC aliphatic (constant time)' '3D CBCA(CO)NH' '3D CBCANH' '3D HBHA(CO)NH' '3D HBHANH' '3D 1H-15N NOESY-HSQC' '3D 1H-13C NOESY-HSQC aliphatic' '3D HC[C]H-TOCSY' '3D [H]CCH-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 PARP-1_215-362 _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 1 210 1 GLY HA2 H 3.973 0.020 2 2 210 1 GLY HA3 H 4.002 0.020 2 3 210 1 GLY CA C 43.743 0.100 1 4 211 2 PRO HA H 4.491 0.020 1 5 211 2 PRO HB2 H 1.959 0.020 2 6 211 2 PRO HB3 H 2.336 0.020 2 7 211 2 PRO HD2 H 3.584 0.020 2 8 211 2 PRO HD3 H 3.612 0.020 2 9 211 2 PRO HG2 H 2.030 0.020 2 10 211 2 PRO HG3 H 2.030 0.020 2 11 211 2 PRO CA C 63.326 0.100 1 12 211 2 PRO CB C 32.438 0.100 1 13 211 2 PRO CD C 49.824 0.100 1 14 211 2 PRO CG C 27.164 0.100 1 15 212 3 LEU H H 8.513 0.020 1 16 212 3 LEU HA H 4.371 0.020 1 17 212 3 LEU HB2 H 1.622 0.020 2 18 212 3 LEU HB3 H 1.710 0.020 2 19 212 3 LEU HD1 H 0.907 0.020 2 20 212 3 LEU HD2 H 0.947 0.020 2 21 212 3 LEU CA C 55.593 0.100 1 22 212 3 LEU CB C 42.334 0.100 1 23 212 3 LEU CD1 C 23.585 0.100 2 24 212 3 LEU CD2 C 25.015 0.100 2 25 212 3 LEU CG C 27.037 0.100 1 26 212 3 LEU N N 122.373 0.100 1 27 213 4 GLY H H 8.399 0.020 1 28 213 4 GLY HA2 H 3.973 0.020 2 29 213 4 GLY HA3 H 4.046 0.020 2 30 213 4 GLY CA C 45.488 0.100 1 31 213 4 GLY N N 110.116 0.100 1 32 214 5 SER H H 8.285 0.020 1 33 214 5 SER HA H 4.487 0.020 1 34 214 5 SER HB2 H 3.888 0.020 2 35 214 5 SER HB3 H 3.927 0.020 2 36 214 5 SER CA C 58.615 0.100 1 37 214 5 SER CB C 64.151 0.100 1 38 214 5 SER N N 115.823 0.100 1 39 215 6 GLY H H 8.556 0.020 1 40 215 6 GLY HA2 H 4.011 0.020 2 41 215 6 GLY HA3 H 4.011 0.020 2 42 215 6 GLY CA C 45.662 0.100 1 43 215 6 GLY N N 111.335 0.100 1 44 216 7 VAL H H 7.948 0.020 1 45 216 7 VAL HA H 4.128 0.020 1 46 216 7 VAL HB H 2.096 0.020 1 47 216 7 VAL HG1 H 0.917 0.020 2 48 216 7 VAL HG2 H 0.935 0.020 2 49 216 7 VAL CA C 62.545 0.100 1 50 216 7 VAL CB C 32.840 0.100 1 51 216 7 VAL CG1 C 20.412 0.100 2 52 216 7 VAL CG2 C 21.292 0.100 2 53 216 7 VAL N N 118.918 0.100 1 54 217 8 ASP H H 8.372 0.020 1 55 217 8 ASP HA H 4.615 0.020 1 56 217 8 ASP HB2 H 2.615 0.020 2 57 217 8 ASP HB3 H 2.726 0.020 2 58 217 8 ASP CA C 54.597 0.100 1 59 217 8 ASP CB C 41.267 0.100 1 60 217 8 ASP N N 123.476 0.100 1 61 218 9 GLU H H 8.275 0.020 1 62 218 9 GLU HA H 4.226 0.020 1 63 218 9 GLU HB2 H 1.975 0.020 2 64 218 9 GLU HB3 H 2.058 0.020 2 65 218 9 GLU HG2 H 2.243 0.020 2 66 218 9 GLU HG3 H 2.282 0.020 2 67 218 9 GLU CA C 57.274 0.100 1 68 218 9 GLU CB C 30.331 0.100 1 69 218 9 GLU CG C 36.384 0.100 1 70 218 9 GLU N N 121.619 0.100 1 71 219 10 VAL H H 8.057 0.020 1 72 219 10 VAL HA H 3.970 0.020 1 73 219 10 VAL HB H 2.114 0.020 1 74 219 10 VAL HG1 H 0.953 0.020 2 75 219 10 VAL HG2 H 0.984 0.020 2 76 219 10 VAL CA C 63.479 0.100 1 77 219 10 VAL CB C 32.394 0.100 1 78 219 10 VAL CG1 C 21.292 0.100 2 79 219 10 VAL CG2 C 21.223 0.100 2 80 219 10 VAL N N 120.879 0.100 1 81 220 11 ALA H H 8.187 0.020 1 82 220 11 ALA HA H 4.252 0.020 1 83 220 11 ALA HB H 1.411 0.020 1 84 220 11 ALA CA C 53.182 0.100 1 85 220 11 ALA CB C 19.100 0.100 1 86 220 11 ALA N N 126.117 0.100 1 87 221 12 LYS H H 8.079 0.020 1 88 221 12 LYS HA H 4.244 0.020 1 89 221 12 LYS HB2 H 1.802 0.020 2 90 221 12 LYS HB3 H 1.876 0.020 2 91 221 12 LYS HD2 H 1.692 0.020 2 92 221 12 LYS HD3 H 1.692 0.020 2 93 221 12 LYS HE2 H 3.001 0.020 2 94 221 12 LYS HE3 H 3.001 0.020 2 95 221 12 LYS HG2 H 1.495 0.020 2 96 221 12 LYS HG3 H 1.495 0.020 2 97 221 12 LYS CA C 56.981 0.100 1 98 221 12 LYS CB C 33.006 0.100 1 99 221 12 LYS CD C 29.202 0.100 1 100 221 12 LYS CE C 42.260 0.100 1 101 221 12 LYS CG C 24.885 0.100 1 102 221 12 LYS N N 120.014 0.100 1 103 222 13 LYS H H 8.134 0.020 1 104 222 13 LYS HA H 4.280 0.020 1 105 222 13 LYS HB2 H 1.842 0.020 2 106 222 13 LYS CA C 56.857 0.100 1 107 222 13 LYS CB C 33.002 0.100 1 108 222 13 LYS N N 122.004 0.100 1 109 223 14 LYS H H 8.255 0.020 1 110 223 14 LYS HA H 4.322 0.020 1 111 223 14 LYS HB2 H 1.800 0.020 2 112 223 14 LYS HB3 H 1.863 0.020 2 113 223 14 LYS CA C 56.748 0.100 1 114 223 14 LYS CB C 33.239 0.100 1 115 223 14 LYS N N 122.535 0.100 1 116 224 15 SER H H 8.338 0.020 1 117 224 15 SER HA H 4.447 0.020 1 118 224 15 SER HB2 H 3.981 0.020 2 119 224 15 SER CA C 58.409 0.100 1 120 224 15 SER CB C 64.200 0.100 1 121 224 15 SER N N 117.385 0.100 1 122 225 16 LYS HA H 4.278 0.020 1 123 225 16 LYS HB2 H 1.824 0.020 2 124 225 16 LYS CA C 57.154 0.100 1 125 225 16 LYS CB C 33.023 0.100 1 126 226 17 LYS H H 8.288 0.020 1 127 226 17 LYS HA H 4.275 0.020 1 128 226 17 LYS HB2 H 1.832 0.020 2 129 226 17 LYS HB3 H 1.888 0.020 2 130 226 17 LYS CA C 57.212 0.100 1 131 226 17 LYS CB C 33.016 0.100 1 132 226 17 LYS N N 122.091 0.100 1 133 227 18 GLU H H 8.264 0.020 1 134 227 18 GLU HA H 4.263 0.020 1 135 227 18 GLU HB2 H 1.980 0.020 2 136 227 18 GLU HB3 H 2.047 0.020 2 137 227 18 GLU CA C 57.146 0.100 1 138 227 18 GLU CB C 30.388 0.100 1 139 227 18 GLU N N 121.851 0.100 1 140 228 19 LYS H H 8.341 0.020 1 141 228 19 LYS HA H 4.241 0.020 1 142 228 19 LYS HB2 H 1.850 0.020 2 143 228 19 LYS CA C 57.269 0.100 1 144 228 19 LYS CB C 32.930 0.100 1 145 228 19 LYS N N 121.838 0.100 1 146 229 20 ASP H H 8.385 0.020 1 147 229 20 ASP HA H 4.570 0.020 1 148 229 20 ASP HB2 H 2.749 0.020 2 149 229 20 ASP HB3 H 2.695 0.020 2 150 229 20 ASP CA C 55.182 0.100 1 151 229 20 ASP CB C 41.154 0.100 1 152 229 20 ASP N N 121.317 0.100 1 153 230 21 LYS H H 8.149 0.020 1 154 230 21 LYS HA H 4.225 0.020 1 155 230 21 LYS HB2 H 1.856 0.020 2 156 230 21 LYS CA C 57.613 0.100 1 157 230 21 LYS CB C 32.953 0.100 1 158 230 21 LYS N N 121.479 0.100 1 159 231 22 ASP H H 8.377 0.020 1 160 231 22 ASP HA H 4.650 0.020 1 161 231 22 ASP HB2 H 2.688 0.020 2 162 231 22 ASP HB3 H 2.786 0.020 2 163 231 22 ASP CA C 55.238 0.100 1 164 231 22 ASP CB C 41.162 0.100 1 165 231 22 ASP N N 121.406 0.100 1 166 232 23 SER H H 8.410 0.020 1 167 232 23 SER HA H 4.412 0.020 1 168 232 23 SER HB2 H 4.000 0.020 2 169 232 23 SER HB3 H 4.097 0.020 2 170 232 23 SER CA C 59.809 0.100 1 171 232 23 SER CB C 63.697 0.100 1 172 232 23 SER N N 117.580 0.100 1 173 233 24 LYS H H 8.341 0.020 1 174 233 24 LYS HA H 4.076 0.020 1 175 233 24 LYS CA C 59.538 0.100 1 176 233 24 LYS CB C 32.457 0.100 1 177 233 24 LYS N N 122.745 0.100 1 178 234 25 LEU H H 8.105 0.020 1 179 234 25 LEU HA H 4.230 0.020 1 180 234 25 LEU HB2 H 1.742 0.020 2 181 234 25 LEU HB3 H 1.775 0.020 2 182 234 25 LEU HD1 H 0.967 0.020 2 183 234 25 LEU HD2 H 0.994 0.020 2 184 234 25 LEU HG H 1.680 0.020 1 185 234 25 LEU CA C 57.914 0.100 1 186 234 25 LEU CB C 41.781 0.100 1 187 234 25 LEU CD1 C 24.730 0.100 2 188 234 25 LEU CD2 C 24.649 0.100 2 189 234 25 LEU CG C 27.488 0.100 1 190 234 25 LEU N N 122.028 0.100 1 191 235 26 GLU H H 8.169 0.020 1 192 235 26 GLU HA H 3.954 0.020 1 193 235 26 GLU HB2 H 2.160 0.020 2 194 235 26 GLU HB3 H 2.098 0.020 2 195 235 26 GLU HG2 H 2.281 0.020 2 196 235 26 GLU HG3 H 2.377 0.020 2 197 235 26 GLU CA C 60.016 0.100 1 198 235 26 GLU CB C 29.546 0.100 1 199 235 26 GLU CG C 36.719 0.100 1 200 235 26 GLU N N 119.331 0.100 1 201 236 27 LYS H H 8.103 0.020 1 202 236 27 LYS HA H 4.064 0.020 1 203 236 27 LYS HB2 H 1.914 0.020 2 204 236 27 LYS HB3 H 1.945 0.020 2 205 236 27 LYS HE2 H 3.008 0.020 2 206 236 27 LYS HE3 H 3.008 0.020 2 207 236 27 LYS HG2 H 1.458 0.020 2 208 236 27 LYS HG3 H 1.601 0.020 2 209 236 27 LYS CA C 59.714 0.100 1 210 236 27 LYS CB C 32.512 0.100 1 211 236 27 LYS CD C 29.202 0.100 1 212 236 27 LYS CE C 42.294 0.100 1 213 236 27 LYS CG C 25.380 0.100 1 214 236 27 LYS N N 119.491 0.100 1 215 237 28 ALA H H 8.054 0.020 1 216 237 28 ALA HA H 4.218 0.020 1 217 237 28 ALA HB H 1.542 0.020 1 218 237 28 ALA CA C 55.076 0.100 1 219 237 28 ALA CB C 18.450 0.100 1 220 237 28 ALA N N 123.994 0.100 1 221 238 29 LEU H H 8.704 0.020 1 222 238 29 LEU HA H 3.928 0.020 1 223 238 29 LEU HB2 H 1.618 0.020 2 224 238 29 LEU HB3 H 1.807 0.020 2 225 238 29 LEU HD1 H 0.822 0.020 2 226 238 29 LEU HD2 H 0.831 0.020 2 227 238 29 LEU CA C 58.227 0.100 1 228 238 29 LEU CB C 41.915 0.100 1 229 238 29 LEU CD1 C 25.385 0.100 2 230 238 29 LEU CD2 C 24.384 0.100 2 231 238 29 LEU N N 122.182 0.100 1 232 239 30 LYS H H 7.931 0.020 1 233 239 30 LYS HA H 4.062 0.020 1 234 239 30 LYS HB2 H 1.942 0.020 2 235 239 30 LYS HB3 H 1.942 0.020 2 236 239 30 LYS HD2 H 1.656 0.020 2 237 239 30 LYS HE2 H 3.006 0.020 2 238 239 30 LYS HE3 H 3.006 0.020 2 239 239 30 LYS HG2 H 1.554 0.020 2 240 239 30 LYS HG3 H 1.554 0.020 2 241 239 30 LYS CA C 59.810 0.100 1 242 239 30 LYS CB C 32.339 0.100 1 243 239 30 LYS CD C 29.251 0.100 1 244 239 30 LYS CE C 42.189 0.100 1 245 239 30 LYS CG C 25.328 0.100 1 246 239 30 LYS N N 120.289 0.100 1 247 240 31 ALA H H 7.948 0.020 1 248 240 31 ALA HA H 4.223 0.020 1 249 240 31 ALA HB H 1.539 0.020 1 250 240 31 ALA CA C 55.179 0.100 1 251 240 31 ALA CB C 17.940 0.100 1 252 240 31 ALA N N 120.189 0.100 1 253 241 32 GLN H H 8.023 0.020 1 254 241 32 GLN HA H 4.129 0.020 1 255 241 32 GLN HB2 H 2.266 0.020 2 256 241 32 GLN HB3 H 2.338 0.020 2 257 241 32 GLN HE21 H 7.962 0.020 1 258 241 32 GLN HE22 H 7.400 0.020 1 259 241 32 GLN HG2 H 2.363 0.020 2 260 241 32 GLN HG3 H 2.389 0.020 2 261 241 32 GLN CA C 59.620 0.100 1 262 241 32 GLN CB C 31.242 0.100 1 263 241 32 GLN CG C 35.857 0.100 1 264 241 32 GLN N N 120.214 0.100 1 265 241 32 GLN NE2 N 111.764 0.100 1 266 242 33 ASN H H 8.583 0.020 1 267 242 33 ASN HA H 4.495 0.020 1 268 242 33 ASN HB2 H 2.779 0.020 2 269 242 33 ASN HB3 H 2.966 0.020 2 270 242 33 ASN HD21 H 7.647 0.020 1 271 242 33 ASN HD22 H 6.815 0.020 1 272 242 33 ASN CA C 56.201 0.100 1 273 242 33 ASN CB C 37.810 0.100 1 274 242 33 ASN N N 118.939 0.100 1 275 242 33 ASN ND2 N 112.226 0.100 1 276 243 34 ASP H H 8.725 0.020 1 277 243 34 ASP HA H 4.527 0.020 1 278 243 34 ASP HB2 H 2.670 0.020 2 279 243 34 ASP HB3 H 2.800 0.020 2 280 243 34 ASP CA C 57.550 0.100 1 281 243 34 ASP CB C 40.315 0.100 1 282 243 34 ASP N N 122.124 0.100 1 283 244 35 LEU H H 7.816 0.020 1 284 244 35 LEU HA H 4.204 0.020 1 285 244 35 LEU HB2 H 1.702 0.020 2 286 244 35 LEU HB3 H 2.088 0.020 2 287 244 35 LEU HD1 H 0.855 0.020 2 288 244 35 LEU HD2 H 0.943 0.020 2 289 244 35 LEU CA C 58.671 0.100 1 290 244 35 LEU CB C 41.694 0.100 1 291 244 35 LEU CD1 C 26.484 0.100 2 292 244 35 LEU CD2 C 23.789 0.100 2 293 244 35 LEU N N 122.922 0.100 1 294 245 36 ILE H H 8.063 0.020 1 295 245 36 ILE HA H 3.408 0.020 1 296 245 36 ILE HB H 2.016 0.020 1 297 245 36 ILE HD1 H 0.816 0.020 1 298 245 36 ILE HG12 H 1.736 0.020 2 299 245 36 ILE HG13 H 1.025 0.020 2 300 245 36 ILE HG2 H 0.831 0.020 1 301 245 36 ILE CA C 65.215 0.100 1 302 245 36 ILE CB C 37.647 0.100 1 303 245 36 ILE CD1 C 12.527 0.100 1 304 245 36 ILE CG1 C 29.349 0.100 1 305 245 36 ILE CG2 C 17.495 0.100 1 306 245 36 ILE N N 118.580 0.100 1 307 246 37 TRP H H 8.386 0.020 1 308 246 37 TRP HA H 4.039 0.020 1 309 246 37 TRP HB2 H 3.389 0.020 2 310 246 37 TRP HB3 H 3.462 0.020 2 311 246 37 TRP HD1 H 7.270 0.020 1 312 246 37 TRP HE1 H 10.032 0.020 1 313 246 37 TRP HE3 H 7.655 0.020 1 314 246 37 TRP HH2 H 7.189 0.020 1 315 246 37 TRP HZ2 H 7.473 0.020 1 316 246 37 TRP HZ3 H 7.127 0.020 1 317 246 37 TRP CA C 62.109 0.100 1 318 246 37 TRP CB C 28.964 0.100 1 319 246 37 TRP CD1 C 127.557 0.100 1 320 246 37 TRP CE3 C 120.848 0.100 1 321 246 37 TRP CH2 C 124.623 0.100 1 322 246 37 TRP CZ2 C 114.543 0.100 1 323 246 37 TRP CZ3 C 121.792 0.100 1 324 246 37 TRP N N 119.607 0.100 1 325 246 37 TRP NE1 N 129.077 0.100 1 326 247 38 ASN H H 8.418 0.020 1 327 247 38 ASN HA H 4.329 0.020 1 328 247 38 ASN HB2 H 2.460 0.020 2 329 247 38 ASN HB3 H 2.909 0.020 2 330 247 38 ASN HD21 H 7.338 0.020 1 331 247 38 ASN HD22 H 6.992 0.020 1 332 247 38 ASN CA C 56.810 0.100 1 333 247 38 ASN CB C 38.657 0.100 1 334 247 38 ASN N N 118.223 0.100 1 335 247 38 ASN ND2 N 112.710 0.100 1 336 248 39 ILE H H 8.375 0.020 1 337 248 39 ILE HA H 3.670 0.020 1 338 248 39 ILE HB H 1.864 0.020 1 339 248 39 ILE HD1 H 0.571 0.020 1 340 248 39 ILE HG12 H 1.100 0.020 2 341 248 39 ILE HG13 H 1.492 0.020 2 342 248 39 ILE HG2 H 0.759 0.020 1 343 248 39 ILE CA C 64.888 0.100 1 344 248 39 ILE CB C 37.500 0.100 1 345 248 39 ILE CD1 C 13.818 0.100 1 346 248 39 ILE CG1 C 29.467 0.100 1 347 248 39 ILE CG2 C 17.383 0.100 1 348 248 39 ILE N N 120.918 0.100 1 349 249 40 LYS H H 8.209 0.020 1 350 249 40 LYS HA H 3.682 0.020 1 351 249 40 LYS HB2 H 1.584 0.020 2 352 249 40 LYS HB3 H 1.820 0.020 2 353 249 40 LYS HD2 H 1.515 0.020 2 354 249 40 LYS HD3 H 1.515 0.020 2 355 249 40 LYS HE2 H 2.657 0.020 2 356 249 40 LYS HE3 H 2.569 0.020 2 357 249 40 LYS HG2 H 0.990 0.020 2 358 249 40 LYS HG3 H 1.714 0.020 2 359 249 40 LYS CA C 61.465 0.100 1 360 249 40 LYS CB C 32.306 0.100 1 361 249 40 LYS CD C 29.957 0.100 1 362 249 40 LYS CG C 27.194 0.100 1 363 249 40 LYS N N 119.066 0.100 1 364 250 41 ASP H H 7.930 0.020 1 365 250 41 ASP HA H 4.093 0.020 1 366 250 41 ASP HB2 H 2.140 0.020 2 367 250 41 ASP HB3 H 2.492 0.020 2 368 250 41 ASP CA C 57.637 0.100 1 369 250 41 ASP CB C 41.865 0.100 1 370 250 41 ASP N N 117.844 0.100 1 371 251 42 GLU H H 7.840 0.020 1 372 251 42 GLU HA H 4.049 0.020 1 373 251 42 GLU HB2 H 1.990 0.020 2 374 251 42 GLU HB3 H 1.846 0.020 2 375 251 42 GLU HG2 H 2.281 0.020 2 376 251 42 GLU HG3 H 2.165 0.020 2 377 251 42 GLU CA C 59.310 0.100 1 378 251 42 GLU CB C 29.437 0.100 1 379 251 42 GLU CG C 36.250 0.100 1 380 251 42 GLU N N 118.192 0.100 1 381 252 43 LEU H H 8.778 0.020 1 382 252 43 LEU HA H 3.932 0.020 1 383 252 43 LEU HB2 H 1.136 0.020 2 384 252 43 LEU HB3 H 2.019 0.020 2 385 252 43 LEU HD1 H 0.713 0.020 2 386 252 43 LEU HD2 H 0.785 0.020 2 387 252 43 LEU HG H 1.902 0.020 1 388 252 43 LEU CA C 58.248 0.100 1 389 252 43 LEU CB C 42.691 0.100 1 390 252 43 LEU CD1 C 26.637 0.100 2 391 252 43 LEU CD2 C 22.760 0.100 2 392 252 43 LEU N N 119.332 0.100 1 393 253 44 LYS H H 7.791 0.020 1 394 253 44 LYS HA H 4.127 0.020 1 395 253 44 LYS HB2 H 1.875 0.020 2 396 253 44 LYS HD2 H 1.648 0.020 2 397 253 44 LYS HE2 H 2.913 0.020 2 398 253 44 LYS HE3 H 2.913 0.020 2 399 253 44 LYS HG2 H 1.511 0.020 2 400 253 44 LYS HG3 H 1.604 0.020 2 401 253 44 LYS CA C 58.557 0.100 1 402 253 44 LYS CB C 32.423 0.100 1 403 253 44 LYS CD C 29.331 0.100 1 404 253 44 LYS CE C 42.149 0.100 1 405 253 44 LYS CG C 25.292 0.100 1 406 253 44 LYS N N 115.434 0.100 1 407 254 45 LYS H H 7.367 0.020 1 408 254 45 LYS HA H 4.190 0.020 1 409 254 45 LYS HB2 H 1.943 0.020 2 410 254 45 LYS HB3 H 2.005 0.020 2 411 254 45 LYS HD2 H 1.679 0.020 2 412 254 45 LYS HD3 H 1.679 0.020 2 413 254 45 LYS HE2 H 2.918 0.020 2 414 254 45 LYS HE3 H 2.918 0.020 2 415 254 45 LYS HG2 H 1.393 0.020 2 416 254 45 LYS HG3 H 1.679 0.020 2 417 254 45 LYS CA C 58.726 0.100 1 418 254 45 LYS CB C 33.818 0.100 1 419 254 45 LYS CD C 29.582 0.100 1 420 254 45 LYS CE C 42.288 0.100 1 421 254 45 LYS CG C 25.613 0.100 1 422 254 45 LYS N N 116.284 0.100 1 423 255 46 VAL H H 7.577 0.020 1 424 255 46 VAL HA H 4.502 0.020 1 425 255 46 VAL HB H 2.289 0.020 1 426 255 46 VAL HG1 H 0.965 0.020 2 427 255 46 VAL HG2 H 1.086 0.020 2 428 255 46 VAL CA C 62.350 0.100 1 429 255 46 VAL CB C 34.008 0.100 1 430 255 46 VAL CG1 C 21.651 0.100 2 431 255 46 VAL CG2 C 19.634 0.100 2 432 255 46 VAL N N 110.249 0.100 1 433 256 47 CYS H H 8.255 0.020 1 434 256 47 CYS HA H 4.978 0.020 1 435 256 47 CYS HB2 H 2.930 0.020 2 436 256 47 CYS HB3 H 3.111 0.020 2 437 256 47 CYS CA C 58.740 0.100 1 438 256 47 CYS CB C 30.693 0.100 1 439 256 47 CYS N N 119.080 0.100 1 440 257 48 SER H H 9.299 0.020 1 441 257 48 SER HA H 4.761 0.020 1 442 257 48 SER HB2 H 4.049 0.020 2 443 257 48 SER HB3 H 4.413 0.020 2 444 257 48 SER CA C 56.646 0.100 1 445 257 48 SER CB C 66.046 0.100 1 446 257 48 SER N N 119.347 0.100 1 447 258 49 THR H H 8.956 0.020 1 448 258 49 THR HA H 3.943 0.020 1 449 258 49 THR HB H 4.156 0.020 1 450 258 49 THR HG2 H 1.314 0.020 1 451 258 49 THR CA C 67.525 0.100 1 452 258 49 THR CB C 68.123 0.100 1 453 258 49 THR CG2 C 23.311 0.100 1 454 258 49 THR N N 117.859 0.100 1 455 259 50 ASN H H 8.436 0.020 1 456 259 50 ASN HA H 4.394 0.020 1 457 259 50 ASN HB2 H 2.753 0.020 2 458 259 50 ASN HB3 H 2.851 0.020 2 459 259 50 ASN HD21 H 7.778 0.020 1 460 259 50 ASN HD22 H 7.046 0.020 1 461 259 50 ASN CA C 57.089 0.100 1 462 259 50 ASN CB C 38.289 0.100 1 463 259 50 ASN N N 119.222 0.100 1 464 259 50 ASN ND2 N 114.346 0.100 1 465 260 51 ASP H H 7.959 0.020 1 466 260 51 ASP HA H 4.425 0.020 1 467 260 51 ASP HB2 H 2.711 0.020 2 468 260 51 ASP HB3 H 3.243 0.020 2 469 260 51 ASP CA C 57.760 0.100 1 470 260 51 ASP CB C 40.952 0.100 1 471 260 51 ASP N N 121.242 0.100 1 472 261 52 LEU H H 7.761 0.020 1 473 261 52 LEU HA H 4.044 0.020 1 474 261 52 LEU HB2 H 1.357 0.020 2 475 261 52 LEU HB3 H 2.219 0.020 2 476 261 52 LEU HD1 H 0.889 0.020 2 477 261 52 LEU HD2 H 0.908 0.020 2 478 261 52 LEU HG H 2.002 0.020 1 479 261 52 LEU CA C 58.156 0.100 1 480 261 52 LEU CB C 41.873 0.100 1 481 261 52 LEU CD1 C 27.097 0.100 2 482 261 52 LEU CD2 C 24.328 0.100 2 483 261 52 LEU N N 117.812 0.100 1 484 262 53 LYS H H 8.210 0.020 1 485 262 53 LYS HA H 3.883 0.020 1 486 262 53 LYS HB2 H 1.934 0.020 2 487 262 53 LYS HB3 H 2.184 0.020 2 488 262 53 LYS HD2 H 1.786 0.020 2 489 262 53 LYS HD3 H 1.786 0.020 2 490 262 53 LYS HE2 H 2.864 0.020 2 491 262 53 LYS HE3 H 2.957 0.020 2 492 262 53 LYS HG2 H 1.287 0.020 2 493 262 53 LYS HG3 H 1.921 0.020 2 494 262 53 LYS CA C 61.202 0.100 1 495 262 53 LYS CB C 32.568 0.100 1 496 262 53 LYS CD C 30.136 0.100 1 497 262 53 LYS CE C 42.447 0.100 1 498 262 53 LYS CG C 26.401 0.100 1 499 262 53 LYS N N 117.986 0.100 1 500 263 54 GLU H H 8.030 0.020 1 501 263 54 GLU HA H 4.043 0.020 1 502 263 54 GLU HB2 H 2.245 0.020 2 503 263 54 GLU HB3 H 2.376 0.020 2 504 263 54 GLU HG2 H 2.380 0.020 2 505 263 54 GLU HG3 H 2.546 0.020 2 506 263 54 GLU CA C 59.604 0.100 1 507 263 54 GLU CB C 29.092 0.100 1 508 263 54 GLU CG C 36.380 0.100 1 509 263 54 GLU N N 117.207 0.100 1 510 264 55 LEU H H 8.029 0.020 1 511 264 55 LEU HA H 3.900 0.020 1 512 264 55 LEU HB2 H 1.716 0.020 2 513 264 55 LEU HB3 H 2.344 0.020 2 514 264 55 LEU HD1 H 0.530 0.020 2 515 264 55 LEU HD2 H 0.822 0.020 2 516 264 55 LEU HG H 1.800 0.020 1 517 264 55 LEU CA C 58.543 0.100 1 518 264 55 LEU CB C 42.146 0.100 1 519 264 55 LEU CD1 C 23.684 0.100 2 520 264 55 LEU CD2 C 25.340 0.100 2 521 264 55 LEU N N 120.222 0.100 1 522 265 56 LEU H H 7.806 0.020 1 523 265 56 LEU HA H 4.032 0.020 1 524 265 56 LEU HB2 H 1.431 0.020 2 525 265 56 LEU HB3 H 2.377 0.020 2 526 265 56 LEU HD1 H 1.021 0.020 2 527 265 56 LEU HD2 H 1.224 0.020 2 528 265 56 LEU CA C 59.019 0.100 1 529 265 56 LEU CB C 40.714 0.100 1 530 265 56 LEU CD1 C 22.677 0.100 2 531 265 56 LEU CD2 C 27.447 0.100 2 532 265 56 LEU N N 120.043 0.100 1 533 266 57 ILE H H 8.504 0.020 1 534 266 57 ILE HA H 3.755 0.020 1 535 266 57 ILE HB H 1.901 0.020 1 536 266 57 ILE HD1 H 0.869 0.020 1 537 266 57 ILE HG12 H 1.118 0.020 2 538 266 57 ILE HG13 H 1.762 0.020 2 539 266 57 ILE HG2 H 0.971 0.020 1 540 266 57 ILE CA C 65.462 0.100 1 541 266 57 ILE CB C 38.658 0.100 1 542 266 57 ILE CD1 C 13.387 0.100 1 543 266 57 ILE CG1 C 29.390 0.100 1 544 266 57 ILE CG2 C 17.252 0.100 1 545 266 57 ILE N N 121.552 0.100 1 546 267 58 PHE H H 8.845 0.020 1 547 267 58 PHE HA H 4.139 0.020 1 548 267 58 PHE HB2 H 2.769 0.020 2 549 267 58 PHE HB3 H 3.356 0.020 2 550 267 58 PHE HD1 H 7.044 0.020 1 551 267 58 PHE HD2 H 7.044 0.020 1 552 267 58 PHE HE1 H 7.116 0.020 1 553 267 58 PHE HZ H 7.256 0.020 1 554 267 58 PHE CA C 61.519 0.100 1 555 267 58 PHE CB C 39.455 0.100 1 556 267 58 PHE CD1 C 131.731 0.100 1 557 267 58 PHE CD2 C 131.731 0.100 1 558 267 58 PHE CE1 C 131.350 0.100 1 559 267 58 PHE CE2 C 131.350 0.100 1 560 267 58 PHE CZ C 129.862 0.100 1 561 267 58 PHE N N 123.318 0.100 1 562 268 59 ASN H H 7.083 0.020 1 563 268 59 ASN HA H 4.245 0.020 1 564 268 59 ASN HB2 H 2.004 0.020 2 565 268 59 ASN HB3 H 2.578 0.020 2 566 268 59 ASN HD21 H 6.481 0.020 1 567 268 59 ASN HD22 H 7.230 0.020 1 568 268 59 ASN CA C 54.202 0.100 1 569 268 59 ASN CB C 40.178 0.100 1 570 268 59 ASN N N 113.256 0.100 1 571 268 59 ASN ND2 N 114.422 0.100 1 572 269 60 LYS H H 8.314 0.020 1 573 269 60 LYS HA H 3.985 0.020 1 574 269 60 LYS HB2 H 1.983 0.020 2 575 269 60 LYS HB3 H 1.988 0.020 2 576 269 60 LYS HD2 H 1.575 0.020 2 577 269 60 LYS HD3 H 1.595 0.020 2 578 269 60 LYS HE2 H 2.914 0.020 2 579 269 60 LYS HE3 H 2.914 0.020 2 580 269 60 LYS HG2 H 1.207 0.020 2 581 269 60 LYS HG3 H 1.325 0.020 2 582 269 60 LYS CA C 57.106 0.100 1 583 269 60 LYS CB C 28.371 0.100 1 584 269 60 LYS CD C 28.634 0.100 1 585 269 60 LYS CE C 42.410 0.100 1 586 269 60 LYS CG C 25.041 0.100 1 587 269 60 LYS N N 118.190 0.100 1 588 270 61 GLN H H 8.330 0.020 1 589 270 61 GLN HA H 4.710 0.020 1 590 270 61 GLN HB2 H 1.851 0.020 2 591 270 61 GLN HB3 H 2.266 0.020 2 592 270 61 GLN HG2 H 2.270 0.020 2 593 270 61 GLN HG3 H 2.477 0.020 2 594 270 61 GLN CA C 52.187 0.100 1 595 270 61 GLN CB C 31.498 0.100 1 596 270 61 GLN CG C 33.303 0.100 1 597 270 61 GLN N N 116.556 0.100 1 598 271 62 GLN H H 8.155 0.020 1 599 271 62 GLN HA H 4.123 0.020 1 600 271 62 GLN HB2 H 1.842 0.020 2 601 271 62 GLN HB3 H 1.993 0.020 2 602 271 62 GLN HE21 H 7.670 0.020 1 603 271 62 GLN HE22 H 6.910 0.020 1 604 271 62 GLN HG2 H 2.301 0.020 2 605 271 62 GLN HG3 H 2.576 0.020 2 606 271 62 GLN CA C 56.104 0.100 1 607 271 62 GLN CB C 29.665 0.100 1 608 271 62 GLN CG C 34.526 0.100 1 609 271 62 GLN N N 120.958 0.100 1 610 271 62 GLN NE2 N 112.643 0.100 1 611 272 63 VAL H H 8.576 0.020 1 612 272 63 VAL HA H 4.402 0.020 1 613 272 63 VAL HB H 2.117 0.020 1 614 272 63 VAL HG1 H 1.059 0.020 2 615 272 63 VAL HG2 H 1.062 0.020 2 616 272 63 VAL CA C 59.904 0.100 1 617 272 63 VAL CB C 32.463 0.100 1 618 272 63 VAL CG1 C 22.174 0.100 2 619 272 63 VAL CG2 C 22.181 0.100 2 620 272 63 VAL N N 124.077 0.100 1 621 273 64 PRO HA H 4.783 0.020 1 622 273 64 PRO HB2 H 2.173 0.020 2 623 273 64 PRO HB3 H 2.179 0.020 2 624 273 64 PRO HD2 H 3.640 0.020 2 625 273 64 PRO HD3 H 3.966 0.020 2 626 273 64 PRO HG2 H 1.664 0.020 2 627 273 64 PRO HG3 H 1.800 0.020 2 628 273 64 PRO CA C 62.075 0.100 1 629 273 64 PRO CB C 32.239 0.100 1 630 273 64 PRO CD C 50.587 0.100 1 631 273 64 PRO CG C 26.151 0.100 1 632 274 65 SER H H 8.243 0.020 1 633 274 65 SER HA H 4.374 0.020 1 634 274 65 SER HB2 H 3.870 0.020 2 635 274 65 SER HB3 H 3.874 0.020 2 636 274 65 SER CA C 59.434 0.100 1 637 274 65 SER CB C 63.899 0.100 1 638 274 65 SER N N 111.499 0.100 1 639 275 66 GLY H H 8.214 0.020 1 640 275 66 GLY HA2 H 4.030 0.020 2 641 275 66 GLY HA3 H 4.200 0.020 2 642 275 66 GLY CA C 45.075 0.100 1 643 275 66 GLY N N 111.918 0.100 1 644 276 67 GLU H H 8.789 0.020 1 645 276 67 GLU HA H 3.879 0.020 1 646 276 67 GLU HB2 H 2.100 0.020 2 647 276 67 GLU HB3 H 2.137 0.020 2 648 276 67 GLU HG2 H 2.316 0.020 2 649 276 67 GLU HG3 H 2.389 0.020 2 650 276 67 GLU CA C 60.663 0.100 1 651 276 67 GLU CB C 29.867 0.100 1 652 276 67 GLU CG C 37.109 0.100 1 653 276 67 GLU N N 124.507 0.100 1 654 277 68 SER H H 7.912 0.020 1 655 277 68 SER HA H 4.187 0.020 1 656 277 68 SER HB2 H 3.965 0.020 2 657 277 68 SER HB3 H 3.994 0.020 2 658 277 68 SER CA C 61.787 0.100 1 659 277 68 SER CB C 62.410 0.100 1 660 277 68 SER N N 118.359 0.100 1 661 278 69 ALA H H 7.574 0.020 1 662 278 69 ALA HA H 4.366 0.020 1 663 278 69 ALA HB H 1.483 0.020 1 664 278 69 ALA CA C 54.840 0.100 1 665 278 69 ALA CB C 18.821 0.100 1 666 278 69 ALA N N 124.793 0.100 1 667 279 70 ILE H H 7.967 0.020 1 668 279 70 ILE HA H 3.343 0.020 1 669 279 70 ILE HB H 1.961 0.020 1 670 279 70 ILE HD1 H 0.799 0.020 1 671 279 70 ILE HG12 H 0.707 0.020 2 672 279 70 ILE HG13 H 1.909 0.020 2 673 279 70 ILE HG2 H 0.906 0.020 1 674 279 70 ILE CA C 66.813 0.100 1 675 279 70 ILE CB C 38.513 0.100 1 676 279 70 ILE CD1 C 14.406 0.100 1 677 279 70 ILE CG1 C 30.399 0.100 1 678 279 70 ILE CG2 C 18.708 0.100 1 679 279 70 ILE N N 119.161 0.100 1 680 280 71 LEU H H 7.805 0.020 1 681 280 71 LEU HA H 3.903 0.020 1 682 280 71 LEU HB2 H 1.649 0.020 2 683 280 71 LEU HB3 H 1.802 0.020 2 684 280 71 LEU HD1 H 0.928 0.020 2 685 280 71 LEU HD2 H 0.960 0.020 2 686 280 71 LEU CA C 58.717 0.100 1 687 280 71 LEU CB C 42.284 0.100 1 688 280 71 LEU CD1 C 26.147 0.100 2 689 280 71 LEU CD2 C 25.238 0.100 2 690 280 71 LEU N N 118.732 0.100 1 691 281 72 ASP H H 8.104 0.020 1 692 281 72 ASP HA H 4.288 0.020 1 693 281 72 ASP HB2 H 2.763 0.020 2 694 281 72 ASP HB3 H 2.907 0.020 2 695 281 72 ASP CA C 58.232 0.100 1 696 281 72 ASP CB C 41.040 0.100 1 697 281 72 ASP N N 117.818 0.100 1 698 282 73 ARG H H 8.240 0.020 1 699 282 73 ARG HA H 4.276 0.020 1 700 282 73 ARG HB2 H 2.034 0.020 2 701 282 73 ARG HB3 H 2.103 0.020 2 702 282 73 ARG HD2 H 3.677 0.020 2 703 282 73 ARG HD3 H 3.677 0.020 2 704 282 73 ARG HG2 H 2.028 0.020 2 705 282 73 ARG HG3 H 2.207 0.020 2 706 282 73 ARG CA C 59.295 0.100 1 707 282 73 ARG CB C 30.426 0.100 1 708 282 73 ARG CD C 43.810 0.100 1 709 282 73 ARG CG C 27.401 0.100 1 710 282 73 ARG N N 118.382 0.100 1 711 283 74 VAL H H 8.444 0.020 1 712 283 74 VAL HA H 3.511 0.020 1 713 283 74 VAL HB H 2.063 0.020 1 714 283 74 VAL HG1 H 0.908 0.020 2 715 283 74 VAL HG2 H 1.263 0.020 2 716 283 74 VAL CA C 66.918 0.100 1 717 283 74 VAL CB C 31.388 0.100 1 718 283 74 VAL CG1 C 23.324 0.100 2 719 283 74 VAL CG2 C 25.079 0.100 2 720 283 74 VAL N N 121.981 0.100 1 721 284 75 ALA H H 8.184 0.020 1 722 284 75 ALA HA H 3.618 0.020 1 723 284 75 ALA HB H 1.282 0.020 1 724 284 75 ALA CA C 56.090 0.100 1 725 284 75 ALA CB C 18.554 0.100 1 726 284 75 ALA N N 120.895 0.100 1 727 285 76 ASP H H 7.556 0.020 1 728 285 76 ASP HA H 4.114 0.020 1 729 285 76 ASP HB2 H 2.723 0.020 2 730 285 76 ASP HB3 H 2.780 0.020 2 731 285 76 ASP CA C 57.404 0.100 1 732 285 76 ASP CB C 43.260 0.100 1 733 285 76 ASP N N 114.100 0.100 1 734 286 77 GLY H H 7.510 0.020 1 735 286 77 GLY HA2 H 3.080 0.020 2 736 286 77 GLY HA3 H 3.799 0.020 2 737 286 77 GLY CA C 46.403 0.100 1 738 286 77 GLY N N 105.588 0.100 1 739 287 78 MET H H 7.702 0.020 1 740 287 78 MET HA H 2.845 0.020 1 741 287 78 MET HB2 H 1.387 0.020 2 742 287 78 MET HB3 H 1.441 0.020 2 743 287 78 MET HE H 1.893 0.020 1 744 287 78 MET HG2 H 1.528 0.020 2 745 287 78 MET HG3 H 1.823 0.020 2 746 287 78 MET CA C 58.852 0.100 1 747 287 78 MET CB C 33.052 0.100 1 748 287 78 MET CE C 17.288 0.100 1 749 287 78 MET CG C 32.319 0.100 1 750 287 78 MET N N 117.880 0.100 1 751 288 79 VAL H H 7.335 0.020 1 752 288 79 VAL HA H 3.388 0.020 1 753 288 79 VAL HB H 0.991 0.020 1 754 288 79 VAL HG1 H -0.288 0.020 2 755 288 79 VAL HG2 H 0.539 0.020 2 756 288 79 VAL CA C 65.434 0.100 1 757 288 79 VAL CB C 32.530 0.100 1 758 288 79 VAL CG1 C 21.381 0.100 2 759 288 79 VAL CG2 C 23.959 0.100 2 760 288 79 VAL N N 115.587 0.100 1 761 289 80 PHE H H 7.822 0.020 1 762 289 80 PHE HA H 4.879 0.020 1 763 289 80 PHE HB2 H 3.109 0.020 2 764 289 80 PHE HB3 H 3.242 0.020 2 765 289 80 PHE HD1 H 7.443 0.020 1 766 289 80 PHE HD2 H 7.443 0.020 1 767 289 80 PHE HE1 H 6.930 0.020 1 768 289 80 PHE HZ H 6.703 0.020 1 769 289 80 PHE CA C 58.476 0.100 1 770 289 80 PHE CB C 39.493 0.100 1 771 289 80 PHE CD1 C 132.617 0.100 1 772 289 80 PHE CD2 C 132.617 0.100 1 773 289 80 PHE CE1 C 130.403 0.100 1 774 289 80 PHE CE2 C 130.403 0.100 1 775 289 80 PHE CZ C 128.103 0.100 1 776 289 80 PHE N N 114.520 0.100 1 777 290 81 GLY H H 7.904 0.020 1 778 290 81 GLY HA2 H 4.085 0.020 2 779 290 81 GLY HA3 H 4.693 0.020 2 780 290 81 GLY CA C 44.367 0.100 1 781 290 81 GLY N N 108.712 0.100 1 782 291 82 ALA H H 8.360 0.020 1 783 291 82 ALA HA H 4.804 0.020 1 784 291 82 ALA HB H 1.467 0.020 1 785 291 82 ALA CA C 51.666 0.100 1 786 291 82 ALA CB C 19.997 0.100 1 787 291 82 ALA N N 124.562 0.100 1 788 292 83 LEU H H 8.407 0.020 1 789 292 83 LEU HA H 4.165 0.020 1 790 292 83 LEU HB2 H 1.633 0.020 2 791 292 83 LEU HB3 H 2.163 0.020 2 792 292 83 LEU HD1 H 0.450 0.020 2 793 292 83 LEU HD2 H 1.108 0.020 2 794 292 83 LEU HG H 1.872 0.020 1 795 292 83 LEU CA C 56.574 0.100 1 796 292 83 LEU CB C 43.298 0.100 1 797 292 83 LEU CD1 C 25.097 0.100 2 798 292 83 LEU CD2 C 26.741 0.100 2 799 292 83 LEU N N 125.609 0.100 1 800 293 84 LEU H H 7.701 0.020 1 801 293 84 LEU HA H 4.627 0.020 1 802 293 84 LEU HB2 H 1.436 0.020 2 803 293 84 LEU HB3 H 1.579 0.020 2 804 293 84 LEU HD1 H 0.806 0.020 2 805 293 84 LEU HD2 H 0.887 0.020 2 806 293 84 LEU HG H 1.480 0.020 1 807 293 84 LEU CA C 53.294 0.100 1 808 293 84 LEU CB C 39.996 0.100 1 809 293 84 LEU CD1 C 25.686 0.100 2 810 293 84 LEU CD2 C 23.336 0.100 2 811 293 84 LEU CG C 28.257 0.100 1 812 293 84 LEU N N 123.219 0.100 1 813 294 85 PRO HA H 4.418 0.020 1 814 294 85 PRO HB2 H 1.629 0.020 2 815 294 85 PRO HB3 H 2.331 0.020 2 816 294 85 PRO HD2 H 3.472 0.020 2 817 294 85 PRO HD3 H 3.945 0.020 2 818 294 85 PRO HG2 H 1.998 0.020 2 819 294 85 PRO HG3 H 2.050 0.020 2 820 294 85 PRO CA C 62.851 0.100 1 821 294 85 PRO CB C 32.020 0.100 1 822 294 85 PRO CD C 50.814 0.100 1 823 294 85 PRO CG C 27.955 0.100 1 824 295 86 CYS H H 9.017 0.020 1 825 295 86 CYS HA H 3.917 0.020 1 826 295 86 CYS HB2 H 2.849 0.020 2 827 295 86 CYS HB3 H 3.317 0.020 2 828 295 86 CYS CA C 60.583 0.100 1 829 295 86 CYS CB C 31.896 0.100 1 830 295 86 CYS N N 125.313 0.100 1 831 296 87 GLU H H 8.865 0.020 1 832 296 87 GLU HA H 4.066 0.020 1 833 296 87 GLU HB2 H 2.072 0.020 2 834 296 87 GLU HB3 H 2.145 0.020 2 835 296 87 GLU HG2 H 2.369 0.020 2 836 296 87 GLU HG3 H 2.403 0.020 2 837 296 87 GLU CA C 58.830 0.100 1 838 296 87 GLU CB C 30.459 0.100 1 839 296 87 GLU CG C 36.706 0.100 1 840 296 87 GLU N N 129.410 0.100 1 841 297 88 GLU H H 9.527 0.020 1 842 297 88 GLU HA H 4.408 0.020 1 843 297 88 GLU HB2 H 1.928 0.020 2 844 297 88 GLU HB3 H 2.072 0.020 2 845 297 88 GLU HG2 H 2.164 0.020 2 846 297 88 GLU HG3 H 2.232 0.020 2 847 297 88 GLU CA C 58.189 0.100 1 848 297 88 GLU CB C 30.413 0.100 1 849 297 88 GLU CG C 36.140 0.100 1 850 297 88 GLU N N 121.008 0.100 1 851 298 89 CYS H H 8.460 0.020 1 852 298 89 CYS HA H 5.087 0.020 1 853 298 89 CYS HB2 H 2.396 0.020 2 854 298 89 CYS HB3 H 3.222 0.020 2 855 298 89 CYS CA C 58.967 0.100 1 856 298 89 CYS CB C 33.463 0.100 1 857 298 89 CYS N N 119.343 0.100 1 858 299 90 SER H H 7.935 0.020 1 859 299 90 SER HA H 4.324 0.020 1 860 299 90 SER HB2 H 4.084 0.020 2 861 299 90 SER HB3 H 4.261 0.020 2 862 299 90 SER CA C 61.554 0.100 1 863 299 90 SER CB C 62.779 0.100 1 864 299 90 SER N N 117.244 0.100 1 865 300 91 GLY H H 9.986 0.020 1 866 300 91 GLY HA2 H 3.438 0.020 2 867 300 91 GLY HA3 H 4.030 0.020 2 868 300 91 GLY CA C 43.564 0.100 1 869 300 91 GLY N N 116.940 0.100 1 870 301 92 GLN H H 8.167 0.020 1 871 301 92 GLN HA H 4.506 0.020 1 872 301 92 GLN HB2 H 1.777 0.020 2 873 301 92 GLN HB3 H 2.014 0.020 2 874 301 92 GLN HG2 H 2.164 0.020 2 875 301 92 GLN HG3 H 2.211 0.020 2 876 301 92 GLN CA C 53.837 0.100 1 877 301 92 GLN CB C 31.096 0.100 1 878 301 92 GLN CG C 33.980 0.100 1 879 301 92 GLN N N 117.236 0.100 1 880 302 93 LEU H H 9.982 0.020 1 881 302 93 LEU HA H 5.117 0.020 1 882 302 93 LEU HB2 H 1.445 0.020 2 883 302 93 LEU HB3 H 1.901 0.020 2 884 302 93 LEU HD1 H 0.809 0.020 2 885 302 93 LEU HD2 H 0.952 0.020 2 886 302 93 LEU HG H 1.603 0.020 1 887 302 93 LEU CA C 56.183 0.100 1 888 302 93 LEU CB C 43.645 0.100 1 889 302 93 LEU CD1 C 25.065 0.100 2 890 302 93 LEU CD2 C 25.027 0.100 2 891 302 93 LEU CG C 30.722 0.100 1 892 302 93 LEU N N 133.700 0.100 1 893 303 94 VAL H H 9.202 0.020 1 894 303 94 VAL HA H 4.495 0.020 1 895 303 94 VAL HB H 2.002 0.020 1 896 303 94 VAL HG1 H 0.983 0.020 2 897 303 94 VAL HG2 H 1.000 0.020 2 898 303 94 VAL CA C 61.061 0.100 1 899 303 94 VAL CB C 36.274 0.100 1 900 303 94 VAL CG1 C 21.108 0.100 2 901 303 94 VAL CG2 C 21.040 0.100 2 902 303 94 VAL N N 118.373 0.100 1 903 304 95 PHE H H 9.100 0.020 1 904 304 95 PHE HA H 3.910 0.020 1 905 304 95 PHE HB2 H 2.708 0.020 2 906 304 95 PHE HB3 H 2.782 0.020 2 907 304 95 PHE HD1 H 6.501 0.020 1 908 304 95 PHE HD2 H 6.501 0.020 1 909 304 95 PHE HE1 H 7.079 0.020 1 910 304 95 PHE HZ H 7.200 0.020 1 911 304 95 PHE CA C 59.549 0.100 1 912 304 95 PHE CB C 38.965 0.100 1 913 304 95 PHE CD1 C 131.272 0.100 1 914 304 95 PHE CD2 C 131.272 0.100 1 915 304 95 PHE N N 128.085 0.100 1 916 305 96 LYS H H 7.982 0.020 1 917 305 96 LYS HA H 4.214 0.020 1 918 305 96 LYS HB2 H 1.602 0.020 2 919 305 96 LYS HB3 H 1.655 0.020 2 920 305 96 LYS HD2 H 1.231 0.020 2 921 305 96 LYS HD3 H 1.258 0.020 2 922 305 96 LYS HE2 H 2.548 0.020 2 923 305 96 LYS HE3 H 2.594 0.020 2 924 305 96 LYS HG2 H 1.151 0.020 2 925 305 96 LYS HG3 H 1.235 0.020 2 926 305 96 LYS CA C 55.179 0.100 1 927 305 96 LYS CB C 33.484 0.100 1 928 305 96 LYS CD C 29.168 0.100 1 929 305 96 LYS CE C 41.892 0.100 1 930 305 96 LYS CG C 24.560 0.100 1 931 305 96 LYS N N 129.602 0.100 1 932 306 97 SER H H 6.536 0.020 1 933 306 97 SER HA H 3.659 0.020 1 934 306 97 SER HB2 H 3.943 0.020 2 935 306 97 SER HB3 H 3.943 0.020 2 936 306 97 SER CA C 63.969 0.100 1 937 306 97 SER CB C 62.121 0.100 1 938 306 97 SER N N 111.557 0.100 1 939 307 98 ASP H H 9.321 0.020 1 940 307 98 ASP HA H 4.794 0.020 1 941 307 98 ASP HB2 H 2.554 0.020 2 942 307 98 ASP HB3 H 2.876 0.020 2 943 307 98 ASP CA C 53.475 0.100 1 944 307 98 ASP CB C 41.351 0.100 1 945 307 98 ASP N N 119.771 0.100 1 946 308 99 ALA H H 7.511 0.020 1 947 308 99 ALA HA H 3.688 0.020 1 948 308 99 ALA HB H 0.898 0.020 1 949 308 99 ALA CA C 51.942 0.100 1 950 308 99 ALA CB C 20.238 0.100 1 951 308 99 ALA N N 118.138 0.100 1 952 309 100 TYR H H 8.435 0.020 1 953 309 100 TYR HA H 5.114 0.020 1 954 309 100 TYR HB2 H 2.558 0.020 2 955 309 100 TYR HB3 H 3.172 0.020 2 956 309 100 TYR HD1 H 7.040 0.020 1 957 309 100 TYR HD2 H 7.040 0.020 1 958 309 100 TYR HE1 H 6.824 0.020 1 959 309 100 TYR HE2 H 6.824 0.020 1 960 309 100 TYR CA C 58.519 0.100 1 961 309 100 TYR CB C 39.321 0.100 1 962 309 100 TYR CD1 C 131.152 0.100 1 963 309 100 TYR CD2 C 131.152 0.100 1 964 309 100 TYR CE1 C 118.259 0.100 1 965 309 100 TYR CE2 C 118.259 0.100 1 966 309 100 TYR N N 116.410 0.100 1 967 310 101 TYR H H 9.193 0.020 1 968 310 101 TYR HA H 5.026 0.020 1 969 310 101 TYR HB2 H 2.647 0.020 2 970 310 101 TYR HB3 H 3.049 0.020 2 971 310 101 TYR HD1 H 7.140 0.020 1 972 310 101 TYR HD2 H 7.140 0.020 1 973 310 101 TYR HE1 H 6.844 0.020 1 974 310 101 TYR HE2 H 6.844 0.020 1 975 310 101 TYR CA C 56.480 0.100 1 976 310 101 TYR CB C 41.189 0.100 1 977 310 101 TYR CD1 C 133.489 0.100 1 978 310 101 TYR CD2 C 133.489 0.100 1 979 310 101 TYR CE1 C 118.567 0.100 1 980 310 101 TYR CE2 C 118.567 0.100 1 981 310 101 TYR N N 121.899 0.100 1 982 311 102 CYS H H 8.511 0.020 1 983 311 102 CYS HA H 4.399 0.020 1 984 311 102 CYS HB2 H 2.612 0.020 2 985 311 102 CYS HB3 H 2.840 0.020 2 986 311 102 CYS CA C 62.153 0.100 1 987 311 102 CYS CB C 31.076 0.100 1 988 311 102 CYS N N 124.626 0.100 1 989 312 103 THR H H 7.782 0.020 1 990 312 103 THR HA H 4.760 0.020 1 991 312 103 THR HB H 4.617 0.020 1 992 312 103 THR HG2 H 1.347 0.020 1 993 312 103 THR CA C 61.985 0.100 1 994 312 103 THR CB C 70.840 0.100 1 995 312 103 THR CG2 C 22.366 0.100 1 996 312 103 THR N N 118.178 0.100 1 997 313 104 GLY H H 10.458 0.020 1 998 313 104 GLY HA2 H 4.169 0.020 2 999 313 104 GLY HA3 H 4.554 0.020 2 1000 313 104 GLY CA C 45.445 0.100 1 1001 313 104 GLY N N 120.463 0.100 1 1002 314 105 ASP H H 8.169 0.020 1 1003 314 105 ASP HA H 5.055 0.020 1 1004 314 105 ASP HB2 H 2.348 0.020 2 1005 314 105 ASP HB3 H 2.627 0.020 2 1006 314 105 ASP CA C 54.077 0.100 1 1007 314 105 ASP CB C 42.990 0.100 1 1008 314 105 ASP N N 119.403 0.100 1 1009 315 106 VAL H H 8.322 0.020 1 1010 315 106 VAL HA H 3.910 0.020 1 1011 315 106 VAL HB H 1.928 0.020 1 1012 315 106 VAL HG1 H 0.922 0.020 2 1013 315 106 VAL HG2 H 0.996 0.020 2 1014 315 106 VAL CA C 65.264 0.100 1 1015 315 106 VAL CB C 32.470 0.100 1 1016 315 106 VAL CG1 C 21.369 0.100 2 1017 315 106 VAL CG2 C 21.321 0.100 2 1018 315 106 VAL N N 123.552 0.100 1 1019 316 107 THR H H 7.954 0.020 1 1020 316 107 THR HA H 4.441 0.020 1 1021 316 107 THR HB H 4.250 0.020 1 1022 316 107 THR HG2 H 1.191 0.020 1 1023 316 107 THR CA C 59.833 0.100 1 1024 316 107 THR CB C 72.695 0.100 1 1025 316 107 THR CG2 C 21.842 0.100 1 1026 316 107 THR N N 109.630 0.100 1 1027 317 108 ALA H H 8.315 0.020 1 1028 317 108 ALA HA H 3.972 0.020 1 1029 317 108 ALA HB H 0.883 0.020 1 1030 317 108 ALA CA C 53.982 0.100 1 1031 317 108 ALA CB C 17.682 0.100 1 1032 317 108 ALA N N 120.453 0.100 1 1033 318 109 TRP H H 7.716 0.020 1 1034 318 109 TRP HA H 4.788 0.020 1 1035 318 109 TRP HB2 H 3.150 0.020 2 1036 318 109 TRP HB3 H 3.436 0.020 2 1037 318 109 TRP HD1 H 7.221 0.020 1 1038 318 109 TRP HE1 H 10.117 0.020 1 1039 318 109 TRP HE3 H 7.655 0.020 1 1040 318 109 TRP HH2 H 7.255 0.020 1 1041 318 109 TRP HZ2 H 7.520 0.020 1 1042 318 109 TRP HZ3 H 7.211 0.020 1 1043 318 109 TRP CA C 57.510 0.100 1 1044 318 109 TRP CB C 30.113 0.100 1 1045 318 109 TRP CD1 C 127.557 0.100 1 1046 318 109 TRP CE3 C 121.180 0.100 1 1047 318 109 TRP CH2 C 124.627 0.100 1 1048 318 109 TRP CZ2 C 114.616 0.100 1 1049 318 109 TRP CZ3 C 122.213 0.100 1 1050 318 109 TRP N N 114.394 0.100 1 1051 318 109 TRP NE1 N 129.236 0.100 1 1052 319 110 THR H H 7.338 0.020 1 1053 319 110 THR HA H 4.617 0.020 1 1054 319 110 THR HB H 3.939 0.020 1 1055 319 110 THR HG2 H 1.181 0.020 1 1056 319 110 THR CA C 61.412 0.100 1 1057 319 110 THR CB C 71.313 0.100 1 1058 319 110 THR CG2 C 22.070 0.100 1 1059 319 110 THR N N 116.158 0.100 1 1060 320 111 LYS H H 8.562 0.020 1 1061 320 111 LYS HA H 4.619 0.020 1 1062 320 111 LYS HB2 H 1.765 0.020 2 1063 320 111 LYS HB3 H 2.036 0.020 2 1064 320 111 LYS HD2 H 1.694 0.020 2 1065 320 111 LYS HD3 H 1.758 0.020 2 1066 320 111 LYS HE2 H 2.917 0.020 2 1067 320 111 LYS HE3 H 3.079 0.020 2 1068 320 111 LYS HG2 H 1.529 0.020 2 1069 320 111 LYS HG3 H 1.553 0.020 2 1070 320 111 LYS CA C 55.196 0.100 1 1071 320 111 LYS CB C 32.877 0.100 1 1072 320 111 LYS CD C 27.665 0.100 1 1073 320 111 LYS CE C 42.161 0.100 1 1074 320 111 LYS CG C 24.357 0.100 1 1075 320 111 LYS N N 126.899 0.100 1 1076 321 112 CYS H H 8.292 0.020 1 1077 321 112 CYS HA H 3.991 0.020 1 1078 321 112 CYS HB2 H 2.649 0.020 2 1079 321 112 CYS HB3 H 2.709 0.020 2 1080 321 112 CYS CA C 61.379 0.100 1 1081 321 112 CYS CB C 31.667 0.100 1 1082 321 112 CYS N N 124.845 0.100 1 1083 322 113 MET H H 8.430 0.020 1 1084 322 113 MET HA H 4.935 0.020 1 1085 322 113 MET HB2 H 1.909 0.020 2 1086 322 113 MET HB3 H 2.377 0.020 2 1087 322 113 MET HE H 2.138 0.020 1 1088 322 113 MET HG2 H 2.540 0.020 2 1089 322 113 MET HG3 H 2.718 0.020 2 1090 322 113 MET CA C 54.495 0.100 1 1091 322 113 MET CB C 32.338 0.100 1 1092 322 113 MET CE C 17.094 0.100 1 1093 322 113 MET CG C 32.291 0.100 1 1094 322 113 MET N N 125.367 0.100 1 1095 323 114 VAL H H 8.678 0.020 1 1096 323 114 VAL HA H 3.686 0.020 1 1097 323 114 VAL HB H 2.181 0.020 1 1098 323 114 VAL HG1 H 0.829 0.020 2 1099 323 114 VAL HG2 H 0.962 0.020 2 1100 323 114 VAL CA C 66.358 0.100 1 1101 323 114 VAL CB C 31.597 0.100 1 1102 323 114 VAL CG1 C 20.334 0.100 2 1103 323 114 VAL CG2 C 24.411 0.100 2 1104 323 114 VAL N N 125.809 0.100 1 1105 324 115 LYS H H 7.826 0.020 1 1106 324 115 LYS HA H 4.979 0.020 1 1107 324 115 LYS HB2 H 1.081 0.020 2 1108 324 115 LYS HB3 H 1.326 0.020 2 1109 324 115 LYS HD2 H 1.348 0.020 2 1110 324 115 LYS HD3 H 1.406 0.020 2 1111 324 115 LYS HE2 H 2.657 0.020 2 1112 324 115 LYS HE3 H 2.657 0.020 2 1113 324 115 LYS HG2 H 0.438 0.020 2 1114 324 115 LYS HG3 H 0.761 0.020 2 1115 324 115 LYS CA C 54.726 0.100 1 1116 324 115 LYS CB C 34.970 0.100 1 1117 324 115 LYS CD C 30.044 0.100 1 1118 324 115 LYS CE C 42.353 0.100 1 1119 324 115 LYS CG C 24.057 0.100 1 1120 324 115 LYS N N 127.678 0.100 1 1121 325 116 THR H H 9.174 0.020 1 1122 325 116 THR HA H 4.721 0.020 1 1123 325 116 THR HB H 4.198 0.020 1 1124 325 116 THR HG2 H 0.844 0.020 1 1125 325 116 THR CA C 59.708 0.100 1 1126 325 116 THR CB C 68.516 0.100 1 1127 325 116 THR CG2 C 18.870 0.100 1 1128 325 116 THR N N 117.610 0.100 1 1129 326 117 GLN HA H 4.297 0.020 1 1130 326 117 GLN HB2 H 1.831 0.020 2 1131 326 117 GLN HB3 H 2.037 0.020 2 1132 326 117 GLN HE21 H 6.860 0.020 1 1133 326 117 GLN HE22 H 7.030 0.020 1 1134 326 117 GLN HG2 H 1.144 0.020 2 1135 326 117 GLN HG3 H 2.177 0.020 2 1136 326 117 GLN CA C 56.744 0.100 1 1137 326 117 GLN CB C 28.977 0.100 1 1138 326 117 GLN CG C 33.980 0.100 1 1139 326 117 GLN NE2 N 111.549 0.100 1 1140 327 118 THR H H 8.845 0.020 1 1141 327 118 THR HA H 4.701 0.020 1 1142 327 118 THR HB H 4.315 0.020 1 1143 327 118 THR HG2 H 1.071 0.020 1 1144 327 118 THR CA C 57.598 0.100 1 1145 327 118 THR CB C 69.180 0.100 1 1146 327 118 THR CG2 C 20.868 0.100 1 1147 327 118 THR N N 111.703 0.100 1 1148 328 119 PRO HA H 4.290 0.020 1 1149 328 119 PRO HB2 H 1.461 0.020 2 1150 328 119 PRO HB3 H 1.500 0.020 2 1151 328 119 PRO HD2 H 2.947 0.020 2 1152 328 119 PRO HD3 H 3.391 0.020 2 1153 328 119 PRO HG2 H 0.502 0.020 2 1154 328 119 PRO HG3 H 1.174 0.020 2 1155 328 119 PRO CA C 62.335 0.100 1 1156 328 119 PRO CB C 32.334 0.100 1 1157 328 119 PRO CD C 50.415 0.100 1 1158 328 119 PRO CG C 26.293 0.100 1 1159 329 120 ASN H H 8.368 0.020 1 1160 329 120 ASN HA H 4.682 0.020 1 1161 329 120 ASN HB2 H 2.765 0.020 2 1162 329 120 ASN HB3 H 2.836 0.020 2 1163 329 120 ASN CA C 53.848 0.100 1 1164 329 120 ASN CB C 38.889 0.100 1 1165 329 120 ASN N N 118.698 0.100 1 1166 330 121 ARG HA H 5.286 0.020 1 1167 330 121 ARG HB2 H 1.584 0.020 2 1168 330 121 ARG HB3 H 1.623 0.020 2 1169 330 121 ARG HD2 H 2.726 0.020 2 1170 330 121 ARG HD3 H 2.939 0.020 2 1171 330 121 ARG HG2 H 1.247 0.020 2 1172 330 121 ARG HG3 H 1.568 0.020 2 1173 330 121 ARG CA C 54.947 0.100 1 1174 330 121 ARG CB C 36.183 0.100 1 1175 330 121 ARG CD C 44.253 0.100 1 1176 330 121 ARG CG C 27.901 0.100 1 1177 331 122 LYS H H 9.150 0.020 1 1178 331 122 LYS HA H 4.799 0.020 1 1179 331 122 LYS HB2 H 1.742 0.020 2 1180 331 122 LYS HB3 H 1.964 0.020 2 1181 331 122 LYS HD2 H 1.630 0.020 2 1182 331 122 LYS HD3 H 1.700 0.020 2 1183 331 122 LYS HE2 H 2.945 0.020 2 1184 331 122 LYS HE3 H 2.990 0.020 2 1185 331 122 LYS HG2 H 1.393 0.020 2 1186 331 122 LYS HG3 H 1.399 0.020 2 1187 331 122 LYS CA C 54.202 0.100 1 1188 331 122 LYS CB C 35.473 0.100 1 1189 331 122 LYS CD C 29.134 0.100 1 1190 331 122 LYS CE C 41.772 0.100 1 1191 331 122 LYS CG C 23.348 0.100 1 1192 331 122 LYS N N 119.323 0.100 1 1193 332 123 GLU H H 8.543 0.020 1 1194 332 123 GLU HA H 4.230 0.020 1 1195 332 123 GLU HB2 H 1.964 0.020 2 1196 332 123 GLU HB3 H 1.996 0.020 2 1197 332 123 GLU HG2 H 2.376 0.020 2 1198 332 123 GLU HG3 H 2.376 0.020 2 1199 332 123 GLU CA C 57.914 0.100 1 1200 332 123 GLU CB C 29.545 0.100 1 1201 332 123 GLU CG C 36.350 0.100 1 1202 332 123 GLU N N 120.205 0.100 1 1203 333 124 TRP H H 9.111 0.020 1 1204 333 124 TRP HA H 4.258 0.020 1 1205 333 124 TRP HB2 H 3.080 0.020 2 1206 333 124 TRP HB3 H 3.290 0.020 2 1207 333 124 TRP HD1 H 6.947 0.020 1 1208 333 124 TRP HE1 H 9.510 0.020 1 1209 333 124 TRP HE3 H 7.190 0.020 1 1210 333 124 TRP HH2 H 6.888 0.020 1 1211 333 124 TRP HZ2 H 7.149 0.020 1 1212 333 124 TRP CA C 57.972 0.100 1 1213 333 124 TRP CB C 29.427 0.100 1 1214 333 124 TRP CD1 C 127.707 0.100 1 1215 333 124 TRP CE3 C 121.425 0.100 1 1216 333 124 TRP CH2 C 122.681 0.100 1 1217 333 124 TRP CZ2 C 113.835 0.100 1 1218 333 124 TRP N N 126.345 0.100 1 1219 333 124 TRP NE1 N 128.225 0.100 1 1220 334 125 VAL H H 8.566 0.020 1 1221 334 125 VAL HA H 4.478 0.020 1 1222 334 125 VAL HB H 1.937 0.020 1 1223 334 125 VAL HG1 H 0.740 0.020 2 1224 334 125 VAL HG2 H 0.861 0.020 2 1225 334 125 VAL CA C 60.737 0.100 1 1226 334 125 VAL CB C 34.816 0.100 1 1227 334 125 VAL CG1 C 20.162 0.100 2 1228 334 125 VAL CG2 C 22.193 0.100 2 1229 334 125 VAL N N 128.412 0.100 1 1230 335 126 THR H H 8.422 0.020 1 1231 335 126 THR HA H 4.493 0.020 1 1232 335 126 THR HB H 3.932 0.020 1 1233 335 126 THR HG2 H 1.170 0.020 1 1234 335 126 THR CA C 59.180 0.100 1 1235 335 126 THR CB C 70.085 0.100 1 1236 335 126 THR CG2 C 22.364 0.100 1 1237 335 126 THR N N 120.029 0.100 1 1238 336 127 PRO HA H 3.902 0.020 1 1239 336 127 PRO HB2 H 1.658 0.020 2 1240 336 127 PRO HB3 H 1.745 0.020 2 1241 336 127 PRO HD2 H 3.095 0.020 2 1242 336 127 PRO HD3 H 3.189 0.020 2 1243 336 127 PRO HG2 H 0.651 0.020 2 1244 336 127 PRO HG3 H 1.487 0.020 2 1245 336 127 PRO CA C 62.516 0.100 1 1246 336 127 PRO CB C 32.030 0.100 1 1247 336 127 PRO CD C 51.178 0.100 1 1248 336 127 PRO CG C 25.976 0.100 1 1249 337 128 LYS H H 8.531 0.020 1 1250 337 128 LYS HA H 3.924 0.020 1 1251 337 128 LYS HB2 H 1.771 0.020 2 1252 337 128 LYS HB3 H 1.872 0.020 2 1253 337 128 LYS HD2 H 1.694 0.020 2 1254 337 128 LYS HD3 H 1.694 0.020 2 1255 337 128 LYS HE2 H 3.018 0.020 2 1256 337 128 LYS HE3 H 3.018 0.020 2 1257 337 128 LYS HG2 H 1.442 0.020 2 1258 337 128 LYS HG3 H 1.442 0.020 2 1259 337 128 LYS CA C 59.256 0.100 1 1260 337 128 LYS CB C 32.445 0.100 1 1261 337 128 LYS CD C 29.465 0.100 1 1262 337 128 LYS CE C 42.225 0.100 1 1263 337 128 LYS CG C 24.894 0.100 1 1264 337 128 LYS N N 122.790 0.100 1 1265 338 129 GLU H H 8.876 0.020 1 1266 338 129 GLU HA H 4.060 0.020 1 1267 338 129 GLU HB2 H 1.792 0.020 2 1268 338 129 GLU HB3 H 1.880 0.020 2 1269 338 129 GLU HG2 H 2.089 0.020 2 1270 338 129 GLU HG3 H 2.157 0.020 2 1271 338 129 GLU CA C 58.155 0.100 1 1272 338 129 GLU CB C 28.481 0.100 1 1273 338 129 GLU CG C 36.721 0.100 1 1274 338 129 GLU N N 116.922 0.100 1 1275 339 130 PHE H H 7.672 0.020 1 1276 339 130 PHE HA H 4.492 0.020 1 1277 339 130 PHE HB2 H 2.799 0.020 2 1278 339 130 PHE HB3 H 3.034 0.020 2 1279 339 130 PHE HD1 H 7.178 0.020 1 1280 339 130 PHE HD2 H 7.178 0.020 1 1281 339 130 PHE HE1 H 7.280 0.020 1 1282 339 130 PHE CA C 58.024 0.100 1 1283 339 130 PHE CB C 39.721 0.100 1 1284 339 130 PHE CD1 C 131.721 0.100 1 1285 339 130 PHE CD2 C 131.721 0.100 1 1286 339 130 PHE CE1 C 131.258 0.100 1 1287 339 130 PHE CE2 C 131.258 0.100 1 1288 339 130 PHE N N 120.170 0.100 1 1289 340 131 ARG H H 7.561 0.020 1 1290 340 131 ARG HA H 4.002 0.020 1 1291 340 131 ARG HB2 H 1.727 0.020 2 1292 340 131 ARG HB3 H 1.727 0.020 2 1293 340 131 ARG HD2 H 3.179 0.020 2 1294 340 131 ARG HD3 H 3.179 0.020 2 1295 340 131 ARG CA C 57.643 0.100 1 1296 340 131 ARG CB C 30.322 0.100 1 1297 340 131 ARG CD C 43.545 0.100 1 1298 340 131 ARG CG C 27.058 0.100 1 1299 340 131 ARG N N 122.452 0.100 1 1300 341 132 GLU H H 8.067 0.020 1 1301 341 132 GLU HA H 4.238 0.020 1 1302 341 132 GLU HB2 H 1.877 0.020 2 1303 341 132 GLU HB3 H 2.068 0.020 2 1304 341 132 GLU HG2 H 2.188 0.020 2 1305 341 132 GLU HG3 H 2.283 0.020 2 1306 341 132 GLU CA C 56.847 0.100 1 1307 341 132 GLU CB C 29.736 0.100 1 1308 341 132 GLU CG C 36.443 0.100 1 1309 341 132 GLU N N 118.497 0.100 1 1310 342 133 ILE H H 7.826 0.020 1 1311 342 133 ILE HA H 4.197 0.020 1 1312 342 133 ILE HB H 2.072 0.020 1 1313 342 133 ILE HD1 H 0.880 0.020 1 1314 342 133 ILE HG12 H 1.332 0.020 2 1315 342 133 ILE HG13 H 1.528 0.020 2 1316 342 133 ILE HG2 H 0.984 0.020 1 1317 342 133 ILE CA C 61.070 0.100 1 1318 342 133 ILE CB C 37.663 0.100 1 1319 342 133 ILE CD1 C 13.212 0.100 1 1320 342 133 ILE CG1 C 27.598 0.100 1 1321 342 133 ILE CG2 C 18.171 0.100 1 1322 342 133 ILE N N 121.790 0.100 1 1323 343 134 SER HA H 3.902 0.020 1 1324 343 134 SER HB2 H 3.881 0.020 2 1325 343 134 SER HB3 H 3.955 0.020 2 1326 343 134 SER CA C 62.516 0.100 1 1327 343 134 SER CB C 62.739 0.100 1 1328 344 135 TYR H H 8.282 0.020 1 1329 344 135 TYR HA H 4.129 0.020 1 1330 344 135 TYR HB2 H 2.768 0.020 2 1331 344 135 TYR HB3 H 3.039 0.020 2 1332 344 135 TYR HD1 H 6.965 0.020 1 1333 344 135 TYR HD2 H 6.965 0.020 1 1334 344 135 TYR HE1 H 6.740 0.020 1 1335 344 135 TYR HE2 H 6.740 0.020 1 1336 344 135 TYR CA C 61.172 0.100 1 1337 344 135 TYR CB C 39.118 0.100 1 1338 344 135 TYR CD1 C 132.767 0.100 1 1339 344 135 TYR CD2 C 132.767 0.100 1 1340 344 135 TYR CE1 C 118.406 0.100 1 1341 344 135 TYR CE2 C 118.406 0.100 1 1342 344 135 TYR N N 120.416 0.100 1 1343 345 136 LEU H H 7.250 0.020 1 1344 345 136 LEU HA H 4.031 0.020 1 1345 345 136 LEU HB2 H 1.613 0.020 2 1346 345 136 LEU HB3 H 1.820 0.020 2 1347 345 136 LEU HD1 H 0.851 0.020 2 1348 345 136 LEU HD2 H 0.965 0.020 2 1349 345 136 LEU CA C 56.713 0.100 1 1350 345 136 LEU CB C 41.538 0.100 1 1351 345 136 LEU CD1 C 23.611 0.100 2 1352 345 136 LEU CD2 C 25.639 0.100 2 1353 345 136 LEU CG C 27.493 0.100 1 1354 345 136 LEU N N 115.715 0.100 1 1355 346 137 LYS H H 7.853 0.020 1 1356 346 137 LYS HA H 4.049 0.020 1 1357 346 137 LYS HB2 H 1.874 0.020 2 1358 346 137 LYS HB3 H 1.874 0.020 2 1359 346 137 LYS HD2 H 1.691 0.020 2 1360 346 137 LYS HD3 H 1.691 0.020 2 1361 346 137 LYS HE2 H 2.989 0.020 2 1362 346 137 LYS HE3 H 2.989 0.020 2 1363 346 137 LYS HG2 H 1.451 0.020 2 1364 346 137 LYS HG3 H 1.504 0.020 2 1365 346 137 LYS CA C 58.746 0.100 1 1366 346 137 LYS CB C 32.358 0.100 1 1367 346 137 LYS CD C 29.168 0.100 1 1368 346 137 LYS CE C 42.148 0.100 1 1369 346 137 LYS CG C 25.080 0.100 1 1370 346 137 LYS N N 119.314 0.100 1 1371 347 138 LYS H H 7.586 0.020 1 1372 347 138 LYS HA H 4.159 0.020 1 1373 347 138 LYS HB2 H 1.730 0.020 2 1374 347 138 LYS HB3 H 1.859 0.020 2 1375 347 138 LYS HD2 H 1.586 0.020 2 1376 347 138 LYS HD3 H 1.586 0.020 2 1377 347 138 LYS HE2 H 2.913 0.020 2 1378 347 138 LYS HE3 H 2.913 0.020 2 1379 347 138 LYS HG2 H 1.384 0.020 2 1380 347 138 LYS HG3 H 1.410 0.020 2 1381 347 138 LYS CA C 57.168 0.100 1 1382 347 138 LYS CB C 32.691 0.100 1 1383 347 138 LYS CD C 29.210 0.100 1 1384 347 138 LYS CE C 42.190 0.100 1 1385 347 138 LYS CG C 25.080 0.100 1 1386 347 138 LYS N N 116.623 0.100 1 1387 348 139 LEU H H 7.326 0.020 1 1388 348 139 LEU HA H 4.157 0.020 1 1389 348 139 LEU HB2 H 1.557 0.020 2 1390 348 139 LEU HB3 H 1.557 0.020 2 1391 348 139 LEU HD1 H 0.770 0.020 2 1392 348 139 LEU HD2 H 0.809 0.020 1 1393 348 139 LEU CA C 55.580 0.100 1 1394 348 139 LEU CB C 42.148 0.100 1 1395 348 139 LEU CD1 C 24.085 0.100 2 1396 348 139 LEU CD2 C 25.043 0.100 2 1397 348 139 LEU N N 120.125 0.100 1 1398 349 140 LYS H H 7.997 0.020 1 1399 349 140 LYS HA H 4.302 0.020 1 1400 349 140 LYS HB2 H 1.804 0.020 2 1401 349 140 LYS HB3 H 1.804 0.020 2 1402 349 140 LYS CA C 56.473 0.100 1 1403 349 140 LYS CB C 32.569 0.100 1 1404 349 140 LYS CD C 29.210 0.100 1 1405 349 140 LYS CE C 42.275 0.100 1 1406 349 140 LYS N N 121.856 0.100 1 1407 350 141 VAL H H 7.888 0.020 1 1408 350 141 VAL HA H 4.130 0.020 1 1409 350 141 VAL HB H 2.096 0.020 1 1410 350 141 VAL HG1 H 0.881 0.020 2 1411 350 141 VAL HG2 H 0.912 0.020 2 1412 350 141 VAL CA C 61.968 0.100 1 1413 350 141 VAL CB C 33.323 0.100 1 1414 350 141 VAL CG1 C 20.694 0.100 2 1415 350 141 VAL CG2 C 21.801 0.100 2 1416 350 141 VAL N N 119.849 0.100 1 1417 351 142 LYS H H 8.236 0.020 1 1418 351 142 LYS HA H 4.363 0.020 1 1419 351 142 LYS HB2 H 1.740 0.020 2 1420 351 142 LYS HB3 H 1.817 0.020 2 1421 351 142 LYS HG2 H 1.437 0.020 2 1422 351 142 LYS HG3 H 1.505 0.020 2 1423 351 142 LYS CA C 55.840 0.100 1 1424 351 142 LYS CB C 33.573 0.100 1 1425 351 142 LYS CD C 29.247 0.100 1 1426 351 142 LYS CE C 42.466 0.100 1 1427 351 142 LYS CG C 24.991 0.100 1 1428 351 142 LYS N N 124.858 0.100 1 1429 352 143 LYS H H 8.240 0.020 1 1430 352 143 LYS HA H 4.358 0.020 1 1431 352 143 LYS HB2 H 1.769 0.020 2 1432 352 143 LYS HB3 H 1.774 0.020 2 1433 352 143 LYS HD2 H 1.685 0.020 2 1434 352 143 LYS HD3 H 1.685 0.020 2 1435 352 143 LYS HE2 H 3.008 0.020 2 1436 352 143 LYS HE3 H 3.008 0.020 2 1437 352 143 LYS HG2 H 1.409 0.020 2 1438 352 143 LYS HG3 H 1.416 0.020 2 1439 352 143 LYS CA C 56.721 0.100 1 1440 352 143 LYS CB C 32.700 0.100 1 1441 352 143 LYS CD C 29.123 0.100 1 1442 352 143 LYS CE C 41.911 0.100 1 1443 352 143 LYS CG C 24.412 0.100 1 1444 352 143 LYS N N 123.046 0.100 1 1445 353 144 GLN H H 8.586 0.020 1 1446 353 144 GLN HA H 4.663 0.020 1 1447 353 144 GLN HB2 H 2.027 0.020 2 1448 353 144 GLN HB3 H 2.145 0.020 2 1449 353 144 GLN HE21 H 7.649 0.020 1 1450 353 144 GLN HE22 H 6.621 0.020 1 1451 353 144 GLN HG2 H 2.147 0.020 2 1452 353 144 GLN HG3 H 2.444 0.020 2 1453 353 144 GLN CA C 54.856 0.100 1 1454 353 144 GLN CB C 31.787 0.100 1 1455 353 144 GLN CG C 33.304 0.100 1 1456 353 144 GLN N N 122.423 0.100 1 1457 353 144 GLN NE2 N 111.708 0.100 1 1458 354 145 ASP H H 8.235 0.020 1 1459 354 145 ASP HA H 4.938 0.020 1 1460 354 145 ASP HB2 H 2.449 0.020 2 1461 354 145 ASP HB3 H 2.741 0.020 2 1462 354 145 ASP CA C 53.497 0.100 1 1463 354 145 ASP CB C 42.637 0.100 1 1464 354 145 ASP N N 119.231 0.100 1 1465 355 146 ARG H H 8.292 0.020 1 1466 355 146 ARG HA H 3.512 0.020 1 1467 355 146 ARG HB2 H 0.148 0.020 2 1468 355 146 ARG HB3 H 1.063 0.020 2 1469 355 146 ARG HD2 H 2.082 0.020 2 1470 355 146 ARG HD3 H 2.295 0.020 2 1471 355 146 ARG HG2 H 0.365 0.020 2 1472 355 146 ARG HG3 H 0.543 0.020 2 1473 355 146 ARG CA C 56.848 0.100 1 1474 355 146 ARG CB C 30.356 0.100 1 1475 355 146 ARG CD C 43.736 0.100 1 1476 355 146 ARG CG C 27.207 0.100 1 1477 355 146 ARG N N 124.335 0.100 1 1478 356 147 ILE H H 8.822 0.020 1 1479 356 147 ILE HA H 4.120 0.020 1 1480 356 147 ILE HB H 1.481 0.020 1 1481 356 147 ILE HD1 H 0.773 0.020 1 1482 356 147 ILE HG12 H 1.086 0.020 2 1483 356 147 ILE HG13 H 1.558 0.020 2 1484 356 147 ILE HG2 H 0.857 0.020 1 1485 356 147 ILE CA C 60.790 0.100 1 1486 356 147 ILE CB C 39.285 0.100 1 1487 356 147 ILE CD1 C 13.940 0.100 1 1488 356 147 ILE CG1 C 27.557 0.100 1 1489 356 147 ILE CG2 C 18.401 0.100 1 1490 356 147 ILE N N 127.765 0.100 1 1491 357 148 PHE H H 8.669 0.020 1 1492 357 148 PHE HA H 4.830 0.020 1 1493 357 148 PHE HB2 H 2.687 0.020 2 1494 357 148 PHE HB3 H 3.111 0.020 2 1495 357 148 PHE HD1 H 7.352 0.020 1 1496 357 148 PHE HD2 H 7.352 0.020 1 1497 357 148 PHE HE1 H 7.382 0.020 1 1498 357 148 PHE CA C 55.980 0.100 1 1499 357 148 PHE CB C 40.278 0.100 1 1500 357 148 PHE CD1 C 132.529 0.100 1 1501 357 148 PHE CD2 C 132.529 0.100 1 1502 357 148 PHE CE1 C 131.258 0.100 1 1503 357 148 PHE CE2 C 131.258 0.100 1 1504 357 148 PHE N N 125.437 0.100 1 1505 358 149 PRO HA H 4.615 0.020 1 1506 358 149 PRO HB2 H 2.033 0.020 2 1507 358 149 PRO HB3 H 2.419 0.020 2 1508 358 149 PRO HD2 H 3.935 0.020 2 1509 358 149 PRO HD3 H 4.016 0.020 2 1510 358 149 PRO HG2 H 2.134 0.020 2 1511 358 149 PRO HG3 H 2.236 0.020 2 1512 358 149 PRO CA C 61.447 0.100 1 1513 358 149 PRO CB C 31.023 0.100 1 1514 358 149 PRO CD C 50.921 0.100 1 1515 358 149 PRO CG C 27.728 0.100 1 1516 359 150 PRO HA H 4.502 0.020 1 1517 359 150 PRO HB2 H 1.964 0.020 2 1518 359 150 PRO HB3 H 2.339 0.020 2 1519 359 150 PRO HD2 H 3.748 0.020 2 1520 359 150 PRO HD3 H 3.748 0.020 2 1521 359 150 PRO HG2 H 2.074 0.020 2 1522 359 150 PRO HG3 H 2.074 0.020 2 1523 359 150 PRO CA C 63.244 0.100 1 1524 359 150 PRO CB C 31.969 0.100 1 1525 359 150 PRO CD C 50.577 0.100 1 1526 359 150 PRO CG C 27.511 0.100 1 1527 360 151 GLU H H 8.652 0.020 1 1528 360 151 GLU HA H 4.345 0.020 1 1529 360 151 GLU HB2 H 2.009 0.020 2 1530 360 151 GLU HB3 H 2.073 0.020 2 1531 360 151 GLU HG2 H 2.300 0.020 2 1532 360 151 GLU HG3 H 2.300 0.020 2 1533 360 151 GLU CA C 57.036 0.100 1 1534 360 151 GLU CB C 30.302 0.100 1 1535 360 151 GLU CG C 36.415 0.100 1 1536 360 151 GLU N N 121.088 0.100 1 1537 361 152 THR H H 8.223 0.020 1 1538 361 152 THR HA H 4.414 0.020 1 1539 361 152 THR HB H 4.265 0.020 1 1540 361 152 THR HG2 H 1.236 0.020 1 1541 361 152 THR CA C 61.879 0.100 1 1542 361 152 THR CB C 69.992 0.100 1 1543 361 152 THR CG2 C 21.818 0.100 1 1544 361 152 THR N N 114.538 0.100 1 1545 362 153 SER H H 8.307 0.020 1 1546 362 153 SER HA H 4.453 0.020 1 1547 362 153 SER HB2 H 3.889 0.020 2 1548 362 153 SER HB3 H 3.917 0.020 2 1549 362 153 SER CA C 58.489 0.100 1 1550 362 153 SER CB C 64.087 0.100 1 1551 362 153 SER N N 118.069 0.100 1 1552 363 154 ASN H H 8.358 0.020 1 1553 363 154 ASN HA H 4.678 0.020 1 1554 363 154 ASN HB2 H 2.775 0.020 2 1555 363 154 ASN HB3 H 2.777 0.020 2 1556 363 154 ASN HD21 H 7.785 0.020 1 1557 363 154 ASN HD22 H 7.052 0.020 1 1558 363 154 ASN CA C 53.848 0.100 1 1559 363 154 ASN CB C 38.766 0.100 1 1560 363 154 ASN N N 123.536 0.100 1 1561 363 154 ASN ND2 N 113.797 0.100 1 1562 364 155 SER H H 8.589 0.020 1 1563 364 155 SER HA H 4.474 0.020 1 1564 364 155 SER HB2 H 3.876 0.020 2 1565 364 155 SER HB3 H 3.940 0.020 2 1566 364 155 SER CA C 58.831 0.100 1 1567 364 155 SER CB C 63.871 0.100 1 1568 364 155 SER N N 122.516 0.100 1 1569 365 156 SER H H 8.340 0.020 1 1570 365 156 SER HA H 4.456 0.020 1 1571 365 156 SER HB2 H 3.917 0.020 2 1572 365 156 SER HB3 H 3.917 0.020 2 1573 365 156 SER CA C 59.026 0.100 1 1574 365 156 SER CB C 63.959 0.100 1 1575 365 156 SER N N 117.666 0.100 1 1576 366 157 GLY H H 8.340 0.020 1 1577 366 157 GLY HA2 H 3.965 0.020 2 1578 366 157 GLY HA3 H 3.965 0.020 2 1579 366 157 GLY CA C 45.475 0.100 1 1580 366 157 GLY N N 110.679 0.100 1 1581 367 158 ARG H H 8.011 0.020 1 1582 367 158 ARG HA H 4.356 0.020 1 1583 367 158 ARG HB2 H 1.744 0.020 2 1584 367 158 ARG HB3 H 1.812 0.020 2 1585 367 158 ARG HD2 H 3.191 0.020 2 1586 367 158 ARG HD3 H 3.191 0.020 2 1587 367 158 ARG HG2 H 1.565 0.020 2 1588 367 158 ARG HG3 H 1.607 0.020 2 1589 367 158 ARG CA C 56.156 0.100 1 1590 367 158 ARG CB C 31.088 0.100 1 1591 367 158 ARG CD C 43.504 0.100 1 1592 367 158 ARG CG C 27.245 0.100 1 1593 367 158 ARG N N 120.646 0.100 1 1594 368 159 ILE H H 8.254 0.020 1 1595 368 159 ILE HA H 4.196 0.020 1 1596 368 159 ILE HB H 1.853 0.020 1 1597 368 159 ILE HD1 H 0.849 0.020 1 1598 368 159 ILE HG12 H 1.191 0.020 2 1599 368 159 ILE HG13 H 1.485 0.020 2 1600 368 159 ILE HG2 H 0.875 0.020 1 1601 368 159 ILE CA C 61.167 0.100 1 1602 368 159 ILE CB C 38.616 0.100 1 1603 368 159 ILE CD1 C 12.790 0.100 1 1604 368 159 ILE CG1 C 27.378 0.100 1 1605 368 159 ILE CG2 C 17.580 0.100 1 1606 368 159 ILE N N 123.253 0.100 1 1607 369 160 VAL H H 8.317 0.020 1 1608 369 160 VAL HA H 4.229 0.020 1 1609 369 160 VAL HB H 2.086 0.020 1 1610 369 160 VAL HG1 H 0.943 0.020 2 1611 369 160 VAL HG2 H 0.950 0.020 2 1612 369 160 VAL CA C 62.315 0.100 1 1613 369 160 VAL CB C 32.928 0.100 1 1614 369 160 VAL CG1 C 20.649 0.100 2 1615 369 160 VAL CG2 C 21.400 0.100 2 1616 369 160 VAL N N 125.598 0.100 1 1617 370 161 THR H H 8.250 0.020 1 1618 370 161 THR HA H 4.414 0.020 1 1619 370 161 THR HB H 4.297 0.020 1 1620 370 161 THR HG2 H 1.178 0.020 1 1621 370 161 THR CA C 61.393 0.100 1 1622 370 161 THR CB C 70.085 0.100 1 1623 370 161 THR CG2 C 21.478 0.100 1 1624 370 161 THR N N 118.156 0.100 1 1625 371 162 ASP H H 7.927 0.020 1 1626 371 162 ASP HA H 4.403 0.020 1 1627 371 162 ASP HB2 H 2.566 0.020 2 1628 371 162 ASP HB3 H 2.668 0.020 2 1629 371 162 ASP CA C 56.051 0.100 1 1630 371 162 ASP CB C 42.408 0.100 1 1631 371 162 ASP N N 128.214 0.100 1 stop_ save_