data_26741 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and Partial Side-Chain Chemical Shift Assignments and Dynamics Measurements for The Catalytic Domain of Human Prolyl Hydroxylase Domain 2 (PHD2) With Zn(II) and 2-Oxoglutarate (2OG) ; _BMRB_accession_number 26741 _BMRB_flat_file_name bmr26741.str _Entry_type original _Submission_date 2016-02-04 _Accession_date 2016-02-04 _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 Leung Ivanhoe KH . 2 Schofield Christopher J. . 3 Claridge Timothy DW . 4 Landrieu Isabelle . . 5 Cantrelle Francois-Xavier . . 6 Hardy Adam P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 heteronucl_NOE 1 T1_relaxation 1 T2_relaxation 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 183 "13C chemical shifts" 564 "15N chemical shifts" 183 "T1 relaxation values" 173 "T2 relaxation values" 170 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-07-11 update BMRB 'update entry citation' 2016-08-26 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 26742 'PHD2 Zn(II) 2OG CODD' stop_ _Original_release_date 2016-08-26 save_ ############################# # Citation for this entry # ############################# save_Manuscript_in_Preparation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 2-Oxoglutarate regulates binding of hydroxylated hypoxia-inducible factor to prolyl hydroxylase domain 2. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29522057 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Abboud Martine I. . 2 McAllister Tom E. . 3 Leung Ivanhoe . . 4 Chowdhury Rasheduzzaman . . 5 Jorgensen Christian . . 6 Domene Carmen . . 7 Mecinovic Jasmin . . 8 Lippl Kerstin . . 9 Hancock Rebecca L. . 10 Hopkinson Richard J. . 11 Kawamura Akane . . 12 Claridge Timothy . . 13 Schofield Christopher J. . stop_ _Journal_abbreviation 'Chem. Commun. (Camb.)' _Journal_name_full 'Chemical communications (Cambridge, England)' _Journal_volume 54 _Journal_issue 25 _Journal_ISSN 1364-548X _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3130 _Page_last 3133 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name PHD2-Zn(II)-2OG _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PHD2 $PHD2 'ZINC ION' $entity_ZN Co-substrate $entity_AKG 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_PHD2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PHD2 _Molecular_mass . _Mol_thiol_state unknown _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 228 _Mol_residue_sequence ; GSHMASPNGQTKPLPALKLA LEYIVPCMNKHGICVVDDFL GKETGQQIGDEVRALHDTGK FTDGQLVSQKSDSSKDIRGD KITWIEGKEPGCETIGLLMS SMDDLIRHCNGKLGSYKING RTKAMVACYPGNGTGYVRHV DNPNGDGRCVTCIYYLNKDW DAKVSGGILRIFPEGKAQFA DIEPKFDRLLFFWSDRRNPH EVQPAYATRYAITVWYFDAD ERARAKVK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -6 GLY 2 -5 SER 3 -4 HIS 4 -3 MET 5 -2 ALA 6 -1 SER 7 181 PRO 8 182 ASN 9 183 GLY 10 184 GLN 11 185 THR 12 186 LYS 13 187 PRO 14 188 LEU 15 189 PRO 16 190 ALA 17 191 LEU 18 192 LYS 19 193 LEU 20 194 ALA 21 195 LEU 22 196 GLU 23 197 TYR 24 198 ILE 25 199 VAL 26 200 PRO 27 201 CYS 28 202 MET 29 203 ASN 30 204 LYS 31 205 HIS 32 206 GLY 33 207 ILE 34 208 CYS 35 209 VAL 36 210 VAL 37 211 ASP 38 212 ASP 39 213 PHE 40 214 LEU 41 215 GLY 42 216 LYS 43 217 GLU 44 218 THR 45 219 GLY 46 220 GLN 47 221 GLN 48 222 ILE 49 223 GLY 50 224 ASP 51 225 GLU 52 226 VAL 53 227 ARG 54 228 ALA 55 229 LEU 56 230 HIS 57 231 ASP 58 232 THR 59 233 GLY 60 234 LYS 61 235 PHE 62 236 THR 63 237 ASP 64 238 GLY 65 239 GLN 66 240 LEU 67 241 VAL 68 242 SER 69 243 GLN 70 244 LYS 71 245 SER 72 246 ASP 73 247 SER 74 248 SER 75 249 LYS 76 250 ASP 77 251 ILE 78 252 ARG 79 253 GLY 80 254 ASP 81 255 LYS 82 256 ILE 83 257 THR 84 258 TRP 85 259 ILE 86 260 GLU 87 261 GLY 88 262 LYS 89 263 GLU 90 264 PRO 91 265 GLY 92 266 CYS 93 267 GLU 94 268 THR 95 269 ILE 96 270 GLY 97 271 LEU 98 272 LEU 99 273 MET 100 274 SER 101 275 SER 102 276 MET 103 277 ASP 104 278 ASP 105 279 LEU 106 280 ILE 107 281 ARG 108 282 HIS 109 283 CYS 110 284 ASN 111 285 GLY 112 286 LYS 113 287 LEU 114 288 GLY 115 289 SER 116 290 TYR 117 291 LYS 118 292 ILE 119 293 ASN 120 294 GLY 121 295 ARG 122 296 THR 123 297 LYS 124 298 ALA 125 299 MET 126 300 VAL 127 301 ALA 128 302 CYS 129 303 TYR 130 304 PRO 131 305 GLY 132 306 ASN 133 307 GLY 134 308 THR 135 309 GLY 136 310 TYR 137 311 VAL 138 312 ARG 139 313 HIS 140 314 VAL 141 315 ASP 142 316 ASN 143 317 PRO 144 318 ASN 145 319 GLY 146 320 ASP 147 321 GLY 148 322 ARG 149 323 CYS 150 324 VAL 151 325 THR 152 326 CYS 153 327 ILE 154 328 TYR 155 329 TYR 156 330 LEU 157 331 ASN 158 332 LYS 159 333 ASP 160 334 TRP 161 335 ASP 162 336 ALA 163 337 LYS 164 338 VAL 165 339 SER 166 340 GLY 167 341 GLY 168 342 ILE 169 343 LEU 170 344 ARG 171 345 ILE 172 346 PHE 173 347 PRO 174 348 GLU 175 349 GLY 176 350 LYS 177 351 ALA 178 352 GLN 179 353 PHE 180 354 ALA 181 355 ASP 182 356 ILE 183 357 GLU 184 358 PRO 185 359 LYS 186 360 PHE 187 361 ASP 188 362 ARG 189 363 LEU 190 364 LEU 191 365 PHE 192 366 PHE 193 367 TRP 194 368 SER 195 369 ASP 196 370 ARG 197 371 ARG 198 372 ASN 199 373 PRO 200 374 HIS 201 375 GLU 202 376 VAL 203 377 GLN 204 378 PRO 205 379 ALA 206 380 TYR 207 381 ALA 208 382 THR 209 383 ARG 210 384 TYR 211 385 ALA 212 386 ILE 213 387 THR 214 388 VAL 215 389 TRP 216 390 TYR 217 391 PHE 218 392 ASP 219 393 ALA 220 394 ASP 221 395 GLU 222 396 ARG 223 397 ALA 224 398 ARG 225 399 ALA 226 400 LYS 227 401 VAL 228 402 LYS 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 "entity_ZN (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_ save_AKG _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_AKG (2-OXOGLUTARIC ACID)" _BMRB_code AKG _PDB_code AKG _Molecular_mass 146.098 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C1 C1 C . 0 . ? O1 O1 O . 0 . ? O2 O2 O . 0 . ? C2 C2 C . 0 . ? O5 O5 O . 0 . ? C3 C3 C . 0 . ? C4 C4 C . 0 . ? C5 C5 C . 0 . ? O3 O3 O . 0 . ? O4 O4 O . 0 . ? HO2 HO2 H . 0 . ? H31 H31 H . 0 . ? H32 H32 H . 0 . ? H41 H41 H . 0 . ? H42 H42 H . 0 . ? HO4 HO4 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name DOUB C1 O1 ? ? SING C1 O2 ? ? SING C1 C2 ? ? SING O2 HO2 ? ? DOUB C2 O5 ? ? SING C2 C3 ? ? SING C3 C4 ? ? SING C3 H31 ? ? SING C3 H32 ? ? SING C4 C5 ? ? SING C4 H41 ? ? SING C4 H42 ? ? DOUB C5 O3 ? ? SING C5 O4 ? ? SING O4 HO4 ? ? 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 $PHD2 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 $PHD2 'recombinant technology' . Escherichia coli . pET28 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Sample_Assignment _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PHD2 0.4 mM '[U-13C; U-15N; U-2H]' $entity_AKG 0.9167 mM 'natural abundance' $entity_ZN 0.6875 mM 'natural abundance' DSS 0.0667 mM 'natural abundance' TRIS 50 mM [U-2H] 'sodium azide' 0.02 % 'natural abundance' stop_ save_ save_Sample_T1T2NOE _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PHD2 1 mM [U-15N] $entity_ZN 1.5 mM 'natural abundance' $entity_AKG 2 mM 'natural abundance' TRIS 50 mM [U-2H] 'sodium azide' 0.02 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_Analysis _Saveframe_category software _Name Analysis _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_assignment _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_t1t2noe _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _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_Assignment save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $Sample_Assignment save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $Sample_Assignment save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $Sample_Assignment save_ save_3D_HNCOCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCOCACB' _Sample_label $Sample_Assignment save_ save_3D_HNCOCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCOCA' _Sample_label $Sample_Assignment save_ save_3D_HNCACO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACO' _Sample_label $Sample_Assignment save_ save_3D_Heteronuclear_NOE_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D Heteronuclear NOE' _Sample_label $Sample_T1T2NOE save_ save_3D_T1_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D T1' _Sample_label $Sample_T1T2NOE save_ save_3D_T2_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D T2' _Sample_label $Sample_T1T2NOE save_ save_2D_1H-15N_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $Sample_T1T2NOE save_ ####################### # Sample conditions # ####################### save_sample_conditions_assignment _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.6 . pH temperature 310 . K stop_ save_ save_sample_conditions_t1t2noe _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.6 . pH temperature 310 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HNCOCACB' '3D HNCOCA' '3D HNCACO' stop_ loop_ _Sample_label $Sample_Assignment stop_ _Sample_conditions_label $sample_conditions_assignment _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name PHD2 _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 1 181 7 PRO CA C 60.652 0.5 . 2 181 7 PRO CB C 28.312 0.5 . 3 182 8 ASN H H 8.27 0.05 . 4 182 8 ASN C C 173.15 0.5 . 5 182 8 ASN CA C 50.474 0.5 . 6 182 8 ASN CB C 35.835 0.5 . 7 182 8 ASN N N 117.774 0.1 . 8 183 9 GLY H H 8.323 0.05 . 9 183 9 GLY C C 171.486 0.5 . 10 183 9 GLY CA C 42.513 0.5 . 11 183 9 GLY N N 109.139 0.1 . 12 184 10 GLN H H 8.173 0.05 . 13 184 10 GLN C C 173.46 0.5 . 14 184 10 GLN CA C 52.721 0.5 . 15 184 10 GLN CB C 26.245 0.5 . 16 184 10 GLN N N 119.45 0.1 . 17 185 11 THR H H 8.135 0.05 . 18 185 11 THR C C 170.614 0.5 . 19 185 11 THR CA C 59.395 0.5 . 20 185 11 THR CB C 66.65 0.5 . 21 185 11 THR N N 116.477 0.1 . 22 186 12 LYS H H 8.034 0.05 . 23 186 12 LYS C C 172.248 0.5 . 24 186 12 LYS CA C 50.001 0.5 . 25 186 12 LYS CB C 30.344 0.5 . 26 186 12 LYS N N 121.998 0.1 . 27 187 13 PRO C C 174.02 0.5 . 28 187 13 PRO CA C 59.862 0.5 . 29 187 13 PRO CB C 28.546 0.5 . 30 188 14 LEU H H 8.366 0.05 . 31 188 14 LEU C C 172.875 0.5 . 32 188 14 LEU CA C 50.105 0.5 . 33 188 14 LEU CB C 38.872 0.5 . 34 188 14 LEU N N 123.259 0.1 . 35 189 15 PRO C C 174.947 0.5 . 36 189 15 PRO CA C 60.346 0.5 . 37 189 15 PRO CB C 28.098 0.5 . 38 190 16 ALA H H 8.463 0.05 . 39 190 16 ALA C C 175.556 0.5 . 40 190 16 ALA CA C 52.239 0.5 . 41 190 16 ALA CB C 15.667 0.5 . 42 190 16 ALA N N 123.622 0.1 . 43 191 17 LEU H H 7.891 0.05 . 44 191 17 LEU C C 175.556 0.5 . 45 191 17 LEU CA C 55.413 0.5 . 46 191 17 LEU CB C 38.44 0.5 . 47 191 17 LEU N N 116.732 0.1 . 48 192 18 LYS H H 7.125 0.05 . 49 192 18 LYS C C 175.709 0.5 . 50 192 18 LYS CA C 55.903 0.5 . 51 192 18 LYS CB C 29.195 0.5 . 52 192 18 LYS N N 116.864 0.1 . 53 193 19 LEU H H 8.122 0.05 . 54 193 19 LEU C C 176.844 0.5 . 55 193 19 LEU CA C 54.66 0.5 . 56 193 19 LEU N N 119.938 0.1 . 57 194 20 ALA H H 8.379 0.05 . 58 194 20 ALA C C 175.024 0.5 . 59 194 20 ALA CA C 52.551 0.5 . 60 194 20 ALA CB C 16.182 0.5 . 61 194 20 ALA N N 119.716 0.1 . 62 195 21 LEU H H 8.148 0.05 . 63 195 21 LEU C C 176.678 0.5 . 64 195 21 LEU CA C 54.504 0.5 . 65 195 21 LEU CB C 38.412 0.5 . 66 195 21 LEU N N 112.777 0.1 . 67 196 22 GLU H H 8.545 0.05 . 68 196 22 GLU C C 174.123 0.5 . 69 196 22 GLU CA C 53.608 0.5 . 70 196 22 GLU CB C 26.269 0.5 . 71 196 22 GLU N N 112.834 0.1 . 72 197 23 TYR H H 7.379 0.05 . 73 197 23 TYR C C 171.745 0.5 . 74 197 23 TYR CA C 57.422 0.5 . 75 197 23 TYR CB C 37.461 0.5 . 76 197 23 TYR N N 117.287 0.1 . 77 198 24 ILE H H 8.761 0.05 . 78 198 24 ILE C C 174.928 0.5 . 79 198 24 ILE CA C 62.627 0.5 . 80 198 24 ILE CB C 33.957 0.5 . 81 198 24 ILE N N 120.871 0.1 . 82 199 25 VAL H H 8.645 0.05 . 83 199 25 VAL C C 172.872 0.5 . 84 199 25 VAL CA C 65.727 0.5 . 85 199 25 VAL CB C 26.264 0.5 . 86 199 25 VAL N N 116.23 0.1 . 87 200 26 PRO C C 177.2 0.5 . 88 200 26 PRO CA C 62.521 0.5 . 89 200 26 PRO CB C 26.958 0.5 . 90 201 27 CYS H H 7.748 0.05 . 91 201 27 CYS C C 175.293 0.5 . 92 201 27 CYS CA C 61.134 0.5 . 93 201 27 CYS CB C 24.033 0.5 . 94 201 27 CYS N N 115.596 0.1 . 95 202 28 MET H H 8.755 0.05 . 96 202 28 MET C C 176.745 0.5 . 97 202 28 MET CA C 53.27 0.5 . 98 202 28 MET CB C 26.036 0.5 . 99 202 28 MET N N 117.557 0.1 . 100 203 29 ASN H H 8.451 0.05 . 101 203 29 ASN C C 174.214 0.5 . 102 203 29 ASN CA C 53.379 0.5 . 103 203 29 ASN CB C 34.823 0.5 . 104 203 29 ASN N N 116.312 0.1 . 105 204 30 LYS H H 7.839 0.05 . 106 204 30 LYS C C 174.862 0.5 . 107 204 30 LYS CA C 55.611 0.5 . 108 204 30 LYS CB C 29.958 0.5 . 109 204 30 LYS N N 117.697 0.1 . 110 205 31 HIS H H 8.457 0.05 . 111 205 31 HIS C C 174.834 0.5 . 112 205 31 HIS CA C 53.38 0.5 . 113 205 31 HIS CB C 30.357 0.5 . 114 205 31 HIS N N 113.923 0.1 . 115 206 32 GLY H H 8.445 0.05 . 116 206 32 GLY C C 168.409 0.5 . 117 206 32 GLY CA C 44.076 0.5 . 118 206 32 GLY N N 109.999 0.1 . 119 207 33 ILE H H 6.777 0.05 . 120 207 33 ILE C C 172.937 0.5 . 121 207 33 ILE CA C 56.971 0.5 . 122 207 33 ILE CB C 40.841 0.5 . 123 207 33 ILE N N 115.57 0.1 . 124 208 34 CYS H H 9.404 0.05 . 125 208 34 CYS C C 169.077 0.5 . 126 208 34 CYS CA C 55.983 0.5 . 127 208 34 CYS CB C 26.571 0.5 . 128 208 34 CYS N N 126.163 0.1 . 129 209 35 VAL H H 8.799 0.05 . 130 209 35 VAL C C 172.498 0.5 . 131 209 35 VAL CA C 58.73 0.5 . 132 209 35 VAL CB C 30.201 0.5 . 133 209 35 VAL N N 130.158 0.1 . 134 210 36 VAL C C 171.484 0.5 . 135 210 36 VAL CA C 58.397 0.5 . 136 210 36 VAL CB C 30.238 0.5 . 137 211 37 ASP H H 8.44 0.05 . 138 211 37 ASP C C 173.058 0.5 . 139 211 37 ASP CA C 51.409 0.5 . 140 211 37 ASP N N 125.571 0.1 . 141 212 38 ASP H H 8.716 0.05 . 142 212 38 ASP C C 174.427 0.5 . 143 212 38 ASP CA C 51.907 0.5 . 144 212 38 ASP CB C 35.982 0.5 . 145 212 38 ASP N N 117.648 0.1 . 146 213 39 PHE H H 8.501 0.05 . 147 213 39 PHE C C 173.674 0.5 . 148 213 39 PHE CA C 57.31 0.5 . 149 213 39 PHE CB C 36.22 0.5 . 150 213 39 PHE N N 117.103 0.1 . 151 214 40 LEU H H 10.602 0.05 . 152 214 40 LEU C C 176.679 0.5 . 153 214 40 LEU CA C 51.49 0.5 . 154 214 40 LEU CB C 40.508 0.5 . 155 214 40 LEU N N 117.825 0.1 . 156 215 41 GLY H H 10.346 0.05 . 157 215 41 GLY C C 171.333 0.5 . 158 215 41 GLY CA C 40.764 0.5 . 159 215 41 GLY N N 115.186 0.1 . 160 216 42 LYS H H 8.196 0.05 . 161 216 42 LYS C C 175.839 0.5 . 162 216 42 LYS CA C 57.152 0.5 . 163 216 42 LYS CB C 29.216 0.5 . 164 216 42 LYS N N 117.816 0.1 . 165 217 43 GLU H H 8.65 0.05 . 166 217 43 GLU C C 177.006 0.5 . 167 217 43 GLU CA C 57.454 0.5 . 168 217 43 GLU CB C 25.373 0.5 . 169 217 43 GLU N N 118.884 0.1 . 170 218 44 THR H H 8.679 0.05 . 171 218 44 THR C C 174.04 0.5 . 172 218 44 THR CA C 63.491 0.5 . 173 218 44 THR CB C 64.344 0.5 . 174 218 44 THR N N 118.134 0.1 . 175 219 45 GLY H H 8.616 0.05 . 176 219 45 GLY C C 174.04 0.5 . 177 219 45 GLY CA C 45.255 0.5 . 178 219 45 GLY N N 108.356 0.1 . 179 220 46 GLN H H 8.592 0.05 . 180 220 46 GLN C C 175.414 0.5 . 181 220 46 GLN CA C 55.885 0.5 . 182 220 46 GLN CB C 24.927 0.5 . 183 220 46 GLN N N 120.502 0.1 . 184 221 47 GLN H H 7.626 0.05 . 185 221 47 GLN C C 176.479 0.5 . 186 221 47 GLN CA C 56.197 0.5 . 187 221 47 GLN CB C 25.003 0.5 . 188 221 47 GLN N N 120.145 0.1 . 189 222 48 ILE H H 8.131 0.05 . 190 222 48 ILE C C 175.501 0.5 . 191 222 48 ILE CA C 63.122 0.5 . 192 222 48 ILE CB C 33.557 0.5 . 193 222 48 ILE N N 119.507 0.1 . 194 223 49 GLY H H 8.443 0.05 . 195 223 49 GLY C C 173.406 0.5 . 196 223 49 GLY CA C 44.932 0.5 . 197 223 49 GLY N N 106.786 0.1 . 198 224 50 ASP H H 8.489 0.05 . 199 224 50 ASP C C 176.98 0.5 . 200 224 50 ASP CA C 54.614 0.5 . 201 224 50 ASP CB C 36.678 0.5 . 202 224 50 ASP N N 122.921 0.1 . 203 225 51 GLU H H 8.219 0.05 . 204 225 51 GLU C C 178.01 0.5 . 205 225 51 GLU CA C 56.831 0.5 . 206 225 51 GLU CB C 25.781 0.5 . 207 225 51 GLU N N 122.784 0.1 . 208 226 52 VAL H H 8.621 0.05 . 209 226 52 VAL C C 175.038 0.5 . 210 226 52 VAL CA C 63.869 0.5 . 211 226 52 VAL CB C 27.668 0.5 . 212 226 52 VAL N N 119.794 0.1 . 213 227 53 ARG H H 8.318 0.05 . 214 227 53 ARG C C 175.928 0.5 . 215 227 53 ARG CA C 56.796 0.5 . 216 227 53 ARG CB C 26.244 0.5 . 217 227 53 ARG N N 119.921 0.1 . 218 228 54 ALA H H 7.891 0.05 . 219 228 54 ALA C C 178.516 0.5 . 220 228 54 ALA CA C 52.145 0.5 . 221 228 54 ALA CB C 14.292 0.5 . 222 228 54 ALA N N 120.628 0.1 . 223 229 55 LEU H H 7.724 0.05 . 224 229 55 LEU C C 176.005 0.5 . 225 229 55 LEU CA C 54.663 0.5 . 226 229 55 LEU CB C 38.857 0.5 . 227 229 55 LEU N N 119.38 0.1 . 228 230 56 HIS H H 8.117 0.05 . 229 230 56 HIS C C 176.756 0.5 . 230 230 56 HIS CA C 55.098 0.5 . 231 230 56 HIS CB C 27.356 0.5 . 232 230 56 HIS N N 119.145 0.1 . 233 231 57 ASP H H 8.987 0.05 . 234 231 57 ASP C C 174.861 0.5 . 235 231 57 ASP CA C 53.783 0.5 . 236 231 57 ASP CB C 37.394 0.5 . 237 231 57 ASP N N 120.746 0.1 . 238 232 58 THR H H 7.655 0.05 . 239 232 58 THR C C 173.289 0.5 . 240 232 58 THR CA C 59.339 0.5 . 241 232 58 THR CB C 66.757 0.5 . 242 232 58 THR N N 107.664 0.1 . 243 233 59 GLY H H 7.684 0.05 . 244 233 59 GLY CA C 43.821 0.5 . 245 233 59 GLY N N 108.383 0.1 . 246 234 60 LYS H H 7.712 0.05 . 247 234 60 LYS C C 174.663 0.5 . 248 234 60 LYS CA C 53.248 0.5 . 249 234 60 LYS CB C 28.8 0.5 . 250 234 60 LYS N N 116.003 0.1 . 251 235 61 PHE H H 8.46 0.05 . 252 235 61 PHE C C 174.041 0.5 . 253 235 61 PHE CA C 53.561 0.5 . 254 235 61 PHE CB C 35.494 0.5 . 255 235 61 PHE N N 118.397 0.1 . 256 236 62 THR H H 9.353 0.05 . 257 236 62 THR C C 171.681 0.5 . 258 236 62 THR CA C 57.264 0.5 . 259 236 62 THR CB C 68.355 0.5 . 260 236 62 THR N N 114.28 0.1 . 261 237 63 ASP H H 8.519 0.05 . 262 237 63 ASP C C 174.991 0.5 . 263 237 63 ASP CA C 53.308 0.5 . 264 237 63 ASP CB C 37.57 0.5 . 265 237 63 ASP N N 121.525 0.1 . 266 238 64 GLY H H 8.917 0.05 . 267 238 64 GLY C C 171.955 0.5 . 268 238 64 GLY CA C 43.417 0.5 . 269 238 64 GLY N N 113.187 0.1 . 270 239 65 GLN H H 8.509 0.05 . 271 239 65 GLN C C 173.577 0.5 . 272 239 65 GLN CA C 53.582 0.5 . 273 239 65 GLN CB C 25.696 0.5 . 274 239 65 GLN N N 118.854 0.1 . 275 240 66 LEU H H 7.778 0.05 . 276 240 66 LEU C C 175.813 0.5 . 277 240 66 LEU CA C 52.989 0.5 . 278 240 66 LEU CB C 38.509 0.5 . 279 240 66 LEU N N 120.074 0.1 . 280 241 67 VAL H H 7.949 0.05 . 281 241 67 VAL C C 174.253 0.5 . 282 241 67 VAL CA C 60.294 0.5 . 283 241 67 VAL CB C 28.669 0.5 . 284 241 67 VAL N N 118.665 0.1 . 285 242 68 SER H H 7.91 0.05 . 286 242 68 SER C C 172.033 0.5 . 287 242 68 SER CA C 55.641 0.5 . 288 242 68 SER CB C 60.665 0.5 . 289 242 68 SER N N 116.859 0.1 . 290 243 69 GLN H H 8.249 0.05 . 291 243 69 GLN C C 173.484 0.5 . 292 243 69 GLN CA C 53.324 0.5 . 293 243 69 GLN CB C 25.878 0.5 . 294 243 69 GLN N N 121.263 0.1 . 295 244 70 LYS H H 8.219 0.05 . 296 244 70 LYS C C 174.18 0.5 . 297 244 70 LYS CA C 53.468 0.5 . 298 244 70 LYS CB C 29.333 0.5 . 299 244 70 LYS N N 120.829 0.1 . 300 245 71 SER H H 8.272 0.05 . 301 245 71 SER C C 171.815 0.5 . 302 245 71 SER CA C 55.516 0.5 . 303 245 71 SER CB C 60.639 0.5 . 304 245 71 SER N N 115.774 0.1 . 305 246 72 ASP H H 8.342 0.05 . 306 246 72 ASP C C 173.823 0.5 . 307 246 72 ASP CA C 51.668 0.5 . 308 246 72 ASP CB C 37.803 0.5 . 309 246 72 ASP N N 121.171 0.1 . 310 247 73 SER H H 8.205 0.05 . 311 247 73 SER C C 172.22 0.5 . 312 247 73 SER CA C 55.686 0.5 . 313 247 73 SER CB C 60.408 0.5 . 314 247 73 SER N N 114.715 0.1 . 315 248 74 SER H H 8.218 0.05 . 316 248 74 SER C C 171.838 0.5 . 317 248 74 SER CA C 55.962 0.5 . 318 248 74 SER CB C 60.517 0.5 . 319 248 74 SER N N 117.163 0.1 . 320 249 75 LYS H H 8.175 0.05 . 321 249 75 LYS C C 173.453 0.5 . 322 249 75 LYS CA C 52.959 0.5 . 323 249 75 LYS CB C 29.282 0.5 . 324 249 75 LYS N N 121.873 0.1 . 325 250 76 ASP H H 8.212 0.05 . 326 250 76 ASP C C 173.163 0.5 . 327 250 76 ASP CA C 51.694 0.5 . 328 250 76 ASP CB C 37.576 0.5 . 329 250 76 ASP N N 121.143 0.1 . 330 251 77 ILE H H 8.116 0.05 . 331 251 77 ILE C C 172.218 0.5 . 332 251 77 ILE CA C 58.642 0.5 . 333 251 77 ILE CB C 35.242 0.5 . 334 251 77 ILE N N 121.5 0.1 . 335 252 78 ARG H H 7.999 0.05 . 336 252 78 ARG C C 173.384 0.5 . 337 252 78 ARG CA C 50.857 0.5 . 338 252 78 ARG CB C 29.147 0.5 . 339 252 78 ARG N N 118.176 0.1 . 340 253 79 GLY H H 8.864 0.05 . 341 253 79 GLY C C 170.362 0.5 . 342 253 79 GLY CA C 41.914 0.5 . 343 253 79 GLY N N 110.307 0.1 . 344 254 80 ASP H H 9.159 0.05 . 345 254 80 ASP C C 173.623 0.5 . 346 254 80 ASP CA C 49.386 0.5 . 347 254 80 ASP CB C 35.217 0.5 . 348 254 80 ASP N N 116.155 0.1 . 349 255 81 LYS H H 8.663 0.05 . 350 255 81 LYS C C 173.16 0.5 . 351 255 81 LYS CA C 50.883 0.5 . 352 255 81 LYS CB C 30.779 0.5 . 353 255 81 LYS N N 120.869 0.1 . 354 256 82 ILE H H 9.305 0.05 . 355 256 82 ILE C C 173.738 0.5 . 356 256 82 ILE CA C 56.071 0.5 . 357 256 82 ILE CB C 40.751 0.5 . 358 256 82 ILE N N 114.381 0.1 . 359 257 83 THR H H 8.295 0.05 . 360 257 83 THR C C 168.055 0.5 . 361 257 83 THR CA C 58.476 0.5 . 362 257 83 THR CB C 66.846 0.5 . 363 257 83 THR N N 113.907 0.1 . 364 258 84 TRP H H 8.03 0.05 . 365 258 84 TRP C C 174.046 0.5 . 366 258 84 TRP CA C 52.62 0.5 . 367 258 84 TRP CB C 27.883 0.5 . 368 258 84 TRP N N 124.116 0.1 . 369 259 85 ILE H H 9.89 0.05 . 370 259 85 ILE C C 172.276 0.5 . 371 259 85 ILE CA C 54.139 0.5 . 372 259 85 ILE CB C 37.062 0.5 . 373 259 85 ILE N N 125.147 0.1 . 374 260 86 GLU H H 11.338 0.05 . 375 260 86 GLU C C 175.143 0.5 . 376 260 86 GLU CA C 54.65 0.5 . 377 260 86 GLU CB C 27.925 0.5 . 378 260 86 GLU N N 128.467 0.1 . 379 261 87 GLY H H 10.078 0.05 . 380 261 87 GLY C C 169.572 0.5 . 381 261 87 GLY CA C 41.597 0.5 . 382 261 87 GLY N N 109.333 0.1 . 383 262 88 LYS H H 6.804 0.05 . 384 262 88 LYS C C 173.457 0.5 . 385 262 88 LYS CA C 52.066 0.5 . 386 262 88 LYS CB C 29.75 0.5 . 387 262 88 LYS N N 116.393 0.1 . 388 263 89 GLU H H 10.552 0.05 . 389 263 89 GLU C C 171.888 0.5 . 390 263 89 GLU CA C 53.625 0.5 . 391 263 89 GLU CB C 23.751 0.5 . 392 263 89 GLU N N 126.328 0.1 . 393 264 90 PRO CA C 60.624 0.5 . 394 264 90 PRO CB C 27.818 0.5 . 395 265 91 GLY H H 9.178 0.05 . 396 265 91 GLY C C 172.292 0.5 . 397 265 91 GLY CA C 42.543 0.5 . 398 265 91 GLY N N 114.078 0.1 . 399 266 92 CYS H H 7.754 0.05 . 400 266 92 CYS C C 172.9 0.5 . 401 266 92 CYS CA C 54.885 0.5 . 402 266 92 CYS CB C 25.379 0.5 . 403 266 92 CYS N N 115.291 0.1 . 404 267 93 GLU H H 9.07 0.05 . 405 267 93 GLU C C 177.022 0.5 . 406 267 93 GLU CA C 57.932 0.5 . 407 267 93 GLU CB C 25.753 0.5 . 408 267 93 GLU N N 119.846 0.1 . 409 268 94 THR H H 10.71 0.05 . 410 268 94 THR C C 175.059 0.5 . 411 268 94 THR CA C 63.195 0.5 . 412 268 94 THR CB C 21.026 0.5 . 413 268 94 THR N N 122.691 0.1 . 414 269 95 ILE H H 8.506 0.05 . 415 269 95 ILE C C 176.249 0.5 . 416 269 95 ILE CA C 63.617 0.5 . 417 269 95 ILE CB C 34.028 0.5 . 418 269 95 ILE N N 125.866 0.1 . 419 270 96 GLY H H 8.455 0.05 . 420 270 96 GLY C C 173.821 0.5 . 421 270 96 GLY CA C 44.954 0.5 . 422 270 96 GLY N N 106.596 0.1 . 423 271 97 LEU H H 7.751 0.05 . 424 271 97 LEU C C 177.742 0.5 . 425 271 97 LEU CA C 55.176 0.5 . 426 271 97 LEU CB C 37.621 0.5 . 427 271 97 LEU N N 125.794 0.1 . 428 281 107 ARG C C 177.282 0.5 . 429 281 107 ARG CA C 56.725 0.5 . 430 281 107 ARG CB C 25.961 0.5 . 431 282 108 HIS H H 7.608 0.05 . 432 282 108 HIS C C 173.675 0.5 . 433 282 108 HIS CA C 55.668 0.5 . 434 282 108 HIS CB C 27.326 0.5 . 435 282 108 HIS N N 116.303 0.1 . 436 283 109 CYS H H 7.661 0.05 . 437 283 109 CYS C C 172.341 0.5 . 438 283 109 CYS CA C 57.927 0.5 . 439 283 109 CYS CB C 24.567 0.5 . 440 283 109 CYS N N 114.294 0.1 . 441 284 110 ASN H H 7.728 0.05 . 442 284 110 ASN C C 173.233 0.5 . 443 284 110 ASN CA C 52.218 0.5 . 444 284 110 ASN CB C 35.073 0.5 . 445 284 110 ASN N N 117.965 0.1 . 446 285 111 GLY H H 8.79 0.05 . 447 285 111 GLY C C 172.371 0.5 . 448 285 111 GLY CA C 42.759 0.5 . 449 285 111 GLY N N 113.812 0.1 . 450 286 112 LYS H H 8.158 0.05 . 451 286 112 LYS C C 173.57 0.5 . 452 286 112 LYS CA C 52.5 0.5 . 453 286 112 LYS CB C 31.069 0.5 . 454 286 112 LYS N N 116.836 0.1 . 455 287 113 LEU H H 7.695 0.05 . 456 287 113 LEU C C 172.527 0.5 . 457 287 113 LEU CA C 50.175 0.5 . 458 287 113 LEU CB C 37.804 0.5 . 459 287 113 LEU N N 120.503 0.1 . 460 288 114 GLY H H 8.859 0.05 . 461 288 114 GLY C C 170.893 0.5 . 462 288 114 GLY CA C 43.87 0.5 . 463 288 114 GLY N N 113.7 0.1 . 464 289 115 SER H H 7.805 0.05 . 465 289 115 SER C C 172.037 0.5 . 466 289 115 SER CA C 54.124 0.5 . 467 289 115 SER CB C 59.719 0.5 . 468 289 115 SER N N 118.65 0.1 . 469 290 116 TYR H H 7.387 0.05 . 470 290 116 TYR C C 173.837 0.5 . 471 290 116 TYR CA C 55.302 0.5 . 472 290 116 TYR CB C 36.159 0.5 . 473 290 116 TYR N N 119.747 0.1 . 474 291 117 LYS H H 9.277 0.05 . 475 291 117 LYS C C 172.574 0.5 . 476 291 117 LYS CA C 52.175 0.5 . 477 291 117 LYS CB C 28.745 0.5 . 478 291 117 LYS N N 125.948 0.1 . 479 292 118 ILE H H 8.539 0.05 . 480 292 118 ILE C C 175.292 0.5 . 481 292 118 ILE CA C 58.303 0.5 . 482 292 118 ILE CB C 33.638 0.5 . 483 292 118 ILE N N 124.891 0.1 . 484 293 119 ASN H H 8.539 0.05 . 485 293 119 ASN C C 171.725 0.5 . 486 293 119 ASN CA C 49.707 0.5 . 487 293 119 ASN CB C 36.842 0.5 . 488 293 119 ASN N N 126.327 0.1 . 489 294 120 GLY H H 8.156 0.05 . 490 294 120 GLY C C 168.217 0.5 . 491 294 120 GLY CA C 41.68 0.5 . 492 294 120 GLY N N 109.297 0.1 . 493 295 121 ARG H H 8.058 0.05 . 494 295 121 ARG C C 174.278 0.5 . 495 295 121 ARG CA C 51.463 0.5 . 496 295 121 ARG CB C 28.265 0.5 . 497 295 121 ARG N N 112.604 0.1 . 498 296 122 THR H H 8.237 0.05 . 499 296 122 THR C C 173.279 0.5 . 500 296 122 THR CA C 59.102 0.5 . 501 296 122 THR CB C 69.82 0.5 . 502 296 122 THR N N 109.847 0.1 . 503 297 123 LYS H H 7.875 0.05 . 504 297 123 LYS C C 172.511 0.5 . 505 297 123 LYS CA C 54.975 0.5 . 506 297 123 LYS CB C 30.712 0.5 . 507 297 123 LYS N N 115.216 0.1 . 508 298 124 ALA H H 8.592 0.05 . 509 298 124 ALA C C 173.787 0.5 . 510 298 124 ALA CA C 48.615 0.5 . 511 298 124 ALA CB C 15.535 0.5 . 512 298 124 ALA N N 121.168 0.1 . 513 299 125 MET H H 9.85 0.05 . 514 299 125 MET C C 172.686 0.5 . 515 299 125 MET CA C 51.15 0.5 . 516 299 125 MET CB C 30.014 0.5 . 517 299 125 MET N N 126.043 0.1 . 518 300 126 VAL H H 8.674 0.05 . 519 300 126 VAL C C 171.321 0.5 . 520 300 126 VAL CA C 59.026 0.5 . 521 300 126 VAL CB C 27.754 0.5 . 522 300 126 VAL N N 129.731 0.1 . 523 301 127 ALA H H 9.02 0.05 . 524 301 127 ALA C C 173.356 0.5 . 525 301 127 ALA CA C 47.291 0.5 . 526 301 127 ALA CB C 21.371 0.5 . 527 301 127 ALA N N 127.327 0.1 . 528 302 128 CYS H H 9.118 0.05 . 529 302 128 CYS C C 172.684 0.5 . 530 302 128 CYS CA C 52.574 0.5 . 531 302 128 CYS CB C 27.903 0.5 . 532 302 128 CYS N N 119.564 0.1 . 533 303 129 TYR H H 9.175 0.05 . 534 303 129 TYR C C 173.431 0.5 . 535 303 129 TYR CB C 33.971 0.5 . 536 303 129 TYR N N 129.183 0.1 . 537 304 130 PRO C C 173.856 0.5 . 538 304 130 PRO CA C 60.195 0.5 . 539 304 130 PRO CB C 26.632 0.5 . 540 305 131 GLY H H 8.089 0.05 . 541 305 131 GLY C C 171.472 0.5 . 542 305 131 GLY CA C 42.676 0.5 . 543 305 131 GLY N N 107.267 0.1 . 544 306 132 ASN H H 8.811 0.05 . 545 306 132 ASN C C 172.557 0.5 . 546 306 132 ASN CA C 50.593 0.5 . 547 306 132 ASN CB C 34.635 0.5 . 548 306 132 ASN N N 117.001 0.1 . 549 307 133 GLY H H 8.204 0.05 . 550 307 133 GLY C C 171.632 0.5 . 551 307 133 GLY CA C 43.294 0.5 . 552 307 133 GLY N N 105.921 0.1 . 553 308 134 THR H H 7.42 0.05 . 554 308 134 THR C C 171.569 0.5 . 555 308 134 THR CA C 58.31 0.5 . 556 308 134 THR CB C 68.708 0.5 . 557 308 134 THR N N 110.897 0.1 . 558 309 135 GLY H H 8.188 0.05 . 559 309 135 GLY C C 169.157 0.5 . 560 309 135 GLY CA C 42.174 0.5 . 561 309 135 GLY N N 107.078 0.1 . 562 310 136 TYR H H 9.051 0.05 . 563 310 136 TYR C C 173.585 0.5 . 564 310 136 TYR CA C 52.896 0.5 . 565 310 136 TYR CB C 36.16 0.5 . 566 310 136 TYR N N 127.629 0.1 . 567 311 137 VAL H H 8.343 0.05 . 568 311 137 VAL C C 171.298 0.5 . 569 311 137 VAL CA C 59.585 0.5 . 570 311 137 VAL CB C 29.41 0.5 . 571 311 137 VAL N N 121.68 0.1 . 572 312 138 ARG H H 8.383 0.05 . 573 312 138 ARG C C 172.759 0.5 . 574 312 138 ARG CA C 53.894 0.5 . 575 312 138 ARG CB C 26.405 0.5 . 576 312 138 ARG N N 122.185 0.1 . 577 313 139 HIS H H 8.9 0.05 . 578 313 139 HIS C C 168.566 0.5 . 579 313 139 HIS CA C 52.311 0.5 . 580 313 139 HIS CB C 27.502 0.5 . 581 313 139 HIS N N 123.144 0.1 . 582 314 140 VAL H H 8.104 0.05 . 583 314 140 VAL C C 174.17 0.5 . 584 314 140 VAL CA C 56.752 0.5 . 585 314 140 VAL CB C 31.375 0.5 . 586 314 140 VAL N N 118.392 0.1 . 587 315 141 ASP H H 9.149 0.05 . 588 315 141 ASP C C 172.595 0.5 . 589 315 141 ASP CA C 55.297 0.5 . 590 315 141 ASP CB C 37.019 0.5 . 591 315 141 ASP N N 127.652 0.1 . 592 316 142 ASN H H 7.679 0.05 . 593 316 142 ASN C C 170.8 0.5 . 594 316 142 ASN CA C 46.313 0.5 . 595 316 142 ASN CB C 36.061 0.5 . 596 316 142 ASN N N 110.781 0.1 . 597 317 143 PRO C C 174.674 0.5 . 598 317 143 PRO CA C 60.326 0.5 . 599 317 143 PRO CB C 29.305 0.5 . 600 318 144 ASN H H 8.256 0.05 . 601 318 144 ASN C C 172.418 0.5 . 602 318 144 ASN CA C 49.817 0.5 . 603 318 144 ASN CB C 36.283 0.5 . 604 318 144 ASN N N 116.99 0.1 . 605 319 145 GLY H H 8.261 0.05 . 606 319 145 GLY C C 172.993 0.5 . 607 319 145 GLY CA C 44.557 0.5 . 608 319 145 GLY N N 112.318 0.1 . 609 320 146 ASP H H 9.147 0.05 . 610 320 146 ASP C C 174.039 0.5 . 611 320 146 ASP CA C 50.817 0.5 . 612 320 146 ASP CB C 37.665 0.5 . 613 320 146 ASP N N 119.451 0.1 . 614 321 147 GLY H H 9.526 0.05 . 615 321 147 GLY C C 171.601 0.5 . 616 321 147 GLY CA C 41.689 0.5 . 617 321 147 GLY N N 108.473 0.1 . 618 322 148 ARG H H 8.181 0.05 . 619 322 148 ARG C C 172.979 0.5 . 620 322 148 ARG CA C 54.711 0.5 . 621 322 148 ARG CB C 25.958 0.5 . 622 322 148 ARG N N 120.235 0.1 . 623 323 149 CYS H H 9.461 0.05 . 624 323 149 CYS C C 172.649 0.5 . 625 323 149 CYS CA C 53.682 0.5 . 626 323 149 CYS CB C 26.76 0.5 . 627 323 149 CYS N N 120.61 0.1 . 628 324 150 VAL H H 7.399 0.05 . 629 324 150 VAL C C 171.153 0.5 . 630 324 150 VAL CA C 59.365 0.5 . 631 324 150 VAL CB C 33.5 0.5 . 632 324 150 VAL N N 124.575 0.1 . 633 325 151 THR H H 8.93 0.05 . 634 325 151 THR CA C 58.602 0.5 . 635 325 151 THR CB C 66.622 0.5 . 636 325 151 THR N N 124.745 0.1 . 637 329 155 TYR C C 174.107 0.5 . 638 329 155 TYR CA C 55.596 0.5 . 639 329 155 TYR CB C 37.964 0.5 . 640 330 156 LEU H H 5.986 0.05 . 641 330 156 LEU C C 173.474 0.5 . 642 330 156 LEU CA C 51.932 0.5 . 643 330 156 LEU N N 113.589 0.1 . 644 331 157 ASN H H 6.58 0.05 . 645 331 157 ASN C C 170.622 0.5 . 646 331 157 ASN CA C 51.556 0.5 . 647 331 157 ASN CB C 35.968 0.5 . 648 331 157 ASN N N 115.665 0.1 . 649 332 158 LYS H H 9.087 0.05 . 650 332 158 LYS C C 173.615 0.5 . 651 332 158 LYS CA C 54.881 0.5 . 652 332 158 LYS CB C 29.161 0.5 . 653 332 158 LYS N N 129.574 0.1 . 654 333 159 ASP H H 9.041 0.05 . 655 333 159 ASP C C 172.182 0.5 . 656 333 159 ASP CA C 52.265 0.5 . 657 333 159 ASP CB C 36.162 0.5 . 658 333 159 ASP N N 121.787 0.1 . 659 334 160 TRP H H 7.667 0.05 . 660 334 160 TRP C C 173.203 0.5 . 661 334 160 TRP CA C 55.665 0.5 . 662 334 160 TRP CB C 25.909 0.5 . 663 334 160 TRP N N 119.19 0.1 . 664 335 161 ASP H H 8.134 0.05 . 665 335 161 ASP C C 173.679 0.5 . 666 335 161 ASP CA C 48.817 0.5 . 667 335 161 ASP N N 129.22 0.1 . 668 336 162 ALA C C 177.005 0.5 . 669 336 162 ALA CA C 51.377 0.5 . 670 336 162 ALA CB C 15.856 0.5 . 671 337 163 LYS H H 8.297 0.05 . 672 337 163 LYS CA C 56.097 0.5 . 673 337 163 LYS CB C 28.122 0.5 . 674 337 163 LYS N N 118.014 0.1 . 675 338 164 VAL H H 6.972 0.05 . 676 338 164 VAL C C 175.097 0.5 . 677 338 164 VAL CA C 60.074 0.5 . 678 338 164 VAL CB C 30.016 0.5 . 679 338 164 VAL N N 113.615 0.1 . 680 339 165 SER H H 8.343 0.05 . 681 339 165 SER CA C 56.294 0.5 . 682 339 165 SER CB C 59.425 0.5 . 683 339 165 SER N N 113.681 0.1 . 684 340 166 GLY H H 8.246 0.05 . 685 340 166 GLY C C 171.91 0.5 . 686 340 166 GLY CA C 42.962 0.5 . 687 340 166 GLY N N 111.751 0.1 . 688 341 167 GLY H H 7.896 0.05 . 689 341 167 GLY C C 171.477 0.5 . 690 341 167 GLY CA C 44.08 0.5 . 691 341 167 GLY N N 108.367 0.1 . 692 342 168 ILE H H 7.439 0.05 . 693 342 168 ILE C C 172.287 0.5 . 694 342 168 ILE CA C 58.819 0.5 . 695 342 168 ILE CB C 34.773 0.5 . 696 342 168 ILE N N 119.488 0.1 . 697 343 169 LEU H H 7.816 0.05 . 698 343 169 LEU C C 170.954 0.5 . 699 343 169 LEU CA C 50.753 0.5 . 700 343 169 LEU CB C 38.102 0.5 . 701 343 169 LEU N N 126.894 0.1 . 702 344 170 ARG H H 8.968 0.05 . 703 344 170 ARG CA C 51.242 0.5 . 704 344 170 ARG CB C 28.506 0.5 . 705 344 170 ARG N N 130.622 0.1 . 706 345 171 ILE H H 8.99 0.05 . 707 345 171 ILE C C 171.865 0.5 . 708 345 171 ILE CA C 56.692 0.5 . 709 345 171 ILE CB C 36.415 0.5 . 710 345 171 ILE N N 125.896 0.1 . 711 346 172 PHE H H 8.569 0.05 . 712 346 172 PHE C C 170.159 0.5 . 713 346 172 PHE CA C 51.178 0.5 . 714 346 172 PHE CB C 35.09 0.5 . 715 346 172 PHE N N 125.358 0.1 . 716 347 173 PRO C C 176.896 0.5 . 717 347 173 PRO CA C 60.216 0.5 . 718 347 173 PRO CB C 28.416 0.5 . 719 348 174 GLU H H 9.273 0.05 . 720 348 174 GLU C C 175.353 0.5 . 721 348 174 GLU CA C 55.184 0.5 . 722 348 174 GLU CB C 26.681 0.5 . 723 348 174 GLU N N 124.691 0.1 . 724 349 175 GLY H H 8.958 0.05 . 725 349 175 GLY C C 171.635 0.5 . 726 349 175 GLY CA C 42.556 0.5 . 727 349 175 GLY N N 112.093 0.1 . 728 350 176 LYS H H 7.684 0.05 . 729 350 176 LYS C C 173.525 0.5 . 730 350 176 LYS CA C 51.468 0.5 . 731 350 176 LYS CB C 30.183 0.5 . 732 350 176 LYS N N 118.733 0.1 . 733 351 177 ALA H H 8.429 0.05 . 734 351 177 ALA C C 174.887 0.5 . 735 351 177 ALA CA C 50.095 0.5 . 736 351 177 ALA CB C 15.511 0.5 . 737 351 177 ALA N N 122.562 0.1 . 738 352 178 GLN H H 7.461 0.05 . 739 352 178 GLN C C 172.428 0.5 . 740 352 178 GLN CA C 52.004 0.5 . 741 352 178 GLN CB C 27.043 0.5 . 742 352 178 GLN N N 115.311 0.1 . 743 353 179 PHE H H 7.053 0.05 . 744 353 179 PHE C C 171.729 0.5 . 745 353 179 PHE CA C 51.943 0.5 . 746 353 179 PHE CB C 36.486 0.5 . 747 353 179 PHE N N 118.988 0.1 . 748 354 180 ALA H H 9.089 0.05 . 749 354 180 ALA C C 171.625 0.5 . 750 354 180 ALA CA C 47.979 0.5 . 751 354 180 ALA CB C 17.285 0.5 . 752 354 180 ALA N N 124.29 0.1 . 753 355 181 ASP H H 8.285 0.05 . 754 355 181 ASP C C 173.552 0.5 . 755 355 181 ASP CA C 50.417 0.5 . 756 355 181 ASP CB C 38.504 0.5 . 757 355 181 ASP N N 123.272 0.1 . 758 356 182 ILE H H 9.773 0.05 . 759 356 182 ILE C C 172.647 0.5 . 760 356 182 ILE CA C 55.712 0.5 . 761 356 182 ILE CB C 34.15 0.5 . 762 356 182 ILE N N 126.188 0.1 . 763 357 183 GLU H H 8.457 0.05 . 764 357 183 GLU C C 173.88 0.5 . 765 357 183 GLU CA C 51.29 0.5 . 766 357 183 GLU CB C 25.849 0.5 . 767 357 183 GLU N N 125.609 0.1 . 768 358 184 PRO C C 173.101 0.5 . 769 358 184 PRO CA C 58.849 0.5 . 770 358 184 PRO CB C 25.025 0.5 . 771 359 185 LYS H H 7.554 0.05 . 772 359 185 LYS C C 170.395 0.5 . 773 359 185 LYS CA C 53.575 0.5 . 774 359 185 LYS CB C 30.976 0.5 . 775 359 185 LYS N N 122.201 0.1 . 776 360 186 PHE H H 7.243 0.05 . 777 360 186 PHE C C 172.74 0.5 . 778 360 186 PHE CA C 56.198 0.5 . 779 360 186 PHE CB C 36.283 0.5 . 780 360 186 PHE N N 118.927 0.1 . 781 361 187 ASP H H 7.791 0.05 . 782 361 187 ASP C C 169.38 0.5 . 783 361 187 ASP CA C 51.823 0.5 . 784 361 187 ASP CB C 37.289 0.5 . 785 361 187 ASP N N 125.616 0.1 . 786 366 192 PHE C C 172.795 0.5 . 787 366 192 PHE CA C 54.657 0.5 . 788 366 192 PHE CB C 37.122 0.5 . 789 367 193 TRP H H 7.215 0.05 . 790 367 193 TRP C C 175.929 0.5 . 791 367 193 TRP CA C 53.798 0.5 . 792 367 193 TRP CB C 27.852 0.5 . 793 367 193 TRP N N 117.554 0.1 . 794 368 194 SER H H 7.825 0.05 . 795 368 194 SER C C 171.432 0.5 . 796 368 194 SER CA C 57.132 0.5 . 797 368 194 SER CB C 60.806 0.5 . 798 368 194 SER N N 114.207 0.1 . 799 369 195 ASP H H 7.922 0.05 . 800 369 195 ASP CA C 49.97 0.5 . 801 369 195 ASP CB C 37.15 0.5 . 802 369 195 ASP N N 119.948 0.1 . 803 370 196 ARG H H 7.715 0.05 . 804 370 196 ARG C C 173.331 0.5 . 805 370 196 ARG CA C 54.708 0.5 . 806 370 196 ARG CB C 25.93 0.5 . 807 370 196 ARG N N 111.001 0.1 . 808 371 197 ARG H H 8.357 0.05 . 809 371 197 ARG C C 175.028 0.5 . 810 371 197 ARG CA C 56.576 0.5 . 811 371 197 ARG CB C 28.082 0.5 . 812 371 197 ARG N N 119.704 0.1 . 813 372 198 ASN H H 7.608 0.05 . 814 372 198 ASN C C 171.113 0.5 . 815 372 198 ASN CA C 47.952 0.5 . 816 372 198 ASN CB C 37.579 0.5 . 817 372 198 ASN N N 110.644 0.1 . 818 373 199 PRO C C 173.488 0.5 . 819 373 199 PRO CA C 61.024 0.5 . 820 373 199 PRO CB C 27.591 0.5 . 821 374 200 HIS H H 8.886 0.05 . 822 374 200 HIS C C 168.649 0.5 . 823 374 200 HIS CA C 52.292 0.5 . 824 374 200 HIS CB C 28.258 0.5 . 825 374 200 HIS N N 117.68 0.1 . 826 375 201 GLU H H 9.237 0.05 . 827 375 201 GLU C C 171.186 0.5 . 828 375 201 GLU CA C 50.338 0.5 . 829 375 201 GLU CB C 31.196 0.5 . 830 375 201 GLU N N 116.939 0.1 . 831 376 202 VAL H H 9.261 0.05 . 832 376 202 VAL C C 174.454 0.5 . 833 376 202 VAL CA C 59.172 0.5 . 834 376 202 VAL CB C 28.273 0.5 . 835 376 202 VAL N N 122.716 0.1 . 836 377 203 GLN H H 8.81 0.05 . 837 377 203 GLN C C 169.108 0.5 . 838 377 203 GLN CA C 52.285 0.5 . 839 377 203 GLN CB C 23.004 0.5 . 840 377 203 GLN N N 127.919 0.1 . 841 380 206 TYR C C 171.125 0.5 . 842 380 206 TYR CA C 54.815 0.5 . 843 380 206 TYR CB C 34.967 0.5 . 844 381 207 ALA H H 7.804 0.05 . 845 381 207 ALA C C 172.655 0.5 . 846 381 207 ALA CA C 47.427 0.5 . 847 381 207 ALA CB C 18.563 0.5 . 848 381 207 ALA N N 121.667 0.1 . 849 382 208 THR H H 8.257 0.05 . 850 382 208 THR CA C 61.81 0.5 . 851 382 208 THR CB C 65.308 0.5 . 852 382 208 THR N N 115.715 0.1 . 853 383 209 ARG H H 8.454 0.05 . 854 383 209 ARG C C 172.317 0.5 . 855 383 209 ARG CA C 51.063 0.5 . 856 383 209 ARG CB C 31.337 0.5 . 857 383 209 ARG N N 130.319 0.1 . 858 384 210 TYR H H 9.967 0.05 . 859 384 210 TYR C C 173.909 0.5 . 860 384 210 TYR CA C 54.121 0.5 . 861 384 210 TYR CB C 41.033 0.5 . 862 384 210 TYR N N 127.015 0.1 . 863 385 211 ALA H H 8.702 0.05 . 864 385 211 ALA C C 172.516 0.5 . 865 385 211 ALA CA C 49.328 0.5 . 866 385 211 ALA CB C 19.41 0.5 . 867 385 211 ALA N N 121.961 0.1 . 868 390 216 TYR C C 173.995 0.5 . 869 390 216 TYR CA C 55.073 0.5 . 870 390 216 TYR CB C 37.346 0.5 . 871 391 217 PHE H H 8.701 0.05 . 872 391 217 PHE C C 173.182 0.5 . 873 391 217 PHE CA C 52.995 0.5 . 874 391 217 PHE CB C 37.578 0.5 . 875 391 217 PHE N N 120.194 0.1 . 876 392 218 ASP H H 8.829 0.05 . 877 392 218 ASP C C 173.955 0.5 . 878 392 218 ASP CA C 49.918 0.5 . 879 392 218 ASP CB C 40.975 0.5 . 880 392 218 ASP N N 119.845 0.1 . 881 393 219 ALA H H 9.396 0.05 . 882 393 219 ALA C C 177.533 0.5 . 883 393 219 ALA CA C 52.104 0.5 . 884 393 219 ALA CB C 16.018 0.5 . 885 393 219 ALA N N 128.125 0.1 . 886 394 220 ASP H H 8.275 0.05 . 887 394 220 ASP C C 175.689 0.5 . 888 394 220 ASP CA C 54.005 0.5 . 889 394 220 ASP CB C 37.598 0.5 . 890 394 220 ASP N N 117.885 0.1 . 891 395 221 GLU H H 8.841 0.05 . 892 395 221 GLU C C 176.483 0.5 . 893 395 221 GLU CA C 56.751 0.5 . 894 395 221 GLU CB C 27.109 0.5 . 895 395 221 GLU N N 122.026 0.1 . 896 396 222 ARG H H 8.59 0.05 . 897 396 222 ARG C C 175.06 0.5 . 898 396 222 ARG CA C 55.195 0.5 . 899 396 222 ARG CB C 26.707 0.5 . 900 396 222 ARG N N 117.567 0.1 . 901 397 223 ALA H H 7.579 0.05 . 902 397 223 ALA C C 176.799 0.5 . 903 397 223 ALA CA C 51.153 0.5 . 904 397 223 ALA CB C 14.984 0.5 . 905 397 223 ALA N N 119.53 0.1 . 906 398 224 ARG H H 7.556 0.05 . 907 398 224 ARG C C 174.191 0.5 . 908 398 224 ARG CA C 54.133 0.5 . 909 398 224 ARG CB C 27.038 0.5 . 910 398 224 ARG N N 116.656 0.1 . 911 399 225 ALA H H 7.629 0.05 . 912 399 225 ALA C C 175.282 0.5 . 913 399 225 ALA CA C 50.029 0.5 . 914 399 225 ALA CB C 15.5 0.5 . 915 399 225 ALA N N 122.546 0.1 . 916 400 226 LYS H H 7.948 0.05 . 917 400 226 LYS C C 173.913 0.5 . 918 400 226 LYS CA C 53.38 0.5 . 919 400 226 LYS CB C 29.01 0.5 . 920 400 226 LYS N N 119.087 0.1 . 921 401 227 VAL H H 7.845 0.05 . 922 401 227 VAL C C 172.523 0.5 . 923 401 227 VAL CA C 59.276 0.5 . 924 401 227 VAL CB C 29.117 0.5 . 925 401 227 VAL N N 119.969 0.1 . 926 402 228 LYS H H 7.796 0.05 . 927 402 228 LYS C C 178.475 0.5 . 928 402 228 LYS CA C 54.714 0.5 . 929 402 228 LYS CB C 30.137 0.5 . 930 402 228 LYS N N 129.097 0.1 . stop_ save_ save_heteronuclear_T1_list_1 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $Sample_T1T2NOE stop_ _Sample_conditions_label $sample_conditions_t1t2noe _Spectrometer_frequency_1H 900 _T1_coherence_type Iz _T1_value_units s _Mol_system_component_name PHD2 _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 8 ASN H 1.09824 . 2 9 GLY H 0.83776 . 3 10 GLN H 0.81299 . 4 11 THR H 0.92643 . 5 12 LYS H 1.01494 . 6 16 ALA H 1.51302 . 7 17 LEU H 1.40534 . 8 18 LYS H 1.54472 . 9 19 LEU H 1.38518 . 10 20 ALA H 1.46948 . 11 21 LEU H 1.51847 . 12 22 GLU H 1.5892 . 13 23 TYR H 1.50507 . 14 24 ILE H 1.64727 . 15 25 VAL H 1.50003 . 16 27 CYS H 1.52719 . 17 29 ASN H 1.55291 . 18 30 LYS H 1.50719 . 19 31 HIS H 1.51422 . 20 32 GLY H 1.56316 . 21 33 ILE H 1.47861 . 22 34 CYS H 1.57293 . 23 35 VAL H 1.53196 . 24 38 ASP H 1.59373 . 25 39 PHE H 1.51788 . 26 40 LEU H 1.6138 . 27 41 GLY H 1.54965 . 28 42 LYS H 1.43899 . 29 43 GLU H 1.52658 . 30 44 THR H 1.54967 . 31 45 GLY H 1.46562 . 32 46 GLN H 1.48652 . 33 47 GLN H 1.51484 . 34 48 ILE H 1.67183 . 35 49 GLY H 1.52122 . 36 50 ASP H 1.50326 . 37 51 GLU H 1.37113 . 38 52 VAL H 1.56104 . 39 53 ARG H 1.46948 . 40 54 ALA H 1.47229 . 41 55 LEU H 1.52416 . 42 56 HIS H 1.38518 . 43 57 ASP H 1.6554 . 44 58 THR H 1.51481 . 45 59 GLY H 1.32292 . 46 60 LYS H 1.31066 . 47 61 PHE H 1.53346 . 48 62 THR H 1.53778 . 49 63 ASP H 1.37983 . 50 64 GLY H 1.35115 . 51 65 GLN H 1.23844 . 52 66 LEU H 1.16243 . 53 67 VAL H 1.09782 . 54 68 SER H 0.91248 . 55 69 GLN H 0.84996 . 56 70 LYS H 0.8535 . 57 72 ASP H 0.83104 . 58 73 SER H 0.8657 . 59 74 SER H 0.83529 . 60 75 LYS H 0.87093 . 61 76 ASP H 0.99672 . 62 77 ILE H 1.23661 . 63 78 ARG H 1.4191 . 64 79 GLY H 1.47663 . 65 80 ASP H 1.42193 . 66 81 LYS H 1.61848 . 67 82 ILE H 1.64674 . 68 83 THR H 1.57918 . 69 84 TRP H 1.64457 . 70 85 ILE H 1.54779 . 71 86 GLU H 1.50825 . 72 87 GLY H 1.4706 . 73 88 LYS H 1.60914 . 74 89 GLU H 1.42351 . 75 91 GLY H 1.59533 . 76 92 CYS H 1.5453 . 77 93 GLU H 1.42771 . 78 94 THR H 1.40006 . 79 96 GLY H 1.52615 . 80 97 LEU H 1.493 . 81 100 SER H 1.48405 . 82 101 SER H 1.47702 . 83 103 ASP H 1.53665 . 84 109 CYS H 1.35092 . 85 110 ASN H 1.33256 . 86 113 LEU H 1.53278 . 87 114 GLY H 1.60991 . 88 115 SER H 1.37212 . 89 116 TYR H 1.51297 . 90 117 LYS H 1.70794 . 91 118 ILE H 1.6562 . 92 119 ASN H 1.46215 . 93 120 GLY H 1.03763 . 94 121 ARG H 1.38677 . 95 122 THR H 1.422 . 96 123 LYS H 1.66652 . 97 124 ALA H 1.46171 . 98 125 MET H 1.56699 . 99 126 VAL H 1.64662 . 100 127 ALA H 1.51662 . 101 128 CYS H 1.61072 . 102 129 TYR H 1.63125 . 103 131 GLY H 1.61979 . 104 133 GLY H 1.46564 . 105 134 THR H 1.47083 . 106 135 GLY H 1.46292 . 107 136 TYR H 1.51662 . 108 137 VAL H 1.47158 . 109 139 HIS H 1.5076 . 110 140 VAL H 1.69972 . 111 141 ASP H 1.56039 . 112 142 ASN H 1.70476 . 113 145 GLY H 1.59261 . 114 146 ASP H 1.55766 . 115 147 GLY H 1.45308 . 116 148 ARG H 1.45571 . 117 149 CYS H 1.47587 . 118 150 VAL H 1.48657 . 119 156 LEU H 1.70433 . 120 157 ASN H 1.49213 . 121 158 LYS H 1.36663 . 122 159 ASP H 1.387 . 123 160 TRP H 1.60878 . 124 161 ASP H 1.63579 . 125 163 LYS H 1.48128 . 126 164 VAL H 1.70325 . 127 165 SER H 1.617 . 128 166 GLY H 1.46138 . 129 167 GLY H 1.43669 . 130 168 ILE H 1.27693 . 131 169 LEU H 1.58294 . 132 170 ARG H 1.45994 . 133 171 ILE H 1.63639 . 134 172 PHE H 1.57539 . 135 174 GLU H 1.45626 . 136 175 GLY H 1.35096 . 137 176 LYS H 1.34014 . 138 177 ALA H 1.43189 . 139 178 GLN H 1.496 . 140 179 PHE H 1.51152 . 141 180 ALA H 1.6406 . 142 181 ASP H 1.72389 . 143 182 ILE H 1.68447 . 144 183 GLU H 1.5164 . 145 185 LYS H 1.52454 . 146 186 PHE H 1.67403 . 147 187 ASP H 1.45475 . 148 193 TRP H 1.4706 . 149 194 SER H 1.56666 . 150 195 ASP H 1.48234 . 151 196 ARG H 1.51314 . 152 197 ARG H 1.47702 . 153 198 ASN H 1.52147 . 154 200 HIS H 1.50079 . 155 201 GLU H 1.55755 . 156 202 VAL H 1.66188 . 157 203 GLN H 1.54566 . 158 207 ALA H 1.62949 . 159 209 ARG H 1.57066 . 160 210 TYR H 1.655 . 161 211 ALA H 1.59936 . 162 217 PHE H 1.5582 . 163 218 ASP H 1.69667 . 164 219 ALA H 1.47835 . 165 220 ASP H 1.48128 . 166 221 GLU H 1.40462 . 167 222 ARG H 1.32683 . 168 223 ALA H 1.28889 . 169 224 ARG H 1.23189 . 170 225 ALA H 1.10082 . 171 226 LYS H 0.94274 . 172 227 VAL H 0.873 . 173 228 LYS H 0.94712 . stop_ save_ save_heteronuclear_T2_list_1 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $Sample_T1T2NOE stop_ _Sample_conditions_label $sample_conditions_t1t2noe _Spectrometer_frequency_1H 900 _T2_coherence_type I(+,-) _T2_value_units ms _Mol_system_component_name PHD2 _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 8 ASN H 107.33112 . . . 2 9 GLY H 137.8769 . . . 3 10 GLN H 166.38924 . . . 4 11 THR H 56.3642 . . . 5 12 LYS H 80.3706 . . . 6 16 ALA H 37.64064 . . . 7 17 LEU H 19.67063 . . . 8 18 LYS H 36.27881 . . . 9 19 LEU H 39.06526 . . . 10 20 ALA H 40.46796 . . . 11 21 LEU H 29.34917 . . . 12 22 GLU H 33.11676 . . . 13 23 TYR H 34.8398 . . . 14 24 ILE H 31.72735 . . . 15 25 VAL H 34.41385 . . . 16 27 CYS H 33.56839 . . . 17 29 ASN H 32.04088 . . . 18 30 LYS H 40.86218 . . . 19 31 HIS H 40.22879 . . . 20 32 GLY H 36.00463 . . . 21 33 ILE H 36.1911 . . . 22 34 CYS H 33.80105 . . . 23 35 VAL H 33.09776 . . . 24 38 ASP H 36.36085 . . . 25 39 PHE H 29.00277 . . . 26 40 LEU H 33.69198 . . . 27 41 GLY H 37.00561 . . . 28 42 LYS H 44.32268 . . . 29 43 GLU H 35.23697 . . . 30 44 THR H 36.43474 . . . 31 45 GLY H 23.57502 . . . 32 46 GLN H 36.58016 . . . 33 47 GLN H 35.53428 . . . 34 48 ILE H 44.93541 . . . 35 49 GLY H 32.22641 . . . 36 50 ASP H 35.78529 . . . 37 51 GLU H 50.14523 . . . 38 52 VAL H 37.04334 . . . 39 53 ARG H 35.38439 . . . 40 54 ALA H 31.40008 . . . 41 55 LEU H 33.98485 . . . 42 56 HIS H 39.06526 . . . 43 57 ASP H 37.70681 . . . 44 58 THR H 38.00768 . . . 45 59 GLY H 41.62733 . . . 46 60 LYS H 40.99775 . . . 47 61 PHE H 37.73852 . . . 48 62 THR H 35.38517 . . . 49 63 ASP H 44.47985 . . . 50 64 GLY H 37.65334 . . . 51 65 GLN H 43.89655 . . . 52 66 LEU H 31.4102 . . . 53 67 VAL H 53.04848 . . . 54 68 SER H 71.15417 . . . 55 69 GLN H 94.02524 . . . 56 70 LYS H 104.36132 . . . 57 72 ASP H 118.3814 . . . 58 73 SER H 122.50685 . . . 59 74 SER H 114.42152 . . . 60 75 LYS H 103.48812 . . . 61 76 ASP H 94.02524 . . . 62 77 ILE H 51.9298 . . . 63 78 ARG H 21.15111 . . . 64 79 GLY H 34.21607 . . . 65 80 ASP H 34.48341 . . . 66 81 LYS H 36.57569 . . . 67 82 ILE H 43.62136 . . . 68 83 THR H 35.50413 . . . 69 84 TRP H 42.59242 . . . 70 85 ILE H 41.52638 . . . 71 86 GLU H 39.0222 . . . 72 87 GLY H 39.70364 . . . 73 88 LYS H 41.19849 . . . 74 89 GLU H 38.45302 . . . 75 91 GLY H 39.63886 . . . 76 92 CYS H 40.11354 . . . 77 93 GLU H 34.06141 . . . 78 94 THR H 25.93407 . . . 79 96 GLY H 31.95504 . . . 80 97 LEU H 36.86355 . . . 81 103 ASP H 35.46605 . . . 82 109 CYS H 37.90519 . . . 83 110 ASN H 26.14674 . . . 84 113 LEU H 45.64648 . . . 85 114 GLY H 38.51275 . . . 86 115 SER H 36.68566 . . . 87 116 TYR H 38.5329 . . . 88 117 LYS H 42.87306 . . . 89 118 ILE H 42.74445 . . . 90 119 ASN H 38.92456 . . . 91 120 GLY H 61.83912 . . . 92 121 ARG H 29.34917 . . . 93 122 THR H 35.55678 . . . 94 123 LYS H 38.03547 . . . 95 124 ALA H 35.94729 . . . 96 125 MET H 38.9247 . . . 97 126 VAL H 36.23236 . . . 98 127 ALA H 32.8187 . . . 99 128 CYS H 39.62098 . . . 100 129 TYR H 34.6519 . . . 101 131 GLY H 33.09697 . . . 102 133 GLY H 35.4066 . . . 103 134 THR H 16.3932 . . . 104 135 GLY H 13.31023 . . . 105 136 TYR H 32.8187 . . . 106 137 VAL H 49.0933 . . . 107 139 HIS H 35.09454 . . . 108 140 VAL H 37.24898 . . . 109 141 ASP H 37.35536 . . . 110 142 ASN H 41.06279 . . . 111 145 GLY H 42.10821 . . . 112 146 ASP H 35.22477 . . . 113 147 GLY H 37.80111 . . . 114 148 ARG H 38.17501 . . . 115 149 CYS H 32.59404 . . . 116 150 VAL H 38.22587 . . . 117 156 LEU H 35.89605 . . . 118 157 ASN H 40.39483 . . . 119 158 LYS H 34.84672 . . . 120 159 ASP H 18.71102 . . . 121 160 TRP H 33.7609 . . . 122 161 ASP H 32.40143 . . . 123 163 LYS H 37.52644 . . . 124 164 VAL H 36.01443 . . . 125 165 SER H 43.59413 . . . 126 166 GLY H 34.39743 . . . 127 167 GLY H 32.97165 . . . 128 168 ILE H 31.59817 . . . 129 169 LEU H 48.41156 . . . 130 170 ARG H 30.68542 . . . 131 171 ILE H 38.50695 . . . 132 172 PHE H 41.5778 . . . 133 174 GLU H 39.48587 . . . 134 175 GLY H 39.48587 . . . 135 176 LYS H 48.44132 . . . 136 177 ALA H 56.08435 . . . 137 178 GLN H 65.51448 . . . 138 179 PHE H 45.58413 . . . 139 180 ALA H 39.27143 . . . 140 181 ASP H 54.73945 . . . 141 182 ILE H 38.86369 . . . 142 183 GLU H 39.44454 . . . 143 185 LYS H 35.5714 . . . 144 186 PHE H 34.32651 . . . 145 187 ASP H 45.66856 . . . 146 193 TRP H 33.75026 . . . 147 194 SER H 37.7064 . . . 148 195 ASP H 36.20745 . . . 149 196 ARG H 38.67222 . . . 150 197 ARG H 34.31769 . . . 151 198 ASN H 53.5165 . . . 152 200 HIS H 35.93298 . . . 153 201 GLU H 35.41375 . . . 154 202 VAL H 38.34631 . . . 155 203 GLN H 35.40234 . . . 156 207 ALA H 35.73746 . . . 157 209 ARG H 26.14816 . . . 158 210 TYR H 38.94578 . . . 159 211 ALA H 38.43538 . . . 160 217 PHE H 36.7502 . . . 161 218 ASP H 36.75283 . . . 162 219 ALA H 40.01171 . . . 163 221 GLU H 29.62755 . . . 164 222 ARG H 35.46605 . . . 165 223 ALA H 41.64221 . . . 166 224 ARG H 49.69629 . . . 167 225 ALA H 58.92316 . . . 168 226 LYS H 102.20434 . . . 169 227 VAL H 194.611 . . . 170 228 LYS H 286.79479 . . . stop_ save_ save_heteronuclear_noe_list_1 _Saveframe_category heteronuclear_NOE _Details . loop_ _Experiment_label '3D Heteronuclear NOE' '2D 1H-15N HSQC' stop_ loop_ _Sample_label $Sample_T1T2NOE stop_ _Sample_conditions_label $sample_conditions_t1t2noe _Spectrometer_frequency_1H 900 _Mol_system_component_name PHD2 _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'peak integral' _NOE_reference_value 20000000 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 8 ASN 0.2393 . 9 GLY 0.23 . 10 GLN 0.2416 . 11 THR 0.4058 . 12 LYS 0.4133 . 16 ALA 0.9105 . 17 LEU 0.805 . 18 LYS 0.7214 . 19 LEU 0.7024 . 20 ALA 0.8882 . 21 LEU 0.8774 . 22 GLU 0.8625 . 23 TYR 0.8473 . 24 ILE 0.9031 . 25 VAL 0.8926 . 27 CYS 0.8647 . 29 ASN 0.918 . 30 LYS 0.8346 . 31 HIS 0.9106 . 32 GLY 0.8623 . 33 ILE 0.9155 . 34 CYS 0.897 . 35 VAL 0.8592 . 38 ASP 0.8888 . 39 PHE 0.9394 . 40 LEU 0.8869 . 41 GLY 0.8569 . 43 GLU 0.8312 . 44 THR 0.83 . 45 GLY 0.8571 . 46 GLN 0.8114 . 47 GLN 0.8825 . 48 ILE 0.8805 . 49 GLY 0.9155 . 50 ASP 0.911 . 51 GLU 0.8985 . 52 VAL 0.8446 . 53 ARG 0.9012 . 54 ALA 0.8718 . 55 LEU 0.8494 . 56 HIS 0.7214 . 57 ASP 0.882 . 58 THR 0.8226 . 59 GLY 0.7558 . 60 LYS 0.7346 . 61 PHE 0.7641 . 62 THR 0.7917 . 63 ASP 0.7569 . 64 GLY 0.7702 . 65 GLN 0.7545 . 66 LEU 0.6302 . 67 VAL 0.5619 . 68 SER 0.5667 . 69 GLN 0.5091 . 70 LYS 0.4499 . 72 ASP 0.4691 . 73 SER 0.4512 . 74 SER 0.4827 . 75 LYS 0.4557 . 76 ASP 0.5421 . 77 ILE 0.6391 . 78 ARG 0.8801 . 79 GLY 0.8148 . 80 ASP 0.9081 . 81 LYS 0.8811 . 82 ILE 0.8496 . 83 THR 0.9072 . 84 TRP 0.8634 . 85 ILE 0.8978 . 86 GLU 0.8385 . 87 GLY 0.8259 . 88 LYS 0.7337 . 89 GLU 0.8529 . 91 GLY 0.824 . 92 CYS 0.8372 . 93 GLU 0.8688 . 94 THR 0.8623 . 96 GLY 0.9008 . 97 LEU 0.8773 . 98 LEU 0.876 . 103 ASP 0.8154 . 104 ASP 0.8208 . 109 CYS 0.8665 . 110 ASN 0.8357 . 111 GLY 0.8361 . 113 LEU 0.8071 . 114 GLY 0.7227 . 115 SER 0.7556 . 116 TYR 0.8247 . 117 LYS 0.7806 . 118 ILE 0.8151 . 119 ASN 0.748 . 120 GLY 0.691 . 121 ARG 0.897 . 122 THR 0.8897 . 123 LYS 0.851 . 124 ALA 0.884 . 125 MET 0.8903 . 126 VAL 0.8958 . 127 ALA 0.8734 . 128 CYS 0.8798 . 129 TYR 0.9173 . 131 GLY 0.8219 . 133 GLY 0.8476 . 134 THR 0.8745 . 135 GLY 0.8227 . 136 TYR 0.9312 . 137 VAL 0.9329 . 139 HIS 0.9185 . 140 VAL 0.8773 . 141 ASP 0.9099 . 142 ASN 0.8839 . 145 GLY 0.833 . 146 ASP 0.8928 . 147 GLY 0.8864 . 148 ARG 0.9077 . 149 CYS 0.9052 . 150 VAL 0.8913 . 156 LEU 0.8656 . 157 ASN 0.8593 . 158 LYS 0.8361 . 159 ASP 0.7531 . 160 TRP 0.7588 . 161 ASP 0.8837 . 163 LYS 0.8 . 164 VAL 0.7398 . 165 SER 0.8267 . 166 GLY 0.8779 . 167 GLY 0.965 . 168 ILE 0.928 . 169 LEU 0.8952 . 170 ARG 0.8689 . 171 ILE 0.9137 . 172 PHE 0.8908 . 174 GLU 0.776 . 175 GLY 0.6463 . 176 LYS 0.6925 . 177 ALA 0.5769 . 178 GLN 0.4244 . 179 PHE 0.5682 . 180 ALA 0.8371 . 181 ASP 0.8741 . 182 ILE 0.8749 . 183 GLU 0.8773 . 185 LYS 0.8669 . 186 PHE 0.824 . 187 ASP 0.8577 . 193 TRP 0.9085 . 194 SER 0.9343 . 195 ASP 0.8435 . 196 ARG 0.8464 . 197 ARG 0.8876 . 198 ASN 0.863 . 200 HIS 0.8678 . 201 GLU 0.9227 . 202 VAL 0.9042 . 203 GLN 0.9071 . 207 ALA 0.8796 . 209 ARG 0.9184 . 210 TYR 0.8849 . 211 ALA 0.8906 . 217 PHE 0.8886 . 218 ASP 0.8416 . 219 ALA 0.8721 . 220 ASP 0.7517 . 221 GLU 0.8105 . 222 ARG 0.7977 . 223 ALA 0.7834 . 224 ARG 0.6846 . 225 ALA 0.6172 . 226 LYS 0.3434 . 227 VAL 0.186 . 228 LYS -0.0578 . stop_ save_