data_26788 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N backbone resonance assignments and 15N relaxation data of the PDZ tandem of Whirlin ; _BMRB_accession_number 26788 _BMRB_flat_file_name bmr26788.str _Entry_type original _Submission_date 2016-04-26 _Accession_date 2016-04-26 _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 Delhommel Florent . . 2 Wolff Nicolas . . 3 Cordier Florence . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 T1_relaxation 1 T2_relaxation 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 214 "13C chemical shifts" 652 "15N chemical shifts" 214 "T1 relaxation values" 173 "T2 relaxation values" 181 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-09-29 update BMRB 'update entry citation' 2016-09-02 original author 'original release' stop_ _Original_release_date 2016-09-02 save_ ############################# # Citation for this entry # ############################# save_entry_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 13C and 15N backbone resonance assignments and dynamic properties of the PDZ tandem of Whirlin ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27394726 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Delhommel Florent . . 2 Wolff Nicolas . . 3 Cordier Florence . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume 10 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 361 _Page_last 365 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Whirlin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Whirlin PDZ1-PDZ2' $Whirlin_PDZ1-PDZ2 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_Whirlin_PDZ1-PDZ2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Whirlin_PDZ1-PDZ2 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 253 _Mol_residue_sequence ; GAMGSGEVRLVSLRRAKAHE GLGFSIRGGSEHGVGIYVSL VEPGSLAEKEGLRVGDQILR VNDKSLARVTHAEAVKALKG SKKLVLSVYSAGRIPGGYVT NHIYTWVDPQGRSTSPPSSL PQPHGSTLRQREDDRRSTLH LLQSGDEKKVNLVLGDGRSL GLTIRGGAEYGLGIYITGVD PGSEAESSGLKVGDQILEVN GRSFLNILHDEAVKLLKSSR HLILTVKDVGRLPHARTTVD QTKWIASSRIGES ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 132 GLY 2 133 ALA 3 134 MET 4 135 GLY 5 136 SER 6 137 GLY 7 138 GLU 8 139 VAL 9 140 ARG 10 141 LEU 11 142 VAL 12 143 SER 13 144 LEU 14 145 ARG 15 146 ARG 16 147 ALA 17 148 LYS 18 149 ALA 19 150 HIS 20 151 GLU 21 152 GLY 22 153 LEU 23 154 GLY 24 155 PHE 25 156 SER 26 157 ILE 27 158 ARG 28 159 GLY 29 160 GLY 30 161 SER 31 162 GLU 32 163 HIS 33 164 GLY 34 165 VAL 35 166 GLY 36 167 ILE 37 168 TYR 38 169 VAL 39 170 SER 40 171 LEU 41 172 VAL 42 173 GLU 43 174 PRO 44 175 GLY 45 176 SER 46 177 LEU 47 178 ALA 48 179 GLU 49 180 LYS 50 181 GLU 51 182 GLY 52 183 LEU 53 184 ARG 54 185 VAL 55 186 GLY 56 187 ASP 57 188 GLN 58 189 ILE 59 190 LEU 60 191 ARG 61 192 VAL 62 193 ASN 63 194 ASP 64 195 LYS 65 196 SER 66 197 LEU 67 198 ALA 68 199 ARG 69 200 VAL 70 201 THR 71 202 HIS 72 203 ALA 73 204 GLU 74 205 ALA 75 206 VAL 76 207 LYS 77 208 ALA 78 209 LEU 79 210 LYS 80 211 GLY 81 212 SER 82 213 LYS 83 214 LYS 84 215 LEU 85 216 VAL 86 217 LEU 87 218 SER 88 219 VAL 89 220 TYR 90 221 SER 91 222 ALA 92 223 GLY 93 224 ARG 94 225 ILE 95 226 PRO 96 227 GLY 97 228 GLY 98 229 TYR 99 230 VAL 100 231 THR 101 232 ASN 102 233 HIS 103 234 ILE 104 235 TYR 105 236 THR 106 237 TRP 107 238 VAL 108 239 ASP 109 240 PRO 110 241 GLN 111 242 GLY 112 243 ARG 113 244 SER 114 245 THR 115 246 SER 116 247 PRO 117 248 PRO 118 249 SER 119 250 SER 120 251 LEU 121 252 PRO 122 253 GLN 123 254 PRO 124 255 HIS 125 256 GLY 126 257 SER 127 258 THR 128 259 LEU 129 260 ARG 130 261 GLN 131 262 ARG 132 263 GLU 133 264 ASP 134 265 ASP 135 266 ARG 136 267 ARG 137 268 SER 138 269 THR 139 270 LEU 140 271 HIS 141 272 LEU 142 273 LEU 143 274 GLN 144 275 SER 145 276 GLY 146 277 ASP 147 278 GLU 148 279 LYS 149 280 LYS 150 281 VAL 151 282 ASN 152 283 LEU 153 284 VAL 154 285 LEU 155 286 GLY 156 287 ASP 157 288 GLY 158 289 ARG 159 290 SER 160 291 LEU 161 292 GLY 162 293 LEU 163 294 THR 164 295 ILE 165 296 ARG 166 297 GLY 167 298 GLY 168 299 ALA 169 300 GLU 170 301 TYR 171 302 GLY 172 303 LEU 173 304 GLY 174 305 ILE 175 306 TYR 176 307 ILE 177 308 THR 178 309 GLY 179 310 VAL 180 311 ASP 181 312 PRO 182 313 GLY 183 314 SER 184 315 GLU 185 316 ALA 186 317 GLU 187 318 SER 188 319 SER 189 320 GLY 190 321 LEU 191 322 LYS 192 323 VAL 193 324 GLY 194 325 ASP 195 326 GLN 196 327 ILE 197 328 LEU 198 329 GLU 199 330 VAL 200 331 ASN 201 332 GLY 202 333 ARG 203 334 SER 204 335 PHE 205 336 LEU 206 337 ASN 207 338 ILE 208 339 LEU 209 340 HIS 210 341 ASP 211 342 GLU 212 343 ALA 213 344 VAL 214 345 LYS 215 346 LEU 216 347 LEU 217 348 LYS 218 349 SER 219 350 SER 220 351 ARG 221 352 HIS 222 353 LEU 223 354 ILE 224 355 LEU 225 356 THR 226 357 VAL 227 358 LYS 228 359 ASP 229 360 VAL 230 361 GLY 231 362 ARG 232 363 LEU 233 364 PRO 234 365 HIS 235 366 ALA 236 367 ARG 237 368 THR 238 369 THR 239 370 VAL 240 371 ASP 241 372 GLN 242 373 THR 243 374 LYS 244 375 TRP 245 376 ILE 246 377 ALA 247 378 SER 248 379 SER 249 380 ARG 250 381 ILE 251 382 GLY 252 383 GLU 253 384 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Whirlin_PDZ1-PDZ2 'house mouse' 10090 Eukaryota Metazoa Mus musculus 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 $Whirlin_PDZ1-PDZ2 'recombinant technology' . Escherichia coli . 'pGST-parallel 2' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Whirlin_PDZ1-PDZ2 175 uM '[U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' NaCl 150 mM 'natural abundance' Tris-HCl 50 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Whirlin_PDZ1-PDZ2 600 uM '[U-100% 13C; U-100% 15N; U-80% 2H]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' NaCl 150 mM 'natural abundance' Tris-HCl 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_CCPNMR_Analysis _Saveframe_category software _Name CCPNMR_Analysis _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _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_2 save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HN(CA)CO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_2 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_15N_T1_experiment_7 _Saveframe_category NMR_applied_experiment _Experiment_name '15N T1 experiment' _Sample_label $sample_1 save_ save_15N_T2_experiment_8 _Saveframe_category NMR_applied_experiment _Experiment_name '15N T2 experiment' _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' 150 . mM pH 7.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 150 . mM pH 6 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 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 HN(CA)CO' '3D HNCACB' stop_ loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_2 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Whirlin PDZ1-PDZ2' _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 1 133 2 ALA C C 177.849 0.000 1 2 133 2 ALA CA C 52.221 0.000 1 3 133 2 ALA CB C 18.721 0.000 1 4 134 3 MET H H 8.492 0.003 1 5 134 3 MET C C 176.673 0.002 1 6 134 3 MET CA C 55.227 0.004 1 7 134 3 MET CB C 32.067 0.010 1 8 134 3 MET N N 119.933 0.036 1 9 135 4 GLY H H 8.398 0.003 1 10 135 4 GLY C C 174.197 0.015 1 11 135 4 GLY CA C 44.933 0.008 1 12 135 4 GLY N N 110.642 0.032 1 13 136 5 SER H H 8.283 0.003 1 14 136 5 SER C C 174.972 0.019 1 15 136 5 SER CA C 58.148 0.002 1 16 136 5 SER CB C 63.812 0.015 1 17 136 5 SER N N 116.030 0.037 1 18 137 6 GLY H H 8.363 0.003 1 19 137 6 GLY C C 173.270 0.009 1 20 137 6 GLY CA C 44.936 0.010 1 21 137 6 GLY N N 110.964 0.037 1 22 138 7 GLU H H 8.060 0.003 1 23 138 7 GLU C C 175.121 0.006 1 24 138 7 GLU CA C 55.434 0.009 1 25 138 7 GLU CB C 31.349 0.042 1 26 138 7 GLU N N 119.473 0.029 1 27 139 8 VAL H H 8.252 0.002 1 28 139 8 VAL C C 175.701 0.001 1 29 139 8 VAL CA C 61.002 0.003 1 30 139 8 VAL CB C 32.028 0.002 1 31 139 8 VAL N N 122.612 0.026 1 32 140 9 ARG H H 9.170 0.002 1 33 140 9 ARG C C 173.618 0.003 1 34 140 9 ARG CA C 53.432 0.026 1 35 140 9 ARG CB C 32.086 0.001 1 36 140 9 ARG N N 126.563 0.041 1 37 141 10 LEU H H 8.360 0.003 1 38 141 10 LEU C C 177.493 0.001 1 39 141 10 LEU CA C 53.151 0.003 1 40 141 10 LEU CB C 42.159 0.004 1 41 141 10 LEU N N 121.712 0.049 1 42 142 11 VAL H H 9.116 0.003 1 43 142 11 VAL C C 174.306 0.001 1 44 142 11 VAL CA C 61.030 0.001 1 45 142 11 VAL CB C 34.058 0.007 1 46 142 11 VAL N N 126.013 0.022 1 47 143 12 SER H H 9.034 0.006 1 48 143 12 SER C C 173.294 0.000 1 49 143 12 SER CA C 56.740 0.000 1 50 143 12 SER CB C 63.659 0.007 1 51 143 12 SER N N 123.665 0.023 1 52 144 13 LEU H H 8.963 0.004 1 53 144 13 LEU C C 175.404 0.000 1 54 144 13 LEU CA C 52.892 0.008 1 55 144 13 LEU CB C 43.334 0.005 1 56 144 13 LEU N N 124.355 0.011 1 57 145 14 ARG H H 7.979 0.003 1 58 145 14 ARG C C 174.792 0.003 1 59 145 14 ARG CA C 54.786 0.036 1 60 145 14 ARG CB C 30.857 0.065 1 61 145 14 ARG N N 122.445 0.009 1 62 146 15 ARG H H 8.377 0.007 1 63 146 15 ARG C C 175.731 0.000 1 64 146 15 ARG CA C 55.188 0.025 1 65 146 15 ARG CB C 30.322 0.013 1 66 146 15 ARG N N 122.599 0.022 1 67 147 16 ALA H H 8.658 0.003 1 68 147 16 ALA C C 177.979 0.000 1 69 147 16 ALA CA C 53.069 0.022 1 70 147 16 ALA CB C 19.123 0.009 1 71 147 16 ALA N N 125.304 0.025 1 72 148 17 LYS H H 7.889 0.003 1 73 148 17 LYS C C 176.547 0.000 1 74 148 17 LYS CA C 54.371 0.053 1 75 148 17 LYS CB C 33.846 0.042 1 76 148 17 LYS N N 116.483 0.011 1 77 149 18 ALA H H 8.646 0.003 1 78 149 18 ALA C C 177.973 0.000 1 79 149 18 ALA CA C 53.764 0.033 1 80 149 18 ALA CB C 17.743 0.000 1 81 149 18 ALA N N 123.553 0.019 1 82 150 19 HIS H H 8.031 0.002 1 83 150 19 HIS C C 174.745 0.000 1 84 150 19 HIS CA C 55.599 0.011 1 85 150 19 HIS CB C 28.654 0.008 1 86 150 19 HIS N N 112.391 0.020 1 87 151 20 GLU H H 7.444 0.002 1 88 151 20 GLU C C 176.680 0.000 1 89 151 20 GLU CA C 56.185 0.022 1 90 151 20 GLU CB C 30.268 0.032 1 91 151 20 GLU N N 121.233 0.004 1 92 152 21 GLY H H 8.575 0.003 1 93 152 21 GLY C C 174.304 0.000 1 94 152 21 GLY CA C 44.700 0.006 1 95 152 21 GLY N N 110.170 0.022 1 96 153 22 LEU H H 8.491 0.004 1 97 153 22 LEU C C 178.043 0.000 1 98 153 22 LEU CA C 55.818 0.009 1 99 153 22 LEU CB C 42.258 0.059 1 100 153 22 LEU N N 120.699 0.014 1 101 154 23 GLY H H 8.492 0.003 1 102 154 23 GLY C C 172.200 0.003 1 103 154 23 GLY CA C 44.972 0.015 1 104 154 23 GLY N N 104.636 0.029 1 105 155 24 PHE H H 7.080 0.003 1 106 155 24 PHE C C 173.082 0.002 1 107 155 24 PHE CA C 54.929 0.011 1 108 155 24 PHE CB C 40.566 0.018 1 109 155 24 PHE N N 112.069 0.050 1 110 156 25 SER H H 8.574 0.005 1 111 156 25 SER C C 173.712 0.009 1 112 156 25 SER CA C 56.202 0.020 1 113 156 25 SER CB C 65.734 0.001 1 114 156 25 SER N N 115.268 0.042 1 115 157 26 ILE H H 8.549 0.004 1 116 157 26 ILE C C 175.726 0.021 1 117 157 26 ILE CA C 58.482 0.003 1 118 157 26 ILE CB C 42.561 0.044 1 119 157 26 ILE N N 114.453 0.022 1 120 158 27 ARG H H 9.490 0.005 1 121 158 27 ARG C C 174.054 0.013 1 122 158 27 ARG CA C 53.706 0.009 1 123 158 27 ARG CB C 33.446 0.045 1 124 158 27 ARG N N 120.000 0.037 1 125 159 28 GLY H H 8.655 0.014 1 126 159 28 GLY C C 174.332 0.003 1 127 159 28 GLY CA C 43.721 0.035 1 128 159 28 GLY N N 108.143 0.057 1 129 160 29 GLY H H 7.547 0.008 1 130 160 29 GLY C C 176.591 0.000 1 131 160 29 GLY CA C 43.610 0.016 1 132 160 29 GLY N N 108.794 0.057 1 133 161 30 SER H H 9.032 0.002 1 134 161 30 SER C C 177.600 0.000 1 135 161 30 SER CA C 61.094 0.000 1 136 161 30 SER CB C 62.421 0.000 1 137 161 30 SER N N 119.186 0.008 1 138 162 31 GLU H H 11.020 0.006 1 139 162 31 GLU C C 176.905 0.000 1 140 162 31 GLU CA C 58.578 0.007 1 141 162 31 GLU CB C 26.651 0.017 1 142 162 31 GLU N N 128.084 0.020 1 143 163 32 HIS H H 8.262 0.002 1 144 163 32 HIS C C 175.221 0.000 1 145 163 32 HIS CA C 54.496 0.003 1 146 163 32 HIS CB C 30.305 0.002 1 147 163 32 HIS N N 118.289 0.009 1 148 164 33 GLY H H 7.971 0.004 1 149 164 33 GLY C C 173.777 0.000 1 150 164 33 GLY CA C 45.668 0.026 1 151 164 33 GLY N N 107.870 0.059 1 152 165 34 VAL H H 7.317 0.003 1 153 165 34 VAL C C 176.197 0.000 1 154 165 34 VAL CA C 59.305 0.017 1 155 165 34 VAL CB C 36.260 0.081 1 156 165 34 VAL N N 112.040 0.025 1 157 166 35 GLY H H 8.438 0.003 1 158 166 35 GLY C C 170.622 0.000 1 159 166 35 GLY CA C 43.574 0.003 1 160 166 35 GLY N N 107.992 0.033 1 161 167 36 ILE H H 8.297 0.004 1 162 167 36 ILE C C 174.909 0.011 1 163 167 36 ILE CA C 56.917 0.000 1 164 167 36 ILE CB C 34.847 0.010 1 165 167 36 ILE N N 118.227 0.023 1 166 168 37 TYR H H 8.814 0.004 1 167 168 37 TYR C C 175.793 0.007 1 168 168 37 TYR CA C 55.127 0.004 1 169 168 37 TYR CB C 41.797 0.001 1 170 168 37 TYR N N 123.933 0.028 1 171 169 38 VAL H H 9.202 0.002 1 172 169 38 VAL C C 176.981 0.007 1 173 169 38 VAL CA C 62.883 0.083 1 174 169 38 VAL CB C 30.909 0.048 1 175 169 38 VAL N N 121.888 0.060 1 176 170 39 SER H H 9.453 0.009 1 177 170 39 SER C C 173.822 0.033 1 178 170 39 SER CA C 58.115 0.033 1 179 170 39 SER CB C 64.621 0.074 1 180 170 39 SER N N 126.031 0.068 1 181 171 40 LEU H H 7.204 0.003 1 182 171 40 LEU C C 174.761 0.002 1 183 171 40 LEU CA C 55.892 0.003 1 184 171 40 LEU CB C 44.876 0.012 1 185 171 40 LEU N N 124.316 0.057 1 186 172 41 VAL H H 8.412 0.002 1 187 172 41 VAL C C 175.502 0.006 1 188 172 41 VAL CA C 61.688 0.007 1 189 172 41 VAL CB C 33.522 0.005 1 190 172 41 VAL N N 124.265 0.037 1 191 173 42 GLU H H 9.066 0.005 1 192 173 42 GLU C C 175.165 0.000 1 193 173 42 GLU CA C 54.221 0.000 1 194 173 42 GLU CB C 28.606 0.000 1 195 173 42 GLU N N 129.675 0.022 1 196 174 43 PRO C C 178.563 0.000 1 197 174 43 PRO CA C 62.918 0.000 1 198 174 43 PRO CB C 30.933 0.000 1 199 175 44 GLY H H 9.418 0.002 1 200 175 44 GLY C C 173.873 0.000 1 201 175 44 GLY CA C 45.269 0.056 1 202 175 44 GLY N N 113.593 0.006 1 203 176 45 SER H H 7.571 0.003 1 204 176 45 SER C C 175.185 0.003 1 205 176 45 SER CA C 57.446 0.039 1 206 176 45 SER CB C 66.403 0.007 1 207 176 45 SER N N 114.264 0.030 1 208 177 46 LEU H H 8.884 0.005 1 209 177 46 LEU C C 178.685 0.004 1 210 177 46 LEU CA C 57.807 0.003 1 211 177 46 LEU CB C 40.179 0.010 1 212 177 46 LEU N N 122.898 0.044 1 213 178 47 ALA H H 8.149 0.003 1 214 178 47 ALA C C 177.843 0.001 1 215 178 47 ALA CA C 55.132 0.011 1 216 178 47 ALA CB C 17.631 0.061 1 217 178 47 ALA N N 118.195 0.061 1 218 179 48 GLU H H 7.755 0.003 1 219 179 48 GLU C C 180.814 0.001 1 220 179 48 GLU CA C 58.928 0.013 1 221 179 48 GLU CB C 29.300 0.009 1 222 179 48 GLU N N 117.968 0.036 1 223 180 49 LYS H H 8.311 0.006 1 224 180 49 LYS C C 178.882 0.005 1 225 180 49 LYS CA C 59.166 0.017 1 226 180 49 LYS CB C 31.592 0.015 1 227 180 49 LYS N N 122.534 0.020 1 228 181 50 GLU H H 8.213 0.004 1 229 181 50 GLU C C 176.749 0.015 1 230 181 50 GLU CA C 55.300 0.014 1 231 181 50 GLU CB C 28.617 0.054 1 232 181 50 GLU N N 115.398 0.023 1 233 182 51 GLY H H 7.585 0.003 1 234 182 51 GLY C C 174.930 0.005 1 235 182 51 GLY CA C 45.414 0.010 1 236 182 51 GLY N N 105.203 0.047 1 237 183 52 LEU H H 7.952 0.004 1 238 183 52 LEU C C 175.322 0.003 1 239 183 52 LEU CA C 55.111 0.001 1 240 183 52 LEU CB C 42.154 0.006 1 241 183 52 LEU N N 123.033 0.048 1 242 184 53 ARG H H 8.532 0.003 1 243 184 53 ARG C C 175.890 0.007 1 244 184 53 ARG CA C 53.458 0.002 1 245 184 53 ARG CB C 32.591 0.006 1 246 184 53 ARG N N 123.456 0.041 1 247 185 54 VAL H H 8.419 0.003 1 248 185 54 VAL C C 177.490 0.033 1 249 185 54 VAL CA C 64.703 0.005 1 250 185 54 VAL CB C 30.487 0.019 1 251 185 54 VAL N N 120.748 0.045 1 252 186 55 GLY H H 9.042 0.003 1 253 186 55 GLY C C 174.475 0.009 1 254 186 55 GLY CA C 44.190 0.009 1 255 186 55 GLY N N 116.225 0.043 1 256 187 56 ASP H H 8.050 0.004 1 257 187 56 ASP C C 175.290 0.021 1 258 187 56 ASP CA C 55.451 0.003 1 259 187 56 ASP CB C 40.352 0.015 1 260 187 56 ASP N N 122.485 0.081 1 261 188 57 GLN H H 8.992 0.013 1 262 188 57 GLN C C 176.216 0.016 1 263 188 57 GLN CA C 53.349 0.018 1 264 188 57 GLN CB C 29.518 0.024 1 265 188 57 GLN N N 122.831 0.051 1 266 189 58 ILE H H 8.688 0.003 1 267 189 58 ILE C C 174.798 0.001 1 268 189 58 ILE CA C 60.665 0.090 1 269 189 58 ILE CB C 36.251 0.005 1 270 189 58 ILE N N 125.727 0.037 1 271 190 59 LEU H H 9.103 0.003 1 272 190 59 LEU C C 178.901 0.000 1 273 190 59 LEU CA C 55.705 0.001 1 274 190 59 LEU CB C 41.780 0.042 1 275 190 59 LEU N N 127.037 0.040 1 276 191 60 ARG H H 7.576 0.003 1 277 191 60 ARG C C 173.882 0.000 1 278 191 60 ARG CA C 54.707 0.004 1 279 191 60 ARG CB C 34.451 0.010 1 280 191 60 ARG N N 117.191 0.063 1 281 192 61 VAL H H 8.579 0.003 1 282 192 61 VAL C C 174.716 0.013 1 283 192 61 VAL CA C 59.590 0.003 1 284 192 61 VAL CB C 32.759 0.032 1 285 192 61 VAL N N 121.259 0.019 1 286 193 62 ASN H H 9.586 0.004 1 287 193 62 ASN C C 174.370 0.000 1 288 193 62 ASN CA C 54.960 0.000 1 289 193 62 ASN CB C 35.445 0.000 1 290 193 62 ASN N N 127.546 0.032 1 291 194 63 ASP C C 174.986 0.000 1 292 195 64 LYS H H 8.389 0.002 1 293 195 64 LYS C C 175.731 0.005 1 294 195 64 LYS CA C 54.681 0.060 1 295 195 64 LYS CB C 32.601 0.011 1 296 195 64 LYS N N 122.330 0.078 1 297 196 65 SER H H 8.825 0.003 1 298 196 65 SER C C 176.255 0.004 1 299 196 65 SER CA C 58.135 0.001 1 300 196 65 SER CB C 63.333 0.022 1 301 196 65 SER N N 119.446 0.042 1 302 197 66 LEU H H 8.313 0.003 1 303 197 66 LEU C C 176.681 0.003 1 304 197 66 LEU CA C 52.937 0.014 1 305 197 66 LEU CB C 38.721 0.007 1 306 197 66 LEU N N 126.625 0.050 1 307 198 67 ALA H H 8.075 0.002 1 308 198 67 ALA C C 178.327 0.003 1 309 198 67 ALA CA C 54.737 0.004 1 310 198 67 ALA CB C 17.941 0.009 1 311 198 67 ALA N N 125.115 0.026 1 312 199 68 ARG H H 8.628 0.003 1 313 199 68 ARG C C 175.505 0.000 1 314 199 68 ARG CA C 55.147 0.017 1 315 199 68 ARG CB C 28.816 0.013 1 316 199 68 ARG N N 116.486 0.030 1 317 200 69 VAL H H 7.331 0.003 1 318 200 69 VAL C C 177.202 0.004 1 319 200 69 VAL CA C 59.479 0.017 1 320 200 69 VAL CB C 33.126 0.000 1 321 200 69 VAL N N 114.206 0.040 1 322 201 70 THR H H 8.517 0.008 1 323 201 70 THR C C 175.855 0.000 1 324 201 70 THR CA C 60.571 0.002 1 325 201 70 THR CB C 70.957 0.014 1 326 201 70 THR N N 114.290 0.025 1 327 202 71 HIS H H 10.214 0.003 1 328 202 71 HIS C C 177.293 0.000 1 329 202 71 HIS CA C 61.753 0.002 1 330 202 71 HIS CB C 29.178 0.009 1 331 202 71 HIS N N 122.810 0.017 1 332 203 72 ALA H H 9.100 0.003 1 333 203 72 ALA C C 181.416 0.000 1 334 203 72 ALA CA C 54.686 0.003 1 335 203 72 ALA CB C 17.690 0.007 1 336 203 72 ALA N N 118.140 0.034 1 337 204 73 GLU H H 7.785 0.003 1 338 204 73 GLU C C 179.545 0.000 1 339 204 73 GLU CA C 58.446 0.010 1 340 204 73 GLU CB C 29.379 0.020 1 341 204 73 GLU N N 118.879 0.015 1 342 205 74 ALA H H 8.204 0.006 1 343 205 74 ALA C C 178.282 0.000 1 344 205 74 ALA CA C 54.884 0.019 1 345 205 74 ALA CB C 18.103 0.044 1 346 205 74 ALA N N 124.194 0.062 1 347 206 75 VAL H H 8.162 0.010 1 348 206 75 VAL C C 178.701 0.000 1 349 206 75 VAL CA C 66.518 0.008 1 350 206 75 VAL CB C 30.936 0.000 1 351 206 75 VAL N N 116.974 0.008 1 352 207 76 LYS H H 7.625 0.005 1 353 207 76 LYS C C 179.383 0.019 1 354 207 76 LYS CA C 59.122 0.015 1 355 207 76 LYS CB C 31.651 0.036 1 356 207 76 LYS N N 118.171 0.084 1 357 208 77 ALA H H 7.745 0.003 1 358 208 77 ALA C C 179.376 0.008 1 359 208 77 ALA CA C 53.902 0.004 1 360 208 77 ALA CB C 17.098 0.023 1 361 208 77 ALA N N 121.036 0.024 1 362 209 78 LEU H H 7.630 0.008 1 363 209 78 LEU C C 176.927 0.000 1 364 209 78 LEU CA C 55.593 0.005 1 365 209 78 LEU CB C 41.053 0.000 1 366 209 78 LEU N N 116.284 0.022 1 367 210 79 LYS H H 7.700 0.002 1 368 210 79 LYS C C 178.215 0.000 1 369 210 79 LYS CA C 56.807 0.002 1 370 210 79 LYS CB C 32.511 0.012 1 371 210 79 LYS N N 116.421 0.018 1 372 211 80 GLY H H 7.859 0.004 1 373 211 80 GLY C C 174.005 0.000 1 374 211 80 GLY CA C 45.864 0.000 1 375 211 80 GLY N N 106.138 0.028 1 376 212 81 SER H H 7.363 0.009 1 377 212 81 SER C C 173.671 0.000 1 378 212 81 SER CA C 57.167 0.000 1 379 212 81 SER CB C 64.620 0.000 1 380 212 81 SER N N 113.224 0.063 1 381 213 82 LYS C C 175.492 0.000 1 382 213 82 LYS CA C 57.538 0.000 1 383 213 82 LYS CB C 32.059 0.000 1 384 214 83 LYS H H 7.866 0.005 1 385 214 83 LYS C C 174.799 0.014 1 386 214 83 LYS CA C 55.401 0.003 1 387 214 83 LYS CB C 32.660 0.012 1 388 214 83 LYS N N 119.099 0.067 1 389 215 84 LEU H H 8.729 0.003 1 390 215 84 LEU C C 174.687 0.023 1 391 215 84 LEU CA C 53.501 0.002 1 392 215 84 LEU CB C 44.076 0.011 1 393 215 84 LEU N N 126.128 0.026 1 394 216 85 VAL H H 8.511 0.003 1 395 216 85 VAL C C 176.218 0.004 1 396 216 85 VAL CA C 61.711 0.007 1 397 216 85 VAL CB C 31.019 0.001 1 398 216 85 VAL N N 123.592 0.042 1 399 217 86 LEU H H 9.648 0.003 1 400 217 86 LEU C C 176.082 0.001 1 401 217 86 LEU CA C 52.858 0.055 1 402 217 86 LEU CB C 42.568 0.041 1 403 217 86 LEU N N 129.969 0.033 1 404 218 87 SER H H 8.118 0.005 1 405 218 87 SER C C 174.311 0.008 1 406 218 87 SER CA C 57.139 0.007 1 407 218 87 SER CB C 63.020 0.019 1 408 218 87 SER N N 118.310 0.061 1 409 219 88 VAL H H 9.355 0.002 1 410 219 88 VAL C C 173.776 0.001 1 411 219 88 VAL CA C 59.208 0.005 1 412 219 88 VAL CB C 34.586 0.049 1 413 219 88 VAL N N 123.939 0.040 1 414 220 89 TYR H H 9.167 0.003 1 415 220 89 TYR C C 175.105 0.010 1 416 220 89 TYR CA C 55.547 0.004 1 417 220 89 TYR CB C 41.200 0.073 1 418 220 89 TYR N N 124.137 0.019 1 419 221 90 SER H H 8.403 0.002 1 420 221 90 SER C C 172.947 0.033 1 421 221 90 SER CA C 56.731 0.001 1 422 221 90 SER CB C 63.809 0.001 1 423 221 90 SER N N 124.732 0.039 1 424 222 91 ALA H H 8.216 0.006 1 425 222 91 ALA C C 178.175 0.017 1 426 222 91 ALA CA C 52.374 0.008 1 427 222 91 ALA CB C 18.768 0.010 1 428 222 91 ALA N N 127.319 0.044 1 429 223 92 GLY H H 8.258 0.003 1 430 223 92 GLY C C 173.704 0.012 1 431 223 92 GLY CA C 44.823 0.020 1 432 223 92 GLY N N 107.404 0.045 1 433 224 93 ARG H H 8.034 0.003 1 434 224 93 ARG C C 175.868 0.018 1 435 224 93 ARG CA C 55.312 0.091 1 436 224 93 ARG CB C 30.117 0.004 1 437 224 93 ARG N N 120.456 0.058 1 438 225 94 ILE H H 8.156 0.005 1 439 225 94 ILE C C 174.611 0.000 1 440 225 94 ILE CA C 58.111 0.000 1 441 225 94 ILE CB C 37.785 0.000 1 442 225 94 ILE N N 123.311 0.061 1 443 226 95 PRO C C 177.395 0.000 1 444 226 95 PRO CA C 63.080 0.000 1 445 226 95 PRO CB C 31.129 0.000 1 446 227 96 GLY H H 8.384 0.006 1 447 227 96 GLY C C 174.633 0.031 1 448 227 96 GLY CA C 44.893 0.000 1 449 227 96 GLY N N 109.892 0.026 1 450 228 97 GLY H H 8.146 0.003 1 451 228 97 GLY C C 173.609 0.008 1 452 228 97 GLY CA C 44.822 0.017 1 453 228 97 GLY N N 108.511 0.039 1 454 229 98 TYR H H 7.986 0.003 1 455 229 98 TYR C C 175.768 0.028 1 456 229 98 TYR CA C 57.538 0.022 1 457 229 98 TYR CB C 38.376 0.017 1 458 229 98 TYR N N 120.204 0.055 1 459 230 99 VAL H H 8.054 0.004 1 460 230 99 VAL C C 176.000 0.004 1 461 230 99 VAL CA C 61.838 0.002 1 462 230 99 VAL CB C 32.152 0.059 1 463 230 99 VAL N N 122.021 0.023 1 464 231 100 THR H H 8.073 0.005 1 465 231 100 THR C C 174.097 0.000 1 466 231 100 THR CA C 61.380 0.026 1 467 231 100 THR CB C 69.082 0.000 1 468 231 100 THR N N 117.279 0.029 1 469 232 101 ASN H H 8.269 0.002 1 470 232 101 ASN C C 174.692 0.000 1 471 232 101 ASN CA C 52.929 0.000 1 472 232 101 ASN CB C 38.332 0.000 1 473 232 101 ASN N N 120.660 0.059 1 474 233 102 HIS CA C 55.391 0.000 1 475 233 102 HIS CB C 29.068 0.000 1 476 234 103 ILE H H 7.905 0.004 1 477 234 103 ILE C C 175.618 0.000 1 478 234 103 ILE CA C 60.598 0.033 1 479 234 103 ILE CB C 37.716 0.000 1 480 234 103 ILE N N 122.042 0.016 1 481 235 104 TYR H H 8.255 0.012 1 482 235 104 TYR C C 175.186 0.002 1 483 235 104 TYR CA C 57.360 0.005 1 484 235 104 TYR CB C 38.277 0.012 1 485 235 104 TYR N N 124.544 0.055 1 486 236 105 THR H H 7.668 0.005 1 487 236 105 THR C C 178.974 0.000 1 488 236 105 THR CA C 62.657 0.000 1 489 236 105 THR CB C 70.194 0.000 1 490 236 105 THR N N 120.511 0.033 1 491 238 107 VAL C C 174.517 0.000 1 492 238 107 VAL CA C 60.836 0.000 1 493 239 108 ASP H H 8.147 0.003 1 494 239 108 ASP C C 175.508 0.000 1 495 239 108 ASP CA C 51.620 0.000 1 496 239 108 ASP CB C 40.913 0.000 1 497 239 108 ASP N N 125.415 0.057 1 498 240 109 PRO C C 177.532 0.000 1 499 240 109 PRO CA C 63.549 0.000 1 500 240 109 PRO CB C 31.509 0.000 1 501 241 110 GLN H H 8.336 0.003 1 502 241 110 GLN C C 176.725 0.005 1 503 241 110 GLN CA C 55.629 0.014 1 504 241 110 GLN CB C 28.322 0.092 1 505 241 110 GLN N N 117.674 0.050 1 506 242 111 GLY H H 8.099 0.003 1 507 242 111 GLY C C 174.206 0.005 1 508 242 111 GLY CA C 45.238 0.058 1 509 242 111 GLY N N 108.888 0.040 1 510 243 112 ARG H H 8.080 0.008 1 511 243 112 ARG C C 176.464 0.037 1 512 243 112 ARG CA C 55.528 0.002 1 513 243 112 ARG CB C 29.987 0.065 1 514 243 112 ARG N N 120.405 0.083 1 515 244 113 SER H H 8.448 0.002 1 516 244 113 SER C C 174.743 0.060 1 517 244 113 SER CA C 58.030 0.000 1 518 244 113 SER CB C 63.654 0.060 1 519 244 113 SER N N 117.231 0.032 1 520 245 114 THR H H 8.148 0.004 1 521 245 114 THR C C 173.631 0.002 1 522 245 114 THR CA C 61.255 0.009 1 523 245 114 THR CB C 69.491 0.013 1 524 245 114 THR N N 115.582 0.077 1 525 246 115 SER H H 8.110 0.002 1 526 246 115 SER C C 172.613 0.000 1 527 246 115 SER CA C 54.788 0.000 1 528 246 115 SER CB C 64.317 0.000 1 529 246 115 SER N N 117.503 0.053 1 530 248 117 PRO C C 176.996 0.000 1 531 248 117 PRO CA C 62.583 0.000 1 532 248 117 PRO CB C 31.194 0.000 1 533 249 118 SER H H 8.309 0.005 1 534 249 118 SER C C 174.591 0.002 1 535 249 118 SER CA C 57.995 0.001 1 536 249 118 SER CB C 63.611 0.007 1 537 249 118 SER N N 115.654 0.026 1 538 250 119 SER H H 8.229 0.003 1 539 250 119 SER C C 173.904 0.002 1 540 250 119 SER CA C 57.752 0.007 1 541 250 119 SER CB C 63.762 0.006 1 542 250 119 SER N N 117.651 0.045 1 543 251 120 LEU H H 8.096 0.004 1 544 251 120 LEU C C 175.169 0.000 1 545 251 120 LEU CA C 52.704 0.000 1 546 251 120 LEU CB C 40.795 0.000 1 547 251 120 LEU N N 124.989 0.044 1 548 255 124 HIS C C 175.323 0.000 1 549 256 125 GLY H H 8.375 0.008 1 550 256 125 GLY C C 174.037 0.000 1 551 256 125 GLY CA C 44.927 0.000 1 552 256 125 GLY N N 110.447 0.027 1 553 257 126 SER C C 175.038 0.000 1 554 257 126 SER CA C 58.398 0.000 1 555 257 126 SER CB C 63.574 0.000 1 556 258 127 THR H H 8.212 0.004 1 557 258 127 THR C C 174.620 0.000 1 558 258 127 THR CA C 61.668 0.000 1 559 258 127 THR CB C 69.131 0.005 1 560 258 127 THR N N 116.160 0.014 1 561 259 128 LEU H H 8.154 0.006 1 562 259 128 LEU C C 177.418 0.009 1 563 259 128 LEU CA C 55.320 0.064 1 564 259 128 LEU CB C 41.177 0.002 1 565 259 128 LEU N N 124.274 0.073 1 566 260 129 ARG H H 8.235 0.003 1 567 260 129 ARG C C 176.392 0.004 1 568 260 129 ARG CA C 55.798 0.000 1 569 260 129 ARG CB C 29.718 0.022 1 570 260 129 ARG N N 121.743 0.018 1 571 261 130 GLN H H 8.310 0.004 1 572 261 130 GLN C C 176.209 0.009 1 573 261 130 GLN CA C 55.742 0.020 1 574 261 130 GLN CB C 28.718 0.015 1 575 261 130 GLN N N 121.567 0.061 1 576 262 131 ARG H H 8.375 0.002 1 577 262 131 ARG C C 176.869 0.005 1 578 262 131 ARG CA C 56.177 0.017 1 579 262 131 ARG CB C 29.966 0.003 1 580 262 131 ARG N N 122.067 0.050 1 581 263 132 GLU H H 8.509 0.002 1 582 263 132 GLU C C 176.650 0.001 1 583 263 132 GLU CA C 56.619 0.001 1 584 263 132 GLU CB C 29.231 0.001 1 585 263 132 GLU N N 122.035 0.042 1 586 264 133 ASP H H 8.331 0.004 1 587 264 133 ASP C C 176.502 0.002 1 588 264 133 ASP CA C 54.392 0.001 1 589 264 133 ASP CB C 40.446 0.015 1 590 264 133 ASP N N 120.750 0.029 1 591 265 134 ASP H H 8.186 0.004 1 592 265 134 ASP C C 176.960 0.002 1 593 265 134 ASP CA C 54.459 0.000 1 594 265 134 ASP CB C 40.418 0.002 1 595 265 134 ASP N N 121.182 0.051 1 596 266 135 ARG H H 8.218 0.004 1 597 266 135 ARG C C 177.090 0.000 1 598 266 135 ARG CA C 56.477 0.000 1 599 266 135 ARG CB C 29.298 0.000 1 600 266 135 ARG N N 121.119 0.027 1 601 267 136 ARG C C 177.067 0.000 1 602 267 136 ARG CA C 56.503 0.000 1 603 267 136 ARG CB C 29.550 0.000 1 604 268 137 SER H H 8.213 0.004 1 605 268 137 SER C C 175.284 0.019 1 606 268 137 SER CA C 58.552 0.013 1 607 268 137 SER CB C 63.481 0.026 1 608 268 137 SER N N 115.945 0.047 1 609 269 138 THR H H 8.087 0.004 1 610 269 138 THR C C 174.702 0.012 1 611 269 138 THR CA C 61.985 0.004 1 612 269 138 THR CB C 68.874 0.013 1 613 269 138 THR N N 115.673 0.076 1 614 270 139 LEU H H 7.963 0.003 1 615 270 139 LEU C C 177.199 0.000 1 616 270 139 LEU CA C 55.371 0.004 1 617 270 139 LEU CB C 41.276 0.005 1 618 270 139 LEU N N 123.410 0.026 1 619 271 140 HIS H H 8.287 0.003 1 620 271 140 HIS C C 174.537 0.000 1 621 271 140 HIS CA C 55.413 0.006 1 622 271 140 HIS CB C 28.860 0.002 1 623 271 140 HIS N N 118.940 0.004 1 624 272 141 LEU H H 8.052 0.006 1 625 272 141 LEU C C 177.228 0.002 1 626 272 141 LEU CA C 55.069 0.000 1 627 272 141 LEU CB C 41.342 0.023 1 628 272 141 LEU N N 122.702 0.058 1 629 273 142 LEU H H 8.171 0.008 1 630 273 142 LEU C C 177.304 0.000 1 631 273 142 LEU CA C 54.870 0.005 1 632 273 142 LEU CB C 41.331 0.001 1 633 273 142 LEU N N 122.403 0.060 1 634 274 143 GLN H H 8.322 0.006 1 635 274 143 GLN C C 175.891 0.009 1 636 274 143 GLN CA C 55.332 0.091 1 637 274 143 GLN CB C 28.777 0.020 1 638 274 143 GLN N N 121.079 0.026 1 639 275 144 SER H H 8.361 0.003 1 640 275 144 SER C C 175.075 0.010 1 641 275 144 SER CA C 58.196 0.020 1 642 275 144 SER CB C 63.785 0.013 1 643 275 144 SER N N 117.163 0.034 1 644 276 145 GLY H H 8.502 0.003 1 645 276 145 GLY C C 173.802 0.002 1 646 276 145 GLY CA C 45.186 0.005 1 647 276 145 GLY N N 111.295 0.035 1 648 277 146 ASP H H 8.308 0.005 1 649 277 146 ASP C C 175.524 0.007 1 650 277 146 ASP CA C 54.017 0.002 1 651 277 146 ASP CB C 40.752 0.010 1 652 277 146 ASP N N 120.207 0.028 1 653 278 147 GLU H H 8.091 0.005 1 654 278 147 GLU C C 175.679 0.001 1 655 278 147 GLU CA C 55.139 0.001 1 656 278 147 GLU CB C 30.568 0.002 1 657 278 147 GLU N N 119.697 0.011 1 658 279 148 LYS H H 8.894 0.005 1 659 279 148 LYS C C 173.990 0.000 1 660 279 148 LYS CA C 54.818 0.027 1 661 279 148 LYS CB C 34.221 0.023 1 662 279 148 LYS N N 122.504 0.029 1 663 280 149 LYS H H 8.463 0.003 1 664 280 149 LYS C C 176.503 0.000 1 665 280 149 LYS CA C 54.427 0.057 1 666 280 149 LYS CB C 33.003 0.013 1 667 280 149 LYS N N 123.485 0.042 1 668 281 150 VAL H H 9.198 0.004 1 669 281 150 VAL C C 173.306 0.024 1 670 281 150 VAL CA C 60.438 0.002 1 671 281 150 VAL CB C 34.368 0.037 1 672 281 150 VAL N N 123.969 0.046 1 673 282 151 ASN H H 8.741 0.003 1 674 282 151 ASN C C 173.572 0.001 1 675 282 151 ASN CA C 51.992 0.002 1 676 282 151 ASN CB C 39.725 0.015 1 677 282 151 ASN N N 125.619 0.069 1 678 283 152 LEU H H 9.240 0.003 1 679 283 152 LEU C C 174.675 0.005 1 680 283 152 LEU CA C 53.966 0.092 1 681 283 152 LEU CB C 43.356 0.032 1 682 283 152 LEU N N 126.238 0.038 1 683 284 153 VAL H H 8.675 0.002 1 684 284 153 VAL C C 175.356 0.006 1 685 284 153 VAL CA C 61.032 0.022 1 686 284 153 VAL CB C 32.105 0.016 1 687 284 153 VAL N N 125.792 0.074 1 688 285 154 LEU H H 8.618 0.005 1 689 285 154 LEU C C 177.082 0.005 1 690 285 154 LEU CA C 53.344 0.013 1 691 285 154 LEU CB C 40.828 0.025 1 692 285 154 LEU N N 126.676 0.026 1 693 286 155 GLY H H 8.346 0.004 1 694 286 155 GLY C C 173.593 0.002 1 695 286 155 GLY CA C 43.834 0.011 1 696 286 155 GLY N N 110.279 0.031 1 697 287 156 ASP H H 8.543 0.003 1 698 287 156 ASP C C 177.534 0.000 1 699 287 156 ASP CA C 55.529 0.006 1 700 287 156 ASP CB C 39.840 0.002 1 701 287 156 ASP N N 120.663 0.059 1 702 288 157 GLY H H 8.780 0.005 1 703 288 157 GLY C C 174.329 0.005 1 704 288 157 GLY CA C 45.230 0.015 1 705 288 157 GLY N N 111.081 0.031 1 706 289 158 ARG H H 7.653 0.003 1 707 289 158 ARG C C 176.046 0.005 1 708 289 158 ARG CA C 54.342 0.007 1 709 289 158 ARG CB C 30.353 0.001 1 710 289 158 ARG N N 119.630 0.036 1 711 290 159 SER H H 8.745 0.005 1 712 290 159 SER C C 174.291 0.000 1 713 290 159 SER CA C 56.547 0.000 1 714 290 159 SER CB C 64.781 0.000 1 715 290 159 SER N N 116.965 0.056 1 716 291 160 LEU H H 8.978 0.004 1 717 291 160 LEU C C 177.303 0.000 1 718 291 160 LEU CA C 58.191 0.053 1 719 291 160 LEU CB C 40.219 0.017 1 720 291 160 LEU N N 125.578 0.007 1 721 292 161 GLY H H 8.169 0.004 1 722 292 161 GLY C C 174.234 0.000 1 723 292 161 GLY CA C 45.774 0.000 1 724 292 161 GLY N N 101.231 0.026 1 725 293 162 LEU H H 7.024 0.003 1 726 293 162 LEU C C 176.385 0.000 1 727 293 162 LEU CA C 53.049 0.000 1 728 293 162 LEU CB C 45.329 0.000 1 729 293 162 LEU N N 115.980 0.041 1 730 294 163 THR C C 174.570 0.000 1 731 294 163 THR CA C 61.241 0.000 1 732 294 163 THR CB C 69.788 0.000 1 733 295 164 ILE H H 8.768 0.003 1 734 295 164 ILE C C 175.032 0.022 1 735 295 164 ILE CA C 58.219 0.000 1 736 295 164 ILE CB C 42.172 0.000 1 737 295 164 ILE N N 117.941 0.035 1 738 296 165 ARG H H 9.310 0.015 1 739 296 165 ARG C C 174.329 0.000 1 740 296 165 ARG CA C 53.695 0.000 1 741 296 165 ARG CB C 33.979 0.000 1 742 296 165 ARG N N 119.376 0.012 1 743 297 166 GLY C C 174.472 0.000 1 744 298 167 GLY H H 7.150 0.007 1 745 298 167 GLY C C 176.484 0.000 1 746 298 167 GLY CA C 43.522 0.014 1 747 298 167 GLY N N 107.247 0.022 1 748 299 168 ALA H H 8.937 0.004 1 749 299 168 ALA C C 180.792 0.000 1 750 299 168 ALA CA C 54.547 0.000 1 751 299 168 ALA CB C 17.834 0.000 1 752 299 168 ALA N N 125.553 0.020 1 753 300 169 GLU H H 11.158 0.002 1 754 300 169 GLU CA C 58.564 0.000 1 755 300 169 GLU N N 121.628 0.005 1 756 301 170 TYR C C 176.187 0.000 1 757 302 171 GLY H H 8.007 0.003 1 758 302 171 GLY C C 174.061 0.000 1 759 302 171 GLY CA C 45.654 0.035 1 760 302 171 GLY N N 108.482 0.049 1 761 303 172 LEU H H 7.496 0.005 1 762 303 172 LEU C C 178.529 0.046 1 763 303 172 LEU CA C 53.342 0.014 1 764 303 172 LEU CB C 48.070 0.022 1 765 303 172 LEU N N 118.607 0.032 1 766 304 173 GLY H H 8.407 0.006 1 767 304 173 GLY C C 169.739 0.006 1 768 304 173 GLY CA C 43.787 0.002 1 769 304 173 GLY N N 106.651 0.062 1 770 305 174 ILE H H 8.578 0.009 1 771 305 174 ILE C C 174.700 0.000 1 772 305 174 ILE CA C 56.555 0.000 1 773 305 174 ILE CB C 35.601 0.000 1 774 305 174 ILE N N 117.707 0.018 1 775 306 175 TYR C C 175.785 0.000 1 776 306 175 TYR CA C 55.439 0.000 1 777 307 176 ILE H H 9.063 0.007 1 778 307 176 ILE C C 177.728 0.000 1 779 307 176 ILE CA C 62.398 0.000 1 780 307 176 ILE CB C 37.090 0.000 1 781 307 176 ILE N N 121.676 0.038 1 782 308 177 THR C C 174.190 0.000 1 783 309 178 GLY H H 7.506 0.013 1 784 309 178 GLY C C 170.697 0.002 1 785 309 178 GLY CA C 45.770 0.006 1 786 309 178 GLY N N 112.176 0.069 1 787 310 179 VAL H H 8.187 0.006 1 788 310 179 VAL C C 175.639 0.000 1 789 310 179 VAL CA C 60.663 0.061 1 790 310 179 VAL CB C 33.623 0.016 1 791 310 179 VAL N N 123.383 0.018 1 792 311 180 ASP H H 9.048 0.005 1 793 311 180 ASP C C 174.985 0.000 1 794 311 180 ASP CA C 52.931 0.000 1 795 311 180 ASP CB C 39.034 0.000 1 796 311 180 ASP N N 128.610 0.050 1 797 312 181 PRO C C 178.434 0.000 1 798 312 181 PRO CA C 62.967 0.000 1 799 312 181 PRO CB C 30.981 0.000 1 800 313 182 GLY H H 9.407 0.013 1 801 313 182 GLY C C 174.118 0.012 1 802 313 182 GLY CA C 45.242 0.004 1 803 313 182 GLY N N 113.826 0.075 1 804 314 183 SER H H 7.522 0.003 1 805 314 183 SER C C 175.463 0.004 1 806 314 183 SER CA C 57.682 0.018 1 807 314 183 SER CB C 66.282 0.013 1 808 314 183 SER N N 114.244 0.039 1 809 315 184 GLU H H 9.283 0.008 1 810 315 184 GLU C C 179.718 0.000 1 811 315 184 GLU CA C 58.018 0.061 1 812 315 184 GLU CB C 28.492 0.029 1 813 315 184 GLU N N 121.196 0.075 1 814 316 185 ALA H H 8.514 0.004 1 815 316 185 ALA C C 178.594 0.000 1 816 316 185 ALA CA C 55.195 0.010 1 817 316 185 ALA CB C 18.535 0.077 1 818 316 185 ALA N N 120.274 0.001 1 819 317 186 GLU H H 7.689 0.003 1 820 317 186 GLU C C 180.612 0.003 1 821 317 186 GLU CA C 59.044 0.007 1 822 317 186 GLU CB C 29.198 0.017 1 823 317 186 GLU N N 119.284 0.062 1 824 318 187 SER H H 8.377 0.003 1 825 318 187 SER C C 176.079 0.000 1 826 318 187 SER CA C 60.838 0.014 1 827 318 187 SER CB C 62.511 0.043 1 828 318 187 SER N N 116.603 0.059 1 829 319 188 SER H H 7.917 0.004 1 830 319 188 SER C C 174.319 0.005 1 831 319 188 SER CA C 59.698 0.065 1 832 319 188 SER CB C 63.753 0.013 1 833 319 188 SER N N 114.805 0.072 1 834 320 189 GLY H H 7.627 0.004 1 835 320 189 GLY C C 175.182 0.000 1 836 320 189 GLY CA C 45.149 0.050 1 837 320 189 GLY N N 106.922 0.029 1 838 321 190 LEU H H 7.477 0.001 1 839 321 190 LEU CA C 54.968 0.006 1 840 321 190 LEU CB C 40.624 0.046 1 841 321 190 LEU N N 120.327 0.024 1 842 322 191 LYS H H 8.509 0.001 1 843 322 191 LYS CA C 53.814 0.003 1 844 322 191 LYS CB C 35.209 0.038 1 845 322 191 LYS N N 119.606 0.012 1 846 323 192 VAL H H 8.195 0.004 1 847 323 192 VAL C C 176.726 0.000 1 848 323 192 VAL CA C 64.816 0.017 1 849 323 192 VAL CB C 30.526 0.088 1 850 323 192 VAL N N 119.562 0.013 1 851 324 193 GLY H H 8.918 0.008 1 852 324 193 GLY C C 174.417 0.013 1 853 324 193 GLY CA C 43.998 0.003 1 854 324 193 GLY N N 116.341 0.035 1 855 325 194 ASP H H 7.876 0.004 1 856 325 194 ASP C C 175.336 0.000 1 857 325 194 ASP CA C 55.165 0.018 1 858 325 194 ASP CB C 40.700 0.000 1 859 325 194 ASP N N 121.069 0.032 1 860 326 195 GLN H H 8.653 0.002 1 861 326 195 GLN CA C 53.229 0.000 1 862 326 195 GLN CB C 29.833 0.000 1 863 326 195 GLN N N 121.199 0.022 1 864 327 196 ILE C C 174.748 0.000 1 865 327 196 ILE CA C 61.555 0.000 1 866 327 196 ILE CB C 37.258 0.000 1 867 328 197 LEU H H 9.178 0.004 1 868 328 197 LEU C C 178.435 0.003 1 869 328 197 LEU CA C 55.697 0.000 1 870 328 197 LEU CB C 41.132 0.006 1 871 328 197 LEU N N 127.647 0.054 1 872 329 198 GLU H H 7.504 0.004 1 873 329 198 GLU C C 173.594 0.003 1 874 329 198 GLU CA C 55.264 0.018 1 875 329 198 GLU CB C 32.760 0.067 1 876 329 198 GLU N N 120.050 0.050 1 877 330 199 VAL H H 8.058 0.002 1 878 330 199 VAL C C 175.630 0.012 1 879 330 199 VAL CA C 60.618 0.011 1 880 330 199 VAL CB C 33.987 0.011 1 881 330 199 VAL N N 121.733 0.060 1 882 331 200 ASN H H 9.249 0.003 1 883 331 200 ASN C C 175.195 0.000 1 884 331 200 ASN CA C 53.806 0.076 1 885 331 200 ASN CB C 35.630 0.022 1 886 331 200 ASN N N 126.413 0.071 1 887 332 201 GLY H H 8.449 0.003 1 888 332 201 GLY C C 173.306 0.000 1 889 332 201 GLY CA C 45.032 0.002 1 890 332 201 GLY N N 103.431 0.016 1 891 333 202 ARG H H 8.122 0.004 1 892 333 202 ARG C C 175.344 0.003 1 893 333 202 ARG CA C 53.049 0.001 1 894 333 202 ARG CB C 29.877 0.006 1 895 333 202 ARG N N 122.545 0.030 1 896 334 203 SER H H 8.974 0.003 1 897 334 203 SER C C 176.556 0.008 1 898 334 203 SER CA C 58.714 0.000 1 899 334 203 SER CB C 63.324 0.000 1 900 334 203 SER N N 120.214 0.046 1 901 335 204 PHE H H 8.938 0.003 1 902 335 204 PHE C C 176.829 0.008 1 903 335 204 PHE CA C 54.917 0.016 1 904 335 204 PHE CB C 37.357 0.088 1 905 335 204 PHE N N 129.438 0.048 1 906 336 205 LEU H H 8.323 0.002 1 907 336 205 LEU C C 177.068 0.012 1 908 336 205 LEU CA C 57.480 0.000 1 909 336 205 LEU CB C 40.121 0.011 1 910 336 205 LEU N N 123.267 0.036 1 911 337 206 ASN H H 8.209 0.003 1 912 337 206 ASN C C 172.658 0.010 1 913 337 206 ASN CA C 52.266 0.021 1 914 337 206 ASN CB C 38.196 0.042 1 915 337 206 ASN N N 118.495 0.029 1 916 338 207 ILE H H 8.488 0.004 1 917 338 207 ILE C C 173.895 0.001 1 918 338 207 ILE CA C 58.768 0.023 1 919 338 207 ILE CB C 41.296 0.015 1 920 338 207 ILE N N 123.353 0.030 1 921 339 208 LEU H H 8.530 0.004 1 922 339 208 LEU C C 178.785 0.000 1 923 339 208 LEU CA C 55.257 0.029 1 924 339 208 LEU CB C 40.901 0.000 1 925 339 208 LEU N N 129.791 0.024 1 926 340 209 HIS H H 10.735 0.009 1 927 340 209 HIS CA C 61.531 0.000 1 928 340 209 HIS N N 125.175 0.031 1 929 341 210 ASP H H 10.005 0.000 1 930 341 210 ASP C C 179.293 0.000 1 931 341 210 ASP CA C 56.765 0.000 1 932 341 210 ASP CB C 39.538 0.000 1 933 341 210 ASP N N 115.034 0.000 1 934 342 211 GLU H H 6.994 0.004 1 935 342 211 GLU C C 178.156 0.000 1 936 342 211 GLU CA C 58.052 0.012 1 937 342 211 GLU CB C 28.204 0.013 1 938 342 211 GLU N N 119.867 0.021 1 939 343 212 ALA H H 7.630 0.007 1 940 343 212 ALA C C 178.844 0.000 1 941 343 212 ALA CA C 54.419 0.009 1 942 343 212 ALA CB C 17.416 0.000 1 943 343 212 ALA N N 122.794 0.058 1 944 344 213 VAL H H 7.667 0.004 1 945 344 213 VAL C C 178.007 0.000 1 946 344 213 VAL CA C 66.420 0.019 1 947 344 213 VAL CB C 31.274 0.093 1 948 344 213 VAL N N 116.045 0.016 1 949 345 214 LYS H H 7.620 0.003 1 950 345 214 LYS C C 180.208 0.000 1 951 345 214 LYS CA C 59.345 0.000 1 952 345 214 LYS CB C 31.663 0.000 1 953 345 214 LYS N N 117.537 0.076 1 954 346 215 LEU H H 8.100 0.010 1 955 346 215 LEU C C 180.895 0.019 1 956 346 215 LEU CA C 57.742 0.013 1 957 346 215 LEU CB C 41.105 0.009 1 958 346 215 LEU N N 120.882 0.066 1 959 347 216 LEU H H 7.981 0.009 1 960 347 216 LEU C C 176.788 0.000 1 961 347 216 LEU CA C 57.142 0.000 1 962 347 216 LEU CB C 40.812 0.000 1 963 347 216 LEU N N 118.959 0.004 1 964 348 217 LYS H H 7.577 0.000 1 965 348 217 LYS C C 178.208 0.000 1 966 348 217 LYS CA C 56.706 0.038 1 967 348 217 LYS CB C 32.575 0.026 1 968 348 217 LYS N N 113.720 0.040 1 969 349 218 SER H H 7.524 0.005 1 970 349 218 SER C C 173.782 0.000 1 971 349 218 SER CA C 60.100 0.033 1 972 349 218 SER CB C 64.278 0.032 1 973 349 218 SER N N 112.627 0.007 1 974 350 219 SER H H 7.017 0.010 1 975 350 219 SER C C 173.269 0.023 1 976 350 219 SER CA C 56.847 0.001 1 977 350 219 SER CB C 64.610 0.003 1 978 350 219 SER N N 113.862 0.041 1 979 351 220 ARG H H 8.604 0.003 1 980 351 220 ARG C C 174.675 0.010 1 981 351 220 ARG CA C 55.757 0.016 1 982 351 220 ARG CB C 28.998 0.004 1 983 351 220 ARG N N 122.179 0.030 1 984 352 221 HIS H H 8.113 0.008 1 985 352 221 HIS C C 173.246 0.000 1 986 352 221 HIS CA C 53.344 0.000 1 987 352 221 HIS CB C 29.753 0.026 1 988 352 221 HIS N N 118.260 0.033 1 989 353 222 LEU H H 9.050 0.002 1 990 353 222 LEU C C 173.952 0.000 1 991 353 222 LEU CA C 53.378 0.005 1 992 353 222 LEU CB C 44.974 0.017 1 993 353 222 LEU N N 126.849 0.007 1 994 354 223 ILE H H 8.734 0.006 1 995 354 223 ILE C C 176.453 0.001 1 996 354 223 ILE CA C 60.067 0.007 1 997 354 223 ILE CB C 37.222 0.007 1 998 354 223 ILE N N 123.464 0.034 1 999 355 224 LEU H H 9.184 0.002 1 1000 355 224 LEU C C 175.733 0.003 1 1001 355 224 LEU CA C 53.959 0.005 1 1002 355 224 LEU CB C 44.033 0.009 1 1003 355 224 LEU N N 128.536 0.018 1 1004 356 225 THR H H 8.459 0.002 1 1005 356 225 THR C C 174.591 0.020 1 1006 356 225 THR CA C 61.549 0.043 1 1007 356 225 THR CB C 68.231 0.047 1 1008 356 225 THR N N 118.832 0.043 1 1009 357 226 VAL H H 9.324 0.006 1 1010 357 226 VAL C C 173.634 0.017 1 1011 357 226 VAL CA C 58.702 0.000 1 1012 357 226 VAL CB C 35.126 0.000 1 1013 357 226 VAL N N 123.429 0.050 1 1014 358 227 LYS H H 9.009 0.007 1 1015 358 227 LYS C C 175.138 0.003 1 1016 358 227 LYS CA C 54.411 0.009 1 1017 358 227 LYS CB C 35.120 0.004 1 1018 358 227 LYS N N 123.368 0.052 1 1019 359 228 ASP H H 8.705 0.003 1 1020 359 228 ASP C C 176.394 0.006 1 1021 359 228 ASP CA C 53.391 0.008 1 1022 359 228 ASP CB C 41.692 0.070 1 1023 359 228 ASP N N 127.434 0.014 1 1024 360 229 VAL H H 8.605 0.008 1 1025 360 229 VAL C C 176.748 0.018 1 1026 360 229 VAL CA C 62.264 0.005 1 1027 360 229 VAL CB C 31.491 0.038 1 1028 360 229 VAL N N 122.966 0.016 1 1029 361 230 GLY H H 8.538 0.003 1 1030 361 230 GLY C C 174.195 0.000 1 1031 361 230 GLY CA C 45.345 0.000 1 1032 361 230 GLY N N 110.962 0.047 1 1033 365 234 HIS C C 174.408 0.000 1 1034 366 235 ALA H H 8.206 0.004 1 1035 366 235 ALA C C 177.565 0.000 1 1036 366 235 ALA CA C 52.071 0.012 1 1037 366 235 ALA CB C 18.801 0.023 1 1038 366 235 ALA N N 125.085 0.009 1 1039 367 236 ARG H H 8.403 0.004 1 1040 367 236 ARG C C 176.529 0.000 1 1041 367 236 ARG CA C 55.775 0.006 1 1042 367 236 ARG CB C 29.924 0.010 1 1043 367 236 ARG N N 120.593 0.033 1 1044 368 237 THR H H 8.170 0.004 1 1045 368 237 THR C C 174.653 0.000 1 1046 368 237 THR CA C 61.255 0.001 1 1047 368 237 THR CB C 69.345 0.002 1 1048 368 237 THR N N 115.037 0.016 1 1049 369 238 THR H H 8.118 0.009 1 1050 369 238 THR C C 174.762 0.002 1 1051 369 238 THR CA C 61.556 0.009 1 1052 369 238 THR CB C 69.226 0.019 1 1053 369 238 THR N N 116.137 0.067 1 1054 370 239 VAL H H 8.097 0.003 1 1055 370 239 VAL C C 175.881 0.000 1 1056 370 239 VAL CA C 62.123 0.020 1 1057 370 239 VAL CB C 31.959 0.002 1 1058 370 239 VAL N N 121.780 0.044 1 1059 371 240 ASP H H 8.273 0.006 1 1060 371 240 ASP C C 176.599 0.000 1 1061 371 240 ASP CA C 54.124 0.000 1 1062 371 240 ASP CB C 40.415 0.000 1 1063 371 240 ASP N N 123.305 0.040 1 1064 372 241 GLN C C 176.668 0.000 1 1065 372 241 GLN CA C 56.026 0.000 1 1066 372 241 GLN CB C 28.198 0.000 1 1067 373 242 THR H H 8.188 0.004 1 1068 373 242 THR C C 174.985 0.000 1 1069 373 242 THR CA C 62.648 0.013 1 1070 373 242 THR CB C 68.863 0.005 1 1071 373 242 THR N N 113.888 0.035 1 1072 374 243 LYS H H 7.898 0.008 1 1073 374 243 LYS C C 176.268 0.000 1 1074 374 243 LYS CA C 56.117 0.000 1 1075 374 243 LYS CB C 31.952 0.000 1 1076 374 243 LYS N N 122.433 0.063 1 1077 381 250 ILE C C 176.510 0.000 1 1078 382 251 GLY H H 8.404 0.011 1 1079 382 251 GLY C C 173.801 0.000 1 1080 382 251 GLY N N 113.392 0.013 1 stop_ save_ save_heteronuclear_T1_list_1 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T1_coherence_type Sz _T1_value_units ms _Mol_system_component_name 'Whirlin PDZ1-PDZ2' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 3 MET N 943.88227 50.31899 2 4 GLY N 729.16411 41.29187 3 6 GLY N 626.33801 51.40254 4 7 GLU N 728.65191 22.08902 5 8 VAL N 792.68453 23.39770 6 9 ARG N 845.93776 28.21235 7 10 LEU N 764.07848 17.11675 8 11 VAL N 924.17656 28.21848 9 12 SER N 892.21778 17.01036 10 13 LEU N 917.00758 31.29376 11 14 ARG N 819.17242 15.90056 12 15 ARG N 733.41399 15.90056 13 16 ALA N 781.78407 43.44825 14 17 LYS N 841.79937 53.59008 15 20 GLU N 753.12634 23.10167 16 21 GLY N 686.62558 34.90099 17 22 LEU N 769.57976 57.52199 18 23 GLY N 724.31889 41.48330 19 24 PHE N 936.02943 27.66493 20 25 SER N 935.24135 28.17738 21 26 ILE N 818.07304 28.48331 22 27 ARG N 825.39295 51.55281 23 28 GLY N 882.80936 32.83624 24 29 GLY N 934.39980 56.45198 25 30 SER N 798.65878 38.79211 26 31 GLU N 582.79284 49.24870 27 33 GLY N 893.84111 32.09165 28 34 VAL N 886.72261 49.76063 29 35 GLY N 922.66421 79.65018 30 36 ILE N 831.97281 25.40759 31 37 TYR N 920.22604 37.73237 32 38 VAL N 775.45543 34.81142 33 39 SER N 1061.67647 181.23701 34 40 LEU N 891.08767 20.80894 35 41 VAL N 887.98171 21.00959 36 42 GLU N 841.30576 34.23203 37 44 GLY N 962.84128 51.62183 38 45 SER N 914.57064 15.64613 39 46 LEU N 844.46503 28.98902 40 47 ALA N 971.05670 37.77603 41 48 GLU N 955.22726 32.89803 42 49 LYS N 861.37680 26.33451 43 50 GLU N 881.35647 24.42472 44 51 GLY N 896.79592 27.31985 45 52 LEU N 902.80809 26.03578 46 55 GLY N 871.62903 54.54407 47 56 ASP N 793.21661 30.84191 48 57 GLN N 858.56830 92.54604 49 58 ILE N 954.69601 13.02302 50 59 LEU N 838.64188 41.66621 51 60 ARG N 921.82377 31.02375 52 61 VAL N 881.17745 36.57288 53 62 ASN N 850.81610 32.60424 54 64 LYS N 860.34317 29.23999 55 65 SER N 765.34480 71.46137 56 66 LEU N 808.79488 35.52407 57 67 ALA N 792.61650 22.20165 58 68 ARG N 814.67938 69.01620 59 69 VAL N 971.82672 25.08343 60 70 THR N 933.32779 44.46814 61 71 HIS N 738.27444 34.30144 62 72 ALA N 850.58222 21.48029 63 73 GLU N 912.41800 19.13623 64 74 ALA N 861.72072 19.23953 65 75 VAL N 875.71747 26.06194 66 76 LYS N 891.14407 38.83535 67 77 ALA N 854.91926 16.78476 68 78 LEU N 916.49549 36.04205 69 79 LYS N 914.14901 12.47735 70 80 GLY N 696.73191 59.20732 71 81 SER N 1177.17472 124.93950 72 83 LYS N 827.66127 20.44980 73 84 LEU N 814.76230 31.46372 74 85 VAL N 912.68207 14.12121 75 86 LEU N 814.44410 17.66962 76 87 SER N 949.60033 43.48312 77 88 VAL N 891.25271 34.82058 78 89 TYR N 950.08295 47.11295 79 90 SER N 741.46189 42.75670 80 91 ALA N 684.58131 52.71283 81 92 GLY N 763.44191 27.58124 82 93 ARG N 758.96727 49.25805 83 96 GLY N 646.44996 68.03838 84 97 GLY N 678.22162 75.43143 85 98 TYR N 723.79201 41.23869 86 99 VAL N 688.07705 15.85495 87 101 ASN N 691.33019 33.32428 88 111 GLY N 655.13083 158.90582 89 112 ARG N 592.13947 29.87937 90 118 SER N 873.39327 144.71051 91 120 LEU N 706.47103 27.59169 92 128 LEU N 627.19228 40.52604 93 129 ARG N 686.36394 18.91278 94 130 GLN N 668.15648 29.68059 95 131 ARG N 711.64707 61.91607 96 132 GLU N 616.28448 37.38761 97 133 ASP N 625.54633 36.22730 98 134 ASP N 623.94683 21.64204 99 135 ARG N 622.74454 31.67900 100 137 SER N 700.14150 30.45312 101 138 THR N 585.78410 63.65828 102 139 LEU N 615.17914 19.80875 103 141 LEU N 815.44766 25.49088 104 144 SER N 722.40684 74.36586 105 145 GLY N 759.40535 77.73724 106 146 ASP N 595.83823 26.42231 107 147 GLU N 927.93153 46.20905 108 148 LYS N 910.89527 150.36627 109 149 LYS N 885.18694 87.99253 110 150 VAL N 983.68970 139.20748 111 151 ASN N 963.46441 27.83494 112 152 LEU N 1044.45231 34.87936 113 153 VAL N 1074.93345 48.13950 114 154 LEU N 920.94349 49.04162 115 156 ASP N 747.24947 35.85763 116 157 GLY N 877.71871 112.26880 117 158 ARG N 823.73497 15.36853 118 159 SER N 835.95455 48.52617 119 162 LEU N 990.87472 163.53162 120 164 ILE N 1089.77652 133.26144 121 171 GLY N 748.01536 72.60472 122 172 LEU N 1060.73594 176.79124 123 178 GLY N 685.63388 54.29398 124 179 VAL N 994.70701 55.79863 125 180 ASP N 1045.57126 147.79548 126 182 GLY N 965.36142 33.37608 127 183 SER N 974.11020 53.83787 128 184 GLU N 734.73796 93.85540 129 186 GLU N 1048.80972 38.73782 130 187 SER N 953.96179 25.27965 131 188 SER N 1059.32592 29.39248 132 189 GLY N 952.31764 28.04136 133 190 LEU N 980.36724 120.67645 134 191 LYS N 732.04437 125.65294 135 192 VAL N 1010.65033 59.79731 136 194 ASP N 731.30168 122.51564 137 197 LEU N 1048.54771 248.95096 138 198 GLU N 1061.96030 74.94546 139 199 VAL N 802.41412 52.83563 140 200 ASN N 1036.89567 58.10105 141 201 GLY N 942.74028 28.97331 142 202 ARG N 962.72075 17.15948 143 203 SER N 928.62782 109.24220 144 204 PHE N 887.52793 71.28925 145 205 LEU N 732.66926 67.05351 146 206 ASN N 923.32909 99.54903 147 207 ILE N 1142.87170 211.08269 148 208 LEU N 942.02547 328.84333 149 209 HIS N 1070.24380 177.50545 150 210 ASP N 1224.43564 193.31417 151 211 GLU N 846.01725 90.06241 152 212 ALA N 985.71173 46.09018 153 213 VAL N 960.40954 29.03905 154 214 LYS N 990.81003 51.80700 155 215 LEU N 907.20544 34.98114 156 216 LEU N 942.47694 45.56986 157 218 SER N 999.61907 32.11866 158 219 SER N 984.66531 59.13867 159 221 HIS N 907.43219 45.50931 160 222 LEU N 1006.41210 19.75756 161 223 ILE N 1002.15022 37.62257 162 224 LEU N 980.69429 51.03604 163 225 THR N 1039.12990 39.28240 164 226 VAL N 1026.86124 255.05476 165 227 LYS N 853.47370 638.83019 166 228 ASP N 585.95033 211.81833 167 229 VAL N 329.83270 119.77393 168 230 GLY N 897.16421 41.88894 169 235 ALA N 691.06095 78.97585 170 239 VAL N 913.40062 29.39630 171 242 THR N 661.98970 78.50093 172 243 LYS N 668.28680 26.92739 173 251 GLY N 902.89387 96.78144 stop_ save_ save_heteronuclear_T2_list_1 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T2_coherence_type S(+,-) _T2_value_units ms _Mol_system_component_name 'Whirlin PDZ1-PDZ2' _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 3 MET N 2.35471 51.96001 . . 2 4 GLY N 18.56281 170.04696 . . 3 5 SER N 9.85627 112.28498 . . 4 6 GLY N 10.75144 133.23898 . . 5 7 GLU N 1.46733 79.59142 . . 6 8 VAL N 1.32590 63.75025 . . 7 9 ARG N 2.00646 56.43329 . . 8 10 LEU N 1.20861 86.06725 . . 9 11 VAL N 1.91872 59.07121 . . 10 12 SER N 1.34698 59.01193 . . 11 13 LEU N 1.71606 61.83263 . . 12 14 ARG N 1.79854 70.26183 . . 13 15 ARG N 1.91033 68.92127 . . 14 16 ALA N 2.05756 63.05332 . . 15 17 LYS N 1.54160 60.05892 . . 16 20 GLU N 1.55736 67.92947 . . 17 21 GLY N 4.10137 74.00499 . . 18 22 LEU N 2.92162 48.95716 . . 19 23 GLY N 1.51088 54.72899 . . 20 24 PHE N 1.46472 52.44858 . . 21 25 SER N 1.86388 55.52405 . . 22 26 ILE N 2.73095 52.63578 . . 23 27 ARG N 1.46266 36.64047 . . 24 28 GLY N 3.60787 50.74718 . . 25 29 GLY N 3.58704 54.06047 . . 26 30 SER N 2.77887 43.05215 . . 27 31 GLU N 5.31685 49.94720 . . 28 33 GLY N 2.45490 50.03990 . . 29 34 VAL N 1.43901 43.65030 . . 30 35 GLY N 6.21039 51.33204 . . 31 36 ILE N 2.80515 46.93688 . . 32 37 TYR N 2.65332 47.86150 . . 33 38 VAL N 1.59382 50.32809 . . 34 39 SER N 4.89702 40.13637 . . 35 40 LEU N 2.46122 54.80897 . . 36 41 VAL N 1.79646 53.16706 . . 37 42 GLU N 1.79244 52.56227 . . 38 44 GLY N 2.70415 53.85946 . . 39 45 SER N 1.75892 56.71151 . . 40 46 LEU N 1.22844 52.70043 . . 41 47 ALA N 1.75606 53.45047 . . 42 48 GLU N 1.34843 57.10684 . . 43 49 LYS N 0.90954 53.12704 . . 44 50 GLU N 1.49486 61.53148 . . 45 51 GLY N 1.36572 58.40824 . . 46 52 LEU N 1.58181 54.05753 . . 47 53 ARG N 2.53764 52.14509 . . 48 54 VAL N 1.01364 56.61508 . . 49 55 GLY N 2.66706 45.62877 . . 50 57 GLN N 3.04024 48.91250 . . 51 58 ILE N 0.83122 52.96978 . . 52 59 LEU N 1.59057 54.37285 . . 53 60 ARG N 1.54425 43.15435 . . 54 61 VAL N 1.07165 36.51586 . . 55 62 ASN N 0.98634 44.27722 . . 56 64 LYS N 1.52937 58.01323 . . 57 65 SER N 2.45165 51.50499 . . 58 66 LEU N 3.00437 54.13499 . . 59 67 ALA N 1.46158 67.22438 . . 60 68 ARG N 4.45204 56.78685 . . 61 69 VAL N 2.38030 72.78251 . . 62 70 THR N 2.53371 54.45608 . . 63 71 HIS N 1.82675 44.61409 . . 64 72 ALA N 1.96518 49.58149 . . 65 73 GLU N 1.61637 53.81603 . . 66 74 ALA N 1.81495 52.74306 . . 67 75 VAL N 1.51824 51.49428 . . 68 76 LYS N 1.60951 55.45468 . . 69 77 ALA N 1.37651 50.87863 . . 70 78 LEU N 1.45901 58.70700 . . 71 79 LYS N 1.27015 53.94609 . . 72 80 GLY N 1.27376 62.24101 . . 73 81 SER N 5.92319 75.87440 . . 74 83 LYS N 1.99571 66.33356 . . 75 84 LEU N 1.95817 61.36837 . . 76 85 VAL N 1.32404 59.18136 . . 77 86 LEU N 1.95107 54.30849 . . 78 87 SER N 1.95206 48.47265 . . 79 88 VAL N 1.68404 46.68485 . . 80 89 TYR N 1.64686 48.74021 . . 81 90 SER N 2.08321 52.45253 . . 82 91 ALA N 3.18655 54.16766 . . 83 92 GLY N 2.41812 74.45626 . . 84 93 ARG N 3.42043 47.02966 . . 85 94 ILE N 15.68336 74.54252 . . 86 96 GLY N 6.72454 81.81793 . . 87 97 GLY N 8.00262 82.61192 . . 88 98 TYR N 4.27366 77.46389 . . 89 99 VAL N 1.90748 98.84863 . . 90 101 ASN N 2.31792 87.14683 . . 91 110 GLN N 13.45740 67.26459 . . 92 111 GLY N 26.27662 85.54323 . . 93 112 ARG N 7.51155 124.84110 . . 94 120 LEU N 4.95302 100.41832 . . 95 127 THR N 10.04766 91.29273 . . 96 128 LEU N 4.10559 121.36444 . . 97 129 ARG N 4.48164 127.30662 . . 98 130 GLN N 5.81543 125.48002 . . 99 131 ARG N 8.22770 120.94829 . . 100 132 GLU N 2.90828 119.30520 . . 101 133 ASP N 7.13934 110.59803 . . 102 134 ASP N 11.48213 155.16708 . . 103 135 ARG N 1.97549 122.00770 . . 104 137 SER N 5.81040 97.94366 . . 105 138 THR N 10.25764 92.90442 . . 106 139 LEU N 7.12656 100.57431 . . 107 141 LEU N 3.44526 55.16516 . . 108 143 GLN N 18.75982 98.71240 . . 109 144 SER N 3.74120 83.60202 . . 110 145 GLY N 7.92823 85.63894 . . 111 146 ASP N 7.56760 113.20582 . . 112 147 GLU N 1.65914 55.83850 . . 113 149 LYS N 5.55263 54.26509 . . 114 150 VAL N 5.67949 54.04925 . . 115 151 ASN N 1.45579 52.36874 . . 116 152 LEU N 2.92073 52.86865 . . 117 153 VAL N 1.04908 53.94271 . . 118 154 LEU N 1.92776 52.66833 . . 119 155 GLY N 6.95574 82.92241 . . 120 156 ASP N 1.87090 65.42968 . . 121 157 GLY N 9.76104 88.08235 . . 122 158 ARG N 1.93719 64.54259 . . 123 159 SER N 1.86062 62.76021 . . 124 161 GLY N 11.90288 40.58406 . . 125 162 LEU N 3.45399 44.24453 . . 126 164 ILE N 6.88215 51.81584 . . 127 168 ALA N 7.27851 26.41333 . . 128 171 GLY N 9.74388 61.50727 . . 129 172 LEU N 5.65715 46.74065 . . 130 174 ILE N 20.92581 42.75183 . . 131 176 ILE N 19.86016 59.94900 . . 132 179 VAL N 3.07142 49.29262 . . 133 180 ASP N 2.68626 49.78480 . . 134 182 GLY N 1.61318 61.87098 . . 135 183 SER N 2.38532 52.16071 . . 136 184 GLU N 11.62085 47.15278 . . 137 186 GLU N 2.60980 46.85519 . . 138 187 SER N 1.45646 46.73167 . . 139 188 SER N 2.00227 46.30545 . . 140 189 GLY N 2.05421 46.76865 . . 141 190 LEU N 6.77676 52.70229 . . 142 191 LYS N 7.64037 40.99656 . . 143 192 VAL N 2.98881 51.90340 . . 144 193 GLY N 9.38993 34.17289 . . 145 194 ASP N 7.31347 41.45608 . . 146 197 LEU N 4.83228 43.85371 . . 147 198 GLU N 2.21808 46.09377 . . 148 199 VAL N 1.22642 62.88075 . . 149 200 ASN N 1.02169 53.27131 . . 150 201 GLY N 1.49654 47.58039 . . 151 202 ARG N 0.99537 47.03879 . . 152 203 SER N 4.60722 47.94148 . . 153 204 PHE N 4.14202 44.19839 . . 154 205 LEU N 3.75527 44.38902 . . 155 206 ASN N 3.35809 50.39971 . . 156 207 ILE N 10.27239 62.07920 . . 157 208 LEU N 7.92810 52.86686 . . 158 209 HIS N 4.87315 40.93841 . . 159 210 ASP N 3.61460 40.81689 . . 160 211 GLU N 2.06209 41.48799 . . 161 212 ALA N 1.93146 43.52840 . . 162 213 VAL N 3.38761 50.64968 . . 163 214 LYS N 2.46299 31.67873 . . 164 215 LEU N 2.78329 43.94188 . . 165 216 LEU N 1.17247 41.98052 . . 166 218 SER N 4.91534 44.90631 . . 167 219 SER N 1.95454 53.70837 . . 168 221 HIS N 1.69290 54.80877 . . 169 222 LEU N 2.30133 50.32790 . . 170 223 ILE N 2.29713 50.63328 . . 171 224 LEU N 2.01080 49.93439 . . 172 225 THR N 1.41745 47.18934 . . 173 226 VAL N 7.71782 34.70220 . . 174 227 LYS N 8.28686 27.17741 . . 175 228 ASP N 16.60963 42.19053 . . 176 229 VAL N 29.97574 58.69639 . . 177 230 GLY N 2.24531 57.38486 . . 178 239 VAL N 2.94516 57.12480 . . 179 242 THR N 4.01071 37.56440 . . 180 243 LYS N 2.32801 96.42354 . . 181 251 GLY N 5.54902 59.99241 . . stop_ save_