data_26762 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Elk1 C-terminus aa309-429 ; _BMRB_accession_number 26762 _BMRB_flat_file_name bmr26762.str _Entry_type original _Submission_date 2016-03-20 _Accession_date 2016-03-20 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Theillet Francois X. . 2 Selenko Philipp . . 3 Mylona Anastasia . . 4 Treisman Richard . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 97 "13C chemical shifts" 321 "15N chemical shifts" 97 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-08-24 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 26786 'Elk1 C-terminus aa309-429 - 8 phosphorylated sites (pS337-pT354-pT364-pT369-pS384-pS390-pT418-pS423)' stop_ _Original_release_date 2016-03-21 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Opposing effects of Elk-1 multisite phosphorylation shape its response to ERK activation ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27738173 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mylona Anastasia . . 2 Theillet Francois-Xavier X. . 3 Foster Charles . . 4 Cheng Tammy M. . 5 Miralles Francesc . . 6 Bates Paul A. . 7 Selenko Philipp . . 8 Treisman Richard . . stop_ _Journal_abbreviation Science _Journal_name_full 'Science (New York, N.Y.)' _Journal_volume 354 _Journal_issue 6309 _Journal_ISSN 1095-9203 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 233 _Page_last 237 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Elk1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Elk1 $Elk1 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_Elk1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Elk1 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 122 _Mol_residue_sequence ; GTQPQKGRKPRDLELPLSPS LLGGQGPERTPGSGTSSGLQ APGPALTPSLLPTHTLTPVL LTPSSLPPSIHFWSTLSPIA PRSPAKLSFQFPSSGSAQVH IPSISVDGLSTPVVLSPGPQ KP ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 308 GLY 2 309 THR 3 310 GLN 4 311 PRO 5 312 GLN 6 313 LYS 7 314 GLY 8 315 ARG 9 316 LYS 10 317 PRO 11 318 ARG 12 319 ASP 13 320 LEU 14 321 GLU 15 322 LEU 16 323 PRO 17 324 LEU 18 325 SER 19 326 PRO 20 327 SER 21 328 LEU 22 329 LEU 23 330 GLY 24 331 GLY 25 332 GLN 26 333 GLY 27 334 PRO 28 335 GLU 29 336 ARG 30 337 THR 31 338 PRO 32 339 GLY 33 340 SER 34 341 GLY 35 342 THR 36 343 SER 37 344 SER 38 345 GLY 39 346 LEU 40 347 GLN 41 348 ALA 42 349 PRO 43 350 GLY 44 351 PRO 45 352 ALA 46 353 LEU 47 354 THR 48 355 PRO 49 356 SER 50 357 LEU 51 358 LEU 52 359 PRO 53 360 THR 54 361 HIS 55 362 THR 56 363 LEU 57 364 THR 58 365 PRO 59 366 VAL 60 367 LEU 61 368 LEU 62 369 THR 63 370 PRO 64 371 SER 65 372 SER 66 373 LEU 67 374 PRO 68 375 PRO 69 376 SER 70 377 ILE 71 378 HIS 72 379 PHE 73 380 TRP 74 381 SER 75 382 THR 76 383 LEU 77 384 SER 78 385 PRO 79 386 ILE 80 387 ALA 81 388 PRO 82 389 ARG 83 390 SER 84 391 PRO 85 392 ALA 86 393 LYS 87 394 LEU 88 395 SER 89 396 PHE 90 397 GLN 91 398 PHE 92 399 PRO 93 400 SER 94 401 SER 95 402 GLY 96 403 SER 97 404 ALA 98 405 GLN 99 406 VAL 100 407 HIS 101 408 ILE 102 409 PRO 103 410 SER 104 411 ILE 105 412 SER 106 413 VAL 107 414 ASP 108 415 GLY 109 416 LEU 110 417 SER 111 418 THR 112 419 PRO 113 420 VAL 114 421 VAL 115 422 LEU 116 423 SER 117 424 PRO 118 425 GLY 119 426 PRO 120 427 GLN 121 428 LYS 122 429 PRO 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 _Details $Elk1 Mouse 10090 Eukaryota Metazoa Mus musculus 'Sequence numbering is shifted (+1) according to human Elk1, to be consistent with the related paper.' 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 $Elk1 'recombinant technology' . Escherichia coli . pET-29 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'phosphate: 10 mM (at pH6.9: (HPO4)2- ~2.5mM and (PO4)3- ~ 7.5 mM )' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Elk1 400 uM '[U-99% 13C; U-99% 15N]' 'Na phosphate' 10 mM 'natural abundance' NaCl 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CcpNMR_Analysis _Saveframe_category software _Name CcpNMR_Analysis _Version 2.4 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 6.9 . pH pressure 1 . atm temperature 277 . 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 '13C chemical shift error: CACB:0.2; C:0.03' loop_ _Software_label $CcpNMR_Analysis stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCACB' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Elk1 _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 1 309 2 THR C C 174.655 0.03 1 2 309 2 THR CA C 61.885 0.2 1 3 309 2 THR CB C 69.885 0.2 1 4 310 3 GLN H H 8.745 0.003 1 5 310 3 GLN CA C 53.775 0.2 1 6 310 3 GLN CB C 28.775 0.2 1 7 310 3 GLN N N 124.655 0.03 1 8 311 4 PRO C C 176.845 0.03 1 9 311 4 PRO CA C 63.025 0.2 1 10 311 4 PRO CB C 32.005 0.2 1 11 312 5 GLN H H 8.715 0.003 1 12 312 5 GLN C C 176.165 0.03 1 13 312 5 GLN CA C 55.615 0.2 1 14 312 5 GLN CB C 29.565 0.2 1 15 312 5 GLN N N 121.535 0.03 1 16 313 6 LYS H H 8.615 0.003 1 17 313 6 LYS C C 177.135 0.03 1 18 313 6 LYS CA C 56.615 0.2 1 19 313 6 LYS CB C 32.915 0.2 1 20 313 6 LYS N N 123.695 0.03 1 21 314 7 GLY H H 8.645 0.003 1 22 314 7 GLY C C 173.845 0.03 1 23 314 7 GLY CA C 45.075 0.2 1 24 314 7 GLY N N 110.835 0.03 1 25 315 8 ARG H H 8.315 0.003 1 26 315 8 ARG C C 176.315 0.03 1 27 315 8 ARG CA C 55.715 0.2 1 28 315 8 ARG CB C 30.865 0.2 1 29 315 8 ARG N N 120.835 0.03 1 30 316 9 LYS H H 8.685 0.003 1 31 316 9 LYS CA C 54.315 0.2 1 32 316 9 LYS CB C 32.315 0.2 1 33 316 9 LYS N N 125.285 0.03 1 34 317 10 PRO C C 177.035 0.03 1 35 317 10 PRO CA C 63.375 0.2 1 36 317 10 PRO CB C 32.125 0.2 1 37 318 11 ARG H H 8.565 0.003 1 38 318 11 ARG C C 176.315 0.03 1 39 318 11 ARG CA C 56.255 0.2 1 40 318 11 ARG CB C 30.615 0.2 1 41 318 11 ARG N N 120.965 0.03 1 42 319 12 ASP H H 8.425 0.003 1 43 319 12 ASP C C 176.335 0.03 1 44 319 12 ASP CA C 54.715 0.2 1 45 319 12 ASP CB C 41.015 0.2 1 46 319 12 ASP N N 121.655 0.03 1 47 320 13 LEU H H 8.305 0.003 1 48 320 13 LEU C C 177.315 0.03 1 49 320 13 LEU CA C 55.145 0.2 1 50 320 13 LEU CB C 42.245 0.2 1 51 320 13 LEU N N 122.105 0.03 1 52 321 14 GLU H H 8.385 0.003 1 53 321 14 GLU C C 176.165 0.03 1 54 321 14 GLU CA C 56.115 0.2 1 55 321 14 GLU CB C 30.315 0.2 1 56 321 14 GLU N N 121.625 0.03 1 57 322 15 LEU H H 8.335 0.003 1 58 322 15 LEU CA C 52.865 0.2 1 59 322 15 LEU CB C 41.515 0.2 1 60 322 15 LEU N N 124.995 0.03 1 61 323 16 PRO C C 176.845 0.03 1 62 323 16 PRO CA C 62.775 0.2 1 63 324 17 LEU H H 8.515 0.003 1 64 324 17 LEU C C 177.435 0.03 1 65 324 17 LEU CA C 54.465 0.2 1 66 324 17 LEU CB C 42.315 0.2 1 67 324 17 LEU N N 122.735 0.03 1 68 325 18 SER H H 8.445 0.003 1 69 325 18 SER CA C 56.215 0.2 1 70 325 18 SER CB C 63.515 0.2 1 71 325 18 SER N N 118.365 0.03 1 72 326 19 PRO C C 177.195 0.03 1 73 326 19 PRO CB C 32.155 0.2 1 74 327 20 SER H H 8.465 0.003 1 75 327 20 SER C C 174.975 0.03 1 76 327 20 SER CA C 58.515 0.2 1 77 327 20 SER CB C 63.615 0.2 1 78 327 20 SER N N 115.735 0.03 1 79 328 21 LEU H H 8.415 0.003 1 80 328 21 LEU C C 177.685 0.03 1 81 328 21 LEU CA C 55.265 0.2 1 82 328 21 LEU CB C 42.315 0.2 1 83 328 21 LEU N N 124.635 0.03 1 84 329 22 LEU H H 8.265 0.003 1 85 329 22 LEU C C 178.075 0.03 1 86 329 22 LEU CA C 55.205 0.2 1 87 329 22 LEU CB C 42.065 0.2 1 88 329 22 LEU N N 122.295 0.03 1 89 330 23 GLY H H 8.485 0.003 1 90 330 23 GLY C C 174.895 0.03 1 91 330 23 GLY CA C 45.215 0.2 1 92 330 23 GLY N N 109.645 0.03 1 93 331 24 GLY H H 8.385 0.003 1 94 331 24 GLY C C 174.245 0.03 1 95 331 24 GLY CA C 45.275 0.2 1 96 331 24 GLY N N 108.795 0.03 1 97 332 25 GLN H H 8.445 0.003 1 98 332 25 GLN C C 176.275 0.03 1 99 332 25 GLN CA C 55.615 0.2 1 100 332 25 GLN CB C 29.815 0.2 1 101 332 25 GLN N N 119.595 0.03 1 102 333 26 GLY H H 8.515 0.003 1 103 333 26 GLY CA C 44.615 0.2 1 104 333 26 GLY N N 110.605 0.03 1 105 334 27 PRO C C 177.165 0.03 1 106 334 27 PRO CA C 63.125 0.2 1 107 334 27 PRO CB C 32.195 0.2 1 108 335 28 GLU H H 8.725 0.003 1 109 335 28 GLU CA C 56.615 0.2 1 110 335 28 GLU CB C 30.045 0.2 1 111 335 28 GLU N N 121.285 0.03 1 112 336 29 ARG H H 8.505 0.003 1 113 336 29 ARG C C 176.275 0.03 1 114 336 29 ARG CA C 55.795 0.2 1 115 336 29 ARG CB C 30.865 0.2 1 116 336 29 ARG N N 122.785 0.03 1 117 337 30 THR H H 8.435 0.003 1 118 337 30 THR CA C 59.955 0.2 1 119 337 30 THR CB C 69.665 0.2 1 120 337 30 THR N N 118.475 0.03 1 121 338 31 PRO C C 177.645 0.03 1 122 338 31 PRO CA C 63.665 0.2 1 123 338 31 PRO CB C 32.115 0.2 1 124 339 32 GLY H H 8.705 0.003 1 125 339 32 GLY C C 174.455 0.03 1 126 339 32 GLY CA C 45.065 0.03 1 127 339 32 GLY N N 110.325 0.03 1 128 340 33 SER H H 8.345 0.003 1 129 340 33 SER C C 175.335 0.03 1 130 340 33 SER CA C 58.515 0.2 1 131 340 33 SER CB C 63.915 0.2 1 132 340 33 SER N N 115.775 0.03 1 133 341 34 GLY H H 8.705 0.003 1 134 341 34 GLY C C 174.545 0.03 1 135 341 34 GLY CA C 45.395 0.2 1 136 341 34 GLY N N 111.295 0.03 1 137 342 35 THR H H 8.255 0.003 1 138 342 35 THR C C 175.005 0.03 1 139 342 35 THR CA C 61.715 0.2 1 140 342 35 THR CB C 69.915 0.2 1 141 342 35 THR N N 113.625 0.03 1 142 343 36 SER H H 8.575 0.003 1 143 343 36 SER C C 174.825 0.03 1 144 343 36 SER CA C 58.415 0.2 1 145 343 36 SER CB C 63.785 0.2 1 146 343 36 SER N N 118.445 0.03 1 147 344 37 SER H H 8.535 0.003 1 148 344 37 SER C C 175.085 0.03 1 149 344 37 SER CA C 58.515 0.2 1 150 344 37 SER CB C 63.715 0.2 1 151 344 37 SER N N 118.155 0.03 1 152 345 38 GLY H H 8.485 0.003 1 153 345 38 GLY C C 174.055 0.03 1 154 345 38 GLY CA C 45.215 0.2 1 155 345 38 GLY N N 110.845 0.03 1 156 346 39 LEU H H 8.185 0.003 1 157 346 39 LEU C C 177.445 0.03 1 158 346 39 LEU CA C 55.065 0.2 1 159 346 39 LEU CB C 42.315 0.2 1 160 346 39 LEU N N 121.715 0.03 1 161 347 40 GLN H H 8.525 0.003 1 162 347 40 GLN C C 175.325 0.03 1 163 347 40 GLN CA C 55.145 0.2 1 164 347 40 GLN CB C 29.715 0.2 1 165 347 40 GLN N N 121.975 0.03 1 166 348 41 ALA H H 8.535 0.003 1 167 348 41 ALA CA C 50.465 0.2 1 168 348 41 ALA CB C 18.015 0.2 1 169 348 41 ALA N N 127.705 0.03 1 170 349 42 PRO C C 177.255 0.03 1 171 349 42 PRO CA C 63.165 0.2 1 172 349 42 PRO CB C 32.355 0.2 1 173 350 43 GLY H H 8.415 0.003 1 174 350 43 GLY CA C 44.405 0.2 1 175 350 43 GLY N N 109.475 0.03 1 176 351 44 PRO C C 176.715 0.03 1 177 351 44 PRO CA C 62.905 0.2 1 178 351 44 PRO CB C 32.205 0.2 1 179 352 45 ALA H H 8.525 0.003 1 180 352 45 ALA C C 177.815 0.03 1 181 352 45 ALA CA C 52.265 0.2 1 182 352 45 ALA CB C 19.115 0.2 1 183 352 45 ALA N N 124.415 0.03 1 184 353 46 LEU H H 8.445 0.003 1 185 353 46 LEU C C 177.415 0.03 1 186 353 46 LEU CA C 54.865 0.2 1 187 353 46 LEU CB C 42.405 0.2 1 188 353 46 LEU N N 122.255 0.03 1 189 354 47 THR H H 8.325 0.003 1 190 354 47 THR CA C 59.715 0.2 1 191 354 47 THR CB C 69.715 0.2 1 192 354 47 THR N N 118.065 0.03 1 193 355 48 PRO C C 176.905 0.03 1 194 355 48 PRO CA C 63.075 0.2 1 195 355 48 PRO CB C 32.225 0.2 1 196 356 49 SER H H 8.535 0.003 1 197 356 49 SER C C 174.525 0.03 1 198 356 49 SER CA C 58.305 0.2 1 199 356 49 SER CB C 63.725 0.2 1 200 356 49 SER N N 116.445 0.03 1 201 357 50 LEU H H 8.465 0.003 1 202 357 50 LEU C C 177.155 0.03 1 203 357 50 LEU CA C 54.895 0.2 1 204 357 50 LEU CB C 42.305 0.2 1 205 357 50 LEU N N 124.735 0.03 1 206 358 51 LEU H H 8.305 0.003 1 207 358 51 LEU CA C 52.965 0.2 1 208 358 51 LEU CB C 41.525 0.2 1 209 358 51 LEU N N 124.545 0.03 1 210 359 52 PRO C C 177.155 0.03 1 211 359 52 PRO CA C 63.065 0.2 1 212 359 52 PRO CB C 32.125 0.2 1 213 360 53 THR H H 8.345 0.003 1 214 360 53 THR C C 174.465 0.03 1 215 360 53 THR CA C 61.915 0.2 1 216 360 53 THR CB C 69.855 0.2 1 217 360 53 THR N N 114.355 0.03 1 218 361 54 HIS H H 8.410 0.003 1 219 361 54 HIS C C 175.055 0.03 1 220 361 54 HIS CA C 55.975 0.2 1 221 361 54 HIS CB C 30.585 0.2 1 222 361 54 HIS N N 121.665 0.03 1 223 362 55 THR H H 8.275 0.003 1 224 362 55 THR C C 174.145 0.03 1 225 362 55 THR CA C 61.935 0.2 1 226 362 55 THR CB C 69.875 0.2 1 227 362 55 THR N N 116.905 0.03 1 228 363 56 LEU H H 8.555 0.003 1 229 363 56 LEU C C 177.245 0.03 1 230 363 56 LEU CA C 55.055 0.2 1 231 363 56 LEU CB C 42.365 0.2 1 232 363 56 LEU N N 125.555 0.03 1 233 364 57 THR H H 8.365 0.003 1 234 364 57 THR CA C 59.875 0.2 1 235 364 57 THR CB C 69.685 0.2 1 236 364 57 THR N N 118.925 0.03 1 237 365 58 PRO C C 176.655 0.03 1 238 365 58 PRO CA C 63.195 0.2 1 239 365 58 PRO CB C 32.225 0.2 1 240 366 59 VAL H H 8.415 0.003 1 241 366 59 VAL C C 176.065 0.03 1 242 366 59 VAL CA C 62.475 0.2 1 243 366 59 VAL CB C 32.705 0.2 1 244 366 59 VAL N N 121.945 0.03 1 245 367 60 LEU H H 8.495 0.003 1 246 367 60 LEU C C 176.895 0.03 1 247 367 60 LEU CA C 54.725 0.2 1 248 367 60 LEU CB C 42.415 0.2 1 249 367 60 LEU N N 127.485 0.03 1 250 368 61 LEU H H 8.485 0.003 1 251 368 61 LEU C C 177.115 0.03 1 252 368 61 LEU CA C 54.815 0.2 1 253 368 61 LEU CB C 42.415 0.2 1 254 368 61 LEU N N 124.585 0.03 1 255 369 62 THR H H 8.325 0.003 1 256 369 62 THR CA C 59.815 0.2 1 257 369 62 THR CB C 69.815 0.2 1 258 369 62 THR N N 118.115 0.03 1 259 370 63 PRO C C 177.055 0.03 1 260 370 63 PRO CA C 63.185 0.2 1 261 370 63 PRO CB C 32.245 0.2 1 262 371 64 SER H H 8.565 0.003 1 263 371 64 SER C C 174.655 0.03 1 264 371 64 SER CA C 58.425 0.2 1 265 371 64 SER CB C 63.875 0.2 1 266 371 64 SER N N 116.105 0.03 1 267 372 65 SER H H 8.435 0.003 1 268 372 65 SER C C 173.975 0.03 1 269 372 65 SER CA C 58.165 0.2 1 270 372 65 SER CB C 63.915 0.2 1 271 372 65 SER N N 118.325 0.03 1 272 373 66 LEU H H 8.335 0.003 1 273 373 66 LEU CA C 53.035 0.2 1 274 373 66 LEU CB C 41.615 0.2 1 275 373 66 LEU N N 125.265 0.03 1 276 375 68 PRO C C 176.895 0.03 1 277 375 68 PRO CA C 62.995 0.2 1 278 375 68 PRO CB C 32.045 0.2 1 279 376 69 SER H H 8.465 0.003 1 280 376 69 SER C C 174.685 0.03 1 281 376 69 SER CA C 58.145 0.2 1 282 376 69 SER CB C 63.775 0.2 1 283 376 69 SER N N 116.195 0.03 1 284 377 70 ILE H H 8.205 0.003 1 285 377 70 ILE C C 175.865 0.03 1 286 377 70 ILE CA C 61.315 0.2 1 287 377 70 ILE CB C 38.595 0.2 1 288 377 70 ILE N N 122.315 0.03 1 289 378 71 HIS H H 8.315 0.003 1 290 378 71 HIS C C 174.865 0.03 1 291 378 71 HIS CA C 55.615 0.2 1 292 378 71 HIS CB C 30.515 0.2 1 293 378 71 HIS N N 122.975 0.03 1 294 379 72 PHE H H 8.175 0.003 1 295 379 72 PHE C C 175.345 0.03 1 296 379 72 PHE CA C 58.265 0.2 1 297 379 72 PHE CB C 39.555 0.2 1 298 379 72 PHE N N 122.065 0.03 1 299 380 73 TRP H H 8.075 0.003 1 300 380 73 TRP C C 176.025 0.03 1 301 380 73 TRP CA C 57.215 0.2 1 302 380 73 TRP CB C 29.655 0.2 1 303 380 73 TRP N N 122.315 0.03 1 304 381 74 SER H H 8.075 0.003 1 305 381 74 SER C C 174.605 0.03 1 306 381 74 SER CA C 58.375 0.2 1 307 381 74 SER CB C 63.925 0.2 1 308 381 74 SER N N 117.225 0.03 1 309 382 75 THR H H 8.185 0.003 1 310 382 75 THR C C 174.495 0.03 1 311 382 75 THR CA C 62.155 0.2 1 312 382 75 THR CB C 69.565 0.2 1 313 382 75 THR N N 115.735 0.03 1 314 383 76 LEU H H 8.175 0.003 1 315 383 76 LEU C C 177.235 0.03 1 316 383 76 LEU CA C 55.005 0.2 1 317 383 76 LEU CB C 42.345 0.2 1 318 383 76 LEU N N 123.955 0.03 1 319 384 77 SER H H 8.335 0.003 1 320 384 77 SER CA C 56.325 0.2 1 321 384 77 SER CB C 63.245 0.2 1 322 384 77 SER N N 118.425 0.03 1 323 385 78 PRO C C 176.765 0.03 1 324 385 78 PRO CA C 63.115 0.2 1 325 385 78 PRO CB C 32.115 0.2 1 326 386 79 ILE H H 8.235 0.003 1 327 386 79 ILE C C 175.815 0.03 1 328 386 79 ILE CA C 60.765 0.2 1 329 386 79 ILE CB C 38.695 0.2 1 330 386 79 ILE N N 120.995 0.03 1 331 387 80 ALA H H 8.445 0.003 1 332 387 80 ALA CA C 50.465 0.2 1 333 387 80 ALA CB C 18.015 0.2 1 334 387 80 ALA N N 130.365 0.03 1 335 388 81 PRO C C 176.875 0.03 1 336 388 81 PRO CA C 62.815 0.2 1 337 388 81 PRO CB C 32.135 0.2 1 338 389 82 ARG H H 8.595 0.003 1 339 389 82 ARG C C 176.345 0.03 1 340 389 82 ARG CA C 55.975 0.2 1 341 389 82 ARG CB C 30.925 0.2 1 342 389 82 ARG N N 121.835 0.03 1 343 390 83 SER H H 8.545 0.003 1 344 390 83 SER CA C 56.375 0.2 1 345 390 83 SER CB C 63.235 0.2 1 346 390 83 SER N N 119.055 0.03 1 347 391 84 PRO C C 176.605 0.03 1 348 391 84 PRO CA C 63.115 0.2 1 349 391 84 PRO CB C 32.155 0.2 1 350 392 85 ALA H H 8.475 0.003 1 351 392 85 ALA C C 177.855 0.03 1 352 392 85 ALA CA C 52.535 0.2 1 353 392 85 ALA CB C 19.115 0.2 1 354 392 85 ALA N N 124.755 0.03 1 355 393 86 LYS H H 8.435 0.003 1 356 393 86 LYS C C 176.585 0.03 1 357 393 86 LYS CA C 56.195 0.2 1 358 393 86 LYS CB C 33.025 0.2 1 359 393 86 LYS N N 121.265 0.03 1 360 394 87 LEU H H 8.405 0.003 1 361 394 87 LEU C C 177.315 0.03 1 362 394 87 LEU CA C 55.015 0.2 1 363 394 87 LEU CB C 42.375 0.2 1 364 394 87 LEU N N 124.085 0.03 1 365 395 88 SER H H 8.335 0.003 1 366 395 88 SER C C 174.005 0.03 1 367 395 88 SER CA C 58.115 0.2 1 368 395 88 SER CB C 63.875 0.2 1 369 395 88 SER N N 116.755 0.03 1 370 396 89 PHE H H 8.305 0.003 1 371 396 89 PHE C C 175.145 0.03 1 372 396 89 PHE CA C 57.805 0.2 1 373 396 89 PHE CB C 39.645 0.2 1 374 396 89 PHE N N 122.355 0.03 1 375 397 90 GLN H H 8.125 0.003 1 376 397 90 GLN C C 174.795 0.03 1 377 397 90 GLN CA C 55.245 0.2 1 378 397 90 GLN CB C 29.795 0.2 1 379 397 90 GLN N N 122.325 0.03 1 380 398 91 PHE H H 8.345 0.003 1 381 398 91 PHE CA C 56.035 0.2 1 382 398 91 PHE CB C 38.825 0.2 1 383 398 91 PHE N N 122.545 0.03 1 384 399 92 PRO C C 177.025 0.03 1 385 399 92 PRO CA C 63.145 0.2 1 386 399 92 PRO CB C 32.095 0.2 1 387 400 93 SER H H 8.645 0.003 1 388 400 93 SER C C 174.945 0.03 1 389 400 93 SER CA C 58.355 0.2 1 390 400 93 SER CB C 63.825 0.2 1 391 400 93 SER N N 116.805 0.03 1 392 401 94 SER H H 8.555 0.003 1 393 401 94 SER C C 175.195 0.03 1 394 401 94 SER CA C 58.645 0.2 1 395 401 94 SER CB C 63.865 0.2 1 396 401 94 SER N N 117.945 0.03 1 397 402 95 GLY H H 8.565 0.003 1 398 402 95 GLY C C 174.295 0.03 1 399 402 95 GLY CA C 45.345 0.2 1 400 402 95 GLY N N 111.085 0.03 1 401 403 96 SER H H 8.305 0.003 1 402 403 96 SER C C 174.375 0.03 1 403 403 96 SER CA C 58.365 0.2 1 404 403 96 SER CB C 63.955 0.2 1 405 403 96 SER N N 115.905 0.03 1 406 404 97 ALA H H 8.475 0.003 1 407 404 97 ALA C C 177.655 0.03 1 408 404 97 ALA CA C 52.555 0.2 1 409 404 97 ALA CB C 19.065 0.2 1 410 404 97 ALA N N 126.005 0.03 1 411 405 98 GLN H H 8.415 0.003 1 412 405 98 GLN C C 175.825 0.03 1 413 405 98 GLN CA C 55.655 0.2 1 414 405 98 GLN CB C 29.515 0.2 1 415 405 98 GLN N N 120.055 0.03 1 416 406 99 VAL H H 8.275 0.003 1 417 406 99 VAL C C 175.675 0.03 1 418 406 99 VAL CA C 62.185 0.2 1 419 406 99 VAL CB C 32.855 0.2 1 420 406 99 VAL N N 122.325 0.03 1 421 407 100 HIS H H 8.665 0.003 1 422 407 100 HIS C C 174.575 0.03 1 423 407 100 HIS CA C 55.775 0.2 1 424 407 100 HIS CB C 30.555 0.2 1 425 407 100 HIS N N 124.675 0.03 1 426 408 101 ILE H H 8.385 0.003 1 427 408 101 ILE CA C 58.375 0.2 1 428 408 101 ILE CB C 38.525 0.2 1 429 408 101 ILE N N 126.585 0.03 1 430 409 102 PRO C C 176.755 0.03 1 431 409 102 PRO CA C 63.125 0.2 1 432 409 102 PRO CB C 32.275 0.2 1 433 410 103 SER H H 8.575 0.003 1 434 410 103 SER C C 174.505 0.03 1 435 410 103 SER CA C 58.205 0.2 1 436 410 103 SER CB C 63.775 0.2 1 437 410 103 SER N N 116.975 0.03 1 438 411 104 ILE H H 8.335 0.003 1 439 411 104 ILE C C 176.195 0.03 1 440 411 104 ILE CA C 61.055 0.2 1 441 411 104 ILE CB C 39.035 0.2 1 442 411 104 ILE N N 122.785 0.03 1 443 412 105 SER H H 8.545 0.003 1 444 412 105 SER C C 174.895 0.03 1 445 412 105 SER CA C 57.955 0.2 1 446 412 105 SER CB C 63.945 0.2 1 447 412 105 SER N N 120.565 0.03 1 448 413 106 VAL H H 8.495 0.003 1 449 413 106 VAL C C 176.155 0.03 1 450 413 106 VAL CA C 62.415 0.2 1 451 413 106 VAL CB C 32.635 0.2 1 452 413 106 VAL N N 122.405 0.03 1 453 414 107 ASP H H 8.435 0.003 1 454 414 107 ASP C C 176.815 0.03 1 455 414 107 ASP CA C 54.455 0.2 1 456 414 107 ASP CB C 41.085 0.2 1 457 414 107 ASP N N 123.155 0.03 1 458 415 108 GLY H H 8.395 0.003 1 459 415 108 GLY C C 174.315 0.03 1 460 415 108 GLY CA C 45.465 0.2 1 461 415 108 GLY N N 109.365 0.03 1 462 416 109 LEU H H 8.175 0.003 1 463 416 109 LEU C C 177.665 0.03 1 464 416 109 LEU CA C 55.045 0.2 1 465 416 109 LEU CB C 42.415 0.2 1 466 416 109 LEU N N 121.435 0.03 1 467 417 110 SER H H 8.465 0.003 1 468 417 110 SER C C 174.255 0.03 1 469 417 110 SER CA C 58.205 0.2 1 470 417 110 SER CB C 63.755 0.2 1 471 417 110 SER N N 117.115 0.03 1 472 418 111 THR H H 8.315 0.003 1 473 418 111 THR CA C 59.965 0.2 1 474 418 111 THR CB C 69.845 0.2 1 475 418 111 THR N N 119.305 0.03 1 476 419 112 PRO C C 176.715 0.03 1 477 419 112 PRO CA C 63.145 0.2 1 478 419 112 PRO CB C 32.355 0.2 1 479 420 113 VAL H H 8.455 0.003 1 480 420 113 VAL C C 176.145 0.03 1 481 420 113 VAL CA C 62.535 0.2 1 482 420 113 VAL CB C 32.755 0.2 1 483 420 113 VAL N N 122.295 0.03 1 484 421 114 VAL H H 8.495 0.003 1 485 421 114 VAL C C 175.935 0.03 1 486 421 114 VAL CA C 62.065 0.2 1 487 421 114 VAL CB C 32.875 0.2 1 488 421 114 VAL N N 126.695 0.03 1 489 422 115 LEU H H 8.615 0.003 1 490 422 115 LEU C C 177.055 0.03 1 491 422 115 LEU CA C 54.745 0.2 1 492 422 115 LEU CB C 42.425 0.2 1 493 422 115 LEU N N 128.075 0.03 1 494 423 116 SER H H 8.555 0.003 1 495 423 116 SER CA C 56.195 0.2 1 496 423 116 SER CB C 63.275 0.2 1 497 423 116 SER N N 118.855 0.03 1 498 424 117 PRO C C 177.195 0.03 1 499 424 117 PRO CA C 63.305 0.2 1 500 424 117 PRO CB C 32.395 0.2 1 501 425 118 GLY H H 8.385 0.003 1 502 425 118 GLY CA C 44.415 0.2 1 503 425 118 GLY N N 109.325 0.03 1 504 426 119 PRO C C 177.145 0.03 1 505 426 119 PRO CA C 62.955 0.2 1 506 426 119 PRO CB C 32.165 0.2 1 507 427 120 GLN H H 8.695 0.003 1 508 427 120 GLN C C 175.815 0.03 1 509 427 120 GLN CA C 55.435 0.2 1 510 427 120 GLN CB C 29.595 0.2 1 511 427 120 GLN N N 121.525 0.03 1 512 428 121 LYS H H 8.565 0.003 1 513 428 121 LYS CA C 54.265 0.2 1 514 428 121 LYS CB C 32.455 0.2 1 515 428 121 LYS N N 125.465 0.03 1 stop_ save_