data_19778 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structural model of tandem RRM domains of cytoplasmic polyadenylation element binding protein 1 (CPEB1) in complex with RNA ; _BMRB_accession_number 19778 _BMRB_flat_file_name bmr19778.str _Entry_type original _Submission_date 2014-02-07 _Accession_date 2014-02-07 _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 Afroz Tariq . . 2 Skrisovska Lenka . . 3 Belloc Eulalia . . 4 Boixet Jordina G. . 5 Mendez Raul . . 6 Allain Frederic H.-T. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 692 "13C chemical shifts" 373 "15N chemical shifts" 194 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-07-21 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 19771 CPEB1ZZ 19775 CPEB1RRM12 19776 'CPEB4RRM12 in complex with RNA' 19777 'CPEB4RRM12 in free state' stop_ _Original_release_date 2014-07-21 save_ ############################# # Citation for this entry # ############################# save_CPEB1RRM12Complex_Citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'A fly trap mechanism provides sequence-specific RNA recognition by CPEB proteins' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24990967 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Afroz Tariq . . 2 Skrisovska Lenka . . 3 Belloc Eulalia . . 4 Boixet Jordina G. . 5 Mendez Raul . . 6 Allain Frederic H.-T. . stop_ _Journal_abbreviation 'Genes Dev.' _Journal_volume 28 _Journal_issue 13 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1498 _Page_last 1514 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'CPEB1RRM12 in complex with RNA' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CPEB1RRM12 $CPEB1RRM12 'RNA (5'-R(*UP*UP*UP*UP*A)-3')' $5'-UUUUA-3' 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_CPEB1RRM12 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CPEB1RRM12 _Molecular_mass 23930.746 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 213 _Mol_residue_sequence ; MTWSGQLPPRNYKNPIYSCK VFLGGVPWDITEAGLVNTFR VFGSLSVEWPGKDGKHPRCP PKGYVYLVFELEKSVRSLLQ ACSHDPLSPDGLSEYYFKMS SRRMRCKEVQVIPWVLADSN FVRSPSQRLDPSRTVFVGAL HGMLNAEALAAILNDLFGGV VYAGIDTDKHKYPIGSGRVT FNNQRSYLKAVSAAFVEIKT TKFTKKVQIDPYL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 218 MET 2 219 THR 3 220 TRP 4 221 SER 5 222 GLY 6 223 GLN 7 224 LEU 8 225 PRO 9 226 PRO 10 227 ARG 11 228 ASN 12 229 TYR 13 230 LYS 14 231 ASN 15 232 PRO 16 233 ILE 17 234 TYR 18 235 SER 19 236 CYS 20 237 LYS 21 238 VAL 22 239 PHE 23 240 LEU 24 241 GLY 25 242 GLY 26 243 VAL 27 244 PRO 28 245 TRP 29 246 ASP 30 247 ILE 31 248 THR 32 249 GLU 33 250 ALA 34 251 GLY 35 252 LEU 36 253 VAL 37 254 ASN 38 255 THR 39 256 PHE 40 257 ARG 41 258 VAL 42 259 PHE 43 260 GLY 44 261 SER 45 262 LEU 46 263 SER 47 264 VAL 48 265 GLU 49 266 TRP 50 267 PRO 51 268 GLY 52 269 LYS 53 270 ASP 54 271 GLY 55 272 LYS 56 273 HIS 57 274 PRO 58 275 ARG 59 276 CYS 60 277 PRO 61 278 PRO 62 279 LYS 63 280 GLY 64 281 TYR 65 282 VAL 66 283 TYR 67 284 LEU 68 285 VAL 69 286 PHE 70 287 GLU 71 288 LEU 72 289 GLU 73 290 LYS 74 291 SER 75 292 VAL 76 293 ARG 77 294 SER 78 295 LEU 79 296 LEU 80 297 GLN 81 298 ALA 82 299 CYS 83 300 SER 84 301 HIS 85 302 ASP 86 303 PRO 87 304 LEU 88 305 SER 89 306 PRO 90 307 ASP 91 308 GLY 92 309 LEU 93 310 SER 94 311 GLU 95 312 TYR 96 313 TYR 97 314 PHE 98 315 LYS 99 316 MET 100 317 SER 101 318 SER 102 319 ARG 103 320 ARG 104 321 MET 105 322 ARG 106 323 CYS 107 324 LYS 108 325 GLU 109 326 VAL 110 327 GLN 111 328 VAL 112 329 ILE 113 330 PRO 114 331 TRP 115 332 VAL 116 333 LEU 117 334 ALA 118 335 ASP 119 336 SER 120 337 ASN 121 338 PHE 122 339 VAL 123 340 ARG 124 341 SER 125 342 PRO 126 343 SER 127 344 GLN 128 345 ARG 129 346 LEU 130 347 ASP 131 348 PRO 132 349 SER 133 350 ARG 134 351 THR 135 352 VAL 136 353 PHE 137 354 VAL 138 355 GLY 139 356 ALA 140 357 LEU 141 358 HIS 142 359 GLY 143 360 MET 144 361 LEU 145 362 ASN 146 363 ALA 147 364 GLU 148 365 ALA 149 366 LEU 150 367 ALA 151 368 ALA 152 369 ILE 153 370 LEU 154 371 ASN 155 372 ASP 156 373 LEU 157 374 PHE 158 375 GLY 159 376 GLY 160 377 VAL 161 378 VAL 162 379 TYR 163 380 ALA 164 381 GLY 165 382 ILE 166 383 ASP 167 384 THR 168 385 ASP 169 386 LYS 170 387 HIS 171 388 LYS 172 389 TYR 173 390 PRO 174 391 ILE 175 392 GLY 176 393 SER 177 394 GLY 178 395 ARG 179 396 VAL 180 397 THR 181 398 PHE 182 399 ASN 183 400 ASN 184 401 GLN 185 402 ARG 186 403 SER 187 404 TYR 188 405 LEU 189 406 LYS 190 407 ALA 191 408 VAL 192 409 SER 193 410 ALA 194 411 ALA 195 412 PHE 196 413 VAL 197 414 GLU 198 415 ILE 199 416 LYS 200 417 THR 201 418 THR 202 419 LYS 203 420 PHE 204 421 THR 205 422 LYS 206 423 LYS 207 424 VAL 208 425 GLN 209 426 ILE 210 427 ASP 211 428 PRO 212 429 TYR 213 430 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-05 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 19775 CPEB1RRM12 100.00 217 100.00 100.00 7.99e-156 PDB 2MKH "Solution Structure Of Tandem Rrm Domains Of Cytoplasmic Polyadenylation Element Binding Protein 1 (cpeb1) In Free State" 99.06 212 100.00 100.00 2.79e-154 PDB 2MKK "Structural Model Of Tandem Rrm Domains Of Cytoplasmic Polyadenylation Element Binding Protein 1 (cpeb1) In Complex With Rna" 100.00 213 100.00 100.00 5.69e-156 DBJ BAB14496 "unnamed protein product [Homo sapiens]" 99.53 486 99.53 99.53 2.31e-150 DBJ BAE87429 "unnamed protein product [Macaca fascicularis]" 99.53 382 99.53 100.00 1.08e-151 DBJ BAG63194 "unnamed protein product [Homo sapiens]" 99.53 335 99.53 99.53 6.38e-152 DBJ BAH11723 "unnamed protein product [Homo sapiens]" 99.53 564 100.00 100.00 4.88e-150 DBJ BAH13212 "unnamed protein product [Homo sapiens]" 99.53 486 100.00 100.00 3.11e-151 EMBL CAH92427 "hypothetical protein [Pongo abelii]" 99.53 486 99.06 100.00 3.98e-150 GB AAH35348 "Cytoplasmic polyadenylation element binding protein 1 [Homo sapiens]" 99.53 486 100.00 100.00 3.11e-151 GB AAH50629 "Cytoplasmic polyadenylation element binding protein 1 [Homo sapiens]" 99.53 561 100.00 100.00 1.74e-150 GB AAK01239 "cytoplasmic polyadenylation element-binding protein long form [Homo sapiens]" 101.88 566 97.70 97.70 3.51e-148 GB AAK01240 "cytoplasmic polyadenylation element-binding protein short form [Homo sapiens]" 101.88 491 97.70 97.70 1.04e-148 GB ADQ32841 "cytoplasmic polyadenylation element binding protein 1 [synthetic construct]" 99.53 486 100.00 100.00 3.11e-151 REF NP_001073001 "cytoplasmic polyadenylation element-binding protein 1 isoform 2 [Homo sapiens]" 101.88 491 97.70 97.70 1.04e-148 REF NP_001073002 "cytoplasmic polyadenylation element-binding protein 1 isoform 3 [Homo sapiens]" 99.53 486 100.00 100.00 3.11e-151 REF NP_001073003 "cytoplasmic polyadenylation element-binding protein 1 isoform 3 [Homo sapiens]" 99.53 486 100.00 100.00 3.11e-151 REF NP_001126432 "cytoplasmic polyadenylation element-binding protein 1 [Pongo abelii]" 99.53 486 99.06 100.00 3.98e-150 REF NP_001239455 "cytoplasmic polyadenylation element-binding protein 1 isoform 3 [Mus musculus]" 99.53 556 98.58 99.53 1.66e-148 SP Q5R733 "RecName: Full=Cytoplasmic polyadenylation element-binding protein 1; Short=CPE-BP1; Short=CPE-binding protein 1; Short=CPEB-1" 99.53 486 99.06 100.00 3.98e-150 SP Q9BZB8 "RecName: Full=Cytoplasmic polyadenylation element-binding protein 1; Short=CPE-BP1; Short=CPE-binding protein 1; Short=h-CPEB; " 101.88 566 97.70 97.70 3.51e-148 TPG DAA17635 "TPA: cytoplasmic polyadenylation element binding protein 1-like [Bos taurus]" 99.53 486 99.06 100.00 4.94e-150 stop_ save_ save_5'-UUUUA-3' _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common 5'-UUUUA-3' _Molecular_mass 1508.924 _Mol_thiol_state . _Details . _Residue_count 5 _Mol_residue_sequence UUUUA loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 U 2 2 U 3 3 U 4 4 U 5 5 A 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 $CPEB1RRM12 Human 9606 Eukaryota Metazoa Homo sapiens $5'-UUUUA-3' 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 $CPEB1RRM12 'recombinant technology' . . . . pET28A(+) $5'-UUUUA-3' 'chemical synthesis' . . . . . 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $CPEB1RRM12 . mM 0.4 0.6 '[U-100% 13C; U-100% 15N; U-80% 2H]' $5'-UUUUA-3' . mM 0.4 0.6 'natural abundance' 'sodium chloride' 100 mM . . 'natural abundance' 'sodium phosphate' 50 mM . . 'natural abundance' DTT 1 mM . . 'natural abundance' 'magnesium sulfate' 1 mM . . 'natural abundance' D2O 10 % . . 'natural abundance' H2O 90 % . . 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $CPEB1RRM12 . mM 0.4 0.6 '[U-100% 13C; U-100% 15N]' $5'-UUUUA-3' . mM 0.4 0.6 'natural abundance' 'sodium chloride' 100 mM . . 'natural abundance' 'sodium phosphate' 50 mM . . 'natural abundance' DTT 1 mM . . 'natural abundance' 'magnesium sulfate' 1 mM . . 'natural abundance' D2O 10 % . . 'natural abundance' H2O 90 % . . 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $CPEB1RRM12 . mM 0.4 0.6 '[U-100% 13C; U-100% 15N]' $5'-UUUUA-3' . mM 0.4 0.6 'natural abundance' 'sodium chloride' 100 mM . . 'natural abundance' 'sodium phosphate' 50 mM . . 'natural abundance' DTT 1 mM . . 'natural abundance' 'magnesium sulfate' 1 mM . . 'natural abundance' D2O 100 % . . 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $CPEB1RRM12 . mM 0.4 0.6 '[U-100% 15N]' $5'-UUUUA-3' . mM 0.4 0.6 'natural abundance' 'sodium chloride' 100 mM . . 'natural abundance' 'sodium phosphate' 50 mM . . 'natural abundance' DTT 1 mM . . 'natural abundance' 'magnesium sulfate' 1 mM . . 'natural abundance' D2O 10 % . . 'natural abundance' H2O 90 % . . 'natural abundance' stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $CPEB1RRM12 . mM 0.4 0.6 '[U-100% 15N]' $5'-UUUUA-3' . mM 0.4 0.6 'natural abundance' 'sodium chloride' 100 mM . . 'natural abundance' 'sodium phosphate' 50 mM . . 'natural abundance' DTT 1 mM . . 'natural abundance' 'magnesium sulfate' 1 mM . . 'natural abundance' D2O 100 % . . 'natural abundance' stop_ save_ save_sample_6 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $CPEB1RRM12 . mM 0.4 0.6 '[U-100% 15N]' $5'-UUUUA-3' . mM 0.4 0.6 'natural abundance' 'sodium chloride' 100 mM . . 'natural abundance' 'sodium phosphate' 50 mM . . 'natural abundance' DTT 1 mM . . 'natural abundance' 'magnesium sulfate' 1 mM . . 'natural abundance' D2O 100 % . . 'natural abundance' stop_ save_ save_sample_7 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $CPEB1RRM12 . mM 0.4 0.6 '[U-100% 13C; U-100% 15N]' $5'-UUUUA-3' . mM 0.4 0.6 'natural abundance' 'sodium chloride' 100 mM . . 'natural abundance' 'sodium phosphate' 50 mM . . 'natural abundance' DTT 1 mM . . 'natural abundance' 'magnesium sulfate' 1 mM . . 'natural abundance' D2O 100 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . 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 900 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_4 save_ save_2D_TROSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TROSY' _Sample_label $sample_4 save_ save_2D_1H-13C_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aliphatic_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aromatic_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_2 save_ save_2D_1H-1H_TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_5 save_ save_2D_1H-1H_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_5 save_ save_3D_trHNCA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D trHNCA' _Sample_label $sample_1 save_ save_3D_trHN(CO)CA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D trHN(CO)CA' _Sample_label $sample_1 save_ save_3D_trCBCA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D trCBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_trHNCACB_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D trHNCACB' _Sample_label $sample_1 save_ save_3D_trHNCACO_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D trHNCACO' _Sample_label $sample_1 save_ save_3D_trHNCO_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D trHNCO' _Sample_label $sample_1 save_ save_3D_hCCH-TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D hCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_HCcH-TOCSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCcH-TOCSY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_4 save_ save_3D_1H-13C_NOESY_aliphatic_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_2D_13C-F1-filtered_F2-filtered_NOESY_19 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C-F1-filtered F2-filtered NOESY' _Sample_label $sample_6 save_ save_2D_1H-1H_F1-13C-filtered_F2-13C-edited_NOESY_20 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H F1-13C-filtered F2-13C-edited NOESY' _Sample_label $sample_6 save_ save_3D_13C-F1-edited_F3-filtered_NOESY_HSQC_21 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-F1-edited F3-filtered NOESY HSQC' _Sample_label $sample_6 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.15 . M pH 6.5 . pH pressure 1 . atm temperature 313 . 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 water H 1 protons ppm 4.602 internal direct . . . 1.000000000 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_CPEB1RRM12Complex _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D TROSY' '2D 1H-13C HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '2D 1H-1H TOCSY' '2D 1H-1H NOESY' '3D trHNCA' '3D trHN(CO)CA' '3D trCBCA(CO)NH' '3D trHNCACB' '3D trHNCACO' '3D trHNCO' '3D hCCH-TOCSY' '3D HCcH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '2D 13C-F1-filtered F2-filtered NOESY' '2D 1H-1H F1-13C-filtered F2-13C-edited NOESY' stop_ loop_ _Sample_label $sample_4 $sample_2 $sample_5 $sample_1 $sample_6 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name CPEB1RRM12 _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 1 219 2 THR H H 8.421 0.003 . 2 219 2 THR HA H 5.384 0.002 . 3 219 2 THR HB H 3.976 0.001 . 4 219 2 THR HG2 H 1.156 0.002 . 5 219 2 THR CA C 58.269 0.000 . 6 219 2 THR CB C 68.806 0.000 . 7 219 2 THR CG2 C 18.506 0.000 . 8 219 2 THR N N 118.334 0.014 . 9 220 3 TRP H H 9.133 0.006 . 10 220 3 TRP HA H 3.996 0.003 . 11 220 3 TRP HD1 H 7.121 0.004 . 12 220 3 TRP HE1 H 11.715 0.007 . 13 220 3 TRP HE3 H 7.266 0.003 . 14 220 3 TRP HZ2 H 7.267 0.000 . 15 220 3 TRP HZ3 H 6.452 0.009 . 16 220 3 TRP HH2 H 6.617 0.002 . 17 220 3 TRP CA C 55.000 0.000 . 18 220 3 TRP CD1 C 127.334 0.000 . 19 220 3 TRP CE3 C 120.541 0.000 . 20 220 3 TRP CZ2 C 114.662 0.000 . 21 220 3 TRP CZ3 C 121.372 0.000 . 22 220 3 TRP CH2 C 123.981 0.000 . 23 220 3 TRP N N 127.382 0.007 . 24 220 3 TRP NE1 N 134.048 0.073 . 25 221 4 SER H H 7.618 0.006 . 26 221 4 SER HA H 5.120 0.006 . 27 221 4 SER HB2 H 3.439 0.001 . 28 221 4 SER HB3 H 3.439 0.001 . 29 221 4 SER CA C 52.900 0.000 . 30 221 4 SER CB C 61.927 0.000 . 31 221 4 SER N N 122.792 0.033 . 32 222 5 GLY H H 6.147 0.001 . 33 222 5 GLY HA2 H 3.570 0.002 . 34 222 5 GLY HA3 H 3.067 0.005 . 35 222 5 GLY CA C 42.152 0.000 . 36 222 5 GLY N N 110.643 0.026 . 37 223 6 GLN H H 8.162 0.002 . 38 223 6 GLN HA H 4.341 0.004 . 39 223 6 GLN HB2 H 1.982 0.001 . 40 223 6 GLN HB3 H 1.856 0.007 . 41 223 6 GLN HG2 H 2.320 0.000 . 42 223 6 GLN HG3 H 2.320 0.000 . 43 223 6 GLN HE21 H 7.466 0.000 . 44 223 6 GLN HE22 H 6.744 0.003 . 45 223 6 GLN CA C 51.722 0.000 . 46 223 6 GLN CB C 27.535 0.000 . 47 223 6 GLN CG C 30.848 0.000 . 48 223 6 GLN N N 120.048 0.000 . 49 223 6 GLN NE2 N 112.776 0.000 . 50 224 7 LEU H H 8.665 0.002 . 51 224 7 LEU HA H 4.482 0.003 . 52 224 7 LEU HG H 1.905 0.003 . 53 224 7 LEU HD1 H 0.802 0.001 . 54 224 7 LEU HD2 H 0.996 0.003 . 55 224 7 LEU CA C 50.405 0.000 . 56 224 7 LEU CG C 23.840 0.000 . 57 224 7 LEU CD1 C 20.000 0.000 . 58 224 7 LEU CD2 C 22.892 0.000 . 59 224 7 LEU N N 125.262 0.004 . 60 226 9 PRO HA H 4.329 0.004 . 61 226 9 PRO HB2 H 2.239 0.007 . 62 226 9 PRO HB3 H 1.760 0.008 . 63 226 9 PRO CA C 59.760 0.000 . 64 226 9 PRO CB C 29.449 0.000 . 65 227 10 ARG H H 8.360 0.003 . 66 227 10 ARG HB2 H 1.701 0.004 . 67 227 10 ARG HB3 H 1.701 0.004 . 68 227 10 ARG HD2 H 3.277 0.001 . 69 227 10 ARG HD3 H 3.185 0.003 . 70 227 10 ARG CB C 27.382 0.000 . 71 227 10 ARG CD C 40.737 0.000 . 72 227 10 ARG N N 122.698 0.000 . 73 227 10 ARG NH1 N 87.486 0.000 . 74 228 11 ASN H H 8.079 0.005 . 75 228 11 ASN HB2 H 2.615 0.002 . 76 228 11 ASN HB3 H 2.479 0.000 . 77 228 11 ASN HD21 H 7.444 0.001 . 78 228 11 ASN HD22 H 6.689 0.000 . 79 228 11 ASN CB C 36.648 0.013 . 80 228 11 ASN N N 121.950 0.050 . 81 228 11 ASN ND2 N 112.960 0.027 . 82 229 12 TYR H H 8.097 0.001 . 83 229 12 TYR HD1 H 7.043 0.001 . 84 229 12 TYR HD2 H 7.043 0.001 . 85 229 12 TYR HE1 H 6.814 0.000 . 86 229 12 TYR HE2 H 6.814 0.000 . 87 229 12 TYR CD1 C 132.966 0.000 . 88 229 12 TYR CE1 C 118.599 0.000 . 89 229 12 TYR N N 122.445 0.000 . 90 232 15 PRO HA H 4.058 0.011 . 91 232 15 PRO CA C 60.250 0.000 . 92 233 16 ILE H H 7.155 0.005 . 93 233 16 ILE HA H 3.912 0.001 . 94 233 16 ILE HB H 1.579 0.009 . 95 233 16 ILE HG12 H 1.472 0.006 . 96 233 16 ILE HG13 H 1.088 0.007 . 97 233 16 ILE HG2 H 0.919 0.001 . 98 233 16 ILE HD1 H 0.797 0.000 . 99 233 16 ILE CA C 57.622 0.000 . 100 233 16 ILE CB C 36.481 0.000 . 101 233 16 ILE CG1 C 24.330 0.000 . 102 233 16 ILE CG2 C 14.699 0.000 . 103 233 16 ILE CD1 C 9.510 0.000 . 104 233 16 ILE N N 121.786 0.041 . 105 234 17 TYR H H 9.224 0.003 . 106 234 17 TYR HA H 5.236 0.002 . 107 234 17 TYR HD1 H 6.901 0.009 . 108 234 17 TYR HD2 H 6.901 0.009 . 109 234 17 TYR HE1 H 6.322 0.000 . 110 234 17 TYR HE2 H 6.322 0.000 . 111 234 17 TYR CA C 55.430 0.000 . 112 234 17 TYR CD1 C 133.134 0.000 . 113 234 17 TYR CE1 C 117.246 0.000 . 114 234 17 TYR N N 127.356 0.034 . 115 235 18 SER H H 8.877 0.003 . 116 235 18 SER N N 112.271 0.000 . 117 236 19 CYS H H 8.948 0.001 . 118 236 19 CYS HA H 4.248 0.015 . 119 236 19 CYS HB2 H 2.865 0.001 . 120 236 19 CYS HB3 H 2.865 0.001 . 121 236 19 CYS CA C 59.670 0.000 . 122 236 19 CYS CB C 25.062 0.000 . 123 236 19 CYS N N 124.858 0.009 . 124 237 20 LYS H H 8.363 0.004 . 125 237 20 LYS HA H 4.149 0.008 . 126 237 20 LYS CA C 52.165 0.000 . 127 237 20 LYS N N 123.248 0.000 . 128 238 21 VAL H H 9.080 0.004 . 129 238 21 VAL HG1 H 0.847 0.002 . 130 238 21 VAL HG2 H 0.711 0.000 . 131 238 21 VAL CG1 C 19.022 0.000 . 132 238 21 VAL CG2 C 18.665 0.000 . 133 238 21 VAL N N 124.132 0.032 . 134 239 22 PHE H H 7.575 0.001 . 135 239 22 PHE HD1 H 6.560 0.008 . 136 239 22 PHE HD2 H 6.560 0.008 . 137 239 22 PHE CD1 C 131.276 0.000 . 138 239 22 PHE N N 126.834 0.052 . 139 240 23 LEU H H 7.990 0.005 . 140 240 23 LEU HA H 5.082 0.001 . 141 240 23 LEU HB2 H 1.049 0.006 . 142 240 23 LEU HB3 H 0.962 0.010 . 143 240 23 LEU HD1 H 0.456 0.023 . 144 240 23 LEU CA C 49.530 0.000 . 145 240 23 LEU CB C 41.377 0.035 . 146 240 23 LEU CD1 C 22.200 0.800 . 147 240 23 LEU N N 128.660 0.045 . 148 241 24 GLY H H 8.998 0.002 . 149 241 24 GLY HA2 H 3.159 0.000 . 150 241 24 GLY HA3 H 3.159 0.000 . 151 241 24 GLY CA C 42.102 0.000 . 152 241 24 GLY N N 108.701 0.023 . 153 242 25 GLY H H 8.149 0.001 . 154 242 25 GLY N N 114.200 0.000 . 155 243 26 VAL H H 7.185 0.001 . 156 243 26 VAL HG1 H 0.766 0.006 . 157 243 26 VAL CG1 C 19.740 0.000 . 158 243 26 VAL N N 114.096 0.000 . 159 245 28 TRP H H 7.841 0.015 . 160 245 28 TRP HD1 H 7.265 0.001 . 161 245 28 TRP HE1 H 10.023 0.001 . 162 245 28 TRP HE3 H 7.426 0.000 . 163 245 28 TRP HZ2 H 7.351 0.002 . 164 245 28 TRP HZ3 H 7.040 0.006 . 165 245 28 TRP HH2 H 7.135 0.000 . 166 245 28 TRP CD1 C 127.073 0.000 . 167 245 28 TRP CE3 C 121.159 0.000 . 168 245 28 TRP CZ2 C 114.540 0.000 . 169 245 28 TRP CZ3 C 122.056 0.000 . 170 245 28 TRP CH2 C 124.725 0.000 . 171 245 28 TRP N N 122.000 0.000 . 172 245 28 TRP NE1 N 130.279 0.000 . 173 246 29 ASP H H 8.175 0.001 . 174 246 29 ASP N N 115.729 0.029 . 175 247 30 ILE H H 7.183 0.003 . 176 247 30 ILE HA H 4.173 0.002 . 177 247 30 ILE HG2 H 0.603 0.000 . 178 247 30 ILE HD1 H 0.877 0.004 . 179 247 30 ILE CA C 56.390 0.000 . 180 247 30 ILE CG2 C 15.866 0.000 . 181 247 30 ILE CD1 C 12.130 0.000 . 182 247 30 ILE N N 123.227 0.052 . 183 248 31 THR H H 7.081 0.002 . 184 248 31 THR HG2 H 1.261 0.005 . 185 248 31 THR CG2 C 18.788 0.000 . 186 248 31 THR N N 111.824 0.012 . 187 249 32 GLU H H 9.388 0.003 . 188 249 32 GLU N N 122.568 0.048 . 189 250 33 ALA H H 8.553 0.001 . 190 250 33 ALA HA H 4.114 0.002 . 191 250 33 ALA HB H 1.398 0.000 . 192 250 33 ALA CA C 52.160 0.000 . 193 250 33 ALA CB C 15.232 0.000 . 194 250 33 ALA N N 120.003 0.000 . 195 251 34 GLY H H 7.876 0.002 . 196 251 34 GLY N N 106.716 0.081 . 197 252 35 LEU H H 8.174 0.006 . 198 252 35 LEU HA H 4.080 0.001 . 199 252 35 LEU HB2 H 1.194 0.003 . 200 252 35 LEU HB3 H 1.194 0.003 . 201 252 35 LEU HD1 H 0.833 0.001 . 202 252 35 LEU HD2 H 1.037 0.006 . 203 252 35 LEU CA C 56.032 0.000 . 204 252 35 LEU CB C 39.480 0.000 . 205 252 35 LEU CD1 C 24.952 0.000 . 206 252 35 LEU CD2 C 20.487 0.000 . 207 252 35 LEU N N 124.802 0.001 . 208 253 36 VAL H H 8.880 0.006 . 209 253 36 VAL HA H 3.522 0.003 . 210 253 36 VAL HB H 2.106 0.000 . 211 253 36 VAL HG1 H 1.034 0.001 . 212 253 36 VAL HG2 H 0.963 0.002 . 213 253 36 VAL CA C 64.731 0.000 . 214 253 36 VAL CB C 28.747 0.000 . 215 253 36 VAL CG1 C 20.000 0.000 . 216 253 36 VAL CG2 C 18.405 0.000 . 217 253 36 VAL N N 121.300 0.000 . 218 254 37 ASN H H 8.499 0.002 . 219 254 37 ASN HA H 4.308 0.001 . 220 254 37 ASN HB2 H 2.894 0.003 . 221 254 37 ASN HB3 H 2.768 0.001 . 222 254 37 ASN HD21 H 7.450 0.002 . 223 254 37 ASN HD22 H 6.821 0.004 . 224 254 37 ASN CA C 53.290 0.000 . 225 254 37 ASN CB C 35.320 0.000 . 226 254 37 ASN N N 116.340 0.009 . 227 254 37 ASN ND2 N 112.776 0.000 . 228 255 38 THR H H 7.574 0.001 . 229 255 38 THR HA H 3.875 0.003 . 230 255 38 THR HB H 3.958 0.011 . 231 255 38 THR HG2 H 0.532 0.001 . 232 255 38 THR CA C 63.700 0.000 . 233 255 38 THR CB C 66.312 0.000 . 234 255 38 THR CG2 C 17.896 0.000 . 235 255 38 THR N N 115.397 0.000 . 236 256 39 PHE H H 7.699 0.004 . 237 256 39 PHE HA H 3.912 0.001 . 238 256 39 PHE HB2 H 3.417 0.001 . 239 256 39 PHE HB3 H 3.417 0.001 . 240 256 39 PHE HD1 H 7.332 0.004 . 241 256 39 PHE HD2 H 7.332 0.004 . 242 256 39 PHE HE1 H 6.464 0.001 . 243 256 39 PHE HE2 H 6.464 0.001 . 244 256 39 PHE CA C 57.800 0.000 . 245 256 39 PHE CB C 37.757 0.000 . 246 256 39 PHE CD2 C 131.534 0.000 . 247 256 39 PHE CE2 C 131.400 0.000 . 248 256 39 PHE N N 115.046 0.001 . 249 257 40 ARG H H 8.681 0.004 . 250 257 40 ARG HG2 H 2.006 0.003 . 251 257 40 ARG HG3 H 2.006 0.003 . 252 257 40 ARG HD2 H 3.127 0.000 . 253 257 40 ARG HD3 H 3.127 0.000 . 254 257 40 ARG CG C 25.750 0.000 . 255 257 40 ARG CD C 40.915 0.000 . 256 257 40 ARG N N 121.296 0.042 . 257 258 41 VAL H H 6.883 0.003 . 258 258 41 VAL HA H 3.845 0.004 . 259 258 41 VAL HB H 1.796 0.004 . 260 258 41 VAL HG1 H 0.425 0.001 . 261 258 41 VAL HG2 H 0.354 0.002 . 262 258 41 VAL CA C 60.390 0.000 . 263 258 41 VAL CB C 27.726 0.000 . 264 258 41 VAL CG1 C 16.956 0.000 . 265 258 41 VAL CG2 C 16.275 0.000 . 266 258 41 VAL N N 116.546 0.002 . 267 259 42 PHE H H 7.684 0.008 . 268 259 42 PHE HD1 H 7.426 0.031 . 269 259 42 PHE HD2 H 7.426 0.031 . 270 259 42 PHE CD1 C 131.345 0.000 . 271 259 42 PHE N N 119.602 0.046 . 272 260 43 GLY H H 7.697 0.001 . 273 260 43 GLY N N 110.406 0.000 . 274 261 44 SER H H 8.055 0.004 . 275 261 44 SER HA H 4.345 0.000 . 276 261 44 SER HB2 H 3.899 0.006 . 277 261 44 SER HB3 H 3.789 0.006 . 278 261 44 SER CA C 57.250 0.000 . 279 261 44 SER CB C 60.450 0.000 . 280 261 44 SER N N 113.212 0.052 . 281 262 45 LEU H H 8.198 0.003 . 282 262 45 LEU HD1 H 1.017 0.001 . 283 262 45 LEU HD2 H 0.407 0.001 . 284 262 45 LEU CD1 C 22.760 0.000 . 285 262 45 LEU CD2 C 26.368 0.000 . 286 262 45 LEU N N 123.927 0.012 . 287 263 46 SER H H 8.140 0.002 . 288 263 46 SER HB2 H 3.676 0.001 . 289 263 46 SER HB3 H 3.676 0.001 . 290 263 46 SER CB C 63.076 0.000 . 291 263 46 SER N N 114.000 0.000 . 292 264 47 VAL H H 8.553 0.002 . 293 264 47 VAL HB H 1.836 0.000 . 294 264 47 VAL HG1 H 0.845 0.001 . 295 264 47 VAL CB C 31.628 0.000 . 296 264 47 VAL CG1 C 18.940 0.000 . 297 264 47 VAL N N 120.126 0.022 . 298 265 48 GLU H H 8.861 0.005 . 299 265 48 GLU HA H 4.422 0.002 . 300 265 48 GLU HB2 H 1.974 0.000 . 301 265 48 GLU HB3 H 1.974 0.000 . 302 265 48 GLU CA C 51.700 0.000 . 303 265 48 GLU CB C 31.202 0.000 . 304 265 48 GLU N N 123.514 0.077 . 305 266 49 TRP HD1 H 7.214 0.004 . 306 266 49 TRP HE1 H 10.836 0.011 . 307 266 49 TRP HZ2 H 7.043 0.004 . 308 266 49 TRP HZ3 H 6.502 0.004 . 309 266 49 TRP HH2 H 6.923 0.007 . 310 266 49 TRP CD1 C 128.800 0.000 . 311 266 49 TRP CZ2 C 115.113 0.000 . 312 266 49 TRP CZ3 C 120.181 0.000 . 313 266 49 TRP CH2 C 123.834 0.000 . 314 266 49 TRP NE1 N 133.265 0.069 . 315 268 51 GLY H H 8.896 0.016 . 316 268 51 GLY N N 112.592 0.195 . 317 269 52 LYS H H 7.894 0.009 . 318 269 52 LYS N N 126.481 0.098 . 319 270 53 ASP H H 8.089 0.001 . 320 270 53 ASP N N 115.400 0.000 . 321 271 54 GLY H H 7.611 0.003 . 322 271 54 GLY N N 109.648 0.000 . 323 273 56 HIS H H 8.380 0.005 . 324 273 56 HIS HD2 H 7.128 0.000 . 325 273 56 HIS CD2 C 122.492 0.000 . 326 273 56 HIS N N 116.400 0.000 . 327 275 58 ARG H H 8.495 0.000 . 328 275 58 ARG N N 119.450 0.000 . 329 276 59 CYS H H 7.753 0.001 . 330 276 59 CYS N N 117.181 0.000 . 331 281 64 TYR H H 7.075 0.001 . 332 281 64 TYR HA H 5.293 0.001 . 333 281 64 TYR HD1 H 6.665 0.002 . 334 281 64 TYR HD2 H 6.665 0.002 . 335 281 64 TYR HE1 H 6.933 0.001 . 336 281 64 TYR HE2 H 6.933 0.001 . 337 281 64 TYR CA C 52.922 0.000 . 338 281 64 TYR CD1 C 133.369 0.000 . 339 281 64 TYR CE1 C 117.784 0.000 . 340 281 64 TYR N N 116.558 0.010 . 341 282 65 VAL H H 7.955 0.002 . 342 282 65 VAL HB H 2.251 0.007 . 343 282 65 VAL HG1 H 0.534 0.003 . 344 282 65 VAL HG2 H 0.621 0.003 . 345 282 65 VAL CB C 33.442 0.000 . 346 282 65 VAL CG1 C 18.048 0.000 . 347 282 65 VAL CG2 C 20.600 0.000 . 348 282 65 VAL N N 111.700 0.000 . 349 283 66 TYR H H 8.912 0.012 . 350 283 66 TYR HE1 H 6.806 0.000 . 351 283 66 TYR HE2 H 6.806 0.000 . 352 283 66 TYR CE1 C 116.900 0.000 . 353 283 66 TYR N N 116.199 0.000 . 354 284 67 LEU H H 8.668 0.002 . 355 284 67 LEU HA H 4.508 0.003 . 356 284 67 LEU HD1 H 0.266 0.002 . 357 284 67 LEU HD2 H -0.310 0.000 . 358 284 67 LEU CA C 49.870 0.000 . 359 284 67 LEU CD1 C 18.762 0.000 . 360 284 67 LEU CD2 C 21.930 0.000 . 361 284 67 LEU N N 120.900 0.000 . 362 285 68 VAL H H 8.575 0.002 . 363 285 68 VAL HA H 4.139 0.005 . 364 285 68 VAL HB H 1.707 0.001 . 365 285 68 VAL HG1 H 0.051 0.000 . 366 285 68 VAL HG2 H 0.205 0.000 . 367 285 68 VAL CA C 58.218 0.000 . 368 285 68 VAL CB C 28.092 0.000 . 369 285 68 VAL CG1 C 17.914 0.000 . 370 285 68 VAL CG2 C 16.367 0.000 . 371 285 68 VAL N N 122.632 0.035 . 372 286 69 PHE H H 8.610 0.004 . 373 286 69 PHE HA H 4.171 0.000 . 374 286 69 PHE HE1 H 6.913 0.000 . 375 286 69 PHE HE2 H 6.913 0.000 . 376 286 69 PHE CA C 56.000 0.000 . 377 286 69 PHE CE2 C 129.672 0.000 . 378 286 69 PHE N N 128.106 0.030 . 379 287 70 GLU H H 7.854 0.001 . 380 287 70 GLU HA H 4.090 0.002 . 381 287 70 GLU HG2 H 2.219 0.015 . 382 287 70 GLU HG3 H 2.179 0.001 . 383 287 70 GLU CA C 56.142 0.000 . 384 287 70 GLU CG C 34.055 0.000 . 385 287 70 GLU N N 119.800 0.000 . 386 288 71 LEU H H 8.291 0.005 . 387 288 71 LEU HA H 4.818 0.006 . 388 288 71 LEU HB2 H 1.826 0.001 . 389 288 71 LEU HB3 H 1.696 0.001 . 390 288 71 LEU HD1 H 1.013 0.006 . 391 288 71 LEU HD2 H 0.998 0.006 . 392 288 71 LEU CA C 50.210 0.000 . 393 288 71 LEU CB C 42.609 0.000 . 394 288 71 LEU CD1 C 20.198 0.000 . 395 288 71 LEU CD2 C 22.748 0.000 . 396 288 71 LEU N N 116.900 0.000 . 397 289 72 GLU H H 8.656 0.002 . 398 289 72 GLU HG2 H 2.939 0.005 . 399 289 72 GLU HG3 H 2.441 0.010 . 400 289 72 GLU CG C 32.901 0.062 . 401 289 72 GLU N N 126.644 0.004 . 402 290 73 LYS H H 8.275 0.002 . 403 290 73 LYS HA H 3.893 0.003 . 404 290 73 LYS HB2 H 1.965 0.002 . 405 290 73 LYS HB3 H 1.853 0.018 . 406 290 73 LYS HG2 H 1.476 0.020 . 407 290 73 LYS HG3 H 1.423 0.000 . 408 290 73 LYS HD2 H 1.706 0.002 . 409 290 73 LYS HD3 H 1.706 0.002 . 410 290 73 LYS HE2 H 2.992 0.003 . 411 290 73 LYS HE3 H 2.992 0.003 . 412 290 73 LYS CA C 56.357 0.000 . 413 290 73 LYS CB C 28.819 0.000 . 414 290 73 LYS CG C 21.220 0.000 . 415 290 73 LYS CD C 26.805 0.000 . 416 290 73 LYS CE C 39.282 0.000 . 417 290 73 LYS N N 117.548 0.000 . 418 291 74 SER H H 7.528 0.000 . 419 291 74 SER HA H 4.131 0.003 . 420 291 74 SER HB2 H 4.123 0.005 . 421 291 74 SER HB3 H 4.046 0.006 . 422 291 74 SER CA C 58.695 0.000 . 423 291 74 SER CB C 59.914 0.000 . 424 291 74 SER N N 116.897 0.000 . 425 292 75 VAL H H 7.042 0.005 . 426 292 75 VAL HA H 2.700 0.004 . 427 292 75 VAL HB H 2.051 0.003 . 428 292 75 VAL HG1 H 0.347 0.003 . 429 292 75 VAL HG2 H 1.026 0.005 . 430 292 75 VAL CA C 63.529 0.000 . 431 292 75 VAL CB C 28.669 0.000 . 432 292 75 VAL CG1 C 17.280 0.000 . 433 292 75 VAL CG2 C 19.900 0.000 . 434 292 75 VAL N N 121.084 0.010 . 435 293 76 ARG H H 6.876 0.005 . 436 293 76 ARG HA H 3.499 0.000 . 437 293 76 ARG HG2 H 1.836 0.006 . 438 293 76 ARG HG3 H 1.836 0.006 . 439 293 76 ARG HD2 H 3.170 0.002 . 440 293 76 ARG HD3 H 3.170 0.002 . 441 293 76 ARG CA C 56.970 0.000 . 442 293 76 ARG CG C 26.710 0.000 . 443 293 76 ARG CD C 40.700 0.000 . 444 293 76 ARG N N 116.900 0.000 . 445 294 77 SER H H 7.923 0.001 . 446 294 77 SER HA H 4.063 0.033 . 447 294 77 SER HB2 H 4.130 0.006 . 448 294 77 SER HB3 H 4.039 0.007 . 449 294 77 SER CA C 59.337 0.000 . 450 294 77 SER CB C 59.642 0.000 . 451 294 77 SER N N 116.148 0.000 . 452 295 78 LEU H H 7.576 0.006 . 453 295 78 LEU HA H 2.742 0.001 . 454 295 78 LEU HD1 H 0.197 0.001 . 455 295 78 LEU HD2 H 0.429 0.000 . 456 295 78 LEU CA C 54.698 0.000 . 457 295 78 LEU CD1 C 20.521 0.000 . 458 295 78 LEU CD2 C 23.882 0.000 . 459 295 78 LEU N N 125.448 0.000 . 460 296 79 LEU H H 7.953 0.007 . 461 296 79 LEU HA H 3.675 0.002 . 462 296 79 LEU HB2 H 0.855 0.001 . 463 296 79 LEU HB3 H 0.855 0.001 . 464 296 79 LEU HD1 H -0.413 0.002 . 465 296 79 LEU HD2 H -0.087 0.001 . 466 296 79 LEU CA C 55.348 0.000 . 467 296 79 LEU CB C 37.108 0.000 . 468 296 79 LEU CD1 C 16.930 0.000 . 469 296 79 LEU CD2 C 22.032 0.000 . 470 296 79 LEU N N 118.225 0.000 . 471 297 80 GLN H H 7.536 0.002 . 472 297 80 GLN HA H 4.134 0.000 . 473 297 80 GLN HB2 H 2.221 0.000 . 474 297 80 GLN HB3 H 2.221 0.000 . 475 297 80 GLN HG2 H 2.574 0.017 . 476 297 80 GLN HG3 H 2.518 0.001 . 477 297 80 GLN CA C 55.191 0.000 . 478 297 80 GLN CB C 25.770 0.000 . 479 297 80 GLN CG C 31.446 0.005 . 480 297 80 GLN N N 117.315 0.025 . 481 298 81 ALA H H 7.551 0.004 . 482 298 81 ALA HB H 1.894 0.000 . 483 298 81 ALA CB C 17.410 0.000 . 484 298 81 ALA N N 121.536 0.024 . 485 299 82 CYS H H 7.363 0.005 . 486 299 82 CYS HA H 4.925 0.002 . 487 299 82 CYS CA C 58.130 0.000 . 488 299 82 CYS N N 117.653 0.040 . 489 300 83 SER H H 9.465 0.005 . 490 300 83 SER HB2 H 3.982 0.001 . 491 300 83 SER HB3 H 3.982 0.001 . 492 300 83 SER CB C 61.684 0.000 . 493 300 83 SER N N 117.954 0.006 . 494 301 84 HIS H H 8.473 0.003 . 495 301 84 HIS HA H 5.190 0.002 . 496 301 84 HIS HB2 H 3.205 0.003 . 497 301 84 HIS HB3 H 3.035 0.002 . 498 301 84 HIS HD2 H 6.992 0.001 . 499 301 84 HIS HE1 H 8.079 0.005 . 500 301 84 HIS CA C 51.525 0.000 . 501 301 84 HIS CB C 28.152 0.000 . 502 301 84 HIS CD2 C 121.200 0.000 . 503 301 84 HIS CE1 C 136.800 0.000 . 504 301 84 HIS N N 121.011 0.133 . 505 302 85 ASP H H 8.563 0.001 . 506 302 85 ASP HA H 4.946 0.001 . 507 302 85 ASP CA C 48.400 0.000 . 508 302 85 ASP N N 125.100 0.000 . 509 303 86 PRO HA H 4.367 0.005 . 510 303 86 PRO HB2 H 2.325 0.003 . 511 303 86 PRO HB3 H 2.247 0.004 . 512 303 86 PRO HG2 H 2.006 0.005 . 513 303 86 PRO HG3 H 1.926 0.009 . 514 303 86 PRO HD2 H 3.883 0.005 . 515 303 86 PRO HD3 H 3.827 0.000 . 516 303 86 PRO CA C 60.848 0.000 . 517 303 86 PRO CB C 29.155 0.000 . 518 303 86 PRO CG C 24.394 0.041 . 519 303 86 PRO CD C 47.948 0.000 . 520 304 87 LEU H H 8.175 0.002 . 521 304 87 LEU HA H 4.338 0.002 . 522 304 87 LEU HB2 H 1.716 0.000 . 523 304 87 LEU HB3 H 1.573 0.017 . 524 304 87 LEU HD1 H 0.885 0.002 . 525 304 87 LEU CA C 51.870 0.000 . 526 304 87 LEU CB C 38.919 0.020 . 527 304 87 LEU CD1 C 22.152 0.000 . 528 304 87 LEU N N 120.422 0.026 . 529 305 88 SER H H 7.623 0.001 . 530 305 88 SER HA H 4.715 0.001 . 531 305 88 SER HB2 H 3.966 0.012 . 532 305 88 SER HB3 H 3.817 0.001 . 533 305 88 SER CA C 53.348 0.000 . 534 305 88 SER CB C 60.952 0.000 . 535 305 88 SER N N 117.246 0.000 . 536 306 89 PRO HA H 4.383 0.000 . 537 306 89 PRO CA C 61.600 0.000 . 538 307 90 ASP H H 8.037 0.003 . 539 307 90 ASP HB2 H 2.709 0.002 . 540 307 90 ASP HB3 H 2.571 0.010 . 541 307 90 ASP CB C 38.085 0.005 . 542 307 90 ASP N N 117.600 0.000 . 543 308 91 GLY H H 8.048 0.001 . 544 308 91 GLY HA2 H 4.164 0.001 . 545 308 91 GLY HA3 H 3.866 0.002 . 546 308 91 GLY CA C 43.457 0.000 . 547 308 91 GLY N N 108.884 0.022 . 548 309 92 LEU H H 7.784 0.000 . 549 309 92 LEU HA H 4.274 0.012 . 550 309 92 LEU HB2 H 1.636 0.002 . 551 309 92 LEU HB3 H 1.554 0.011 . 552 309 92 LEU HG H 1.561 0.004 . 553 309 92 LEU HD1 H 0.811 0.001 . 554 309 92 LEU CA C 52.332 0.000 . 555 309 92 LEU CB C 39.307 0.000 . 556 309 92 LEU CG C 24.152 0.000 . 557 309 92 LEU CD1 C 20.730 0.000 . 558 309 92 LEU N N 121.171 0.000 . 559 310 93 SER H H 8.113 0.001 . 560 310 93 SER HB2 H 3.838 0.000 . 561 310 93 SER HB3 H 3.838 0.000 . 562 310 93 SER CB C 61.110 0.000 . 563 310 93 SER N N 116.539 0.000 . 564 311 94 GLU H H 8.009 0.001 . 565 311 94 GLU HB2 H 1.893 0.001 . 566 311 94 GLU HB3 H 1.833 0.002 . 567 311 94 GLU CB C 29.670 0.000 . 568 311 94 GLU N N 122.500 0.000 . 569 312 95 TYR H H 8.748 0.006 . 570 312 95 TYR HB2 H 2.689 0.003 . 571 312 95 TYR HB3 H 2.689 0.003 . 572 312 95 TYR HD1 H 7.029 0.002 . 573 312 95 TYR HD2 H 7.029 0.002 . 574 312 95 TYR HE1 H 6.579 0.002 . 575 312 95 TYR HE2 H 6.579 0.002 . 576 312 95 TYR CB C 37.665 0.000 . 577 312 95 TYR CD2 C 133.603 0.000 . 578 312 95 TYR CE2 C 118.058 0.000 . 579 312 95 TYR N N 123.100 0.000 . 580 313 96 TYR H H 8.811 0.001 . 581 313 96 TYR HA H 5.123 0.003 . 582 313 96 TYR HD1 H 6.897 0.003 . 583 313 96 TYR HD2 H 6.897 0.003 . 584 313 96 TYR HE1 H 6.586 0.005 . 585 313 96 TYR HE2 H 6.586 0.005 . 586 313 96 TYR CA C 54.449 0.000 . 587 313 96 TYR CD2 C 132.400 0.000 . 588 313 96 TYR CE2 C 117.766 0.000 . 589 313 96 TYR N N 119.730 0.000 . 590 314 97 PHE H H 9.727 0.006 . 591 314 97 PHE HA H 5.620 0.001 . 592 314 97 PHE HD1 H 6.869 0.009 . 593 314 97 PHE HD2 H 6.869 0.009 . 594 314 97 PHE HE1 H 7.083 0.017 . 595 314 97 PHE HE2 H 7.083 0.017 . 596 314 97 PHE CA C 54.201 0.000 . 597 314 97 PHE CD2 C 128.600 0.000 . 598 314 97 PHE CE2 C 131.100 0.000 . 599 314 97 PHE N N 126.002 0.007 . 600 315 98 LYS H H 7.469 0.004 . 601 315 98 LYS HA H 4.969 0.024 . 602 315 98 LYS HB2 H 1.516 0.000 . 603 315 98 LYS HB3 H 1.421 0.005 . 604 315 98 LYS CA C 54.109 0.000 . 605 315 98 LYS CB C 30.222 0.000 . 606 315 98 LYS N N 127.309 0.001 . 607 316 99 MET H H 8.817 0.006 . 608 316 99 MET HB2 H 2.117 0.004 . 609 316 99 MET HB3 H 2.117 0.004 . 610 316 99 MET HE H 2.094 0.003 . 611 316 99 MET CB C 33.995 0.000 . 612 316 99 MET CE C 14.452 0.000 . 613 316 99 MET N N 121.800 0.000 . 614 317 100 SER H H 8.276 0.000 . 615 317 100 SER HB2 H 3.859 0.001 . 616 317 100 SER HB3 H 3.747 0.011 . 617 317 100 SER CB C 63.152 0.000 . 618 317 100 SER N N 115.618 0.000 . 619 318 101 SER H H 8.840 0.005 . 620 318 101 SER N N 119.200 0.000 . 621 320 103 ARG H H 8.697 0.029 . 622 320 103 ARG HG2 H 1.465 0.002 . 623 320 103 ARG HG3 H 1.465 0.002 . 624 320 103 ARG CG C 23.600 0.000 . 625 320 103 ARG N N 116.202 0.109 . 626 321 104 MET H H 7.721 0.006 . 627 321 104 MET HE H 2.016 0.001 . 628 321 104 MET CE C 14.644 0.000 . 629 321 104 MET N N 119.706 0.105 . 630 322 105 ARG H H 8.328 0.012 . 631 322 105 ARG N N 123.600 0.000 . 632 323 106 CYS H H 8.367 0.003 . 633 323 106 CYS HB2 H 2.775 0.001 . 634 323 106 CYS HB3 H 2.775 0.001 . 635 323 106 CYS CB C 24.335 0.000 . 636 323 106 CYS N N 119.548 0.000 . 637 324 107 LYS H H 8.793 0.004 . 638 324 107 LYS N N 126.978 0.039 . 639 325 108 GLU H H 8.719 0.003 . 640 325 108 GLU HB2 H 1.928 0.001 . 641 325 108 GLU HB3 H 1.928 0.001 . 642 325 108 GLU HG2 H 2.186 0.005 . 643 325 108 GLU HG3 H 2.127 0.000 . 644 325 108 GLU CB C 27.389 0.000 . 645 325 108 GLU CG C 34.152 0.000 . 646 325 108 GLU N N 127.285 0.018 . 647 326 109 VAL H H 9.116 0.004 . 648 326 109 VAL HB H 2.175 0.004 . 649 326 109 VAL HG1 H 1.050 0.000 . 650 326 109 VAL CB C 30.757 0.000 . 651 326 109 VAL CG1 C 18.340 0.000 . 652 326 109 VAL N N 125.033 0.000 . 653 327 110 GLN H H 9.029 0.004 . 654 327 110 GLN HE21 H 8.036 0.007 . 655 327 110 GLN HE22 H 6.895 0.001 . 656 327 110 GLN N N 127.269 0.028 . 657 327 110 GLN NE2 N 109.656 0.000 . 658 328 111 VAL H H 8.508 0.002 . 659 328 111 VAL HG1 H 0.728 0.006 . 660 328 111 VAL HG2 H 0.406 0.002 . 661 328 111 VAL CG1 C 18.390 0.000 . 662 328 111 VAL CG2 C 18.342 0.000 . 663 328 111 VAL N N 129.617 0.020 . 664 329 112 ILE H H 9.663 0.012 . 665 329 112 ILE HG2 H 1.244 0.001 . 666 329 112 ILE HD1 H 1.039 0.001 . 667 329 112 ILE CG2 C 15.208 0.000 . 668 329 112 ILE CD1 C 10.362 0.000 . 669 329 112 ILE N N 128.097 0.026 . 670 331 114 TRP H H 10.482 0.004 . 671 331 114 TRP HA H 5.046 0.004 . 672 331 114 TRP HD1 H 7.078 0.016 . 673 331 114 TRP HE1 H 9.647 0.002 . 674 331 114 TRP HZ2 H 6.778 0.008 . 675 331 114 TRP HZ3 H 7.701 0.010 . 676 331 114 TRP CA C 53.750 0.000 . 677 331 114 TRP CD1 C 127.334 0.000 . 678 331 114 TRP CZ2 C 113.700 0.000 . 679 331 114 TRP CZ3 C 121.339 0.000 . 680 331 114 TRP N N 123.064 0.019 . 681 331 114 TRP NE1 N 129.592 0.069 . 682 332 115 VAL H H 8.063 0.004 . 683 332 115 VAL HB H 1.466 0.002 . 684 332 115 VAL HG1 H 0.309 0.008 . 685 332 115 VAL CB C 29.625 0.000 . 686 332 115 VAL CG1 C 18.680 0.000 . 687 332 115 VAL N N 129.373 0.001 . 688 333 116 LEU H H 8.566 0.001 . 689 333 116 LEU HA H 4.261 0.007 . 690 333 116 LEU HB2 H 1.539 0.008 . 691 333 116 LEU HB3 H 1.042 0.001 . 692 333 116 LEU HD1 H 0.364 0.019 . 693 333 116 LEU HD2 H 0.927 0.002 . 694 333 116 LEU CA C 55.470 0.000 . 695 333 116 LEU CB C 37.775 0.025 . 696 333 116 LEU CD1 C 19.322 0.000 . 697 333 116 LEU CD2 C 22.732 0.000 . 698 333 116 LEU N N 125.700 0.000 . 699 334 117 ALA H H 7.826 0.006 . 700 334 117 ALA HA H 4.200 0.006 . 701 334 117 ALA HB H 1.329 0.002 . 702 334 117 ALA CA C 51.110 0.000 . 703 334 117 ALA CB C 16.167 0.000 . 704 334 117 ALA N N 120.005 0.043 . 705 335 118 ASP H H 7.861 0.009 . 706 335 118 ASP HA H 4.846 0.007 . 707 335 118 ASP CA C 52.488 0.000 . 708 335 118 ASP N N 117.195 0.008 . 709 336 119 SER H H 7.853 0.008 . 710 336 119 SER N N 113.040 0.000 . 711 337 120 ASN H H 7.525 0.002 . 712 337 120 ASN HA H 5.330 0.002 . 713 337 120 ASN HB2 H 2.685 0.001 . 714 337 120 ASN HB3 H 2.685 0.001 . 715 337 120 ASN CA C 50.805 0.000 . 716 337 120 ASN CB C 41.407 0.000 . 717 337 120 ASN N N 118.343 0.011 . 718 338 121 PHE H H 8.724 0.006 . 719 338 121 PHE HD1 H 6.915 0.000 . 720 338 121 PHE HD2 H 6.915 0.000 . 721 338 121 PHE HE1 H 7.082 0.004 . 722 338 121 PHE HE2 H 7.082 0.004 . 723 338 121 PHE CD2 C 131.334 0.000 . 724 338 121 PHE CE2 C 131.466 0.000 . 725 338 121 PHE N N 122.448 0.000 . 726 339 122 VAL H H 7.794 0.005 . 727 339 122 VAL HA H 4.195 0.003 . 728 339 122 VAL HB H 1.855 0.001 . 729 339 122 VAL HG1 H 0.924 0.002 . 730 339 122 VAL HG2 H 0.776 0.000 . 731 339 122 VAL CA C 57.661 0.000 . 732 339 122 VAL CB C 30.345 0.000 . 733 339 122 VAL CG1 C 17.900 0.000 . 734 339 122 VAL CG2 C 18.412 0.000 . 735 339 122 VAL N N 126.881 0.031 . 736 340 123 ARG H H 7.833 0.004 . 737 340 123 ARG HA H 3.899 0.002 . 738 340 123 ARG HB2 H 1.517 0.005 . 739 340 123 ARG HB3 H 1.517 0.005 . 740 340 123 ARG HG2 H 1.665 0.008 . 741 340 123 ARG HG3 H 1.510 0.004 . 742 340 123 ARG HD2 H 3.184 0.001 . 743 340 123 ARG HD3 H 3.132 0.003 . 744 340 123 ARG CA C 54.569 0.000 . 745 340 123 ARG CB C 28.289 0.000 . 746 340 123 ARG CG C 25.022 0.000 . 747 340 123 ARG CD C 39.790 0.000 . 748 340 123 ARG N N 126.400 0.001 . 749 341 124 SER H H 7.537 0.005 . 750 341 124 SER HA H 4.907 0.000 . 751 341 124 SER HB2 H 3.749 0.009 . 752 341 124 SER HB3 H 3.749 0.009 . 753 341 124 SER CA C 52.023 0.000 . 754 341 124 SER CB C 61.610 0.000 . 755 341 124 SER N N 112.478 0.029 . 756 345 128 ARG H H 8.180 0.003 . 757 345 128 ARG N N 122.576 0.024 . 758 346 129 LEU H H 8.411 0.001 . 759 346 129 LEU HD1 H 0.324 0.002 . 760 346 129 LEU HD2 H 0.482 0.000 . 761 346 129 LEU CD1 C 22.052 0.000 . 762 346 129 LEU CD2 C 20.978 0.000 . 763 346 129 LEU N N 126.176 0.024 . 764 347 130 ASP H H 7.634 0.001 . 765 347 130 ASP HB2 H 2.739 0.004 . 766 347 130 ASP HB3 H 2.401 0.001 . 767 347 130 ASP CB C 39.757 0.000 . 768 347 130 ASP N N 124.937 0.000 . 769 348 131 PRO HA H 4.120 0.002 . 770 348 131 PRO CA C 62.360 0.000 . 771 349 132 SER H H 8.389 0.003 . 772 349 132 SER N N 113.720 0.033 . 773 350 133 ARG H H 7.306 0.005 . 774 350 133 ARG HA H 3.772 0.006 . 775 350 133 ARG HG2 H 1.425 0.015 . 776 350 133 ARG HG3 H 1.094 0.001 . 777 350 133 ARG CA C 51.939 0.000 . 778 350 133 ARG CG C 25.140 0.000 . 779 350 133 ARG N N 120.114 0.029 . 780 351 134 THR H H 7.276 0.008 . 781 351 134 THR HA H 5.619 0.002 . 782 351 134 THR HB H 4.094 0.002 . 783 351 134 THR CA C 58.642 0.000 . 784 351 134 THR CB C 67.600 0.000 . 785 351 134 THR N N 118.442 0.000 . 786 352 135 VAL H H 9.495 0.003 . 787 352 135 VAL HA H 5.175 0.010 . 788 352 135 VAL HG2 H 0.887 0.001 . 789 352 135 VAL CA C 55.892 0.000 . 790 352 135 VAL CG2 C 16.000 0.000 . 791 352 135 VAL N N 118.248 0.000 . 792 353 136 PHE H H 9.381 0.005 . 793 353 136 PHE HD1 H 7.260 0.029 . 794 353 136 PHE HD2 H 7.260 0.029 . 795 353 136 PHE HE1 H 6.758 0.004 . 796 353 136 PHE HE2 H 6.758 0.004 . 797 353 136 PHE CD1 C 130.034 0.000 . 798 353 136 PHE CE1 C 129.906 0.000 . 799 353 136 PHE N N 124.616 0.014 . 800 354 137 VAL HA H 5.104 0.011 . 801 354 137 VAL HG1 H 0.673 0.006 . 802 354 137 VAL CA C 56.543 0.000 . 803 354 137 VAL CG1 C 18.522 0.000 . 804 355 138 GLY H H 9.012 0.003 . 805 355 138 GLY HA2 H 3.579 0.006 . 806 355 138 GLY HA3 H 3.579 0.006 . 807 355 138 GLY CA C 40.406 0.000 . 808 355 138 GLY N N 112.710 0.008 . 809 356 139 ALA H H 7.998 0.002 . 810 356 139 ALA HA H 3.959 0.001 . 811 356 139 ALA HB H 1.451 0.000 . 812 356 139 ALA CA C 49.400 0.000 . 813 356 139 ALA CB C 14.300 0.000 . 814 356 139 ALA N N 119.300 0.000 . 815 357 140 LEU H H 7.962 0.014 . 816 357 140 LEU HG H 1.218 0.004 . 817 357 140 LEU HD1 H 0.432 0.005 . 818 357 140 LEU CG C 24.152 0.000 . 819 357 140 LEU CD1 C 22.580 0.000 . 820 357 140 LEU N N 114.800 0.000 . 821 358 141 HIS HE1 H 7.122 0.008 . 822 358 141 HIS CE1 C 137.564 0.000 . 823 359 142 GLY H H 7.556 0.004 . 824 359 142 GLY N N 114.952 0.000 . 825 360 143 MET H H 9.692 0.005 . 826 360 143 MET HA H 4.337 0.004 . 827 360 143 MET HB2 H 1.987 0.001 . 828 360 143 MET HB3 H 1.837 0.001 . 829 360 143 MET HG2 H 2.547 0.002 . 830 360 143 MET HG3 H 2.510 0.000 . 831 360 143 MET HE H 2.171 0.000 . 832 360 143 MET CA C 53.752 0.000 . 833 360 143 MET CB C 30.409 0.000 . 834 360 143 MET CG C 30.994 0.000 . 835 360 143 MET CE C 14.382 0.000 . 836 360 143 MET N N 119.359 0.000 . 837 361 144 LEU H H 7.633 0.002 . 838 361 144 LEU HB2 H 1.932 0.001 . 839 361 144 LEU HB3 H 1.932 0.001 . 840 361 144 LEU HD1 H 0.839 0.005 . 841 361 144 LEU HD2 H 0.791 0.001 . 842 361 144 LEU CB C 39.539 0.000 . 843 361 144 LEU CD1 C 23.800 0.000 . 844 361 144 LEU CD2 C 22.175 0.000 . 845 361 144 LEU N N 119.186 0.044 . 846 362 145 ASN H H 7.218 0.007 . 847 362 145 ASN N N 117.597 0.006 . 848 363 146 ALA H H 8.429 0.001 . 849 363 146 ALA HB H 1.095 0.003 . 850 363 146 ALA CB C 14.887 0.000 . 851 363 146 ALA N N 122.151 0.000 . 852 364 147 GLU H H 8.265 0.004 . 853 364 147 GLU HA H 2.838 0.011 . 854 364 147 GLU CA C 56.330 0.000 . 855 364 147 GLU N N 119.550 0.047 . 856 365 148 ALA H H 7.903 0.002 . 857 365 148 ALA HA H 3.615 0.001 . 858 365 148 ALA HB H 1.501 0.002 . 859 365 148 ALA CA C 52.070 0.000 . 860 365 148 ALA CB C 16.505 0.000 . 861 365 148 ALA N N 121.100 0.000 . 862 366 149 LEU H H 7.925 0.003 . 863 366 149 LEU HA H 3.612 0.002 . 864 366 149 LEU HD1 H 0.524 0.001 . 865 366 149 LEU HD2 H 0.633 0.004 . 866 366 149 LEU CA C 54.908 0.000 . 867 366 149 LEU CD1 C 22.620 0.000 . 868 366 149 LEU CD2 C 19.800 0.000 . 869 366 149 LEU N N 118.209 0.000 . 870 367 150 ALA H H 8.063 0.009 . 871 367 150 ALA HA H 3.609 0.005 . 872 367 150 ALA HB H 1.091 0.002 . 873 367 150 ALA CA C 52.150 0.000 . 874 367 150 ALA CB C 15.657 0.000 . 875 367 150 ALA N N 117.850 0.050 . 876 368 151 ALA H H 7.859 0.003 . 877 368 151 ALA HA H 3.794 0.000 . 878 368 151 ALA HB H 1.351 0.002 . 879 368 151 ALA CA C 52.158 0.000 . 880 368 151 ALA CB C 14.928 0.000 . 881 368 151 ALA N N 121.249 0.001 . 882 369 152 ILE H H 7.882 0.006 . 883 369 152 ILE HA H 2.418 0.001 . 884 369 152 ILE HB H 1.083 0.002 . 885 369 152 ILE HG2 H 0.009 0.005 . 886 369 152 ILE HD1 H 0.049 0.003 . 887 369 152 ILE CA C 61.692 0.000 . 888 369 152 ILE CB C 35.390 0.000 . 889 369 152 ILE CG2 C 12.120 0.000 . 890 369 152 ILE CD1 C 11.966 0.000 . 891 369 152 ILE N N 119.144 0.045 . 892 370 153 LEU H H 7.531 0.004 . 893 370 153 LEU HA H 4.026 0.005 . 894 370 153 LEU HD1 H 0.866 0.003 . 895 370 153 LEU HD2 H 0.889 0.004 . 896 370 153 LEU CA C 56.252 0.000 . 897 370 153 LEU CD1 C 22.000 0.000 . 898 370 153 LEU CD2 C 21.242 0.000 . 899 370 153 LEU N N 116.000 0.000 . 900 371 154 ASN H H 8.794 0.000 . 901 371 154 ASN HA H 4.272 0.004 . 902 371 154 ASN CA C 54.920 0.000 . 903 371 154 ASN N N 121.900 0.000 . 904 372 155 ASP H H 8.433 0.004 . 905 372 155 ASP HA H 4.380 0.005 . 906 372 155 ASP CA C 54.500 0.000 . 907 372 155 ASP N N 122.226 0.026 . 908 373 156 LEU H H 7.160 0.004 . 909 373 156 LEU HA H 3.952 0.000 . 910 373 156 LEU HB2 H 0.014 0.009 . 911 373 156 LEU HB3 H 0.014 0.009 . 912 373 156 LEU HD1 H 0.842 0.003 . 913 373 156 LEU HD2 H 0.602 0.001 . 914 373 156 LEU CA C 54.000 0.000 . 915 373 156 LEU CB C 39.214 0.000 . 916 373 156 LEU CD1 C 19.500 0.000 . 917 373 156 LEU CD2 C 24.779 0.000 . 918 373 156 LEU N N 116.136 0.001 . 919 374 157 PHE H H 8.226 0.004 . 920 374 157 PHE HA H 4.925 0.009 . 921 374 157 PHE HD1 H 7.217 0.006 . 922 374 157 PHE HD2 H 7.217 0.006 . 923 374 157 PHE CA C 54.500 0.000 . 924 374 157 PHE CD2 C 130.142 0.000 . 925 374 157 PHE N N 115.300 0.000 . 926 375 158 GLY H H 8.214 0.002 . 927 375 158 GLY HA2 H 4.289 0.007 . 928 375 158 GLY HA3 H 4.046 0.002 . 929 375 158 GLY CA C 41.450 0.000 . 930 375 158 GLY N N 111.513 0.009 . 931 376 159 GLY H H 7.809 0.000 . 932 376 159 GLY HA2 H 3.905 0.006 . 933 376 159 GLY HA3 H 3.905 0.006 . 934 376 159 GLY CA C 44.427 0.000 . 935 376 159 GLY N N 99.931 0.000 . 936 377 160 VAL H H 8.179 0.004 . 937 377 160 VAL HA H 3.697 0.002 . 938 377 160 VAL HB H 1.754 0.005 . 939 377 160 VAL HG1 H 0.700 0.002 . 940 377 160 VAL CA C 62.352 0.000 . 941 377 160 VAL CB C 28.975 0.000 . 942 377 160 VAL CG1 C 19.302 0.000 . 943 377 160 VAL N N 120.948 0.000 . 944 378 161 VAL H H 8.721 0.001 . 945 378 161 VAL HG1 H 0.943 0.000 . 946 378 161 VAL HG2 H 0.750 0.005 . 947 378 161 VAL CG1 C 19.994 0.000 . 948 378 161 VAL CG2 C 16.448 0.000 . 949 378 161 VAL N N 120.500 0.000 . 950 379 162 TYR H H 7.413 0.001 . 951 379 162 TYR HA H 5.329 0.002 . 952 379 162 TYR HD1 H 6.841 0.001 . 953 379 162 TYR HD2 H 6.841 0.001 . 954 379 162 TYR HE1 H 6.497 0.001 . 955 379 162 TYR HE2 H 6.497 0.001 . 956 379 162 TYR CA C 54.013 0.000 . 957 379 162 TYR CD2 C 133.203 0.000 . 958 379 162 TYR CE2 C 117.910 0.000 . 959 379 162 TYR N N 123.515 0.012 . 960 380 163 ALA H H 8.189 0.000 . 961 380 163 ALA HA H 4.854 0.004 . 962 380 163 ALA HB H 1.160 0.001 . 963 380 163 ALA CA C 47.930 0.000 . 964 380 163 ALA CB C 21.496 0.000 . 965 380 163 ALA N N 129.080 0.000 . 966 381 164 GLY H H 8.743 0.003 . 967 381 164 GLY HA2 H 3.664 0.025 . 968 381 164 GLY HA3 H 3.664 0.025 . 969 381 164 GLY CA C 41.262 0.000 . 970 381 164 GLY N N 108.093 0.045 . 971 382 165 ILE H H 8.726 0.004 . 972 382 165 ILE HG12 H 1.266 0.017 . 973 382 165 ILE HG13 H 1.266 0.017 . 974 382 165 ILE HG2 H 0.887 0.006 . 975 382 165 ILE HD1 H 0.534 0.000 . 976 382 165 ILE CG1 C 25.100 0.000 . 977 382 165 ILE CG2 C 14.570 0.000 . 978 382 165 ILE CD1 C 7.339 0.000 . 979 382 165 ILE N N 123.100 0.000 . 980 383 166 ASP H H 8.971 0.006 . 981 383 166 ASP N N 129.873 0.049 . 982 384 167 THR H H 8.108 0.003 . 983 384 167 THR HA H 5.063 0.010 . 984 384 167 THR HG2 H 0.798 0.001 . 985 384 167 THR CA C 56.470 0.000 . 986 384 167 THR CG2 C 17.557 0.000 . 987 384 167 THR N N 110.846 0.054 . 988 385 168 ASP H H 8.836 0.002 . 989 385 168 ASP N N 122.048 0.000 . 990 387 170 HIS H H 8.312 0.002 . 991 387 170 HIS HE1 H 7.749 0.001 . 992 387 170 HIS CE1 C 138.797 0.000 . 993 387 170 HIS N N 120.392 0.014 . 994 388 171 LYS H H 8.883 0.003 . 995 388 171 LYS HA H 3.817 0.002 . 996 388 171 LYS CA C 54.250 0.000 . 997 388 171 LYS N N 120.498 0.119 . 998 389 172 TYR H H 8.160 0.005 . 999 389 172 TYR N N 122.538 0.013 . 1000 391 174 ILE H H 7.618 0.002 . 1001 391 174 ILE HG12 H 1.149 0.005 . 1002 391 174 ILE HG13 H 1.149 0.005 . 1003 391 174 ILE HG2 H 0.796 0.005 . 1004 391 174 ILE HD1 H 0.700 0.005 . 1005 391 174 ILE CG1 C 23.340 0.000 . 1006 391 174 ILE CG2 C 15.340 0.000 . 1007 391 174 ILE CD1 C 11.563 0.000 . 1008 391 174 ILE N N 113.417 0.000 . 1009 392 175 GLY H H 7.930 0.005 . 1010 392 175 GLY HA2 H 3.944 0.003 . 1011 392 175 GLY HA3 H 3.944 0.003 . 1012 392 175 GLY CA C 42.598 0.000 . 1013 392 175 GLY N N 111.945 0.000 . 1014 393 176 SER H H 7.196 0.002 . 1015 393 176 SER N N 113.089 0.000 . 1016 394 177 GLY H H 8.746 0.002 . 1017 394 177 GLY N N 108.600 0.000 . 1018 395 178 ARG H H 9.139 0.003 . 1019 395 178 ARG HA H 5.564 0.003 . 1020 395 178 ARG CA C 51.600 0.000 . 1021 395 178 ARG N N 120.260 0.092 . 1022 396 179 VAL H H 8.423 0.000 . 1023 396 179 VAL HA H 4.788 0.006 . 1024 396 179 VAL HB H 1.474 0.002 . 1025 396 179 VAL HG1 H 0.820 0.004 . 1026 396 179 VAL HG2 H 0.405 0.003 . 1027 396 179 VAL CA C 58.000 0.000 . 1028 396 179 VAL CB C 32.857 0.000 . 1029 396 179 VAL CG1 C 17.140 0.000 . 1030 396 179 VAL CG2 C 19.452 0.000 . 1031 396 179 VAL N N 120.090 0.000 . 1032 397 180 THR H H 8.805 0.001 . 1033 397 180 THR HA H 4.985 0.001 . 1034 397 180 THR HB H 3.647 0.000 . 1035 397 180 THR HG2 H 1.223 0.001 . 1036 397 180 THR CA C 60.002 0.000 . 1037 397 180 THR CB C 67.882 0.000 . 1038 397 180 THR CG2 C 21.180 0.000 . 1039 397 180 THR N N 124.606 0.000 . 1040 398 181 PHE H H 8.785 0.003 . 1041 398 181 PHE HD1 H 7.687 0.002 . 1042 398 181 PHE HD2 H 7.687 0.002 . 1043 398 181 PHE HE1 H 7.255 0.007 . 1044 398 181 PHE HE2 H 7.255 0.007 . 1045 398 181 PHE HZ H 6.801 0.009 . 1046 398 181 PHE CD2 C 132.900 0.000 . 1047 398 181 PHE CE2 C 131.734 0.000 . 1048 398 181 PHE CZ C 128.534 0.000 . 1049 398 181 PHE N N 126.100 0.000 . 1050 399 182 ASN H H 9.829 0.009 . 1051 399 182 ASN HA H 4.774 0.001 . 1052 399 182 ASN HB2 H 3.427 0.003 . 1053 399 182 ASN HB3 H 3.427 0.003 . 1054 399 182 ASN HD21 H 7.287 0.002 . 1055 399 182 ASN HD22 H 6.925 0.000 . 1056 399 182 ASN CA C 49.092 0.000 . 1057 399 182 ASN CB C 35.667 0.000 . 1058 399 182 ASN N N 117.163 0.014 . 1059 399 182 ASN ND2 N 110.194 0.051 . 1060 400 183 ASN H H 7.463 0.002 . 1061 400 183 ASN N N 112.800 0.000 . 1062 402 185 ARG H H 8.229 0.004 . 1063 402 185 ARG HA H 3.973 0.001 . 1064 402 185 ARG HB2 H 1.988 0.001 . 1065 402 185 ARG HB3 H 1.988 0.001 . 1066 402 185 ARG HG2 H 1.752 0.000 . 1067 402 185 ARG HG3 H 1.752 0.000 . 1068 402 185 ARG HD2 H 3.232 0.003 . 1069 402 185 ARG HD3 H 3.232 0.003 . 1070 402 185 ARG CA C 57.435 0.000 . 1071 402 185 ARG CB C 26.349 0.000 . 1072 402 185 ARG CG C 24.300 0.000 . 1073 402 185 ARG CD C 40.432 0.000 . 1074 402 185 ARG N N 121.748 0.000 . 1075 403 186 SER H H 8.802 0.002 . 1076 403 186 SER HA H 3.851 0.001 . 1077 403 186 SER CA C 60.250 0.000 . 1078 403 186 SER N N 118.948 0.000 . 1079 404 187 TYR H H 6.273 0.002 . 1080 404 187 TYR HA H 3.098 0.003 . 1081 404 187 TYR HD1 H 6.844 0.003 . 1082 404 187 TYR HD2 H 6.844 0.003 . 1083 404 187 TYR HE1 H 6.793 0.004 . 1084 404 187 TYR HE2 H 6.793 0.004 . 1085 404 187 TYR CA C 57.900 0.000 . 1086 404 187 TYR CD1 C 132.769 0.000 . 1087 404 187 TYR CE1 C 119.244 0.000 . 1088 404 187 TYR N N 119.114 0.003 . 1089 405 188 LEU H H 8.370 0.007 . 1090 405 188 LEU HA H 3.601 0.007 . 1091 405 188 LEU HB2 H 1.837 0.007 . 1092 405 188 LEU HB3 H 1.381 0.001 . 1093 405 188 LEU HD1 H 0.877 0.001 . 1094 405 188 LEU HD2 H 0.895 0.003 . 1095 405 188 LEU CA C 54.392 0.000 . 1096 405 188 LEU CB C 38.557 0.000 . 1097 405 188 LEU CD1 C 19.587 0.000 . 1098 405 188 LEU CD2 C 22.552 0.000 . 1099 405 188 LEU N N 118.922 0.022 . 1100 406 189 LYS H H 8.067 0.001 . 1101 406 189 LYS HA H 3.770 0.002 . 1102 406 189 LYS HB2 H 1.877 0.002 . 1103 406 189 LYS HB3 H 1.838 0.006 . 1104 406 189 LYS CA C 56.578 0.000 . 1105 406 189 LYS CB C 29.777 0.000 . 1106 406 189 LYS N N 121.677 0.000 . 1107 407 190 ALA H H 7.057 0.001 . 1108 407 190 ALA HA H 2.489 0.000 . 1109 407 190 ALA HB H 0.605 0.001 . 1110 407 190 ALA CA C 51.700 0.000 . 1111 407 190 ALA CB C 15.627 0.000 . 1112 407 190 ALA N N 124.032 0.011 . 1113 408 191 VAL H H 7.564 0.001 . 1114 408 191 VAL HA H 3.221 0.001 . 1115 408 191 VAL HB H 1.647 0.004 . 1116 408 191 VAL HG1 H 0.368 0.005 . 1117 408 191 VAL HG2 H 0.647 0.003 . 1118 408 191 VAL CA C 62.780 0.000 . 1119 408 191 VAL CB C 28.727 0.000 . 1120 408 191 VAL CG1 C 19.170 0.000 . 1121 408 191 VAL CG2 C 18.674 0.000 . 1122 408 191 VAL N N 114.114 0.003 . 1123 409 192 SER H H 7.828 0.000 . 1124 409 192 SER HA H 4.128 0.002 . 1125 409 192 SER HB2 H 3.902 0.002 . 1126 409 192 SER HB3 H 3.837 0.003 . 1127 409 192 SER CA C 58.000 0.000 . 1128 409 192 SER CB C 60.300 0.000 . 1129 409 192 SER N N 114.964 0.000 . 1130 410 193 ALA H H 7.578 0.003 . 1131 410 193 ALA HA H 4.186 0.000 . 1132 410 193 ALA HB H 1.631 0.000 . 1133 410 193 ALA CA C 52.140 0.000 . 1134 410 193 ALA CB C 16.259 0.000 . 1135 410 193 ALA N N 124.700 0.000 . 1136 411 194 ALA H H 7.303 0.000 . 1137 411 194 ALA HA H 3.994 0.004 . 1138 411 194 ALA HB H 1.573 0.002 . 1139 411 194 ALA CA C 54.810 0.000 . 1140 411 194 ALA CB C 16.048 0.000 . 1141 411 194 ALA N N 114.795 0.000 . 1142 412 195 PHE H H 9.102 0.001 . 1143 412 195 PHE HA H 5.575 0.002 . 1144 412 195 PHE HD1 H 7.157 0.007 . 1145 412 195 PHE HD2 H 7.157 0.007 . 1146 412 195 PHE HE1 H 7.296 0.003 . 1147 412 195 PHE HE2 H 7.296 0.003 . 1148 412 195 PHE CA C 53.941 0.000 . 1149 412 195 PHE CD2 C 132.469 0.000 . 1150 412 195 PHE CE2 C 131.400 0.000 . 1151 412 195 PHE N N 119.797 0.000 . 1152 413 196 VAL H H 8.431 0.009 . 1153 413 196 VAL HB H 1.746 0.001 . 1154 413 196 VAL HG1 H 0.718 0.001 . 1155 413 196 VAL CB C 33.457 0.000 . 1156 413 196 VAL CG1 C 18.800 0.000 . 1157 413 196 VAL N N 118.100 0.000 . 1158 414 197 GLU H H 9.074 0.006 . 1159 414 197 GLU N N 128.544 0.092 . 1160 415 198 ILE H H 9.157 0.003 . 1161 415 198 ILE HA H 4.744 0.002 . 1162 415 198 ILE HB H 2.123 0.002 . 1163 415 198 ILE HG2 H 0.976 0.000 . 1164 415 198 ILE HD1 H 0.774 0.002 . 1165 415 198 ILE CA C 58.590 0.000 . 1166 415 198 ILE CB C 36.879 0.000 . 1167 415 198 ILE CG2 C 15.088 0.000 . 1168 415 198 ILE CD1 C 12.282 0.000 . 1169 415 198 ILE N N 130.110 0.009 . 1170 416 199 LYS H H 9.188 0.008 . 1171 416 199 LYS HA H 4.899 0.000 . 1172 416 199 LYS HB2 H 1.730 0.000 . 1173 416 199 LYS HB3 H 1.648 0.001 . 1174 416 199 LYS CA C 52.900 0.000 . 1175 416 199 LYS CB C 31.429 0.000 . 1176 416 199 LYS N N 128.903 0.007 . 1177 417 200 THR H H 8.111 0.002 . 1178 417 200 THR HA H 4.975 0.002 . 1179 417 200 THR HB H 4.354 0.013 . 1180 417 200 THR HG2 H 0.821 0.000 . 1181 417 200 THR CA C 56.351 0.000 . 1182 417 200 THR CB C 69.511 0.000 . 1183 417 200 THR CG2 C 18.130 0.000 . 1184 417 200 THR N N 114.892 0.056 . 1185 418 201 THR H H 8.425 0.003 . 1186 418 201 THR N N 112.648 0.000 . 1187 419 202 LYS H H 7.434 0.003 . 1188 419 202 LYS HA H 4.380 0.001 . 1189 419 202 LYS HB2 H 1.921 0.000 . 1190 419 202 LYS HB3 H 1.921 0.000 . 1191 419 202 LYS CA C 53.052 0.000 . 1192 419 202 LYS CB C 31.597 0.000 . 1193 419 202 LYS N N 117.514 0.038 . 1194 420 203 PHE H H 6.846 0.003 . 1195 420 203 PHE HA H 4.786 0.002 . 1196 420 203 PHE HD1 H 6.454 0.000 . 1197 420 203 PHE HD2 H 6.454 0.000 . 1198 420 203 PHE HE1 H 6.781 0.014 . 1199 420 203 PHE HE2 H 6.781 0.014 . 1200 420 203 PHE CA C 54.310 0.000 . 1201 420 203 PHE CD2 C 132.500 0.000 . 1202 420 203 PHE CE2 C 129.706 0.000 . 1203 420 203 PHE N N 114.295 0.053 . 1204 421 204 THR H H 8.457 0.005 . 1205 421 204 THR HA H 5.484 0.001 . 1206 421 204 THR HB H 4.038 0.004 . 1207 421 204 THR HG2 H 1.186 0.001 . 1208 421 204 THR CA C 58.181 0.000 . 1209 421 204 THR CB C 68.522 0.000 . 1210 421 204 THR CG2 C 18.558 0.000 . 1211 421 204 THR N N 116.997 0.000 . 1212 422 205 LYS H H 9.327 0.006 . 1213 422 205 LYS HA H 4.773 0.003 . 1214 422 205 LYS HB2 H 1.953 0.001 . 1215 422 205 LYS HB3 H 1.953 0.001 . 1216 422 205 LYS CA C 51.806 0.000 . 1217 422 205 LYS CB C 34.500 0.000 . 1218 422 205 LYS N N 127.338 0.009 . 1219 423 206 LYS H H 8.660 0.002 . 1220 423 206 LYS HA H 5.247 0.005 . 1221 423 206 LYS HB2 H 1.688 0.001 . 1222 423 206 LYS HB3 H 1.688 0.001 . 1223 423 206 LYS CA C 52.791 0.000 . 1224 423 206 LYS CB C 30.057 0.000 . 1225 423 206 LYS N N 129.354 0.002 . 1226 424 207 VAL H H 8.977 0.009 . 1227 424 207 VAL HG1 H 0.740 0.005 . 1228 424 207 VAL HG2 H 0.763 0.001 . 1229 424 207 VAL CG1 C 15.960 0.000 . 1230 424 207 VAL CG2 C 18.500 0.000 . 1231 424 207 VAL N N 122.158 0.068 . 1232 425 208 GLN H H 8.066 0.012 . 1233 425 208 GLN HE21 H 8.198 0.006 . 1234 425 208 GLN HE22 H 6.619 0.000 . 1235 425 208 GLN N N 123.397 0.043 . 1236 425 208 GLN NE2 N 113.964 0.025 . 1237 426 209 ILE H H 8.556 0.002 . 1238 426 209 ILE HB H 1.392 0.001 . 1239 426 209 ILE HG2 H 0.529 0.003 . 1240 426 209 ILE HD1 H 0.763 0.001 . 1241 426 209 ILE CB C 36.930 0.000 . 1242 426 209 ILE CG2 C 15.366 0.000 . 1243 426 209 ILE CD1 C 11.612 0.000 . 1244 426 209 ILE N N 125.659 0.041 . 1245 427 210 ASP H H 9.099 0.007 . 1246 427 210 ASP HA H 5.455 0.005 . 1247 427 210 ASP HB2 H 2.852 0.001 . 1248 427 210 ASP HB3 H 2.426 0.006 . 1249 427 210 ASP CA C 48.983 0.000 . 1250 427 210 ASP CB C 42.093 0.011 . 1251 427 210 ASP N N 127.578 0.022 . 1252 429 212 TYR H H 8.357 0.006 . 1253 429 212 TYR HD1 H 6.930 0.008 . 1254 429 212 TYR HD2 H 6.930 0.008 . 1255 429 212 TYR HE1 H 6.816 0.000 . 1256 429 212 TYR HE2 H 6.816 0.000 . 1257 429 212 TYR CD1 C 132.900 0.000 . 1258 429 212 TYR CE1 C 119.103 0.000 . 1259 429 212 TYR N N 124.600 0.000 . stop_ save_