data_5987 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Interaction of the TAZ1 domain of CREB-binding protein with the activation domain of CITED2: Regulation by competition between intrinsically unstructured ligands for non-identical binding sites ; _BMRB_accession_number 5987 _BMRB_flat_file_name bmr5987.str _Entry_type original _Submission_date 2003-10-28 _Accession_date 2003-10-28 _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 'De Guzman' Roberto N. . 2 Martinez-Yamout Maria . . 3 Dyson 'H. Jane' . . 4 Wright Peter E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 759 "13C chemical shifts" 481 "15N chemical shifts" 145 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-02-13 original author . stop_ _Original_release_date 2004-02-13 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Interaction of the TAZ1 domain of the CREB-binding protein with the activation domain of CITED2: Regulation by competition between intrinsically unstructured ligands for non-identical binding sites ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 14594809 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 'De Guzman' Roberto N. . 2 Martinez-Yamout Maria . . 3 Dyson 'H. Jane' . . 4 Wright Peter E. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 279 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3042 _Page_last 3049 _Year 2004 _Details . loop_ _Keyword CBP TAZ1 CITED2 NMR stop_ save_ ################################## # Molecular system description # ################################## save_system_CBP_CITED2 _Saveframe_category molecular_system _Mol_system_name 'CBP TAZ1 domain and CITED2 CAD' _Abbreviation_common 'CBP, CITED2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'CITED2 CAD' $CITED2_CAD 'CBP TAZ1' $CBP_TAZ1 'ZINC (II) ION, 1' $ZN 'ZINC (II) ION, 2' $ZN 'ZINC (II) ION, 3' $ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'other bound and free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CITED2_CAD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'CITED2 C-terminal activation domain' _Abbreviation_common 'CITED2 CAD' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 51 _Mol_residue_sequence ; MTDFIDEEVLMSLVIEMGLD RIKELPELWLGQNEFDFMTD FVCKQQPSRVS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 219 MET 2 220 THR 3 221 ASP 4 222 PHE 5 223 ILE 6 224 ASP 7 225 GLU 8 226 GLU 9 227 VAL 10 228 LEU 11 229 MET 12 230 SER 13 231 LEU 14 232 VAL 15 233 ILE 16 234 GLU 17 235 MET 18 236 GLY 19 237 LEU 20 238 ASP 21 239 ARG 22 240 ILE 23 241 LYS 24 242 GLU 25 243 LEU 26 244 PRO 27 245 GLU 28 246 LEU 29 247 TRP 30 248 LEU 31 249 GLY 32 250 GLN 33 251 ASN 34 252 GLU 35 253 PHE 36 254 ASP 37 255 PHE 38 256 MET 39 257 THR 40 258 ASP 41 259 PHE 42 260 VAL 43 261 CYS 44 262 LYS 45 263 GLN 46 264 GLN 47 265 PRO 48 266 SER 49 267 ARG 50 268 VAL 51 269 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_CBP_TAZ1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'CBP TAZ1 domain' _Abbreviation_common TAZ1 _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . _Residue_count 100 _Mol_residue_sequence ; ATGPTADPEKRKLIQQQLVL LLHAHKCQRREQANGEVRAC SLPHCRTMKNVLNHMTHCQA GKACQVAHCASSRQIISHWK NCTRHDCPVCLPLKNASDKR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 340 ALA 2 341 THR 3 342 GLY 4 343 PRO 5 344 THR 6 345 ALA 7 346 ASP 8 347 PRO 9 348 GLU 10 349 LYS 11 350 ARG 12 351 LYS 13 352 LEU 14 353 ILE 15 354 GLN 16 355 GLN 17 356 GLN 18 357 LEU 19 358 VAL 20 359 LEU 21 360 LEU 22 361 LEU 23 362 HIS 24 363 ALA 25 364 HIS 26 365 LYS 27 366 CYS 28 367 GLN 29 368 ARG 30 369 ARG 31 370 GLU 32 371 GLN 33 372 ALA 34 373 ASN 35 374 GLY 36 375 GLU 37 376 VAL 38 377 ARG 39 378 ALA 40 379 CYS 41 380 SER 42 381 LEU 43 382 PRO 44 383 HIS 45 384 CYS 46 385 ARG 47 386 THR 48 387 MET 49 388 LYS 50 389 ASN 51 390 VAL 52 391 LEU 53 392 ASN 54 393 HIS 55 394 MET 56 395 THR 57 396 HIS 58 397 CYS 59 398 GLN 60 399 ALA 61 400 GLY 62 401 LYS 63 402 ALA 64 403 CYS 65 404 GLN 66 405 VAL 67 406 ALA 68 407 HIS 69 408 CYS 70 409 ALA 71 410 SER 72 411 SER 73 412 ARG 74 413 GLN 75 414 ILE 76 415 ILE 77 416 SER 78 417 HIS 79 418 TRP 80 419 LYS 81 420 ASN 82 421 CYS 83 422 THR 84 423 ARG 85 424 HIS 86 425 ASP 87 426 CYS 88 427 PRO 89 428 VAL 90 429 CYS 91 430 LEU 92 431 PRO 93 432 LEU 94 433 LYS 95 434 ASN 96 435 ALA 97 436 SER 98 437 ASP 99 438 LYS 100 439 ARG stop_ _Sequence_homology_query_date 2008-08-19 _Sequence_homology_query_revised_last_date 2008-08-19 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 SWISS-PROT P45481 'CREB-binding protein' 100.00 2441 99.00 99.00 3.97e-47 SWISS-PROT Q92793 'CREB-binding protein' 100.00 2442 100.00 100.00 4.00e-48 REF NP_596872 'CREB binding protein [Rattus norvegicus]' 100.00 2442 100.00 100.00 3.56e-48 REF XP_001095225 'PREDICTED: CREB binding protein [Macaca mulatta]' 100.00 2442 100.00 100.00 3.84e-48 REF NP_001073315 'CREB binding protein isoform b [Homo sapiens]' 65.00 2404 100.00 100.00 4.53e-25 REF NP_004371 'CREB binding protein isoform a [Homo sapiens]' 100.00 2442 100.00 100.00 4.00e-48 PRF 1923401A 'protein CBP' 100.00 2441 99.00 99.00 3.42e-47 REF NP_001020603 'CREB binding protein [Mus musculus]' 100.00 2441 100.00 100.00 3.59e-48 GenBank AAC51770 'CREB-binding protein' 100.00 2442 100.00 100.00 3.87e-48 GenBank AAH72594 'Crebbp protein [Mus musculus]' 100.00 1589 100.00 100.00 1.46e-55 GenBank AAC08447 'CBP [Homo sapiens]' 100.00 555 100.00 100.00 2.03e-55 GenBank AAC51331 'CREB-binding protein [Homo sapiens]' 100.00 2442 100.00 100.00 4.00e-48 DBJ BAG65526 'unnamed protein product [Homo sapiens]' 53.00 1198 100.00 100.00 5.63e-26 GenBank AAB28651 'CREB-binding protein; CBP [Mus sp.]' 100.00 2441 99.00 99.00 3.97e-47 PDB 1U2N 'Structure Cbp Taz1 Domain' 99.00 100 98.99 98.99 8.48e-50 DBJ BAE06125 'CREBBP variant protein [Homo sapiens]' 65.00 2472 100.00 100.00 4.00e-25 PDB 1L8C 'Structural Basis For Hif-1alphaCBP RECOGNITION IN THE Cellular Hypoxic Response' 94.00 95 100.00 100.00 1.53e-47 PDB 1R8U 'Nmr Structure Of Cbp Taz1CITED2 COMPLEX' 99.00 100 100.00 100.00 8.41e-51 BMRB 5327 'CREB-binding protein' 95.00 95 100.00 100.00 4.04e-48 BMRB 6268 'CBP TAZ1 domain' 100.00 100 100.00 100.00 2.00e-51 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 10:37:44 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CITED2_CAD Human 9606 Eukaryota Metazoa Homo sapiens $CBP_TAZ1 Mouse 10090 Eukaryota Metazoa Mus musculus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $CITED2_CAD 'recombinant technology' . . . . . $CBP_TAZ1 'recombinant technology' . . . . . 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 $CITED2_CAD 0.5 mM 0.5 0.5 '[U-13C; U-15N]' $CBP_TAZ1 0.5 mM 0.5 0.5 . Tris-d11 10 mM . . . NaN3 2 mM . . . D2O 10 % . . . H2O 90 % . . . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CITED2_CAD 0.5 mM . $CBP_TAZ1 0.5 mM '[U-13C; U-15N]' Tris-d11 10 mM . NaN3 2 mM . D2O 10 % . H2O 90 % . stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer BRUKER _Model AVANCE _Field_strength 900 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer BRUKER _Model AVANCE _Field_strength 800 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer BRUKER _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label . save_ save_3D_CBCACONH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCACONH' _Sample_label . save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label . save_ save_3D_HCCH-TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label . save_ save_3D_HCCH-COSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label . save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label . save_ save_3D_1H-13C_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label . save_ save_2D_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HSQC' _Sample_label . save_ save_2D_1H-13C_HMQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HMQC' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCACONH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HMQC' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.8 0.2 n/a temperature 298 1 K 'ionic strength' 16 0.02 mM stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'CITED2 CAD' _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 . 1 MET CA C 54.516 0.1 1 2 . 1 MET HA H 4.040 0.02 1 3 . 1 MET CB C 32.590 0.1 1 4 . 1 MET HB2 H 1.943 0.02 2 5 . 1 MET CG C 30.551 0.1 1 6 . 1 MET HG2 H 2.423 0.02 2 7 . 1 MET CE C 16.543 0.1 1 8 . 1 MET HE H 1.955 0.02 1 9 . 2 THR CA C 61.215 0.1 1 10 . 2 THR HA H 4.350 0.02 1 11 . 2 THR CB C 69.146 0.1 1 12 . 2 THR HB H 4.118 0.02 1 13 . 2 THR CG2 C 21.090 0.1 1 14 . 2 THR HG2 H 1.109 0.02 1 15 . 3 ASP CA C 53.871 0.1 1 16 . 3 ASP HA H 4.569 0.02 1 17 . 3 ASP CB C 40.772 0.1 1 18 . 3 ASP HB2 H 2.583 0.02 2 19 . 4 PHE N N 117.010 0.1 1 20 . 4 PHE H H 8.249 0.02 1 21 . 4 PHE CA C 57.647 0.1 1 22 . 4 PHE HA H 4.632 0.02 1 23 . 4 PHE CB C 39.247 0.1 1 24 . 4 PHE HB2 H 3.112 0.02 2 25 . 4 PHE CD1 C 130.549 0.1 2 26 . 4 PHE HD1 H 7.235 0.02 2 27 . 4 PHE CE1 C 130.338 0.1 2 28 . 4 PHE HE1 H 7.307 0.02 2 29 . 5 ILE N N 121.470 0.1 1 30 . 5 ILE H H 7.532 0.02 1 31 . 5 ILE CA C 59.769 0.1 1 32 . 5 ILE HA H 4.238 0.02 1 33 . 5 ILE CB C 39.145 0.1 1 34 . 5 ILE HB H 1.791 0.02 1 35 . 5 ILE CG1 C 27.461 0.1 2 36 . 5 ILE HG12 H 1.546 0.02 9 37 . 5 ILE HG13 H 1.227 0.02 9 38 . 5 ILE CD1 C 13.412 0.1 1 39 . 5 ILE HD1 H 0.875 0.02 1 40 . 5 ILE CG2 C 17.209 0.1 2 41 . 5 ILE HG2 H 0.876 0.02 1 42 . 6 ASP N N 127.108 0.1 1 43 . 6 ASP H H 8.586 0.02 1 44 . 6 ASP CA C 53.818 0.1 1 45 . 6 ASP HA H 4.526 0.02 1 46 . 6 ASP CB C 41.902 0.1 1 47 . 6 ASP HB2 H 2.804 0.02 2 48 . 6 ASP HB3 H 2.766 0.02 2 49 . 7 GLU N N 125.271 0.1 1 50 . 7 GLU H H 9.075 0.02 1 51 . 7 GLU CA C 59.485 0.1 1 52 . 7 GLU HA H 3.920 0.02 1 53 . 7 GLU CB C 29.604 0.1 1 54 . 7 GLU HB2 H 2.103 0.02 2 55 . 7 GLU CG C 36.352 0.1 1 56 . 7 GLU HG2 H 2.332 0.02 2 57 . 8 GLU N N 120.027 0.1 1 58 . 8 GLU H H 8.765 0.02 1 59 . 8 GLU CA C 58.880 0.1 1 60 . 8 GLU HA H 4.166 0.02 1 61 . 8 GLU CB C 28.510 0.1 1 62 . 8 GLU HB2 H 2.170 0.02 2 63 . 8 GLU HB3 H 2.118 0.02 2 64 . 8 GLU CG C 35.956 0.1 1 65 . 8 GLU HG2 H 2.392 0.02 2 66 . 8 GLU HG3 H 2.330 0.02 2 67 . 9 VAL N N 122.303 0.1 1 68 . 9 VAL H H 7.709 0.02 1 69 . 9 VAL CA C 65.179 0.1 1 70 . 9 VAL HA H 3.756 0.02 1 71 . 9 VAL CB C 31.419 0.1 1 72 . 9 VAL HB H 2.208 0.02 1 73 . 9 VAL CG2 C 22.334 0.1 2 74 . 9 VAL HG2 H 1.118 0.02 1 75 . 9 VAL CG1 C 20.829 0.1 2 76 . 9 VAL HG1 H 0.938 0.02 1 77 . 10 LEU N N 119.611 0.1 1 78 . 10 LEU H H 7.905 0.02 1 79 . 10 LEU CA C 57.572 0.1 1 80 . 10 LEU HA H 3.981 0.02 1 81 . 10 LEU CB C 41.404 0.1 1 82 . 10 LEU HB2 H 1.698 0.02 2 83 . 10 LEU HB3 H 1.644 0.02 2 84 . 10 LEU CG C 26.493 0.1 1 85 . 10 LEU HG H 1.673 0.02 1 86 . 10 LEU CD1 C 24.319 0.1 2 87 . 10 LEU HD1 H 0.817 0.02 1 88 . 11 MET N N 116.935 0.1 1 89 . 11 MET H H 8.154 0.02 1 90 . 11 MET CA C 57.155 0.1 1 91 . 11 MET HA H 4.253 0.02 1 92 . 11 MET CB C 30.816 0.1 1 93 . 11 MET HB2 H 2.200 0.02 2 94 . 11 MET CG C 31.931 0.1 1 95 . 11 MET HG2 H 2.731 0.02 2 96 . 11 MET CE C 16.379 0.1 1 97 . 11 MET HE H 2.072 0.02 1 98 . 12 SER N N 114.901 0.1 1 99 . 12 SER H H 7.929 0.02 1 100 . 12 SER CA C 61.366 0.1 1 101 . 12 SER HA H 4.233 0.02 1 102 . 12 SER CB C 62.045 0.1 1 103 . 12 SER HB2 H 4.063 0.02 2 104 . 13 LEU N N 123.911 0.1 1 105 . 13 LEU H H 7.888 0.02 1 106 . 13 LEU CA C 57.362 0.1 1 107 . 13 LEU HA H 4.170 0.02 1 108 . 13 LEU CB C 41.967 0.1 1 109 . 13 LEU HB2 H 2.024 0.02 2 110 . 13 LEU HB3 H 1.487 0.02 2 111 . 13 LEU CG C 26.561 0.1 1 112 . 13 LEU HG H 1.805 0.02 1 113 . 13 LEU CD1 C 23.291 0.1 2 114 . 13 LEU HD1 H 0.827 0.02 1 115 . 13 LEU CD2 C 25.679 0.1 2 116 . 13 LEU HD2 H 0.823 0.02 1 117 . 14 VAL N N 120.053 0.1 1 118 . 14 VAL H H 8.187 0.02 1 119 . 14 VAL CA C 66.375 0.1 1 120 . 14 VAL HA H 3.415 0.02 1 121 . 14 VAL CB C 31.154 0.1 1 122 . 14 VAL HB H 2.477 0.02 1 123 . 14 VAL CG2 C 22.397 0.1 2 124 . 14 VAL HG2 H 0.888 0.02 1 125 . 14 VAL CG1 C 21.771 0.1 2 126 . 14 VAL HG1 H 0.778 0.02 1 127 . 15 ILE N N 118.188 0.1 1 128 . 15 ILE H H 7.630 0.02 1 129 . 15 ILE CA C 63.094 0.1 1 130 . 15 ILE HA H 3.795 0.02 1 131 . 15 ILE CB C 37.271 0.1 1 132 . 15 ILE HB H 1.961 0.02 1 133 . 15 ILE CG1 C 27.983 0.1 2 134 . 15 ILE HG12 H 1.602 0.02 9 135 . 15 ILE HG13 H 1.291 0.02 9 136 . 15 ILE CD1 C 11.508 0.1 1 137 . 15 ILE HD1 H 0.787 0.02 1 138 . 15 ILE CG2 C 16.738 0.1 2 139 . 15 ILE HG2 H 0.928 0.02 1 140 . 16 GLU N N 124.057 0.1 1 141 . 16 GLU H H 8.656 0.02 1 142 . 16 GLU CA C 59.091 0.1 1 143 . 16 GLU HA H 4.030 0.02 1 144 . 16 GLU CB C 29.350 0.1 1 145 . 16 GLU HB2 H 2.232 0.02 2 146 . 16 GLU HB3 H 2.130 0.02 2 147 . 16 GLU CG C 35.194 0.1 1 148 . 16 GLU HG2 H 2.405 0.02 2 149 . 16 GLU HG3 H 2.293 0.02 2 150 . 17 MET N N 114.125 0.1 1 151 . 17 MET H H 8.410 0.02 1 152 . 17 MET CA C 55.904 0.1 1 153 . 17 MET HA H 4.350 0.02 1 154 . 17 MET CB C 33.042 0.1 1 155 . 17 MET HB2 H 2.004 0.02 2 156 . 17 MET HB3 H 2.214 0.02 2 157 . 17 MET CG C 33.501 0.1 1 158 . 17 MET HG2 H 2.815 0.02 2 159 . 17 MET HG3 H 2.586 0.02 2 160 . 17 MET CE C 17.609 0.1 1 161 . 17 MET HE H 1.996 0.02 1 162 . 18 GLY N N 107.654 0.1 1 163 . 18 GLY H H 7.911 0.02 1 164 . 18 GLY CA C 45.759 0.1 1 165 . 18 GLY HA3 H 3.996 0.02 2 166 . 18 GLY HA2 H 4.135 0.02 2 167 . 19 LEU N N 119.039 0.1 1 168 . 19 LEU H H 8.322 0.02 1 169 . 19 LEU CA C 56.194 0.1 1 170 . 19 LEU HA H 4.078 0.02 1 171 . 19 LEU CB C 41.192 0.1 1 172 . 19 LEU HB2 H 1.569 0.02 2 173 . 19 LEU HB3 H 1.849 0.02 2 174 . 19 LEU CD1 C 22.880 0.1 2 175 . 19 LEU HD1 H 0.836 0.02 1 176 . 19 LEU CD2 C 25.552 0.1 2 177 . 19 LEU HD2 H 0.955 0.02 1 178 . 20 ASP N N 114.357 0.1 1 179 . 20 ASP H H 9.257 0.02 1 180 . 20 ASP CA C 54.100 0.1 1 181 . 20 ASP HA H 4.204 0.02 1 182 . 20 ASP CB C 38.595 0.1 1 183 . 20 ASP HB2 H 2.669 0.02 2 184 . 20 ASP HB3 H 2.266 0.02 2 185 . 21 ARG N N 117.358 0.1 1 186 . 21 ARG H H 7.385 0.02 1 187 . 21 ARG CA C 54.771 0.1 1 188 . 21 ARG HA H 4.446 0.02 1 189 . 21 ARG CB C 31.117 0.1 1 190 . 21 ARG HB2 H 1.966 0.02 2 191 . 21 ARG HB3 H 1.697 0.02 2 192 . 21 ARG CG C 26.600 0.1 1 193 . 21 ARG HG2 H 1.554 0.02 2 194 . 21 ARG CD C 42.737 0.1 1 195 . 21 ARG HD2 H 3.147 0.02 2 196 . 22 ILE N N 119.611 0.1 1 197 . 22 ILE H H 7.166 0.02 1 198 . 22 ILE CA C 61.375 0.1 1 199 . 22 ILE HA H 4.074 0.02 1 200 . 22 ILE CB C 38.258 0.1 1 201 . 22 ILE HB H 1.848 0.02 1 202 . 22 ILE CG1 C 26.986 0.1 2 203 . 22 ILE HG12 H 1.626 0.02 9 204 . 22 ILE HG13 H 1.178 0.02 9 205 . 22 ILE CD1 C 13.181 0.1 1 206 . 22 ILE HD1 H 0.811 0.02 1 207 . 22 ILE CG2 C 17.182 0.1 2 208 . 22 ILE HG2 H 0.884 0.02 1 209 . 23 LYS N N 118.393 0.1 1 210 . 23 LYS H H 7.793 0.02 1 211 . 23 LYS CA C 57.119 0.1 1 212 . 23 LYS HA H 4.314 0.02 1 213 . 23 LYS CB C 32.774 0.1 1 214 . 23 LYS HB2 H 1.933 0.02 2 215 . 23 LYS HB3 H 1.851 0.02 2 216 . 23 LYS CG C 24.521 0.1 1 217 . 23 LYS HG2 H 1.524 0.02 2 218 . 23 LYS HG3 H 1.445 0.02 2 219 . 23 LYS CD C 28.445 0.1 1 220 . 23 LYS HD2 H 1.698 0.02 2 221 . 23 LYS CE C 41.427 0.1 1 222 . 23 LYS HE2 H 3.009 0.02 2 223 . 24 GLU N N 121.781 0.1 1 224 . 24 GLU H H 8.351 0.02 1 225 . 24 GLU CA C 54.408 0.1 1 226 . 24 GLU HA H 4.481 0.02 1 227 . 24 GLU CB C 31.152 0.1 1 228 . 24 GLU HB2 H 1.848 0.02 2 229 . 24 GLU HB3 H 1.915 0.02 2 230 . 24 GLU CG C 35.265 0.1 1 231 . 24 GLU HG2 H 2.152 0.02 2 232 . 25 LEU N N 126.436 0.1 1 233 . 25 LEU H H 8.402 0.02 1 234 . 25 LEU CA C 51.009 0.1 1 235 . 25 LEU HA H 4.368 0.02 1 236 . 25 LEU CB C 41.535 0.1 1 237 . 25 LEU HB2 H 1.316 0.02 2 238 . 25 LEU HB3 H 0.479 0.02 2 239 . 25 LEU CG C 25.861 0.1 1 240 . 25 LEU HG H 1.046 0.02 1 241 . 25 LEU CD1 C 24.063 0.1 2 242 . 25 LEU HD1 H 0.476 0.02 1 243 . 25 LEU CD2 C 24.273 0.1 2 244 . 25 LEU HD2 H 0.243 0.02 1 245 . 26 PRO CA C 62.179 0.1 1 246 . 26 PRO HA H 4.354 0.02 1 247 . 26 PRO CB C 31.616 0.1 1 248 . 26 PRO HB2 H 2.213 0.02 2 249 . 26 PRO HB3 H 1.690 0.02 2 250 . 26 PRO CG C 27.332 0.1 1 251 . 26 PRO HG2 H 2.009 0.02 2 252 . 26 PRO CD C 50.265 0.1 1 253 . 26 PRO HD2 H 3.871 0.02 2 254 . 26 PRO HD3 H 3.486 0.02 2 255 . 27 GLU N N 121.643 0.1 1 256 . 27 GLU H H 8.392 0.02 1 257 . 27 GLU CA C 54.913 0.1 1 258 . 27 GLU HA H 4.249 0.02 1 259 . 27 GLU CG C 36.005 0.1 1 260 . 27 GLU HG2 H 2.098 0.02 2 261 . 28 LEU N N 125.900 0.1 1 262 . 28 LEU H H 9.295 0.02 1 263 . 28 LEU CA C 53.390 0.1 1 264 . 28 LEU HA H 4.481 0.02 1 265 . 28 LEU CB C 42.819 0.1 1 266 . 28 LEU HB2 H 1.537 0.02 2 267 . 28 LEU HB3 H 1.115 0.02 2 268 . 28 LEU CG C 26.559 0.1 1 269 . 28 LEU HG H 1.661 0.02 1 270 . 28 LEU CD1 C 22.917 0.1 2 271 . 28 LEU HD1 H 0.705 0.02 1 272 . 28 LEU CD2 C 25.315 0.1 2 273 . 28 LEU HD2 H 0.663 0.02 1 274 . 29 TRP N N 124.387 0.1 1 275 . 29 TRP H H 8.788 0.02 1 276 . 29 TRP CA C 55.610 0.1 1 277 . 29 TRP HA H 4.834 0.02 1 278 . 29 TRP CB C 29.827 0.1 1 279 . 29 TRP HB2 H 3.313 0.02 2 280 . 29 TRP HB3 H 2.936 0.02 2 281 . 29 TRP CD1 C 126.642 0.1 2 282 . 29 TRP HD1 H 7.132 0.02 1 283 . 29 TRP NE1 N 129.659 0.1 1 284 . 29 TRP HE1 H 10.182 0.02 2 285 . 29 TRP CZ2 C 113.386 0.1 2 286 . 29 TRP HZ2 H 7.410 0.02 2 287 . 29 TRP CH2 C 123.211 0.1 1 288 . 29 TRP HH2 H 7.081 0.02 1 289 . 29 TRP CZ3 C 121.008 0.1 2 290 . 29 TRP HZ3 H 7.076 0.02 2 291 . 29 TRP CE3 C 127.912 0.1 2 292 . 29 TRP HE3 H 7.041 0.02 2 293 . 30 LEU N N 121.679 0.1 1 294 . 30 LEU H H 8.373 0.02 1 295 . 30 LEU CA C 53.978 0.1 1 296 . 30 LEU HA H 4.363 0.02 1 297 . 30 LEU CB C 41.828 0.1 1 298 . 30 LEU HB2 H 1.637 0.02 2 299 . 30 LEU HB3 H 1.436 0.02 2 300 . 30 LEU CG C 26.852 0.1 1 301 . 30 LEU HG H 1.504 0.02 1 302 . 30 LEU CD1 C 25.459 0.1 2 303 . 30 LEU HD1 H 0.799 0.02 1 304 . 30 LEU CD2 C 23.156 0.1 2 305 . 30 LEU HD2 H 0.703 0.02 1 306 . 31 GLY N N 109.881 0.1 1 307 . 31 GLY H H 8.570 0.02 1 308 . 31 GLY CA C 44.196 0.1 1 309 . 31 GLY HA3 H 3.988 0.02 2 310 . 31 GLY HA2 H 3.850 0.02 2 311 . 32 GLN N N 119.512 0.1 1 312 . 32 GLN H H 8.505 0.02 1 313 . 32 GLN CA C 56.184 0.1 1 314 . 32 GLN HA H 4.214 0.02 1 315 . 32 GLN CB C 28.850 0.1 1 316 . 32 GLN HB2 H 1.968 0.02 2 317 . 32 GLN HB3 H 2.103 0.02 2 318 . 32 GLN CG C 33.246 0.1 1 319 . 32 GLN HG2 H 2.342 0.02 2 320 . 32 GLN NE2 N 112.698 0.1 1 321 . 32 GLN HE21 H 7.593 0.02 2 322 . 32 GLN HE22 H 6.839 0.02 2 323 . 33 ASN N N 117.329 0.1 1 324 . 33 ASN H H 8.497 0.02 1 325 . 33 ASN CA C 52.807 0.1 1 326 . 33 ASN HA H 4.698 0.02 1 327 . 33 ASN CB C 38.368 0.1 1 328 . 33 ASN HB2 H 2.836 0.02 2 329 . 33 ASN HB3 H 2.695 0.02 2 330 . 33 ASN ND2 N 113.249 0.1 1 331 . 33 ASN HD21 H 7.672 0.02 2 332 . 33 ASN HD22 H 6.916 0.02 2 333 . 34 GLU CA C 57.649 0.1 1 334 . 34 GLU HA H 3.895 0.02 1 335 . 34 GLU CB C 29.216 0.1 1 336 . 34 GLU HB2 H 1.851 0.02 2 337 . 34 GLU HB3 H 1.669 0.02 2 338 . 35 PHE N N 117.279 0.1 1 339 . 35 PHE H H 8.190 0.02 1 340 . 35 PHE CA C 57.584 0.1 1 341 . 35 PHE HA H 4.381 0.02 1 342 . 35 PHE CB C 38.590 0.1 1 343 . 35 PHE HB2 H 3.074 0.02 2 344 . 35 PHE HB3 H 2.914 0.02 2 345 . 35 PHE CD1 C 130.562 0.1 2 346 . 35 PHE HD1 H 7.111 0.02 2 347 . 35 PHE CE1 C 129.713 0.1 2 348 . 35 PHE HE1 H 7.132 0.02 2 349 . 36 ASP N N 120.813 0.1 1 350 . 36 ASP H H 7.855 0.02 1 351 . 36 ASP CA C 54.166 0.1 1 352 . 36 ASP HA H 4.572 0.02 1 353 . 36 ASP CB C 40.527 0.1 1 354 . 36 ASP HB2 H 2.645 0.02 2 355 . 36 ASP HB3 H 2.515 0.02 2 356 . 37 PHE N N 119.653 0.1 1 357 . 37 PHE H H 8.005 0.02 1 358 . 37 PHE CA C 58.106 0.1 1 359 . 37 PHE HA H 4.531 0.02 1 360 . 37 PHE CB C 38.977 0.1 1 361 . 37 PHE HB2 H 3.161 0.02 2 362 . 37 PHE HB3 H 3.079 0.02 2 363 . 37 PHE CD1 C 130.818 0.1 2 364 . 37 PHE HD1 H 7.197 0.02 2 365 . 38 MET N N 118.638 0.1 1 366 . 38 MET H H 8.162 0.02 1 367 . 38 MET CA C 55.481 0.1 1 368 . 38 MET HA H 4.440 0.02 1 369 . 38 MET CB C 32.242 0.1 1 370 . 38 MET HB2 H 2.042 0.02 2 371 . 38 MET CG C 31.990 0.1 1 372 . 38 MET HG2 H 2.504 0.02 2 373 . 38 MET HG3 H 2.371 0.02 2 374 . 38 MET CE C 16.755 0.1 1 375 . 38 MET HE H 1.965 0.02 1 376 . 39 THR N N 113.337 0.1 1 377 . 39 THR H H 7.947 0.02 1 378 . 39 THR CA C 62.232 0.1 1 379 . 39 THR HA H 4.250 0.02 1 380 . 39 THR CB C 68.983 0.1 1 381 . 39 THR HB H 4.192 0.02 1 382 . 39 THR CG2 C 21.279 0.1 1 383 . 39 THR HG2 H 1.112 0.02 1 384 . 40 ASP N N 121.807 0.1 1 385 . 40 ASP H H 8.197 0.02 1 386 . 40 ASP CA C 53.883 0.1 1 387 . 40 ASP HA H 4.570 0.02 1 388 . 41 PHE N N 119.464 0.1 1 389 . 41 PHE H H 7.971 0.02 1 390 . 41 PHE CA C 57.519 0.1 1 391 . 41 PHE HA H 4.576 0.02 1 392 . 41 PHE CB C 39.354 0.1 1 393 . 41 PHE HB2 H 3.059 0.02 2 394 . 41 PHE HB3 H 2.966 0.02 2 395 . 41 PHE CD1 C 130.596 0.1 2 396 . 41 PHE HD1 H 7.142 0.02 2 397 . 42 VAL N N 121.578 0.1 1 398 . 42 VAL H H 8.018 0.02 1 399 . 42 VAL CA C 61.867 0.1 1 400 . 42 VAL HA H 4.082 0.02 1 401 . 42 VAL CB C 32.772 0.1 1 402 . 42 VAL HB H 2.044 0.02 1 403 . 42 VAL CG2 C 20.475 0.1 2 404 . 42 VAL HG2 H 0.910 0.02 1 405 . 42 VAL CG1 C 20.860 0.1 2 406 . 42 VAL HG1 H 0.886 0.02 1 407 . 43 CYS N N 123.237 0.1 1 408 . 43 CYS H H 8.394 0.02 1 409 . 43 CYS CA C 57.962 0.1 1 410 . 43 CYS HA H 4.518 0.02 1 411 . 43 CYS CB C 27.482 0.1 1 412 . 43 CYS HB2 H 2.899 0.02 2 413 . 43 CYS HB3 H 2.852 0.02 2 414 . 44 LYS N N 124.678 0.1 1 415 . 44 LYS H H 8.466 0.02 1 416 . 44 LYS CA C 55.801 0.1 1 417 . 44 LYS HA H 4.318 0.02 1 418 . 44 LYS CB C 32.764 0.1 1 419 . 44 LYS HB2 H 1.832 0.02 2 420 . 44 LYS HB3 H 1.734 0.02 2 421 . 44 LYS CG C 25.844 0.1 1 422 . 44 LYS HG2 H 1.486 0.02 2 423 . 44 LYS CE C 41.414 0.1 1 424 . 44 LYS HE2 H 2.924 0.02 2 425 . 45 GLN N N 122.462 0.1 1 426 . 45 GLN H H 8.530 0.02 1 427 . 45 GLN CA C 55.133 0.1 1 428 . 45 GLN HA H 4.319 0.02 1 429 . 45 GLN CB C 29.150 0.1 1 430 . 45 GLN HB2 H 2.041 0.02 2 431 . 45 GLN HB3 H 1.935 0.02 2 432 . 45 GLN CG C 33.315 0.1 1 433 . 45 GLN HG2 H 2.320 0.02 2 434 . 45 GLN NE2 N 112.675 0.1 1 435 . 45 GLN HE21 H 7.507 0.02 2 436 . 45 GLN HE22 H 6.815 0.02 2 437 . 46 GLN N N 123.221 0.1 1 438 . 46 GLN H H 8.468 0.02 1 439 . 46 GLN CA C 53.167 0.1 1 440 . 46 GLN HA H 4.595 0.02 1 441 . 46 GLN CB C 28.497 0.1 1 442 . 46 GLN HB2 H 2.092 0.02 2 443 . 46 GLN HB3 H 1.912 0.02 2 444 . 46 GLN CG C 32.954 0.1 1 445 . 46 GLN HG2 H 2.372 0.02 2 446 . 46 GLN NE2 N 112.680 0.1 1 447 . 46 GLN HE21 H 7.541 0.02 2 448 . 46 GLN HE22 H 6.873 0.02 2 449 . 47 PRO CA C 62.653 0.1 1 450 . 47 PRO HA H 4.441 0.02 1 451 . 47 PRO CB C 31.754 0.1 1 452 . 47 PRO HB2 H 2.300 0.02 2 453 . 47 PRO HB3 H 1.910 0.02 2 454 . 47 PRO CG C 26.998 0.1 1 455 . 47 PRO HG2 H 2.008 0.02 2 456 . 47 PRO CD C 50.211 0.1 1 457 . 47 PRO HD2 H 3.771 0.02 2 458 . 47 PRO HD3 H 3.656 0.02 2 459 . 48 SER N N 116.369 0.1 1 460 . 48 SER H H 8.407 0.02 1 461 . 48 SER CA C 57.809 0.1 1 462 . 48 SER HA H 4.395 0.02 1 463 . 48 SER CB C 63.152 0.1 1 464 . 48 SER HB2 H 3.844 0.02 2 465 . 49 ARG N N 123.264 0.1 1 466 . 49 ARG H H 8.362 0.02 1 467 . 49 ARG CA C 55.407 0.1 1 468 . 49 ARG HA H 4.417 0.02 1 469 . 49 ARG CB C 30.631 0.1 1 470 . 49 ARG HB2 H 1.867 0.02 2 471 . 49 ARG HB3 H 1.754 0.02 2 472 . 49 ARG CG C 26.753 0.1 1 473 . 49 ARG HG2 H 1.616 0.02 2 474 . 49 ARG CD C 42.737 0.1 1 475 . 49 ARG HD2 H 3.175 0.02 2 476 . 50 VAL N N 121.697 0.1 1 477 . 50 VAL H H 8.233 0.02 1 478 . 50 VAL CA C 61.799 0.1 1 479 . 50 VAL HA H 4.181 0.02 1 480 . 50 VAL CB C 32.423 0.1 1 481 . 50 VAL HB H 2.106 0.02 1 482 . 50 VAL CG2 C 20.785 0.1 2 483 . 50 VAL HG2 H 0.941 0.02 1 484 . 50 VAL CG1 C 19.873 0.1 2 485 . 50 VAL HG1 H 0.920 0.02 1 486 . 51 SER N N 124.873 0.1 1 487 . 51 SER H H 7.930 0.02 1 488 . 51 SER CA C 59.364 0.1 1 489 . 51 SER HA H 4.251 0.02 1 490 . 51 SER CB C 64.280 0.1 1 491 . 51 SER HB2 H 3.818 0.02 2 stop_ save_ save_shift_set_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'CBP TAZ1' _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 . 1 ALA CA C 51.665 0.1 1 2 . 1 ALA HA H 4.177 0.02 1 3 . 1 ALA CB C 19.360 0.1 1 4 . 1 ALA HB H 1.543 0.02 1 5 . 2 THR N N 111.470 0.1 1 6 . 2 THR H H 8.320 0.02 1 7 . 2 THR CA C 61.733 0.1 1 8 . 2 THR HA H 4.423 0.02 1 9 . 2 THR CB C 69.849 0.1 1 10 . 2 THR HB H 4.205 0.02 1 11 . 2 THR CG2 C 21.461 0.1 1 12 . 2 THR HG2 H 1.226 0.02 1 13 . 3 GLY N N 111.731 0.1 1 14 . 3 GLY H H 8.355 0.02 1 15 . 3 GLY CA C 44.476 0.1 1 16 . 3 GLY HA3 H 4.087 0.02 2 17 . 3 GLY HA2 H 4.158 0.02 2 18 . 4 PRO CA C 63.290 0.1 1 19 . 4 PRO HA H 4.479 0.02 1 20 . 4 PRO CB C 32.231 0.1 1 21 . 4 PRO HB2 H 2.247 0.02 2 22 . 4 PRO HB3 H 1.900 0.02 2 23 . 4 PRO CG C 27.167 0.1 1 24 . 4 PRO HG2 H 1.983 0.02 2 25 . 4 PRO CD C 49.755 0.1 1 26 . 4 PRO HD2 H 3.643 0.02 2 27 . 4 PRO HD3 H 3.593 0.02 2 28 . 5 THR N N 113.960 0.1 1 29 . 5 THR H H 8.265 0.02 1 30 . 5 THR CA C 61.768 0.1 1 31 . 5 THR HA H 4.290 0.02 1 32 . 5 THR CB C 69.704 0.1 1 33 . 5 THR HB H 4.168 0.02 1 34 . 5 THR CG2 C 21.591 0.1 1 35 . 5 THR HG2 H 1.192 0.02 1 36 . 6 ALA N N 126.443 0.1 1 37 . 6 ALA H H 8.267 0.02 1 38 . 6 ALA CA C 52.063 0.1 1 39 . 6 ALA HA H 4.298 0.02 1 40 . 6 ALA CB C 19.375 0.1 1 41 . 6 ALA HB H 1.324 0.02 1 42 . 7 ASP N N 121.679 0.1 1 43 . 7 ASP H H 8.350 0.02 1 44 . 7 ASP CA C 52.568 0.1 1 45 . 7 ASP HA H 4.836 0.02 1 46 . 7 ASP CB C 41.279 0.1 1 47 . 7 ASP HB2 H 2.799 0.02 2 48 . 7 ASP HB3 H 2.663 0.02 2 49 . 8 PRO CA C 64.788 0.1 1 50 . 8 PRO HA H 4.233 0.02 1 51 . 8 PRO CB C 32.067 0.1 1 52 . 8 PRO HB2 H 1.997 0.02 2 53 . 8 PRO HB3 H 2.355 0.02 2 54 . 8 PRO CG C 27.481 0.1 1 55 . 8 PRO HG2 H 2.080 0.02 2 56 . 8 PRO HG3 H 2.165 0.02 2 57 . 8 PRO CD C 50.918 0.1 1 58 . 8 PRO HD2 H 3.937 0.02 2 59 . 8 PRO HD3 H 3.900 0.02 2 60 . 9 GLU N N 119.230 0.1 1 61 . 9 GLU H H 8.265 0.02 1 62 . 9 GLU CA C 58.405 0.1 1 63 . 9 GLU HA H 4.171 0.02 1 64 . 9 GLU CB C 29.103 0.1 1 65 . 9 GLU HB2 H 2.118 0.02 2 66 . 9 GLU CG C 36.271 0.1 1 67 . 9 GLU HG2 H 2.346 0.02 2 68 . 9 GLU HG3 H 2.275 0.02 2 69 . 10 LYS N N 120.515 0.1 1 70 . 10 LYS H H 7.942 0.02 1 71 . 10 LYS CA C 59.157 0.1 1 72 . 10 LYS HA H 3.934 0.02 1 73 . 10 LYS CB C 32.583 0.1 1 74 . 10 LYS HB2 H 1.866 0.02 2 75 . 10 LYS HB3 H 1.798 0.02 2 76 . 10 LYS CG C 24.898 0.1 1 77 . 10 LYS HG2 H 1.469 0.02 2 78 . 10 LYS CD C 28.706 0.1 1 79 . 10 LYS HD2 H 1.629 0.02 2 80 . 10 LYS CE C 41.941 0.1 1 81 . 10 LYS HE2 H 2.940 0.02 2 82 . 11 ARG N N 117.605 0.1 1 83 . 11 ARG H H 8.067 0.02 1 84 . 11 ARG CA C 60.078 0.1 1 85 . 11 ARG HA H 3.697 0.02 1 86 . 11 ARG CB C 29.940 0.1 1 87 . 11 ARG HB2 H 1.871 0.02 2 88 . 11 ARG HB3 H 1.783 0.02 2 89 . 11 ARG CG C 27.236 0.1 1 90 . 11 ARG HG2 H 1.535 0.02 2 91 . 11 ARG HG3 H 1.417 0.02 2 92 . 11 ARG CD C 43.504 0.1 1 93 . 11 ARG HD2 H 3.071 0.02 2 94 . 12 LYS CA C 58.984 0.1 1 95 . 12 LYS HA H 4.188 0.02 1 96 . 12 LYS CB C 32.024 0.1 1 97 . 12 LYS HB2 H 1.913 0.02 2 98 . 12 LYS CG C 24.850 0.1 1 99 . 12 LYS HG2 H 1.556 0.02 2 100 . 12 LYS HG3 H 1.379 0.02 2 101 . 12 LYS CD C 29.059 0.1 1 102 . 12 LYS HD2 H 1.744 0.02 2 103 . 12 LYS CE C 41.778 0.1 1 104 . 12 LYS HE2 H 2.967 0.02 1 105 . 13 LEU N N 119.535 0.1 1 106 . 13 LEU H H 7.646 0.02 1 107 . 13 LEU CA C 57.810 0.1 1 108 . 13 LEU HA H 4.083 0.02 1 109 . 13 LEU CB C 41.367 0.1 1 110 . 13 LEU HB2 H 1.542 0.02 2 111 . 13 LEU HB3 H 2.035 0.02 2 112 . 13 LEU CG C 26.668 0.1 1 113 . 13 LEU HG H 1.971 0.02 1 114 . 13 LEU CD1 C 25.728 0.1 2 115 . 13 LEU HD1 H 0.904 0.02 1 116 . 13 LEU CD2 C 22.442 0.1 2 117 . 13 LEU HD2 H 0.874 0.02 1 118 . 14 ILE N N 120.325 0.1 1 119 . 14 ILE H H 8.063 0.02 1 120 . 14 ILE CA C 65.265 0.1 1 121 . 14 ILE HA H 3.386 0.02 1 122 . 14 ILE CB C 37.747 0.1 1 123 . 14 ILE HB H 1.936 0.02 1 124 . 14 ILE CD1 C 13.936 0.1 1 125 . 14 ILE HD1 H 0.566 0.02 1 126 . 14 ILE CG2 C 17.722 0.1 2 127 . 14 ILE HG2 H 0.769 0.02 1 128 . 15 GLN N N 120.754 0.1 1 129 . 15 GLN H H 7.926 0.02 1 130 . 15 GLN CA C 59.591 0.1 1 131 . 15 GLN HA H 3.754 0.02 1 132 . 15 GLN CB C 29.246 0.1 1 133 . 15 GLN HB2 H 1.905 0.02 2 134 . 15 GLN HB3 H 2.479 0.02 2 135 . 15 GLN CG C 34.224 0.1 1 136 . 15 GLN HG2 H 2.667 0.02 2 137 . 15 GLN HG3 H 2.561 0.02 2 138 . 15 GLN NE2 N 110.453 0.1 1 139 . 15 GLN HE21 H 7.756 0.02 2 140 . 15 GLN HE22 H 6.625 0.02 2 141 . 16 GLN N N 117.605 0.1 1 142 . 16 GLN H H 8.067 0.02 1 143 . 16 GLN CA C 59.292 0.1 1 144 . 16 GLN HA H 3.905 0.02 1 145 . 16 GLN CB C 28.690 0.1 1 146 . 16 GLN HB2 H 2.323 0.02 2 147 . 16 GLN HB3 H 1.966 0.02 2 148 . 16 GLN CG C 35.114 0.1 1 149 . 16 GLN HG2 H 2.726 0.02 2 150 . 16 GLN HG3 H 2.341 0.02 2 151 . 16 GLN NE2 N 109.467 0.1 1 152 . 16 GLN HE21 H 7.326 0.02 2 153 . 17 GLN N N 118.702 0.1 1 154 . 17 GLN H H 7.556 0.02 1 155 . 17 GLN CA C 60.226 0.1 1 156 . 17 GLN HA H 3.750 0.02 1 157 . 17 GLN CB C 31.891 0.1 1 158 . 17 GLN HB2 H 1.954 0.02 2 159 . 18 LEU N N 118.186 0.1 1 160 . 18 LEU H H 7.660 0.02 1 161 . 18 LEU CA C 58.480 0.1 1 162 . 18 LEU HA H 3.913 0.02 1 163 . 18 LEU CB C 41.026 0.1 1 164 . 18 LEU HB2 H 1.313 0.02 2 165 . 18 LEU HB3 H 2.105 0.02 2 166 . 18 LEU CG C 26.926 0.1 1 167 . 18 LEU HG H 1.035 0.02 1 168 . 18 LEU CD1 C 20.926 0.1 2 169 . 18 LEU HD1 H 0.506 0.02 1 170 . 18 LEU CD2 C 26.631 0.1 2 171 . 18 LEU HD2 H 0.812 0.02 1 172 . 19 VAL N N 118.217 0.1 1 173 . 19 VAL H H 8.223 0.02 1 174 . 19 VAL CA C 67.365 0.1 1 175 . 19 VAL HA H 3.246 0.02 1 176 . 19 VAL CB C 31.313 0.1 1 177 . 19 VAL HB H 2.041 0.02 1 178 . 19 VAL CG2 C 24.396 0.1 2 179 . 19 VAL HG2 H 0.988 0.02 1 180 . 19 VAL CG1 C 22.377 0.1 2 181 . 19 VAL HG1 H 0.784 0.02 1 182 . 20 LEU N N 116.737 0.1 1 183 . 20 LEU H H 8.508 0.02 1 184 . 20 LEU CA C 57.949 0.1 1 185 . 20 LEU HA H 3.936 0.02 1 186 . 20 LEU CB C 42.257 0.1 1 187 . 20 LEU HB2 H 1.824 0.02 2 188 . 20 LEU HB3 H 1.539 0.02 2 189 . 20 LEU CG C 27.224 0.1 1 190 . 20 LEU HG H 1.673 0.02 1 191 . 20 LEU CD1 C 24.660 0.1 2 192 . 20 LEU HD1 H 0.799 0.02 1 193 . 20 LEU CD2 C 25.135 0.1 2 194 . 20 LEU HD2 H 0.800 0.02 1 195 . 21 LEU N N 121.080 0.1 1 196 . 21 LEU H H 8.607 0.02 1 197 . 21 LEU CA C 58.716 0.1 1 198 . 21 LEU HA H 3.864 0.02 1 199 . 21 LEU CB C 43.013 0.1 1 200 . 21 LEU HB2 H 2.199 0.02 2 201 . 21 LEU HB3 H 1.208 0.02 2 202 . 21 LEU CG C 27.631 0.1 1 203 . 21 LEU HG H 1.859 0.02 1 204 . 21 LEU CD1 C 23.396 0.1 2 205 . 21 LEU HD1 H 0.986 0.02 1 206 . 21 LEU CD2 C 25.681 0.1 2 207 . 21 LEU HD2 H 0.961 0.02 1 208 . 22 LEU N N 118.902 0.1 1 209 . 22 LEU H H 8.328 0.02 1 210 . 22 LEU CA C 57.763 0.1 1 211 . 22 LEU HA H 3.871 0.02 1 212 . 22 LEU CB C 41.213 0.1 1 213 . 22 LEU HB2 H 1.732 0.02 2 214 . 22 LEU HB3 H 1.068 0.02 2 215 . 22 LEU CG C 25.968 0.1 1 216 . 22 LEU HG H 1.453 0.02 1 217 . 22 LEU CD1 C 20.947 0.1 2 218 . 22 LEU HD1 H 0.144 0.02 1 219 . 22 LEU CD2 C 25.404 0.1 2 220 . 22 LEU HD2 H -0.115 0.02 1 221 . 23 HIS N N 117.320 0.1 1 222 . 23 HIS H H 8.726 0.02 1 223 . 23 HIS CA C 60.623 0.1 1 224 . 23 HIS HA H 3.946 0.02 1 225 . 23 HIS CB C 27.449 0.1 1 226 . 23 HIS HB2 H 2.782 0.02 2 227 . 23 HIS HB3 H 3.416 0.02 2 228 . 23 HIS CD2 C 128.705 0.1 1 229 . 23 HIS HD2 H 7.163 0.02 2 230 . 23 HIS CE1 C 139.642 0.1 1 231 . 23 HIS HE1 H 7.998 0.02 1 232 . 24 ALA N N 122.181 0.1 1 233 . 24 ALA H H 9.074 0.02 1 234 . 24 ALA CA C 55.242 0.1 1 235 . 24 ALA HA H 3.972 0.02 1 236 . 24 ALA CB C 18.924 0.1 1 237 . 24 ALA HB H 1.484 0.02 1 238 . 25 HIS N N 116.663 0.1 1 239 . 25 HIS H H 8.171 0.02 1 240 . 25 HIS CA C 60.336 0.1 1 241 . 25 HIS HA H 4.035 0.02 1 242 . 25 HIS CB C 30.454 0.1 1 243 . 25 HIS HB2 H 3.134 0.02 2 244 . 25 HIS CD2 C 120.190 0.1 1 245 . 25 HIS HD2 H 6.973 0.02 2 246 . 25 HIS CE1 C 138.227 0.1 1 247 . 25 HIS HE1 H 7.785 0.02 1 248 . 26 LYS N N 117.982 0.1 1 249 . 26 LYS H H 7.255 0.02 1 250 . 26 LYS CA C 57.756 0.1 1 251 . 26 LYS HA H 3.881 0.02 1 252 . 26 LYS CG C 24.903 0.1 1 253 . 26 LYS HG2 H 1.476 0.02 2 254 . 26 LYS CE C 41.776 0.1 1 255 . 26 LYS HE2 H 2.957 0.02 2 256 . 27 CYS N N 120.130 0.1 1 257 . 27 CYS H H 8.417 0.02 1 258 . 27 CYS CA C 62.492 0.1 1 259 . 27 CYS HA H 3.709 0.02 1 260 . 27 CYS CB C 29.543 0.1 1 261 . 27 CYS HB2 H 2.041 0.02 2 262 . 27 CYS HB3 H 2.476 0.02 2 263 . 29 ARG CA C 57.808 0.1 1 264 . 29 ARG HA H 4.103 0.02 1 265 . 29 ARG CB C 29.715 0.1 1 266 . 29 ARG HB2 H 1.856 0.02 2 267 . 29 ARG HB3 H 1.763 0.02 2 268 . 29 ARG CG C 27.140 0.1 1 269 . 29 ARG HG2 H 1.579 0.02 2 270 . 29 ARG CD C 43.019 0.1 1 271 . 29 ARG HD2 H 3.104 0.02 2 272 . 30 ARG H H 8.241 0.02 1 273 . 30 ARG CA C 57.585 0.1 1 274 . 30 ARG HA H 4.203 0.02 1 275 . 30 ARG CB C 30.392 0.1 1 276 . 30 ARG HB2 H 1.894 0.02 2 277 . 30 ARG CD C 43.228 0.1 1 278 . 30 ARG HD2 H 3.230 0.02 2 279 . 31 GLU N N 119.000 0.1 1 280 . 31 GLU H H 7.938 0.02 1 281 . 31 GLU CA C 57.815 0.1 1 282 . 31 GLU HA H 4.181 0.02 1 283 . 31 GLU CB C 29.872 0.1 1 284 . 31 GLU HB2 H 2.081 0.02 2 285 . 31 GLU CG C 36.500 0.1 1 286 . 31 GLU HG2 H 2.382 0.02 2 287 . 31 GLU HG3 H 2.300 0.02 2 288 . 32 GLN N N 119.088 0.1 1 289 . 32 GLN H H 8.171 0.02 1 290 . 32 GLN CA C 56.432 0.1 1 291 . 32 GLN HA H 4.262 0.02 1 292 . 32 GLN CB C 29.035 0.1 1 293 . 32 GLN HB2 H 2.140 0.02 2 294 . 32 GLN HB3 H 2.068 0.02 2 295 . 32 GLN CG C 33.963 0.1 1 296 . 32 GLN HG2 H 2.319 0.02 2 297 . 32 GLN NE2 N 111.787 0.1 1 298 . 32 GLN HE21 H 7.492 0.02 2 299 . 32 GLN HE22 H 6.842 0.02 2 300 . 33 ALA N N 122.908 0.1 1 301 . 33 ALA H H 8.067 0.02 1 302 . 33 ALA CA C 53.249 0.1 1 303 . 33 ALA HA H 4.277 0.02 1 304 . 33 ALA CB C 18.931 0.1 1 305 . 33 ALA HB H 1.433 0.02 1 306 . 34 ASN N N 115.548 0.1 1 307 . 34 ASN H H 8.168 0.02 1 308 . 34 ASN CA C 53.132 0.1 1 309 . 34 ASN HA H 4.696 0.02 1 310 . 34 ASN CB C 38.767 0.1 1 311 . 34 ASN HB2 H 2.876 0.02 2 312 . 34 ASN ND2 N 112.344 0.1 1 313 . 34 ASN HD21 H 7.618 0.02 2 314 . 34 ASN HD22 H 6.936 0.02 2 315 . 35 GLY N N 108.994 0.1 1 316 . 35 GLY H H 8.264 0.02 1 317 . 35 GLY CA C 45.500 0.1 1 318 . 35 GLY HA3 H 3.903 0.02 2 319 . 35 GLY HA2 H 4.004 0.02 2 320 . 36 GLU N N 120.199 0.1 1 321 . 36 GLU H H 8.126 0.02 1 322 . 36 GLU CA C 55.952 0.1 1 323 . 36 GLU HA H 4.351 0.02 1 324 . 36 GLU CB C 30.358 0.1 1 325 . 36 GLU HB2 H 2.013 0.02 2 326 . 36 GLU HB3 H 1.912 0.02 2 327 . 36 GLU CG C 36.164 0.1 1 328 . 36 GLU HG2 H 2.211 0.02 2 329 . 36 GLU HG3 H 2.156 0.02 2 330 . 37 VAL N N 121.839 0.1 1 331 . 37 VAL H H 8.159 0.02 1 332 . 37 VAL CA C 62.198 0.1 1 333 . 37 VAL HA H 4.092 0.02 1 334 . 37 VAL CB C 32.665 0.1 1 335 . 37 VAL HB H 2.029 0.02 1 336 . 37 VAL CG2 C 20.671 0.1 2 337 . 37 VAL HG2 H 0.919 0.02 1 338 . 37 VAL CG1 C 21.169 0.1 2 339 . 37 VAL HG1 H 0.887 0.02 1 340 . 38 ARG N N 125.749 0.1 1 341 . 38 ARG H H 8.505 0.02 1 342 . 38 ARG CA C 55.323 0.1 1 343 . 38 ARG HA H 4.348 0.02 1 344 . 38 ARG CB C 30.997 0.1 1 345 . 38 ARG HB2 H 1.796 0.02 2 346 . 38 ARG HB3 H 1.709 0.02 2 347 . 38 ARG CD C 43.252 0.1 1 348 . 38 ARG HD2 H 3.190 0.02 2 349 . 39 ALA N N 126.684 0.1 1 350 . 39 ALA H H 8.445 0.02 1 351 . 39 ALA CA C 52.032 0.1 1 352 . 39 ALA HA H 4.234 0.02 1 353 . 39 ALA CB C 19.159 0.1 1 354 . 39 ALA HB H 1.307 0.02 1 355 . 40 CYS N N 124.296 0.1 1 356 . 40 CYS H H 8.493 0.02 1 357 . 40 CYS CA C 59.952 0.1 1 358 . 40 CYS HA H 4.294 0.02 1 359 . 40 CYS CB C 29.990 0.1 1 360 . 40 CYS HB2 H 2.812 0.02 2 361 . 41 SER N N 123.434 0.1 1 362 . 41 SER H H 8.676 0.02 1 363 . 41 SER CA C 58.058 0.1 1 364 . 41 SER HA H 4.511 0.02 1 365 . 41 SER CB C 63.670 0.1 1 366 . 41 SER HB2 H 4.023 0.02 2 367 . 41 SER HB3 H 3.830 0.02 2 368 . 42 LEU CA C 53.513 0.1 1 369 . 42 LEU HA H 4.489 0.02 1 370 . 42 LEU CB C 41.391 0.1 1 371 . 42 LEU HB2 H 1.325 0.02 2 372 . 42 LEU CG C 27.181 0.1 1 373 . 42 LEU HG H 1.476 0.02 1 374 . 42 LEU CD1 C 24.264 0.1 2 375 . 42 LEU HD1 H 0.371 0.02 1 376 . 42 LEU CD2 C 23.803 0.1 2 377 . 42 LEU HD2 H 0.388 0.02 1 378 . 43 PRO CA C 62.463 0.1 1 379 . 43 PRO HA H 4.660 0.02 1 380 . 43 PRO CB C 34.743 0.1 1 381 . 43 PRO HB2 H 2.362 0.02 2 382 . 43 PRO HB3 H 2.082 0.02 2 383 . 43 PRO CG C 24.799 0.1 1 384 . 43 PRO HG2 H 1.898 0.02 2 385 . 43 PRO HG3 H 1.811 0.02 2 386 . 43 PRO CD C 50.262 0.1 1 387 . 43 PRO HD2 H 3.561 0.02 2 388 . 43 PRO HD3 H 3.521 0.02 2 389 . 44 HIS N N 115.968 0.1 1 390 . 44 HIS H H 8.480 0.02 1 391 . 44 HIS CD2 C 117.661 0.1 1 392 . 44 HIS HD2 H 6.912 0.02 2 393 . 44 HIS CE1 C 138.346 0.1 1 394 . 44 HIS HE1 H 7.676 0.02 1 395 . 45 CYS N N 123.802 0.1 1 396 . 45 CYS H H 7.505 0.02 1 397 . 45 CYS CA C 63.910 0.1 1 398 . 45 CYS HA H 3.995 0.02 1 399 . 45 CYS CB C 29.217 0.1 1 400 . 45 CYS HB2 H 3.127 0.02 2 401 . 45 CYS HB3 H 2.741 0.02 2 402 . 46 ARG CA C 59.165 0.1 1 403 . 46 ARG HA H 3.925 0.02 1 404 . 46 ARG CB C 28.570 0.1 1 405 . 46 ARG HB2 H 1.987 0.02 2 406 . 46 ARG CG C 26.123 0.1 1 407 . 46 ARG HG2 H 1.769 0.02 2 408 . 46 ARG HG3 H 1.687 0.02 2 409 . 46 ARG CD C 42.556 0.1 1 410 . 46 ARG HD2 H 3.287 0.02 2 411 . 46 ARG HD3 H 3.250 0.02 2 412 . 47 THR N N 112.185 0.1 1 413 . 47 THR H H 7.815 0.02 1 414 . 47 THR CA C 65.940 0.1 1 415 . 47 THR HA H 3.939 0.02 1 416 . 47 THR CB C 68.306 0.1 1 417 . 47 THR HB H 4.327 0.02 1 418 . 47 THR CG2 C 21.892 0.1 1 419 . 47 THR HG2 H 1.234 0.02 1 420 . 48 MET N N 114.493 0.1 1 421 . 48 MET H H 7.465 0.02 1 422 . 48 MET CA C 56.731 0.1 1 423 . 48 MET HA H 4.509 0.02 1 424 . 48 MET CB C 32.210 0.1 1 425 . 48 MET HB2 H 2.213 0.02 2 426 . 48 MET HB3 H 1.838 0.02 2 427 . 48 MET CG C 33.836 0.1 1 428 . 48 MET HG2 H 2.586 0.02 2 429 . 48 MET CE C 18.180 0.1 1 430 . 48 MET HE H 1.614 0.02 1 431 . 49 LYS N N 122.495 0.1 1 432 . 49 LYS H H 9.267 0.02 1 433 . 49 LYS CA C 61.116 0.1 1 434 . 49 LYS HA H 3.873 0.02 1 435 . 49 LYS CB C 32.835 0.1 1 436 . 49 LYS HB2 H 2.042 0.02 2 437 . 49 LYS CG C 27.454 0.1 1 438 . 49 LYS HG2 H 1.209 0.02 2 439 . 49 LYS CD C 30.070 0.1 1 440 . 49 LYS HD2 H 1.648 0.02 2 441 . 49 LYS CE C 42.003 0.1 1 442 . 49 LYS HE2 H 3.210 0.02 2 443 . 49 LYS HE3 H 2.752 0.02 2 444 . 50 ASN N N 117.680 0.1 1 445 . 50 ASN H H 8.151 0.02 1 446 . 50 ASN CA C 55.881 0.1 1 447 . 50 ASN HA H 4.582 0.02 1 448 . 50 ASN CB C 37.205 0.1 1 449 . 50 ASN HB2 H 3.183 0.02 2 450 . 50 ASN HB3 H 2.933 0.02 2 451 . 50 ASN ND2 N 112.210 0.1 1 452 . 50 ASN HD21 H 6.968 0.02 2 453 . 50 ASN HD22 H 7.815 0.02 2 454 . 51 VAL N N 124.262 0.1 1 455 . 51 VAL H H 8.058 0.02 1 456 . 51 VAL CA C 67.122 0.1 1 457 . 51 VAL HA H 3.775 0.02 1 458 . 51 VAL CB C 31.594 0.1 1 459 . 51 VAL HB H 2.411 0.02 1 460 . 51 VAL CG2 C 21.055 0.1 2 461 . 51 VAL HG2 H 0.989 0.02 1 462 . 51 VAL CG1 C 23.602 0.1 2 463 . 51 VAL HG1 H 1.215 0.02 1 464 . 52 LEU N N 121.524 0.1 1 465 . 52 LEU H H 8.688 0.02 1 466 . 52 LEU CA C 58.343 0.1 1 467 . 52 LEU HA H 4.092 0.02 1 468 . 52 LEU CB C 41.352 0.1 1 469 . 52 LEU HB2 H 2.013 0.02 2 470 . 52 LEU HB3 H 1.500 0.02 2 471 . 52 LEU CG C 26.964 0.1 1 472 . 52 LEU HG H 1.825 0.02 1 473 . 52 LEU CD1 C 23.023 0.1 2 474 . 52 LEU HD1 H 0.873 0.02 1 475 . 52 LEU CD2 C 25.499 0.1 2 476 . 52 LEU HD2 H 0.829 0.02 1 477 . 53 ASN N N 117.301 0.1 1 478 . 53 ASN H H 8.215 0.02 1 479 . 53 ASN CA C 55.989 0.1 1 480 . 53 ASN HA H 4.528 0.02 1 481 . 53 ASN CB C 38.165 0.1 1 482 . 53 ASN HB2 H 2.952 0.02 2 483 . 53 ASN ND2 N 112.692 0.1 1 484 . 53 ASN HD21 H 7.801 0.02 2 485 . 53 ASN HD22 H 7.102 0.02 2 486 . 54 HIS N N 120.859 0.1 1 487 . 54 HIS H H 8.160 0.02 1 488 . 54 HIS CA C 59.403 0.1 1 489 . 54 HIS HA H 4.347 0.02 1 490 . 54 HIS CB C 27.478 0.1 1 491 . 54 HIS HB2 H 3.414 0.02 2 492 . 54 HIS HB3 H 3.641 0.02 2 493 . 54 HIS CD2 C 128.817 0.1 1 494 . 54 HIS HD2 H 7.379 0.02 2 495 . 54 HIS CE1 C 139.202 0.1 1 496 . 54 HIS HE1 H 8.042 0.02 1 497 . 55 MET N N 119.333 0.1 1 498 . 55 MET H H 9.138 0.02 1 499 . 55 MET CA C 59.374 0.1 1 500 . 55 MET HA H 3.700 0.02 1 501 . 55 MET CB C 34.196 0.1 1 502 . 55 MET HB2 H 2.161 0.02 2 503 . 55 MET HB3 H 2.409 0.02 2 504 . 55 MET CG C 31.861 0.1 1 505 . 55 MET HG2 H 2.923 0.02 2 506 . 55 MET HG3 H 2.870 0.02 2 507 . 55 MET CE C 16.506 0.1 1 508 . 55 MET HE H 1.994 0.02 1 509 . 56 THR N N 110.647 0.1 1 510 . 56 THR H H 7.532 0.02 1 511 . 56 THR CA C 65.080 0.1 1 512 . 56 THR HA H 3.916 0.02 1 513 . 56 THR CB C 69.187 0.1 1 514 . 56 THR HB H 4.016 0.02 1 515 . 56 THR CG2 C 21.402 0.1 1 516 . 56 THR HG2 H 1.110 0.02 1 517 . 57 HIS N N 115.672 0.1 1 518 . 57 HIS H H 7.076 0.02 1 519 . 57 HIS CA C 54.646 0.1 1 520 . 57 HIS HA H 4.840 0.02 1 521 . 57 HIS CB C 29.899 0.1 1 522 . 57 HIS HB2 H 3.043 0.02 2 523 . 57 HIS HB3 H 3.368 0.02 2 524 . 57 HIS CD2 C 120.639 0.1 1 525 . 57 HIS HD2 H 7.269 0.02 2 526 . 57 HIS CE1 C 136.888 0.1 1 527 . 57 HIS HE1 H 8.270 0.02 1 528 . 58 CYS N N 124.102 0.1 1 529 . 58 CYS H H 7.140 0.02 1 530 . 58 CYS CA C 60.571 0.1 1 531 . 58 CYS HA H 4.026 0.02 1 532 . 58 CYS CB C 29.589 0.1 1 533 . 58 CYS HB2 H 2.488 0.02 2 534 . 58 CYS HB3 H 1.942 0.02 2 535 . 59 GLN N N 129.013 0.1 1 536 . 59 GLN H H 9.156 0.02 1 537 . 59 GLN CA C 54.969 0.1 1 538 . 59 GLN HA H 4.666 0.02 1 539 . 59 GLN CB C 29.413 0.1 1 540 . 59 GLN HB2 H 2.437 0.02 2 541 . 59 GLN HB3 H 1.870 0.02 2 542 . 59 GLN CG C 33.636 0.1 1 543 . 59 GLN HG2 H 2.431 0.02 2 544 . 59 GLN HG3 H 2.375 0.02 2 545 . 59 GLN NE2 N 112.670 0.1 1 546 . 60 ALA N N 125.172 0.1 1 547 . 60 ALA H H 8.701 0.02 1 548 . 60 ALA CA C 53.032 0.1 1 549 . 60 ALA HA H 4.385 0.02 1 550 . 60 ALA CB C 19.673 0.1 1 551 . 60 ALA HB H 1.440 0.02 1 552 . 61 GLY N N 108.496 0.1 1 553 . 61 GLY H H 8.175 0.02 1 554 . 61 GLY CA C 46.094 0.1 1 555 . 61 GLY HA3 H 3.582 0.02 2 556 . 61 GLY HA2 H 3.940 0.02 2 557 . 62 LYS N N 126.055 0.1 1 558 . 62 LYS H H 9.040 0.02 1 559 . 62 LYS CA C 58.283 0.1 1 560 . 62 LYS HA H 4.096 0.02 1 561 . 62 LYS CB C 32.054 0.1 1 562 . 62 LYS HB2 H 1.854 0.02 2 563 . 62 LYS CE C 41.778 0.1 1 564 . 62 LYS HE2 H 2.967 0.02 2 565 . 63 ALA N N 119.803 0.1 1 566 . 63 ALA H H 7.693 0.02 1 567 . 63 ALA CA C 51.357 0.1 1 568 . 63 ALA HA H 4.473 0.02 1 569 . 63 ALA CB C 18.782 0.1 1 570 . 63 ALA HB H 1.480 0.02 1 571 . 64 CYS N N 122.359 0.1 1 572 . 64 CYS H H 7.534 0.02 1 573 . 64 CYS CA C 62.428 0.1 1 574 . 64 CYS HA H 3.852 0.02 1 575 . 64 CYS CB C 29.632 0.1 1 576 . 64 CYS HB2 H 2.898 0.02 2 577 . 64 CYS HB3 H 2.855 0.02 2 578 . 65 GLN N N 129.804 0.1 1 579 . 65 GLN H H 9.102 0.02 1 580 . 65 GLN CA C 55.562 0.1 1 581 . 65 GLN HA H 4.564 0.02 1 582 . 65 GLN CB C 29.246 0.1 1 583 . 65 GLN HB2 H 1.919 0.02 2 584 . 65 GLN HB3 H 2.453 0.02 2 585 . 65 GLN CG C 33.964 0.1 1 586 . 65 GLN HG2 H 2.470 0.02 2 587 . 65 GLN HG3 H 2.393 0.02 2 588 . 65 GLN NE2 N 113.178 0.1 1 589 . 65 GLN HE21 H 7.404 0.02 2 590 . 65 GLN HE22 H 6.776 0.02 2 591 . 66 VAL N N 127.207 0.1 1 592 . 66 VAL H H 9.343 0.02 1 593 . 66 VAL CA C 64.047 0.1 1 594 . 66 VAL HA H 3.684 0.02 1 595 . 66 VAL CB C 30.928 0.1 1 596 . 66 VAL HB H 1.964 0.02 1 597 . 66 VAL CG2 C 22.665 0.1 2 598 . 66 VAL HG2 H 0.640 0.02 1 599 . 66 VAL CG1 C 20.004 0.1 2 600 . 66 VAL HG1 H 0.445 0.02 1 601 . 67 ALA N N 134.300 0.1 1 602 . 67 ALA H H 8.725 0.02 1 603 . 67 ALA CA C 54.020 0.1 1 604 . 67 ALA HA H 3.591 0.02 1 605 . 67 ALA CB C 17.446 0.1 1 606 . 67 ALA HB H 0.879 0.02 1 607 . 68 HIS N N 111.424 0.1 1 608 . 68 HIS H H 7.958 0.02 1 609 . 68 HIS CA C 56.954 0.1 1 610 . 68 HIS HA H 4.289 0.02 1 611 . 68 HIS CB C 29.779 0.1 1 612 . 68 HIS HB2 H 3.688 0.02 2 613 . 68 HIS HB3 H 2.767 0.02 2 614 . 68 HIS CD2 C 117.829 0.1 1 615 . 68 HIS HD2 H 6.573 0.02 2 616 . 68 HIS CE1 C 138.449 0.1 1 617 . 68 HIS HE1 H 7.497 0.02 1 618 . 69 CYS N N 126.770 0.1 1 619 . 69 CYS H H 7.981 0.02 1 620 . 69 CYS CA C 64.148 0.1 1 621 . 69 CYS HA H 4.094 0.02 1 622 . 69 CYS CB C 29.784 0.1 1 623 . 69 CYS HB2 H 3.329 0.02 2 624 . 69 CYS HB3 H 2.527 0.02 2 625 . 70 ALA N N 119.437 0.1 1 626 . 70 ALA H H 8.930 0.02 1 627 . 70 ALA CA C 55.284 0.1 1 628 . 70 ALA HA H 4.253 0.02 1 629 . 70 ALA CB C 18.934 0.1 1 630 . 70 ALA HB H 1.511 0.02 1 631 . 71 SER N N 114.706 0.1 1 632 . 71 SER H H 9.203 0.02 1 633 . 71 SER CB C 61.189 0.1 1 634 . 71 SER HB2 H 4.002 0.02 2 635 . 71 SER HB3 H 3.634 0.02 2 636 . 72 SER N N 120.838 0.1 1 637 . 72 SER H H 7.828 0.02 1 638 . 72 SER CA C 63.870 0.1 1 639 . 72 SER HA H 4.040 0.02 1 640 . 72 SER CB C 62.156 0.1 1 641 . 72 SER HB2 H 3.603 0.02 2 642 . 72 SER HB3 H 4.441 0.02 2 643 . 73 ARG N N 123.008 0.1 1 644 . 73 ARG H H 8.876 0.02 1 645 . 73 ARG CA C 60.248 0.1 1 646 . 73 ARG HA H 3.817 0.02 1 647 . 73 ARG CB C 30.192 0.1 1 648 . 73 ARG HB2 H 2.070 0.02 2 649 . 73 ARG HB3 H 1.935 0.02 2 650 . 73 ARG CD C 43.194 0.1 1 651 . 73 ARG HD2 H 3.318 0.02 2 652 . 73 ARG HD3 H 3.130 0.02 2 653 . 74 GLN N N 118.369 0.1 1 654 . 74 GLN H H 7.920 0.02 1 655 . 74 GLN CA C 58.835 0.1 1 656 . 74 GLN HA H 4.129 0.02 1 657 . 75 ILE N N 121.922 0.1 1 658 . 75 ILE H H 8.606 0.02 1 659 . 75 ILE CA C 66.563 0.1 1 660 . 75 ILE HA H 3.669 0.02 1 661 . 75 ILE CB C 38.722 0.1 1 662 . 75 ILE HB H 1.836 0.02 1 663 . 75 ILE CG1 C 30.474 0.1 2 664 . 75 ILE HG12 H 2.096 0.02 9 665 . 75 ILE CD1 C 14.013 0.1 1 666 . 75 ILE HD1 H 0.763 0.02 1 667 . 75 ILE CG2 C 19.055 0.1 2 668 . 75 ILE HG2 H 0.880 0.02 1 669 . 76 ILE N N 120.210 0.1 1 670 . 76 ILE H H 8.875 0.02 1 671 . 76 ILE CA C 64.744 0.1 1 672 . 76 ILE HA H 3.824 0.02 1 673 . 76 ILE CB C 37.193 0.1 1 674 . 76 ILE HB H 1.923 0.02 1 675 . 76 ILE CG1 C 29.312 0.1 2 676 . 76 ILE HG12 H 1.707 0.02 9 677 . 76 ILE HG13 H 1.177 0.02 9 678 . 76 ILE CD1 C 12.667 0.1 1 679 . 76 ILE HD1 H 0.749 0.02 1 680 . 76 ILE CG2 C 17.768 0.1 2 681 . 76 ILE HG2 H 0.942 0.02 1 682 . 77 SER N N 114.453 0.1 1 683 . 77 SER H H 7.967 0.02 1 684 . 77 SER CA C 61.843 0.1 1 685 . 77 SER HA H 4.105 0.02 1 686 . 77 SER CB C 62.551 0.1 1 687 . 77 SER HB2 H 4.000 0.02 2 688 . 77 SER HB3 H 3.945 0.02 2 689 . 78 HIS N N 118.696 0.1 1 690 . 78 HIS H H 8.022 0.02 1 691 . 78 HIS CA C 60.330 0.1 1 692 . 78 HIS HA H 4.007 0.02 1 693 . 78 HIS CB C 27.720 0.1 1 694 . 78 HIS HB2 H 3.302 0.02 2 695 . 78 HIS HB3 H 2.814 0.02 2 696 . 78 HIS CD2 C 127.339 0.1 1 697 . 78 HIS HD2 H 6.618 0.02 2 698 . 78 HIS CE1 C 139.694 0.1 1 699 . 78 HIS HE1 H 8.136 0.02 1 700 . 79 TRP N N 119.618 0.1 1 701 . 79 TRP H H 8.472 0.02 1 702 . 79 TRP CA C 61.747 0.1 1 703 . 79 TRP HA H 4.654 0.02 1 704 . 79 TRP CB C 30.147 0.1 1 705 . 79 TRP HB2 H 3.160 0.02 2 706 . 79 TRP CD1 C 126.293 0.1 2 707 . 79 TRP HD1 H 7.140 0.02 1 708 . 79 TRP NE1 N 129.194 0.1 1 709 . 79 TRP HE1 H 10.091 0.02 2 710 . 79 TRP CZ2 C 114.186 0.1 2 711 . 79 TRP HZ2 H 7.353 0.02 2 712 . 79 TRP CH2 C 123.925 0.1 1 713 . 79 TRP HH2 H 6.980 0.02 1 714 . 80 LYS N N 115.306 0.1 1 715 . 80 LYS H H 8.393 0.02 1 716 . 80 LYS CB C 32.787 0.1 1 717 . 80 LYS HB2 H 1.773 0.02 2 718 . 80 LYS HB3 H 1.735 0.02 2 719 . 80 LYS CG C 25.653 0.1 1 720 . 80 LYS HG2 H 1.700 0.02 2 721 . 80 LYS HG3 H 1.418 0.02 2 722 . 80 LYS CD C 29.308 0.1 1 723 . 80 LYS HD2 H 1.633 0.02 2 724 . 80 LYS CE C 41.580 0.1 1 725 . 80 LYS HE2 H 2.899 0.02 2 726 . 81 ASN N N 113.879 0.1 1 727 . 81 ASN H H 7.175 0.02 1 728 . 81 ASN CA C 53.154 0.1 1 729 . 81 ASN HA H 4.664 0.02 1 730 . 81 ASN CB C 40.759 0.1 1 731 . 81 ASN HB2 H 2.664 0.02 2 732 . 81 ASN HB3 H 2.523 0.02 2 733 . 81 ASN ND2 N 115.214 0.1 1 734 . 81 ASN HD21 H 7.714 0.02 2 735 . 81 ASN HD22 H 6.944 0.02 2 736 . 82 CYS N N 124.545 0.1 1 737 . 82 CYS H H 7.431 0.02 1 738 . 82 CYS CA C 61.173 0.1 1 739 . 82 CYS HA H 3.976 0.02 1 740 . 82 CYS CB C 28.180 0.1 1 741 . 82 CYS HB2 H 2.726 0.02 2 742 . 82 CYS HB3 H 1.910 0.02 2 743 . 83 THR CA C 60.272 0.1 1 744 . 83 THR HA H 4.506 0.02 1 745 . 83 THR CB C 69.306 0.1 1 746 . 83 THR HB H 4.481 0.02 1 747 . 83 THR CG2 C 21.131 0.1 1 748 . 83 THR HG2 H 1.080 0.02 1 749 . 84 ARG CA C 55.904 0.1 1 750 . 84 ARG HA H 4.421 0.02 1 751 . 84 ARG CB C 31.460 0.1 1 752 . 84 ARG HB2 H 1.924 0.02 2 753 . 84 ARG HB3 H 1.838 0.02 2 754 . 84 ARG CD C 43.652 0.1 1 755 . 84 ARG HD2 H 3.317 0.02 2 756 . 84 ARG HD3 H 3.176 0.02 2 757 . 85 HIS CA C 58.291 0.1 1 758 . 85 HIS HA H 4.336 0.02 1 759 . 85 HIS CB C 29.163 0.1 1 760 . 85 HIS HB2 H 3.174 0.02 2 761 . 85 HIS CD2 C 119.257 0.1 1 762 . 85 HIS HD2 H 7.172 0.02 2 763 . 85 HIS CE1 C 137.763 0.1 1 764 . 85 HIS HE1 H 8.025 0.02 1 765 . 86 ASP CA C 51.738 0.1 1 766 . 86 ASP HA H 4.474 0.02 1 767 . 86 ASP CB C 39.311 0.1 1 768 . 86 ASP HB2 H 2.255 0.02 2 769 . 86 ASP HB3 H 2.812 0.02 2 770 . 87 CYS N N 122.599 0.1 1 771 . 87 CYS H H 7.041 0.02 1 772 . 87 CYS CA C 62.972 0.1 1 773 . 87 CYS HA H 4.175 0.02 1 774 . 87 CYS CB C 31.076 0.1 1 775 . 87 CYS HB2 H 2.870 0.02 2 776 . 88 PRO CA C 64.359 0.1 1 777 . 88 PRO HA H 4.365 0.02 1 778 . 88 PRO CB C 32.503 0.1 1 779 . 88 PRO HB2 H 2.323 0.02 2 780 . 88 PRO HB3 H 1.755 0.02 2 781 . 88 PRO CD C 51.071 0.1 1 782 . 88 PRO HD2 H 4.150 0.02 2 783 . 89 VAL N N 120.050 0.1 1 784 . 89 VAL H H 8.402 0.02 1 785 . 89 VAL CA C 66.138 0.1 1 786 . 89 VAL HA H 3.712 0.02 1 787 . 89 VAL CB C 32.895 0.1 1 788 . 89 VAL HB H 2.165 0.02 1 789 . 89 VAL CG2 C 21.573 0.1 2 790 . 89 VAL HG2 H 0.917 0.02 1 791 . 89 VAL CG1 C 22.902 0.1 2 792 . 89 VAL HG1 H 0.836 0.02 1 793 . 90 CYS N N 118.937 0.1 1 794 . 90 CYS H H 8.472 0.02 1 795 . 90 CYS CA C 62.981 0.1 1 796 . 90 CYS HA H 4.199 0.02 1 797 . 90 CYS CB C 31.081 0.1 1 798 . 90 CYS HB2 H 2.912 0.02 2 799 . 90 CYS HB3 H 3.218 0.02 2 800 . 91 LEU N N 119.993 0.1 1 801 . 91 LEU H H 7.810 0.02 1 802 . 91 LEU CA C 60.177 0.1 1 803 . 91 LEU HA H 4.170 0.02 1 804 . 91 LEU CB C 39.639 0.1 1 805 . 91 LEU HB2 H 1.857 0.02 2 806 . 91 LEU HB3 H 1.688 0.02 2 807 . 91 LEU CG C 26.841 0.1 1 808 . 91 LEU HG H 1.600 0.02 1 809 . 91 LEU CD1 C 24.033 0.1 2 810 . 91 LEU HD1 H 0.867 0.02 1 811 . 91 LEU CD2 C 25.205 0.1 2 812 . 91 LEU HD2 H 0.851 0.02 1 813 . 92 PRO CA C 65.617 0.1 1 814 . 92 PRO HA H 4.378 0.02 1 815 . 92 PRO CB C 31.030 0.1 1 816 . 92 PRO HB2 H 2.368 0.02 2 817 . 92 PRO HB3 H 1.600 0.02 2 818 . 92 PRO CG C 28.315 0.1 1 819 . 92 PRO HG2 H 1.968 0.02 2 820 . 92 PRO HG3 H 1.829 0.02 2 821 . 92 PRO CD C 49.716 0.1 1 822 . 92 PRO HD2 H 3.559 0.02 2 823 . 93 LEU N N 119.525 0.1 1 824 . 93 LEU H H 8.511 0.02 1 825 . 93 LEU CA C 56.606 0.1 1 826 . 93 LEU HA H 4.196 0.02 1 827 . 93 LEU CB C 42.151 0.1 1 828 . 93 LEU HB2 H 2.107 0.02 2 829 . 93 LEU HB3 H 1.752 0.02 2 830 . 93 LEU CG C 28.813 0.1 1 831 . 93 LEU HG H 1.496 0.02 1 832 . 93 LEU CD1 C 25.202 0.1 2 833 . 93 LEU HD1 H 0.600 0.02 1 834 . 93 LEU CD2 C 25.554 0.1 2 835 . 93 LEU HD2 H 0.772 0.02 1 836 . 94 LYS N N 119.642 0.1 1 837 . 94 LYS H H 7.948 0.02 1 838 . 94 LYS CA C 57.817 0.1 1 839 . 94 LYS HA H 4.248 0.02 1 840 . 95 ASN N N 117.779 0.1 1 841 . 95 ASN H H 8.505 0.02 1 842 . 95 ASN CA C 53.788 0.1 1 843 . 95 ASN HA H 4.688 0.02 1 844 . 95 ASN CB C 38.530 0.1 1 845 . 95 ASN HB2 H 2.865 0.02 2 846 . 95 ASN HB3 H 2.743 0.02 2 847 . 95 ASN ND2 N 111.811 0.1 1 848 . 95 ASN HD21 H 7.642 0.02 2 849 . 95 ASN HD22 H 6.874 0.02 2 850 . 96 ALA N N 122.741 0.1 1 851 . 96 ALA H H 7.856 0.02 1 852 . 96 ALA CA C 53.344 0.1 1 853 . 96 ALA HA H 4.308 0.02 1 854 . 96 ALA CB C 19.001 0.1 1 855 . 96 ALA HB H 1.484 0.02 1 856 . 97 SER N N 113.074 0.1 1 857 . 97 SER H H 8.050 0.02 1 858 . 97 SER CA C 58.854 0.1 1 859 . 97 SER HA H 4.457 0.02 1 860 . 97 SER CB C 63.901 0.1 1 861 . 97 SER HB2 H 3.987 0.02 2 862 . 97 SER HB3 H 3.913 0.02 2 863 . 98 ASP N N 121.831 0.1 1 864 . 98 ASP H H 8.176 0.02 1 865 . 98 ASP CA C 54.369 0.1 1 866 . 98 ASP HA H 4.634 0.02 1 867 . 98 ASP CB C 40.986 0.1 1 868 . 98 ASP HB2 H 2.729 0.02 2 869 . 98 ASP HB3 H 2.681 0.02 2 870 . 99 LYS N N 121.661 0.1 1 871 . 99 LYS H H 8.051 0.02 1 872 . 99 LYS CA C 56.128 0.1 1 873 . 99 LYS HA H 4.329 0.02 1 874 . 99 LYS CB C 32.522 0.1 1 875 . 99 LYS HB2 H 1.744 0.02 2 876 . 99 LYS HB3 H 1.876 0.02 2 877 . 99 LYS CG C 24.587 0.1 1 878 . 99 LYS HG2 H 1.449 0.02 2 879 . 99 LYS HG3 H 1.395 0.02 2 880 . 99 LYS CD C 28.819 0.1 1 881 . 99 LYS HD2 H 1.647 0.02 2 882 . 99 LYS CE C 41.886 0.1 1 883 . 99 LYS HE2 H 2.961 0.02 2 884 . 100 ARG N N 127.695 0.1 1 885 . 100 ARG H H 7.916 0.02 1 886 . 100 ARG CA C 57.331 0.1 1 887 . 100 ARG HA H 4.147 0.02 1 888 . 100 ARG CB C 31.399 0.1 1 889 . 100 ARG HB2 H 1.843 0.02 2 890 . 100 ARG HB3 H 1.719 0.02 2 891 . 100 ARG CG C 27.064 0.1 1 892 . 100 ARG HG2 H 1.585 0.02 2 893 . 100 ARG CD C 43.255 0.1 1 894 . 100 ARG HD2 H 3.164 0.02 2 stop_ save_