data_15944 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structural Basis for the Regulation of p53 Function by p300 ; _BMRB_accession_number 15944 _BMRB_flat_file_name bmr15944.str _Entry_type original _Submission_date 2008-09-08 _Accession_date 2008-09-08 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'The structure of p53(1-39) and p300 complex was determined by NMR.' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bai Yawen . . 2 Feng Hanqiao . . 3 Jenkins Lisa M. . 4 Durell Stewart R. . 5 Wiodawer Alex . . 6 Appella Ettore . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 649 "13C chemical shifts" 506 "15N chemical shifts" 111 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-02 update BMRB 'edit assembly name' 2009-03-12 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural Basis for p300 Taz2-p53 TAD1 Binding and Modulation by Phosphorylation' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19217391 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Feng Hanqiao . . 2 'Miller Jenkins' Lisa M. . 3 Durell Stewart R. . 4 Hayashi Ryo . . 5 Mazur Sharlyn J. . 6 Cherry Scott . . 7 Tropea Joseph E. . 8 Miller Maria . . 9 Wlodawer Alexander . . 10 Appella Ettore . . 11 Bai Yawen . . stop_ _Journal_abbreviation Structure _Journal_volume 17 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 202 _Page_last 210 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Taz2-p53 TAD1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label TAZ2 $TAZ2 TAD(1-39) $TAD(1-39) 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_TAZ2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common TAZ2 _Molecular_mass 9963.838 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 90 _Mol_residue_sequence ; ATQSPGDSRRLSIQRAIQSL VHAAQCRNANCSLPSCQKMK RVVQHTKGCKRKTNGGCPIC KQLIALAAYHAKHCQENKCP VPFCLNIKQK ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 THR 3 GLN 4 SER 5 PRO 6 GLY 7 ASP 8 SER 9 ARG 10 ARG 11 LEU 12 SER 13 ILE 14 GLN 15 ARG 16 ALA 17 ILE 18 GLN 19 SER 20 LEU 21 VAL 22 HIS 23 ALA 24 ALA 25 GLN 26 CYS 27 ARG 28 ASN 29 ALA 30 ASN 31 CYS 32 SER 33 LEU 34 PRO 35 SER 36 CYS 37 GLN 38 LYS 39 MET 40 LYS 41 ARG 42 VAL 43 VAL 44 GLN 45 HIS 46 THR 47 LYS 48 GLY 49 CYS 50 LYS 51 ARG 52 LYS 53 THR 54 ASN 55 GLY 56 GLY 57 CYS 58 PRO 59 ILE 60 CYS 61 LYS 62 GLN 63 LEU 64 ILE 65 ALA 66 LEU 67 ALA 68 ALA 69 TYR 70 HIS 71 ALA 72 LYS 73 HIS 74 CYS 75 GLN 76 GLU 77 ASN 78 LYS 79 CYS 80 PRO 81 VAL 82 PRO 83 PHE 84 CYS 85 LEU 86 ASN 87 ILE 88 LYS 89 GLN 90 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-04-25 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 25484 Taz2_domain_of_Histone_Acetyltransferase_p300 100.00 90 100.00 100.00 5.20e-57 PDB 2K8F "Structural Basis For The Regulation Of P53 Function By P300" 100.00 90 100.00 100.00 5.20e-57 PDB 2MH0 "Solution Nmr Structure Of The P300 Taz2:etad1 Complex" 100.00 92 100.00 100.00 4.74e-57 PDB 2MZD "Characterization Of The P300 Taz2-p53 Tad2 Complex And Comparison With The P300 Taz2-p53 Tad1 Complex" 100.00 90 100.00 100.00 5.20e-57 PDB 3IO2 "Crystal Structure Of The Taz2 Domain Of P300" 100.00 114 100.00 100.00 1.89e-57 PDB 3T92 "Crystal Structure Of The Taz2:c/ebpepsilon-tad Chimera Protein" 100.00 121 100.00 100.00 7.48e-58 stop_ save_ save_TAD(1-39) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common TAD(1-39) _Molecular_mass 4351.815 _Mol_thiol_state 'all free' _Details . _Residue_count 39 _Mol_residue_sequence ; MEEPQSDPSVEPPLSQETFS DLWKLLPENNVLSPLPSQA ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLU 3 GLU 4 PRO 5 GLN 6 SER 7 ASP 8 PRO 9 SER 10 VAL 11 GLU 12 PRO 13 PRO 14 LEU 15 SER 16 GLN 17 GLU 18 THR 19 PHE 20 SER 21 ASP 22 LEU 23 TRP 24 LYS 25 LEU 26 LEU 27 PRO 28 GLU 29 ASN 30 ASN 31 VAL 32 LEU 33 SER 34 PRO 35 LEU 36 PRO 37 SER 38 GLN 39 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 17073 TAD 69.23 49 100.00 100.00 3.83e-08 BMRB 17760 p53_TAD 100.00 93 100.00 100.00 4.91e-16 BMRB 18709 entity_2 100.00 93 100.00 100.00 4.91e-16 PDB 2GS0 "Nmr Structure Of The Complex Between The Ph Domain Of The Tfb1 Subunit From Tfiih And The Activation Domain Of P53" 51.28 54 100.00 100.00 3.12e-03 PDB 2K8F "Structural Basis For The Regulation Of P53 Function By P300" 100.00 39 100.00 100.00 1.58e-16 PDB 2L14 "Structure Of Cbp Nuclear Coactivator Binding Domain In Complex With P53 Tad" 69.23 49 100.00 100.00 3.83e-08 PDB 2LY4 "Hmgb1-Facilitated P53 Dna Binding Occurs Via Hmg-BoxP53 Transactivation Domain Interaction And Is Regulated By The Acidic Tail" 100.00 93 100.00 100.00 4.91e-16 PDB 3DAC "Structure Of The Human Mdmx Protein Bound To The P53 Tumor Suppressor Transactivation Domain" 53.85 21 100.00 100.00 2.79e-04 DBJ BAC16799 "P53 [Homo sapiens]" 100.00 393 100.00 100.00 7.16e-16 DBJ BAG35463 "unnamed protein product [Homo sapiens]" 100.00 393 100.00 100.00 7.85e-16 DBJ BAG59884 "unnamed protein product [Homo sapiens]" 100.00 368 100.00 100.00 4.43e-16 DBJ BAG60244 "unnamed protein product [Homo sapiens]" 100.00 383 100.00 100.00 7.34e-16 DBJ BAI45431 "tumor protein p53 [synthetic construct]" 100.00 393 100.00 100.00 7.85e-16 EMBL CAA26306 "unnamed protein product [Homo sapiens]" 100.00 393 100.00 100.00 8.18e-16 EMBL CAA34420 "unnamed protein product [Chlorocebus aethiops]" 100.00 393 97.44 100.00 1.11e-15 EMBL CAA38095 "protein p53 [Homo sapiens]" 100.00 393 100.00 100.00 7.85e-16 EMBL CAA42625 "p53 transformation suppressor [Homo sapiens]" 100.00 245 100.00 100.00 7.60e-16 EMBL CAA42626 "p53 transformation suppressor [Homo sapiens]" 100.00 393 100.00 100.00 7.85e-16 GB AAA17994 "p53 [Macaca mulatta]" 100.00 393 97.44 100.00 1.23e-15 GB AAA59987 "phosphoprotein p53 [Homo sapiens]" 100.00 393 100.00 100.00 7.85e-16 GB AAA59988 "phosphoprotein p53 [Homo sapiens]" 100.00 393 100.00 100.00 8.18e-16 GB AAA59989 "p53 cellular tumor antigen [Homo sapiens]" 100.00 393 100.00 100.00 8.44e-16 GB AAA61211 "p53 antigen [Homo sapiens]" 100.00 393 100.00 100.00 7.85e-16 PRF 2006287A "p53 protein" 100.00 393 97.44 100.00 1.23e-15 REF NP_000537 "cellular tumor antigen p53 isoform a [Homo sapiens]" 100.00 393 100.00 100.00 8.18e-16 REF NP_001040616 "cellular tumor antigen p53 [Macaca mulatta]" 100.00 393 97.44 100.00 1.23e-15 REF NP_001119584 "cellular tumor antigen p53 isoform a [Homo sapiens]" 100.00 393 100.00 100.00 8.18e-16 REF NP_001119585 "cellular tumor antigen p53 isoform c [Homo sapiens]" 100.00 346 100.00 100.00 1.08e-15 REF NP_001119586 "cellular tumor antigen p53 isoform b [Homo sapiens]" 100.00 341 100.00 100.00 7.93e-16 SP P04637 "RecName: Full=Cellular tumor antigen p53; AltName: Full=Antigen NY-CO-13; AltName: Full=Phosphoprotein p53; AltName: Full=Tumor" 100.00 393 100.00 100.00 8.18e-16 SP P13481 "RecName: Full=Cellular tumor antigen p53; AltName: Full=Tumor suppressor p53 [Chlorocebus aethiops]" 100.00 393 97.44 100.00 1.11e-15 SP P56423 "RecName: Full=Cellular tumor antigen p53; AltName: Full=Tumor suppressor p53 [Macaca fascicularis]" 100.00 393 97.44 100.00 1.23e-15 SP P56424 "RecName: Full=Cellular tumor antigen p53; AltName: Full=Tumor suppressor p53 [Macaca mulatta]" 100.00 393 97.44 100.00 1.23e-15 SP P61260 "RecName: Full=Cellular tumor antigen p53; AltName: Full=Tumor suppressor p53 [Macaca fuscata fuscata]" 100.00 393 97.44 100.00 1.23e-15 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic _Details $TAZ2 Human 9606 Eukaryota Metazoa Homo sapiens EP300 'Human p300(1723-1812) with four mutations:C1738A, C1746A, C1789A and C1790A.' $TAD(1-39) Human 9606 Eukaryota Metazoa Homo sapiens TP53 'Human p53(1-39)' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $TAZ2 'recombinant technology' . Escherichia coli BL21 'CodonPlus (DE3)-RIL' 'pDONR201 to make pJT57' $TAD(1-39) 'recombinant technology' . Escherichia coli Topp2 . 'pGEX 4T-1' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_p53cpx_3 _Saveframe_category sample _Sample_type solution _Details '15N and/or 13C labeled p53(1-39) with non-labeled TAZ2 complex in 50 mM MES, 200 mM NaCl, 0.1 mM ZnCl, 1mM DTT, pH 6.3.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $TAZ2 1.1-1.2 mM 'natural abundance' $TAD(1-39) 1.0-1.1 mM '[U-100% 15N]' MES 50 mM 'natural abundance' NaCl 200 mM 'natural abundance' ZnCl 0.1 mM 'natural abundance' DTT 1 mM 'natural abundance' stop_ save_ save_TAZ2cpx_1 _Saveframe_category sample _Sample_type solution _Details '15N labeled TAZ2 and non-labeled TAD(1-39) complex.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $TAZ2 1.0-1.2 mM '[U-100% 15N]' $TAD(1-39) 1.1-1.3 mM 'natural abundance' MES 50 mM 'natural abundance' NaCl 200 mM 'natural abundance' ZnCl 0.1 mM 'natural abundance' DTT 1 mM 'natural abundance' stop_ save_ save_TAZ2cpx_2 _Saveframe_category sample _Sample_type solution _Details '15N and 13C labeled TAZ2 and non-labeled TAD(1-39) complex.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $TAZ2 1.0-1.2 mM '[U-100% 13C; U-100% 15N]' $TAD(1-39) 1.1-1.3 mM 'natural abundance' MES 50 mM 'natural abundance' NaCl 200 mM 'natural abundance' ZnCl 0.1 mM 'natural abundance' DTT 1 mM 'natural abundance' stop_ save_ save_TAZ2cpx_4 _Saveframe_category sample _Sample_type solution _Details 'non-labeled TAZ2 and non-labeled TAD(1-39) complex.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $TAZ2 1.0-1.2 mM 'natural abundance' $TAD(1-39) 1.1-1.3 mM 'natural abundance' MES 50 mM 'natural abundance' NaCl 200 mM 'natural abundance' ZnCl 0.1 mM 'natural abundance' DTT 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' 'LCP, NIDDK,NIH' . stop_ loop_ _Task processing stop_ _Details updated save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version updated loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' 'LCP, NIDDK, NIH' . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version updated loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version 2.19 loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version updated loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_ProcheckNMR _Saveframe_category software _Name ProcheckNMR _Version updated loop_ _Vendor _Address _Electronic_address 'Laskowski and MacArthur' . . stop_ loop_ _Task 'structure validation' stop_ _Details . save_ save_MOLProbity _Saveframe_category software _Name MolProbity _Version 3.15 loop_ _Vendor _Address _Electronic_address Richardson 'Biochem. Duke University' . stop_ loop_ _Task 'structure validation' stop_ _Details . save_ save_InsightII _Saveframe_category software _Name InsightII _Version updated loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task 'figure preparation' stop_ _Details . save_ save_SYBYL _Saveframe_category software _Name SYBYL _Version 8.0 loop_ _Vendor _Address _Electronic_address Tripos . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $TAZ2cpx_1 save_ save_2D_1H-1H_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $TAZ2cpx_4 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $TAZ2cpx_2 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $TAZ2cpx_2 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $TAZ2cpx_2 save_ save_3D_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $TAZ2cpx_2 save_ save_3D_HNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $TAZ2cpx_2 save_ save_3D_H(CCO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $TAZ2cpx_2 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $TAZ2cpx_2 save_ save_3D_HNHA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $TAZ2cpx_1 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $TAZ2cpx_1 save_ save_3D_1H-13C_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $TAZ2cpx_2 save_ save_2D_1H-15N_HSQC_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $p53cpx_3 save_ save_3D_CBCA(CO)NH_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $p53cpx_3 save_ save_3D_HNCACB_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $p53cpx_3 save_ save_3D_HNCA_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $p53cpx_3 save_ save_3D_HNCO_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $p53cpx_3 save_ save_3D_HN(CA)CO_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $p53cpx_3 save_ save_3D_H(CCO)NH_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $p53cpx_3 save_ save_3D_HCCH-TOCSY_20 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $p53cpx_3 save_ save_3D_1H-15N_NOESY_21 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $p53cpx_3 save_ save_3D_1H-13C_NOESY_22 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $p53cpx_3 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details 'all the sample are in the same buffer of 50 mM MES, 200 mM NaCl, 0.1 mM ZnCl, 1mM DTT, pH6.3, T 308K.' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 200 . mM pH 6.3 . pH pressure 1 . atm temperature 308 . 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 . C 13 . ppm . . . . . . . H 1 . ppm . . . . . . . N 15 . ppm . . . . . . stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-1H NOESY' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HN(CA)CO' '3D HNCA' '3D H(CCO)NH' '3D HCCH-TOCSY' '3D HNHA' '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $TAZ2cpx_1 $TAZ2cpx_4 $TAZ2cpx_2 $p53cpx_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name TAZ2 _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 2 2 THR C C 174.2800 . 1 2 2 2 THR CA C 61.820 . 1 3 2 2 THR CB C 69.660 . 1 4 3 3 GLN H H 8.5020 . 1 5 3 3 GLN HA H 4.4850 . 1 6 3 3 GLN HB2 H 2.100 . . 7 3 3 GLN HB3 H 2.100 . 2 8 3 3 GLN HG2 H 2.4200 . . 9 3 3 GLN C C 175.6800 . 1 10 3 3 GLN CA C 55.490 . 1 11 3 3 GLN CB C 28.570 . 1 12 3 3 GLN CG C 33.5600 . 1 13 3 3 GLN N N 123.3460 . 1 14 4 4 SER H H 8.5860 . 1 15 4 4 SER HA H 4.860 . 1 16 4 4 SER HB2 H 3.9500 . . 17 4 4 SER HB3 H 3.9500 . 2 18 4 4 SER C C 173.2400 . 1 19 4 4 SER CA C 56.280 . 1 20 4 4 SER CB C 63.080 . . 21 4 4 SER N N 119.430 . 1 22 5 5 PRO HA H 4.4900 . 1 23 5 5 PRO HB2 H 2.390 . . 24 5 5 PRO HB3 H 2.020 . 2 25 5 5 PRO HD2 H 3.900 . . 26 5 5 PRO HD3 H 3.830 . 2 27 5 5 PRO HG2 H 2.160 . . 28 5 5 PRO HG3 H 2.110 . 2 29 5 5 PRO C C 178.020 . 1 30 5 5 PRO CA C 63.740 . 1 31 5 5 PRO CB C 30.120 . 1 32 5 5 PRO CD C 50.510 . 1 33 5 5 PRO CG C 26.950 . 1 34 6 6 GLY H H 8.420 . 1 35 6 6 GLY HA3 H 3.9800 . . 36 6 6 GLY C C 174.600 . 1 37 6 6 GLY CA C 45.580 . 1 38 6 6 GLY N N 108.250 . 1 39 7 7 ASP H H 8.080 . 1 40 7 7 ASP HA H 4.660 . 1 41 7 7 ASP HB2 H 2.800 . . 42 7 7 ASP C C 177.440 . 1 43 7 7 ASP CA C 54.9600 . 1 44 7 7 ASP CB C 40.740 . 1 45 7 7 ASP N N 121.2100 . 1 46 8 8 SER H H 8.3630 . 1 47 8 8 SER HA H 4.330 . 1 48 8 8 SER HB2 H 4.020 . . 49 8 8 SER C C 177.520 . 1 50 8 8 SER CA C 59.990 . 1 51 8 8 SER CB C 62.540 . 1 52 8 8 SER N N 117.020 . 1 53 9 9 ARG H H 8.270 . 1 54 9 9 ARG HA H 4.820 . 1 55 9 9 ARG HB2 H 1.940 . . 56 9 9 ARG HB3 H 1.940 . 2 57 9 9 ARG HG2 H 1.740 . . 58 9 9 ARG HG3 H 1.740 . . 59 9 9 ARG C C 177.800 . 1 60 9 9 ARG CA C 58.170 . 1 61 9 9 ARG CB C 29.490 . 1 62 9 9 ARG CD C 42.7900 . 1 63 9 9 ARG CG C 26.320 . 1 64 9 9 ARG N N 123.050 . 1 65 10 10 ARG H H 8.030 . 1 66 10 10 ARG HA H 4.100 . 1 67 10 10 ARG HB2 H 1.930 . . 68 10 10 ARG HB3 H 1.930 . . 69 10 10 ARG HD2 H 3.270 . . 70 10 10 ARG HD3 H 3.270 . . 71 10 10 ARG HG2 H 1.650 . . 72 10 10 ARG HG3 H 1.650 . . 73 10 10 ARG C C 177.900 . 1 74 10 10 ARG CA C 57.100 . 1 75 10 10 ARG CB C 29.4900 . 1 76 10 10 ARG CD C 42.9500 . 1 77 10 10 ARG CG C 26.750 . 1 78 10 10 ARG N N 119.730 . 1 79 11 11 LEU H H 8.100 . 1 80 11 11 LEU HA H 4.220 . 1 81 11 11 LEU HB2 H 1.800 . . 82 11 11 LEU HB3 H 1.680 . 2 83 11 11 LEU HD1 H 0.9500 . . 84 11 11 LEU HG H 1.740 . 1 85 11 11 LEU C C 178.600 . 1 86 11 11 LEU CA C 57.100 . 1 87 11 11 LEU CB C 41.270 . 1 88 11 11 LEU CD1 C 23.950 . 2 89 11 11 LEU CG C 26.750 . 1 90 11 11 LEU N N 120.770 . 1 91 12 12 SER H H 8.0520 . 1 92 12 12 SER HA H 4.250 . 1 93 12 12 SER HB2 H 4.060 . . 94 12 12 SER HB3 H 4.060 . 2 95 12 12 SER C C 178.7900 . 1 96 12 12 SER CA C 60.960 . 1 97 12 12 SER CB C 62.580 . 1 98 12 12 SER N N 115.7600 . 1 99 13 13 ILE H H 8.000 . 1 100 13 13 ILE HA H 3.7300 . 1 101 13 13 ILE HB H 2.200 . 1 102 13 13 ILE HD1 H 1.030 . . 103 13 13 ILE HG12 H 1.960 . . 104 13 13 ILE HG13 H 1.300 . 2 105 13 13 ILE HG2 H 1.120 . . 106 13 13 ILE C C 179.7400 . 1 107 13 13 ILE CA C 64.920 . 1 108 13 13 ILE CB C 37.200 . 1 109 13 13 ILE CD1 C 13.680 . 1 110 13 13 ILE CG1 C 29.2400 . 1 111 13 13 ILE CG2 C 17.470 . 1 112 13 13 ILE N N 123.2900 . 1 113 14 14 GLN H H 8.110 . 1 114 14 14 GLN HA H 4.0300 . 1 115 14 14 GLN HB2 H 2.200 . . 116 14 14 GLN HG2 H 2.5300 . . 117 14 14 GLN HG3 H 2.5300 . . 118 14 14 GLN C C 178.8500 . 1 119 14 14 GLN CA C 59.170 . 1 120 14 14 GLN CB C 27.810 . 1 121 14 14 GLN CG C 33.360 . 1 122 14 14 GLN N N 119.020 . 1 123 15 15 ARG H H 8.360 . 1 124 15 15 ARG HA H 3.980 . 1 125 15 15 ARG HB2 H 1.940 . . 126 15 15 ARG HB3 H 1.940 . 2 127 15 15 ARG HD2 H 3.300 . . 128 15 15 ARG HD3 H 3.300 . . 129 15 15 ARG HG2 H 1.650 . . 130 15 15 ARG HG3 H 1.650 . . 131 15 15 ARG C C 177.020 . 1 132 15 15 ARG CA C 59.0300 . 1 133 15 15 ARG CB C 29.460 . 1 134 15 15 ARG CD C 42.5300 . 1 135 15 15 ARG CG C 27.460 . 1 136 15 15 ARG N N 118.820 . 1 137 16 16 ALA H H 8.000 . 1 138 16 16 ALA HA H 4.230 . 1 139 16 16 ALA HB H 1.5400 . . 140 16 16 ALA C C 179.7500 . 1 141 16 16 ALA CA C 55.190 . 1 142 16 16 ALA CB C 18.020 . 1 143 16 16 ALA N N 123.80 . 1 144 17 17 ILE H H 8.490 . 1 145 17 17 ILE HA H 3.760 . 1 146 17 17 ILE HB H 2.210 . 1 147 17 17 ILE HD1 H 1.030 . . 148 17 17 ILE HG12 H 1.963 . . 149 17 17 ILE HG13 H 1.320 . 2 150 17 17 ILE HG2 H 1.130 . . 151 17 17 ILE C C 178.300 . 1 152 17 17 ILE CA C 64.710 . 1 153 17 17 ILE CB C 36.560 . 1 154 17 17 ILE CD1 C 13.650 . 1 155 17 17 ILE CG1 C 29.140 . 1 156 17 17 ILE CG2 C 17.450 . 1 157 17 17 ILE N N 118.260 . 1 158 18 18 GLN H H 8.230 . 1 159 18 18 GLN HA H 4.110 . 1 160 18 18 GLN HB2 H 2.240 . . 161 18 18 GLN HG2 H 2.640 . . 162 18 18 GLN HG3 H 2.540 . 2 163 18 18 GLN C C 178.9500 . 1 164 18 18 GLN CA C 59.030 . 1 165 18 18 GLN CB C 27.540 . 1 166 18 18 GLN CG C 33.4500 . 1 167 18 18 GLN N N 118.800 . 1 168 19 19 SER H H 8.230 . 1 169 19 19 SER HA H 4.430 . 1 170 19 19 SER HB2 H 4.130 . . 171 19 19 SER HB3 H 3.950 . 2 172 19 19 SER C C 176.120 . 1 173 19 19 SER CA C 61.600 . 1 174 19 19 SER CB C 62.580 . 1 175 19 19 SER N N 116.040 . 1 176 20 20 LEU H H 8.250 . 1 177 20 20 LEU HA H 4.090 . 1 178 20 20 LEU HB2 H 2.1200 . . 179 20 20 LEU HB3 H 1.7700 . 2 180 20 20 LEU HD1 H 0.9600 . . 181 20 20 LEU HD2 H 0.900 . . 182 20 20 LEU HG H 1.5400 . 1 183 20 20 LEU C C 177.180 . 1 184 20 20 LEU CA C 58.390 . 1 185 20 20 LEU CB C 41.810 . 1 186 20 20 LEU CD1 C 25.3200 . 2 187 20 20 LEU CD2 C 25.090 . . 188 20 20 LEU CG C 26.7500 . 1 189 20 20 LEU N N 125.460 . 1 190 21 21 VAL H H 8.5200 . 1 191 21 21 VAL HA H 3.340 . 1 192 21 21 VAL HB H 2.1600 . 1 193 21 21 VAL HG1 H 0.960 . . 194 21 21 VAL C C 178.430 . 1 195 21 21 VAL CA C 66.510 . 1 196 21 21 VAL CB C 31.2700 . 1 197 21 21 VAL CG1 C 20.550 . . 198 21 21 VAL CG2 C 20.550 . . 199 21 21 VAL N N 118.590 . 1 200 22 22 HIS H H 7.950 . 1 201 22 22 HIS HA H 4.260 . 1 202 22 22 HIS HB2 H 3.3300 . . 203 22 22 HIS HB3 H 3.3300 . 2 204 22 22 HIS C C 178.020 . 1 205 22 22 HIS CA C 59.770 . 1 206 22 22 HIS CB C 27.230 . 1 207 22 22 HIS N N 115.760 . 1 208 23 23 ALA H H 8.580 . 1 209 23 23 ALA HA H 4.190 . 1 210 23 23 ALA HB H 1.6200 . . 211 23 23 ALA C C 179.21 . 1 212 23 23 ALA CA C 54.420 . 1 213 23 23 ALA CB C 19.010 . 1 214 23 23 ALA N N 121.190 . 1 215 24 24 ALA H H 8.240 . 1 216 24 24 ALA HA H 4.110 . 1 217 24 24 ALA HB H 1.4150 . . 218 24 24 ALA C C 177.610 . 1 219 24 24 ALA CA C 53.540 . 1 220 24 24 ALA CB C 18.060 . 1 221 24 24 ALA N N 116.530 . 1 222 25 25 GLN H H 7.230 . 1 223 25 25 GLN HA H 4.540 . 1 224 25 25 GLN HB2 H 2.200 . . 225 25 25 GLN HB3 H 2.050 . 2 226 25 25 GLN HG2 H 2.560 . . 227 25 25 GLN HG3 H 2.340 . 2 228 25 25 GLN C C 174.530 . 1 229 25 25 GLN CA C 54.400 . 1 230 25 25 GLN CB C 30.090 . 1 231 25 25 GLN CG C 32.950 . 1 232 25 25 GLN N N 112.050 . 1 233 26 26 CYS H H 7.320 . 1 234 26 26 CYS HA H 3.920 . 1 235 26 26 CYS HB2 H 2.590 . . 236 26 26 CYS HB3 H 2.590 . . 237 26 26 CYS C C 176.230 . 1 238 26 26 CYS CA C 60.480 . 1 239 26 26 CYS CB C 28.470 . 1 240 26 26 CYS N N 124.310 . 1 241 27 27 ARG H H 8.840 . 1 242 27 27 ARG HA H 4.650 . 1 243 27 27 ARG HB2 H 2.180 . . 244 27 27 ARG HB3 H 1.660 . 2 245 27 27 ARG HD2 H 3.230 . . 246 27 27 ARG HD3 H 3.230 . . 247 27 27 ARG HG2 H 1.6700 . . 248 27 27 ARG HG3 H 1.6700 . . 249 27 27 ARG C C 175.270 . 1 250 27 27 ARG CA C 54.320 . 1 251 27 27 ARG CB C 29.490 . 1 252 27 27 ARG CD C 42.650 . 1 253 27 27 ARG CG C 25.940 . 1 254 27 27 ARG N N 129.620 . 1 255 28 28 ASN H H 7.930 . 1 256 28 28 ASN HA H 4.890 . 1 257 28 28 ASN HB2 H 3.000 . . 258 28 28 ASN HB3 H 2.900 . 2 259 28 28 ASN C C 175.240 . 1 260 28 28 ASN CA C 51.540 . 1 261 28 28 ASN CB C 38.460 . 1 262 28 28 ASN N N 120.580 . 1 263 29 29 ALA H H 9.100 . 1 264 29 29 ALA HA H 4.120 . 1 265 29 29 ALA HB H 1.470 . . 266 29 29 ALA C C 178.010 . 1 267 29 29 ALA CA C 54.040 . 1 268 29 29 ALA CB C 18.020 . 1 269 29 29 ALA N N 130.290 . 1 270 30 30 ASN H H 8.080 . 1 271 30 30 ASN HA H 4.900 . 1 272 30 30 ASN HB2 H 3.010 . . 273 30 30 ASN HB3 H 2.650 . 2 274 30 30 ASN C C 174.150 . 1 275 30 30 ASN CA C 51.490 . 1 276 30 30 ASN CB C 38.20 . 1 277 30 30 ASN N N 114.290 . 1 278 31 31 CYS H H 7.170 . 1 279 31 31 CYS HA H 4.0790 . 1 280 31 31 CYS HB2 H 3.040 . . 281 31 31 CYS HB3 H 3.040 . . 282 31 31 CYS C C 176.800 . 1 283 31 31 CYS CA C 61.430 . 1 284 31 31 CYS CB C 29.4280 . 1 285 31 31 CYS N N 123.080 . 1 286 32 32 SER H H 8.740 . 1 287 32 32 SER HA H 4.150 . 1 288 32 32 SER HB2 H 3.920 . . 289 32 32 SER HB3 H 3.920 . . 290 32 32 SER C C 174.850 . 1 291 32 32 SER CA C 57.570 . 1 292 32 32 SER CB C 63.5400 . 1 293 32 32 SER N N 124.210 . 1 294 33 33 LEU H H 8.520 . 1 295 33 33 LEU HA H 4.570 . 1 296 33 33 LEU HB2 H 1.6510 . . 297 33 33 LEU HB3 H 1.4900 . 2 298 33 33 LEU HD1 H 0.6400 . . 299 33 33 LEU HD2 H 0.610 . . 300 33 33 LEU HG H 1.6300 . 1 301 33 33 LEU C C 176.850 . 1 302 33 33 LEU CA C 54.080 . 1 303 33 33 LEU CB C 40.420 . 1 304 33 33 LEU CD1 C 23.4200 . 2 305 33 33 LEU CD2 C 22.950 . 2 306 33 33 LEU CG C 26.9800 . 1 307 33 33 LEU N N 128.730 . 1 308 34 34 PRO HA H 4.3600 . 1 309 34 34 PRO HB2 H 2.440 . . 310 34 34 PRO HB3 H 2.040 . 2 311 34 34 PRO HD2 H 3.842 . . 312 34 34 PRO HD3 H 3.842 . . 313 34 34 PRO HG2 H 2.247 . . 314 34 34 PRO HG3 H 2.105 . 2 315 34 34 PRO C C 178.380 . 1 316 34 34 PRO CA C 64.970 . 1 317 34 34 PRO CB C 31.230 . 1 318 34 34 PRO CD C 50.500 . 1 319 34 34 PRO CG C 26.9800 . 1 320 35 35 SER H H 8.300 . 1 321 35 35 SER HA H 4.3200 . 1 322 35 35 SER HB2 H 4.110 . . 323 35 35 SER HB3 H 4.110 . . 324 35 35 SER C C 178.350 . 1 325 35 35 SER CA C 59.9530 . 1 326 35 35 SER CB C 62.470 . 1 327 35 35 SER N N 111.680 . 1 328 36 36 CYS H H 7.500 . 1 329 36 36 CYS HA H 4.2420 . 1 330 36 36 CYS HB2 H 3.280 . . 331 36 36 CYS HB3 H 2.792 . 2 332 36 36 CYS C C 176.630 . 1 333 36 36 CYS CA C 63.710 . 1 334 36 36 CYS CB C 29.170 . 1 335 36 36 CYS N N 125.580 . 1 336 37 37 GLN H H 8.170 . 1 337 37 37 GLN HA H 4.010 . 1 338 37 37 GLN HB2 H 2.200 . . 339 37 37 GLN HG2 H 2.750 . . 340 37 37 GLN HG3 H 2.520 . 2 341 37 37 GLN C C 178.900 . 1 342 37 37 GLN CA C 59.580 . 1 343 37 37 GLN CB C 27.560 . 1 344 37 37 GLN CG C 33.650 . 1 345 37 37 GLN N N 116.020 . 1 346 38 38 LYS H H 7.840 . 1 347 38 38 LYS HA H 4.0790 . 1 348 38 38 LYS HB2 H 1.910 . . 349 38 38 LYS HB3 H 1.910 . 2 350 38 38 LYS HD2 H 1.610 . . 351 38 38 LYS HE2 H 2.9400 . . 352 38 38 LYS HG2 H 1.4900 . . 353 38 38 LYS C C 179.300 . 1 354 38 38 LYS CA C 59.280 . 1 355 38 38 LYS CB C 32.120 . 1 356 38 38 LYS CD C 26.5500 . 1 357 38 38 LYS CE C 41.450 . 1 358 38 38 LYS CG C 25.080 . 1 359 38 38 LYS N N 117.00 . 1 360 39 39 MET H H 8.270 . 1 361 39 39 MET HA H 4.580 . 1 362 39 39 MET HB2 H 2.400 . . 363 39 39 MET HB3 H 1.960 . 2 364 39 39 MET HG2 H 2.810 . . 365 39 39 MET HG3 H 2.630 . 2 366 39 39 MET C C 179.710 . 1 367 39 39 MET CA C 56.330 . 1 368 39 39 MET CB C 31.180 . 1 369 39 39 MET CG C 33.1500 . 1 370 39 39 MET N N 118.020 . 1 371 40 40 LYS H H 9.530 . 1 372 40 40 LYS HA H 3.860 . 1 373 40 40 LYS HB2 H 2.170 . . 374 40 40 LYS HB3 H 1.900 . 2 375 40 40 LYS HD2 H 1.730 . . 376 40 40 LYS HE2 H 3.310 . . 377 40 40 LYS HG2 H 1.440 . . 378 40 40 LYS C C 179.620 . 1 379 40 40 LYS CA C 61.360 . 1 380 40 40 LYS CB C 32.120 . 1 381 40 40 LYS CD C 29.600 . 1 382 40 40 LYS CE C 42.180 . 1 383 40 40 LYS CG C 26.950 . 1 384 40 40 LYS N N 122.280 . 1 385 41 41 ARG H H 7.560 . 1 386 41 41 ARG HA H 4.200 . 1 387 41 41 ARG HB2 H 2.200 . . 388 41 41 ARG HB3 H 2.010 . 2 389 41 41 ARG HD2 H 3.310 . . 390 41 41 ARG HD3 H 3.310 . . 391 41 41 ARG HG2 H 1.7900 . . 392 41 41 ARG HG3 H 1.7900 . . 393 41 41 ARG C C 179.6500 . 1 394 41 41 ARG CA C 59.350 . 1 395 41 41 ARG CB C 29.300 . 1 396 41 41 ARG CD C 43.1500 . 1 397 41 41 ARG CG C 28.800 . 1 398 41 41 ARG N N 117.590 . 1 399 42 42 VAL H H 7.570 . 1 400 42 42 VAL HA H 3.670 . 1 401 42 42 VAL HB H 2.600 . 1 402 42 42 VAL HG1 H 1.180 . . 403 42 42 VAL HG2 H 1.00 . . 404 42 42 VAL C C 177.4800 . 1 405 42 42 VAL CA C 66.4200 . 1 406 42 42 VAL CB C 30.700 . 1 407 42 42 VAL CG1 C 22.6600 . 2 408 42 42 VAL CG2 C 20.8100 . . 409 42 42 VAL N N 121.450 . 1 410 43 43 VAL H H 8.450 . 1 411 43 43 VAL HA H 3.540 . 1 412 43 43 VAL HB H 2.2700 . 1 413 43 43 VAL HG1 H 1.00 . . 414 43 43 VAL C C 178.950 . 1 415 43 43 VAL CA C 66.940 . 1 416 43 43 VAL CB C 31.090 . 1 417 43 43 VAL CG1 C 21.050 . 2 418 43 43 VAL N N 120.380 . 1 419 44 44 GLN H H 8.400 . 1 420 44 44 GLN HA H 4.020 . 1 421 44 44 GLN HB2 H 2.220 . . 422 44 44 GLN HG2 H 2.520 . . 423 44 44 GLN C C 177.2400 . 1 424 44 44 GLN CA C 58.550 . 1 425 44 44 GLN CB C 27.550 . 1 426 44 44 GLN CG C 33.300 . 1 427 44 44 GLN N N 119.280 . 1 428 45 45 HIS H H 8.0700 . 1 429 45 45 HIS HA H 4.280 . 1 430 45 45 HIS HB2 H 3.3500 . . 431 45 45 HIS C C 177.800 . 1 432 45 45 HIS CA C 59.440 . 1 433 45 45 HIS CB C 26.760 . 1 434 45 45 HIS N N 119.00 . 1 435 46 46 THR H H 7.800 . 1 436 46 46 THR HA H 3.870 . 1 437 46 46 THR HB H 4.2450 . 1 438 46 46 THR HG2 H 1.671 . . 439 46 46 THR C C 175.8500 . 1 440 46 46 THR CA C 65.410 . 1 441 46 46 THR CB C 68.850 . 1 442 46 46 THR CG2 C 21.280 . 1 443 46 46 THR N N 110.300 . 1 444 47 47 LYS H H 7.310 . 1 445 47 47 LYS HA H 4.100 . 1 446 47 47 LYS HB2 H 1.880 . . 447 47 47 LYS HD2 H 1.630 . . 448 47 47 LYS HD3 H 1.630 . . 449 47 47 LYS HE2 H 2.930 . . 450 47 47 LYS HE3 H 2.930 . . 451 47 47 LYS HG2 H 1.4900 . . 452 47 47 LYS C C 177.6400 . 1 453 47 47 LYS CA C 58.310 . 1 454 47 47 LYS CB C 31.420 . 1 455 47 47 LYS CD C 28.880 . 1 456 47 47 LYS CE C 41.550 . 1 457 47 47 LYS CG C 24.8100 . 1 458 47 47 LYS N N 120.240 . 1 459 48 48 GLY H H 7.1590 . 1 460 48 48 GLY HA2 H 4.410 . . 461 48 48 GLY HA3 H 3.680 . 2 462 48 48 GLY C C 173.8500 . 1 463 48 48 GLY CA C 44.4330 . 1 464 48 48 GLY N N 103.360 . 1 465 49 49 CYS H H 6.910 . 1 466 49 49 CYS HA H 4.020 . 1 467 49 49 CYS HB2 H 2.7500 . . 468 49 49 CYS HB3 H 2.7500 . . 469 49 49 CYS C C 176.710 . 1 470 49 49 CYS CA C 60.620 . 1 471 49 49 CYS CB C 29.260 . 1 472 49 49 CYS N N 123.280 . 1 473 50 50 LYS H H 8.960 . 1 474 50 50 LYS HA H 3.980 . 1 475 50 50 LYS HB2 H 1.770 . . 476 50 50 LYS HB3 H 1.770 . . 477 50 50 LYS HD2 H 1.6600 . . 478 50 50 LYS HD3 H 1.6600 . . 479 50 50 LYS HE2 H 3.010 . . 480 50 50 LYS HE3 H 3.010 . . 481 50 50 LYS HG2 H 1.5400 . 2 482 50 50 LYS HG3 H 1.5400 . 2 483 50 50 LYS C C 177.5800 . 1 484 50 50 LYS CA C 56.280 . 1 485 50 50 LYS CB C 32.150 . 1 486 50 50 LYS CD C 28.140 . 1 487 50 50 LYS CE C 41.840 . 1 488 50 50 LYS CG C 28.6900 . 1 489 50 50 LYS N N 128.200 . 1 490 51 51 ARG H H 8.530 . 1 491 51 51 ARG HA H 4.460 . 1 492 51 51 ARG HB2 H 1.840 . . 493 51 51 ARG HD2 H 3.341 . . 494 51 51 ARG HD3 H 3.341 . . 495 51 51 ARG HG2 H 1.780 . . 496 51 51 ARG HG3 H 1.780 . . 497 51 51 ARG C C 176.700 . 1 498 51 51 ARG CA C 57.2030 . 1 499 51 51 ARG CB C 30.9690 . 1 500 51 51 ARG CD C 43.150 . 1 501 51 51 ARG CG C 27.450 . 1 502 51 51 ARG N N 122.350 . 1 503 52 52 LYS H H 8.420 . 1 504 52 52 LYS HA H 4.470 . 1 505 52 52 LYS HB2 H 2.130 . . 506 52 52 LYS HB3 H 2.130 . . 507 52 52 LYS HD2 H 1.810 . . 508 52 52 LYS HD3 H 1.810 . . 509 52 52 LYS HE2 H 3.220 . . 510 52 52 LYS HE3 H 3.220 . . 511 52 52 LYS HG2 H 1.430 . . 512 52 52 LYS HG3 H 1.680 . 2 513 52 52 LYS C C 177.300 . 1 514 52 52 LYS CA C 57.600 . 1 515 52 52 LYS CB C 31.6270 . 1 516 52 52 LYS CD C 29.330 . 1 517 52 52 LYS CE C 41.95 . 1 518 52 52 LYS CG C 24.550 . 1 519 52 52 LYS N N 118.820 . 1 520 53 53 THR H H 7.760 . 1 521 53 53 THR HA H 4.230 . 1 522 53 53 THR HB H 4.4600 . . 523 53 53 THR HG2 H 1.280 . . 524 53 53 THR C C 175.700 . 1 525 53 53 THR CA C 63.390 . 1 526 53 53 THR CB C 68.220 . 1 527 53 53 THR CG2 C 20.11 . 1 528 53 53 THR N N 112.860 . 1 529 54 54 ASN H H 8.260 . 1 530 54 54 ASN HA H 4.1100 . 1 531 54 54 ASN HB2 H 2.960 . . 532 54 54 ASN C C 175.970 . 1 533 54 54 ASN CA C 53.300 . 1 534 54 54 ASN CB C 37.810 . 1 535 54 54 ASN N N 119.690 . 1 536 55 55 GLY H H 7.960 . 1 537 55 55 GLY HA2 H 4.010 . . 538 55 55 GLY HA3 H 4.010 . . 539 55 55 GLY C C 175.270 . 1 540 55 55 GLY CA C 45.610 . 1 541 55 55 GLY N N 107.340 . 1 542 56 56 GLY H H 7.820 . 1 543 56 56 GLY HA2 H 3.970 . . 544 56 56 GLY HA3 H 3.970 . . 545 56 56 GLY C C 173.320 . 1 546 56 56 GLY CA C 45.350 . 1 547 56 56 GLY N N 107.080 . 1 548 57 57 CYS H H 8.010 . 1 549 57 57 CYS HA H 4.870 . 1 550 57 57 CYS HB2 H 3.000 . . 551 57 57 CYS HB3 H 2.700 . 2 552 57 57 CYS C C 175.610 . 1 553 57 57 CYS CA C 55.340 . 1 554 57 57 CYS CB C 30.160 . 1 555 57 57 CYS N N 122.570 . 1 556 58 58 PRO HA H 4.3200 . 1 557 58 58 PRO HB2 H 2.437 . . 558 58 58 PRO HB3 H 1.970 . 2 559 58 58 PRO HD2 H 4.104 . . 560 58 58 PRO HD3 H 4.100 . 2 561 58 58 PRO HG2 H 2.190 . . 562 58 58 PRO HG3 H 2.100 . 2 563 58 58 PRO CA C 64.550 . 1 564 58 58 PRO CB C 32.050 . 1 565 58 58 PRO CD C 50.5000 . 1 566 58 58 PRO CG C 26.950 . 1 567 59 59 ILE H H 7.9170 . 1 568 59 59 ILE HA H 3.550 . 1 569 59 59 ILE HB H 1.600 . 1 570 59 59 ILE HD1 H 0.3910 . . 571 59 59 ILE HG12 H 1.3900 . . 572 59 59 ILE HG13 H 0.635 . 2 573 59 59 ILE HG2 H 0.7150 . . 574 59 59 ILE C C 178.040 . 1 575 59 59 ILE CA C 64.540 . 1 576 59 59 ILE CB C 38.160 . 1 577 59 59 ILE CD1 C 11.560 . 1 578 59 59 ILE CG1 C 27.950 . 1 579 59 59 ILE CG2 C 18.6700 . 1 580 59 59 ILE N N 120.680 . 1 581 60 60 CYS H H 8.920 . 1 582 60 60 CYS HA H 4.1050 . 1 583 60 60 CYS HB2 H 3.0470 . . 584 60 60 CYS HB3 H 2.8240 . 2 585 60 60 CYS C C 177.540 . 1 586 60 60 CYS CA C 66.000 . 1 587 60 60 CYS CB C 28.750 . 1 588 60 60 CYS N N 123.890 . 1 589 61 61 LYS H H 8.100 . 1 590 61 61 LYS HA H 3.9200 . 1 591 61 61 LYS HB2 H 1.9100 . . 592 61 61 LYS HB3 H 1.740 . 2 593 61 61 LYS HD2 H 1.660 . . 594 61 61 LYS HE2 H 2.850 . . 595 61 61 LYS HG2 H 1.5400 . . 596 61 61 LYS HG3 H 1.420 . 2 597 61 61 LYS C C 179.030 . 1 598 61 61 LYS CA C 59.610 . 1 599 61 61 LYS CB C 32.040 . 1 600 61 61 LYS CD C 28.6500 . 1 601 61 61 LYS CE C 41.250 . 1 602 61 61 LYS CG C 25.080 . 1 603 61 61 LYS N N 117.130 . 1 604 62 62 GLN H H 7.010 . 1 605 62 62 GLN HA H 4.150 . 1 606 62 62 GLN HB2 H 2.170 . . 607 62 62 GLN HB3 H 2.170 . . 608 62 62 GLN HG2 H 2.530 . . 609 62 62 GLN HG3 H 2.530 . . 610 62 62 GLN C C 178.340 . 1 611 62 62 GLN CA C 58.520 . 1 612 62 62 GLN CB C 27.5870 . 1 613 62 62 GLN CG C 33.250 . 1 614 62 62 GLN N N 117.00 . 1 615 63 63 LEU H H 7.980 . 1 616 63 63 LEU HA H 4.160 . 1 617 63 63 LEU HB2 H 1.9500 . . 618 63 63 LEU HD1 H 1.054 . . 619 63 63 LEU HD2 H 0.7210 . . 620 63 63 LEU HG H 1.6900 . 1 621 63 63 LEU C C 179.060 . 1 622 63 63 LEU CA C 57.830 . 1 623 63 63 LEU CB C 41.270 . 1 624 63 63 LEU CD1 C 24.830 . 2 625 63 63 LEU CD2 C 22.140 . 2 626 63 63 LEU CG C 30.3700 . 1 627 63 63 LEU N N 119.730 . 1 628 64 64 ILE H H 8.4810 . 1 629 64 64 ILE HA H 3.650 . 1 630 64 64 ILE HB H 1.540 . 1 631 64 64 ILE HD1 H 0.510 . . 632 64 64 ILE HG12 H 1.160 . . 633 64 64 ILE HG13 H 1.160 . . 634 64 64 ILE HG2 H 0.8930 . . 635 64 64 ILE C C 179.930 . 1 636 64 64 ILE CA C 65.220 . 1 637 64 64 ILE CB C 36.960 . 1 638 64 64 ILE CD1 C 12.750 . 1 639 64 64 ILE CG1 C 29.360 . 1 640 64 64 ILE CG2 C 16.540 . 1 641 64 64 ILE N N 120.350 . 1 642 65 65 ALA H H 7.300 . 1 643 65 65 ALA HA H 4.200 . 1 644 65 65 ALA HB H 1.610 . . 645 65 65 ALA C C 180.010 . 1 646 65 65 ALA CA C 54.940 . 1 647 65 65 ALA CB C 18.010 . 1 648 65 65 ALA N N 122.510 . 1 649 66 66 LEU H H 8.120 . 1 650 66 66 LEU HA H 4.100 . 1 651 66 66 LEU HB2 H 1.760 . . 652 66 66 LEU HB3 H 1.760 . . 653 66 66 LEU HD1 H 0.9400 . . 654 66 66 LEU HD2 H 0.9100 . . 655 66 66 LEU HG H 1.600 . 1 656 66 66 LEU C C 179.480 . 1 657 66 66 LEU CA C 57.540 . 1 658 66 66 LEU CB C 41.940 . 1 659 66 66 LEU CD1 C 26.7500 . 2 660 66 66 LEU CD2 C 25.0800 . 2 661 66 66 LEU CG C 26.8000 . 1 662 66 66 LEU N N 115.490 . 1 663 67 67 ALA H H 8.840 . 1 664 67 67 ALA HA H 4.00 . 1 665 67 67 ALA HB H 1.760 . . 666 67 67 ALA C C 179.000 . 1 667 67 67 ALA CA C 55.490 . 1 668 67 67 ALA CB C 18.460 . 1 669 67 67 ALA N N 121.500 . 1 670 68 68 ALA H H 8.500 . 1 671 68 68 ALA HA H 4.160 . 1 672 68 68 ALA HB H 1.530 . . 673 68 68 ALA C C 179.070 . 1 674 68 68 ALA CA C 55.290 . 1 675 68 68 ALA CB C 17.524 . 1 676 68 68 ALA N N 120.100 . 1 677 69 69 TYR H H 7.850 . 1 678 69 69 TYR HA H 4.3100 . 1 679 69 69 TYR HB2 H 2.4600 . . 680 69 69 TYR HB3 H 2.4600 . . 681 69 69 TYR CA C 56.1410 . 1 682 69 69 TYR CB C 37.9430 . 1 683 69 69 TYR N N 118.930 . 1 684 70 70 HIS H H 7.9600 . 1 685 70 70 HIS HA H 4.510 . 1 686 70 70 HIS HB2 H 2.8400 . . 687 70 70 HIS HB3 H 2.840 . 2 688 70 70 HIS CA C 54.640 . 1 689 70 70 HIS CB C 27.560 . 1 690 70 70 HIS N N 125.790 . 1 691 71 71 ALA H H 9.190 . 1 692 71 71 ALA HA H 3.960 . 1 693 71 71 ALA HB H 1.660 . . 694 71 71 ALA C C 179.070 . 1 695 71 71 ALA CA C 54.510 . 1 696 71 71 ALA CB C 19.240 . 1 697 71 71 ALA N N 121.760 . 1 698 72 72 LYS H H 6.950 . 1 699 72 72 LYS HA H 3.920 . 1 700 72 72 LYS HB2 H 1.500 . . 701 72 72 LYS HB3 H 1.420 . 2 702 72 72 LYS HD2 H 1.6100 . . 703 72 72 LYS HD3 H 1.6100 . . 704 72 72 LYS HE2 H 2.964 . . 705 72 72 LYS HE3 H 2.964 . . 706 72 72 LYS HG2 H 1.3100 . . 707 72 72 LYS HG3 H 1.3100 . . 708 72 72 LYS C C 176.750 . 1 709 72 72 LYS CA C 57.690 . 1 710 72 72 LYS CB C 31.720 . 1 711 72 72 LYS CD C 28.1700 . 1 712 72 72 LYS CE C 42.563 . 1 713 72 72 LYS CG C 23.940 . 1 714 72 72 LYS N N 114.500 . 1 715 73 73 HIS H H 7.140 . 1 716 73 73 HIS HA H 4.830 . 1 717 73 73 HIS HB2 H 3.471 . . 718 73 73 HIS HB3 H 2.938 . 2 719 73 73 HIS C C 173.590 . 1 720 73 73 HIS CA C 54.070 . 1 721 73 73 HIS CB C 29.640 . 1 722 73 73 HIS N N 113.180 . 1 723 74 74 CYS H H 7.020 . 1 724 74 74 CYS HA H 4.1400 . 1 725 74 74 CYS HB2 H 2.510 . . 726 74 74 CYS HB3 H 2.510 . . 727 74 74 CYS C C 176.120 . 1 728 74 74 CYS CA C 59.8290 . 1 729 74 74 CYS CB C 29.4730 . 1 730 74 74 CYS N N 123.590 . 1 731 75 75 GLN H H 9.070 . 1 732 75 75 GLN HA H 4.705 . 1 733 75 75 GLN HB2 H 1.9100 . . 734 75 75 GLN HG2 H 2.360 . . 735 75 75 GLN HG3 H 2.360 . . 736 75 75 GLN C C 175.620 . 1 737 75 75 GLN CA C 54.290 . 1 738 75 75 GLN CB C 28.760 . 1 739 75 75 GLN CG C 32.950 . 1 740 75 75 GLN N N 128.650 . 1 741 76 76 GLU H H 8.260 . 1 742 76 76 GLU HA H 4.410 . 1 743 76 76 GLU HB2 H 2.000 . . 744 76 76 GLU HB3 H 2.000 . . 745 76 76 GLU HG2 H 2.420 . . 746 76 76 GLU HG3 H 2.420 . . 747 76 76 GLU C C 176.700 . 1 748 76 76 GLU CA C 55.510 . 1 749 76 76 GLU CB C 29.860 . 1 750 76 76 GLU CG C 35.150 . 1 751 76 76 GLU N N 123.000 . 1 752 77 77 ASN H H 8.830 . 1 753 77 77 ASN HA H 4.530 . 1 754 77 77 ASN HB2 H 3.005 . . 755 77 77 ASN HB3 H 2.850 . 2 756 77 77 ASN C C 175.700 . 1 757 77 77 ASN CA C 55.030 . 1 758 77 77 ASN CB C 38.030 . 1 759 77 77 ASN N N 125.100 . 1 760 78 78 LYS H H 8.660 . 1 761 78 78 LYS HA H 4.440 . 1 762 78 78 LYS HB2 H 1.950 . . 763 78 78 LYS HB3 H 1.670 . 2 764 78 78 LYS HD2 H 1.710 . . 765 78 78 LYS HD3 H 1.710 . . 766 78 78 LYS HE2 H 3.030 . . 767 78 78 LYS HE3 H 3.030 . . 768 78 78 LYS HG2 H 1.410 . . 769 78 78 LYS HG3 H 1.410 . . 770 78 78 LYS C C 174.9300 . 1 771 78 78 LYS CA C 54.120 . 1 772 78 78 LYS CB C 30.120 . 1 773 78 78 LYS CD C 28.6500 . 1 774 78 78 LYS CE C 41.980 . 1 775 78 78 LYS CG C 24.8500 . 1 776 78 78 LYS N N 120.580 . 1 777 79 79 CYS H H 7.320 . 1 778 79 79 CYS HA H 4.160 . 1 779 79 79 CYS HB2 H 3.240 . . 780 79 79 CYS HB3 H 3.148 . 2 781 79 79 CYS C C 176.230 . 1 782 79 79 CYS CA C 60.480 . 1 783 79 79 CYS CB C 28.440 . 1 784 79 79 CYS N N 124.350 . 1 785 80 80 PRO HA H 4.730 . 1 786 80 80 PRO HB2 H 2.170 . . 787 80 80 PRO HB3 H 2.100 . 2 788 80 80 PRO HD2 H 4.180 . . 789 80 80 PRO HD3 H 3.910 . 2 790 80 80 PRO HG2 H 2.080 . . 791 80 80 PRO HG3 H 1.730 . 2 792 80 80 PRO CA C 62.580 . 1 793 80 80 PRO CB C 31.540 . 1 794 80 80 PRO CD C 50.750 . 1 795 80 80 PRO CG C 25.800 . 1 796 81 81 VAL H H 9.030 . 1 797 81 81 VAL HA H 3.570 . 1 798 81 81 VAL HB H 2.2670 . 1 799 81 81 VAL HG1 H 0.7350 . . 800 81 81 VAL HG2 H 0.500 . . 801 81 81 VAL CA C 62.220 . 1 802 81 81 VAL CB C 30.990 . 1 803 81 81 VAL CG1 C 18.950 . 2 804 81 81 VAL CG2 C 23.420 . 2 805 81 81 VAL N N 127.570 . 1 806 82 82 PRO HA H 4.860 . 1 807 82 82 PRO HB2 H 2.400 . . 808 82 82 PRO HB3 H 2.240 . 2 809 82 82 PRO HD2 H 3.670 . . 810 82 82 PRO HD3 H 3.600 . 2 811 82 82 PRO HG2 H 2.000 . . 812 82 82 PRO HG3 H 1.910 . 2 813 82 82 PRO CA C 62.860 . 1 814 82 82 PRO CB C 31.550 . 1 815 82 82 PRO CD C 49.550 . 1 816 82 82 PRO CG C 24.1290 . 1 817 83 83 PHE H H 6.940 . 1 818 83 83 PHE HA H 4.460 . 1 819 83 83 PHE HB2 H 3.350 . . 820 83 83 PHE HB3 H 3.270 . 2 821 83 83 PHE C C 177.240 . 1 822 83 83 PHE CA C 59.880 . 1 823 83 83 PHE CB C 37.550 . 1 824 83 83 PHE N N 123.5300 . 1 825 84 84 CYS H H 7.020 . 1 826 84 84 CYS HA H 4.100 . 1 827 84 84 CYS HB2 H 3.050 . . 828 84 84 CYS HB3 H 2.820 . 2 829 84 84 CYS CA C 66.560 . 1 830 84 84 CYS CB C 29.770 . 1 831 84 84 CYS N N 111.010 . 1 832 85 85 LEU H H 8.190 . 1 833 85 85 LEU HA H 4.130 . 1 834 85 85 LEU HB2 H 1.510 . . 835 85 85 LEU HD1 H 0.910 . . 836 85 85 LEU HD2 H 0.805 . . 837 85 85 LEU HG H 1.940 . 1 838 85 85 LEU C C 178.700 . 1 839 85 85 LEU CA C 57.450 . 1 840 85 85 LEU CB C 41.720 . 1 841 85 85 LEU CD1 C 24.8500 . 2 842 85 85 LEU CD2 C 23.900 . 2 843 85 85 LEU CG C 26.0500 . 1 844 85 85 LEU N N 120.080 . 1 845 86 86 ASN H H 7.740 . 1 846 86 86 ASN HA H 4.530 . 1 847 86 86 ASN HB2 H 2.9400 . . 848 86 86 ASN HB3 H 2.8500 . 2 849 86 86 ASN C C 177.040 . 1 850 86 86 ASN CA C 55.510 . 1 851 86 86 ASN CB C 38.650 . 1 852 86 86 ASN N N 115.410 . 1 853 87 87 ILE H H 8.190 . 1 854 87 87 ILE HA H 3.960 . 1 855 87 87 ILE HB H 2.0530 . 1 856 87 87 ILE HD1 H 0.870 . . 857 87 87 ILE HG12 H 1.750 . . 858 87 87 ILE HG13 H 1.750 . . 859 87 87 ILE HG2 H 0.960 . . 860 87 87 ILE C C 177.980 . 1 861 87 87 ILE CA C 63.050 . 1 862 87 87 ILE CB C 36.9500 . 1 863 87 87 ILE CD1 C 12.7300 . 1 864 87 87 ILE CG1 C 26.2500 . 1 865 87 87 ILE CG2 C 17.260 . 1 866 87 87 ILE N N 120.100 . 1 867 88 88 LYS H H 8.300 . 1 868 88 88 LYS HA H 4.160 . 1 869 88 88 LYS HB2 H 1.950 . . 870 88 88 LYS HB3 H 1.950 . . 871 88 88 LYS HD2 H 1.850 . . 872 88 88 LYS HD3 H 1.850 . . 873 88 88 LYS HG2 H 1.720 . . 874 88 88 LYS HG3 H 1.720 . . 875 88 88 LYS C C 179.730 . 1 876 88 88 LYS CA C 59.030 . 1 877 88 88 LYS CB C 27.530 . 1 878 88 88 LYS CG C 26.780 . 1 879 88 88 LYS N N 118.760 . 1 880 89 89 GLN H H 8.730 . 1 881 89 89 GLN HA H 4.440 . 1 882 89 89 GLN HB2 H 1.900 . . 883 89 89 GLN HG2 H 2.050 . . 884 89 89 GLN CA C 56.350 . 1 885 89 89 GLN CB C 27.750 . 1 886 89 89 GLN CG C 33.530 . 1 887 89 89 GLN N N 122.660 . 1 888 90 90 LYS H H 7.920 . 1 889 90 90 LYS HA H 4.190 . 1 890 90 90 LYS HB2 H 1.900 . . 891 90 90 LYS HB3 H 1.900 . . 892 90 90 LYS HD2 H 1.737 . . 893 90 90 LYS HD3 H 1.737 . . 894 90 90 LYS HE2 H 3.053 . . 895 90 90 LYS HE3 H 3.053 . . 896 90 90 LYS HG2 H 1.500 . . 897 90 90 LYS HG3 H 1.500 . . 898 90 90 LYS CA C 57.520 . 1 899 90 90 LYS CB C 32.870 . 1 900 90 90 LYS CD C 28.880 . 1 901 90 90 LYS CE C 41.720 . 1 902 90 90 LYS CG C 24.620 . 1 903 90 90 LYS N N 127.300 . 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-1H NOESY' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HN(CA)CO' '3D HNCA' '3D H(CCO)NH' '3D HCCH-TOCSY' '3D HNHA' '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $TAZ2cpx_1 $TAZ2cpx_4 $TAZ2cpx_2 $p53cpx_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name TAD(1-39) _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 2 2 GLU C C 176.270 . 1 2 2 2 GLU CA C 56.070 . 1 3 2 2 GLU CB C 29.100 . 1 4 3 3 GLU HA H 4.6500 . 1 5 3 3 GLU HB2 H 2.170 . . 6 3 3 GLU HB3 H 2.170 . . 7 3 3 GLU HG2 H 2.340 . . 8 3 3 GLU HG3 H 2.340 . . 9 3 3 GLU C C 176.270 . 1 10 3 3 GLU CA C 53.970 . 1 11 3 3 GLU CB C 29.200 . 1 12 3 3 GLU CG C 35.600 . 1 13 4 4 PRO HA H 4.5100 . 1 14 4 4 PRO HB2 H 2.360 . . 15 4 4 PRO HB3 H 2.000 . 2 16 4 4 PRO HD2 H 3.890 . . 17 4 4 PRO HD3 H 3.700 . 2 18 4 4 PRO HG2 H 2.040 . . 19 4 4 PRO HG3 H 2.040 . 2 20 4 4 PRO C C 181.100 . 1 21 4 4 PRO CA C 62.900 . 1 22 4 4 PRO CB C 31.402 . 1 23 4 4 PRO CD C 49.850 . 1 24 4 4 PRO CG C 26.650 . 1 25 5 5 GLN H H 8.530 . 1 26 5 5 GLN HA H 4.430 . 1 27 5 5 GLN HB2 H 2.0300 . . 28 5 5 GLN HB3 H 2.0300 . 2 29 5 5 GLN HG2 H 2.4200 . . 30 5 5 GLN C C 176.100 . 1 31 5 5 GLN CA C 53.450 . 1 32 5 5 GLN CB C 28.9900 . 1 33 5 5 GLN CG C 33.4600 . 1 34 5 5 GLN N N 120.510 . 1 35 6 6 SER H H 8.330 . 1 36 6 6 SER HA H 4.500 . 1 37 6 6 SER HB2 H 3.9300 . . 38 6 6 SER C C 173.9200 . 1 39 6 6 SER CA C 57.860 . 1 40 6 6 SER CB C 63.230 . 1 41 6 6 SER N N 117.080 . 1 42 7 7 ASP H H 8.3800 . 1 43 7 7 ASP HA H 4.960 . 1 44 7 7 ASP HB2 H 2.850 . . 45 7 7 ASP HB3 H 2.630 . 2 46 7 7 ASP C C 174.7800 . 1 47 7 7 ASP CA C 51.960 . 1 48 7 7 ASP CB C 40.8500 . 1 49 7 7 ASP N N 123.030 . 1 50 8 8 PRO HA H 4.450 . 1 51 8 8 PRO HB2 H 2.280 . . 52 8 8 PRO HB3 H 1.970 . 2 53 8 8 PRO HD2 H 3.7900 . . 54 8 8 PRO HD3 H 3.6500 . 2 55 8 8 PRO HG2 H 2.080 . . 56 8 8 PRO HG3 H 2.080 . 2 57 8 8 PRO C C 177.080 . 1 58 8 8 PRO CA C 63.520 . 1 59 8 8 PRO CB C 31.612 . 1 60 8 8 PRO CD C 49.770 . 1 61 8 8 PRO CG C 27.1500 . 1 62 9 9 SER H H 8.520 . 1 63 9 9 SER HA H 4.450 . 1 64 9 9 SER HB2 H 3.950 . . 65 9 9 SER C C 174.420 . 1 66 9 9 SER CA C 58.590 . 1 67 9 9 SER CB C 63.330 . 1 68 9 9 SER N N 116.010 . 1 69 10 10 VAL H H 7.7710 . 1 70 10 10 VAL HA H 4.200 . 1 71 10 10 VAL HB H 2.0100 . 1 72 10 10 VAL HG1 H 0.9400 . . 73 10 10 VAL HG2 H 0.8500 . . 74 10 10 VAL C C 174.430 . 1 75 10 10 VAL CA C 61.330 . 1 76 10 10 VAL CB C 32.3400 . 1 77 10 10 VAL CG1 C 20.9700 . 2 78 10 10 VAL CG2 C 20.9700 . 2 79 10 10 VAL N N 121.350 . 1 80 11 11 GLU H H 8.000 . 1 81 11 11 GLU HA H 4.660 . 1 82 11 11 GLU HB2 H 2.180 . . 83 11 11 GLU HB3 H 2.180 . . 84 11 11 GLU HG2 H 2.350 . . 85 11 11 GLU HG3 H 2.350 . . 86 11 11 GLU C C 173.740 . 1 87 11 11 GLU CA C 53.130 . 1 88 11 11 GLU CB C 29.8260 . 1 89 11 11 GLU CG C 35.1500 . 1 90 11 11 GLU N N 125.070 . 1 91 12 12 PRO HA H 4.5200 . 1 92 12 12 PRO HB2 H 2.350 . . 93 12 12 PRO HB3 H 2.350 . 2 94 12 12 PRO HD2 H 3.880 . . 95 12 12 PRO HD3 H 3.880 . . 96 12 12 PRO HG2 H 2.070 . . 97 12 12 PRO HG3 H 2.070 . 2 98 12 12 PRO CA C 63.570 . 1 99 12 12 PRO CB C 31.350 . 1 100 12 12 PRO CD C 49.750 . 1 101 12 12 PRO CG C 27.1600 . 1 102 13 13 PRO HA H 4.5100 . 1 103 13 13 PRO HB2 H 2.360 . . 104 13 13 PRO HB3 H 1.990 . 2 105 13 13 PRO HD2 H 3.880 . . 106 13 13 PRO HD3 H 3.760 . 2 107 13 13 PRO HG2 H 2.090 . . 108 13 13 PRO HG3 H 2.090 . 2 109 13 13 PRO C C 175.980 . 1 110 13 13 PRO CB C 31.720 . 1 111 13 13 PRO CD C 49.750 . 1 112 13 13 PRO CG C 26.650 . 1 113 14 14 LEU H H 7.900 . 1 114 14 14 LEU HA H 4.480 . 1 115 14 14 LEU HB2 H 1.650 . . 116 14 14 LEU HD1 H 0.940 . . 117 14 14 LEU HG H 1.6500 . 1 118 14 14 LEU C C 177.260 . 1 119 14 14 LEU CA C 52.290 . 1 120 14 14 LEU CB C 41.270 . 1 121 14 14 LEU CD1 C 23.230 . 2 122 14 14 LEU CG C 26.3700 . 1 123 14 14 LEU N N 120.860 . 1 124 15 15 SER H H 8.620 . 1 125 15 15 SER HA H 4.5100 . 1 126 15 15 SER HB2 H 4.10 . . 127 15 15 SER HB3 H 4.10 . 2 128 15 15 SER C C 175.040 . 1 129 15 15 SER CA C 57.330 . 1 130 15 15 SER CB C 63.960 . . 131 15 15 SER N N 117.360 . 1 132 16 16 GLN H H 8.700 . 1 133 16 16 GLN HA H 4.400 . 1 134 16 16 GLN HB2 H 2.200 . . 135 16 16 GLN HG2 H 2.470 . . 136 16 16 GLN HG3 H 2.460 . . 137 16 16 GLN C C 176.280 . 1 138 16 16 GLN CA C 56.1700 . 1 139 16 16 GLN CB C 29.310 . 1 140 16 16 GLN CG C 33.3630 . 1 141 16 16 GLN N N 122.480 . 1 142 18 18 THR H H 7.860 . 1 143 18 18 THR HA H 4.080 . 1 144 18 18 THR HB H 4.210 . 1 145 18 18 THR HG2 H 1.260 . . 146 18 18 THR C C 175.900 . 1 147 18 18 THR CA C 66.280 . 1 148 18 18 THR CB C 67.5500 . 1 149 18 18 THR CG2 C 22.4800 . 1 150 18 18 THR N N 116.790 . 1 151 19 19 PHE H H 8.640 . 1 152 19 19 PHE HA H 4.340 . 1 153 19 19 PHE HB2 H 3.150 . . 154 19 19 PHE HB3 H 3.150 . 2 155 19 19 PHE C C 176.340 . 1 156 19 19 PHE CA C 59.680 . 1 157 19 19 PHE CB C 38.070 . 1 158 19 19 PHE N N 120.710 . 1 159 20 20 SER H H 8.260 . 1 160 20 20 SER C C 176.100 . 1 161 20 20 SER CA C 61.280 . 1 162 20 20 SER CB C 61.9800 . . 163 20 20 SER N N 114.00 . 1 164 21 21 ASP H H 7.660 . 1 165 21 21 ASP HA H 4.520 . 1 166 21 21 ASP HB2 H 2.790 . . 167 21 21 ASP HB3 H 2.600 . 2 168 21 21 ASP C C 177.890 . 1 169 21 21 ASP CA C 56.070 . 1 170 21 21 ASP CB C 40.020 . 1 171 21 21 ASP N N 120.570 . 1 172 22 22 LEU H H 7.990 . 1 173 22 22 LEU HA H 3.940 . 1 174 22 22 LEU HB2 H 1.790 . . 175 22 22 LEU HB3 H 1.490 . 2 176 22 22 LEU HD1 H 0.800 . . 177 22 22 LEU HG H 1.530 . 1 178 22 22 LEU C C 178.390 . 1 179 22 22 LEU CA C 57.440 . 1 180 22 22 LEU CB C 41.2700 . 1 181 22 22 LEU CD1 C 25.460 . 2 182 22 22 LEU CG C 27.2500 . 1 183 22 22 LEU N N 120.860 . 1 184 23 23 TRP H H 8.920 . 1 185 23 23 TRP HA H 4.200 . 1 186 23 23 TRP HB2 H 3.220 . . 187 23 23 TRP HB3 H 2.990 . 2 188 23 23 TRP C C 178.090 . 1 189 23 23 TRP CA C 59.310 . 1 190 23 23 TRP CB C 28.550 . 1 191 23 23 TRP N N 119.580 . 1 192 24 24 LYS H H 7.380 . 1 193 24 24 LYS HA H 4.090 . 1 194 24 24 LYS HB2 H 1.870 . . 195 24 24 LYS HB3 H 1.440 . 2 196 24 24 LYS HD2 H 1.710 . . 197 24 24 LYS HD3 H 1.710 . . 198 24 24 LYS HE2 H 3.020 . . 199 24 24 LYS HE3 H 3.020 . . 200 24 24 LYS HG2 H 1.480 . . 201 24 24 LYS HG3 H 1.480 . . 202 24 24 LYS C C 177.360 . 1 203 24 24 LYS CA C 57.750 . 1 204 24 24 LYS CB C 31.980 . 1 205 24 24 LYS CD C 28.680 . 1 206 24 24 LYS CE C 41.450 . 1 207 24 24 LYS CG C 24.570 . 1 208 24 24 LYS N N 116.010 . 1 209 25 25 LEU H H 7.700 . 1 210 25 25 LEU HA H 4.330 . 1 211 25 25 LEU HB2 H 1.880 . . 212 25 25 LEU HB3 H 1.690 . 2 213 25 25 LEU HD1 H 0.800 . . 214 25 25 LEU HD2 H 0.870 . . 215 25 25 LEU HG H 1.830 . 1 216 25 25 LEU C C 177.290 . 1 217 25 25 LEU CA C 54.920 . 1 218 25 25 LEU CB C 42.220 . 1 219 25 25 LEU CD1 C 24.800 . 2 220 25 25 LEU CD2 C 24.800 . 2 221 25 25 LEU CG C 25.900 . 1 222 25 25 LEU N N 118.160 . 1 223 26 26 LEU H H 7.350 . 1 224 26 26 LEU HA H 4.540 . 1 225 26 26 LEU HB2 H 1.650 . . 226 26 26 LEU HB3 H 1.470 . 2 227 26 26 LEU HD1 H 0.800 . . 228 26 26 LEU HD2 H 0.880 . . 229 26 26 LEU HG H 1.790 . 1 230 26 26 LEU C C 175.090 . 1 231 26 26 LEU CA C 53.130 . 1 232 26 26 LEU CB C 40.650 . 1 233 26 26 LEU CD1 C 25.020 . 2 234 26 26 LEU CD2 C 23.120 . 2 235 26 26 LEU CG C 26.1500 . 1 236 26 26 LEU N N 120.260 . 1 237 27 27 PRO HA H 4.550 . 1 238 27 27 PRO HB2 H 2.350 . . 239 27 27 PRO HB3 H 2.020 . 2 240 27 27 PRO HD2 H 3.930 . . 241 27 27 PRO HD3 H 3.930 . . 242 27 27 PRO HG2 H 2.090 . . 243 27 27 PRO HG3 H 2.090 . 2 244 27 27 PRO C C 177.410 . 1 245 27 27 PRO CA C 62.420 . 1 246 27 27 PRO CB C 31.080 . 1 247 27 27 PRO CD C 50.250 . 1 248 27 27 PRO CG C 26.600 . 1 249 28 28 GLU H H 8.670 . 1 250 28 28 GLU HA H 4.210 . 1 251 28 28 GLU HB2 H 1.990 . . 252 28 28 GLU HB3 H 1.990 . . 253 28 28 GLU HG2 H 2.330 . . 254 28 28 GLU HG3 H 2.330 . . 255 28 28 GLU C C 176.540 . 1 256 28 28 GLU CA C 57.020 . 1 257 28 28 GLU CB C 28.980 . 1 258 28 28 GLU CG C 35.1500 . 1 259 28 28 GLU N N 119.490 . 1 260 29 29 ASN H H 8.220 . 1 261 29 29 ASN HA H 4.720 . 1 262 29 29 ASN HB2 H 2.790 . . 263 29 29 ASN HB3 H 2.710 . 2 264 29 29 ASN C C 174.980 . 1 265 29 29 ASN CA C 53.130 . 1 266 29 29 ASN CB C 38.350 . 1 267 29 29 ASN N N 118.090 . 1 268 30 30 ASN H H 8.260 . 1 269 30 30 ASN HA H 4.740 . 1 270 30 30 ASN HB2 H 2.870 . . 271 30 30 ASN HB3 H 2.790 . 2 272 30 30 ASN C C 175.120 . 1 273 30 30 ASN CA C 53.230 . 1 274 30 30 ASN CB C 38.550 . 1 275 30 30 ASN N N 118.720 . 1 276 31 31 VAL H H 8.010 . 1 277 31 31 VAL HA H 4.150 . 1 278 31 31 VAL HB H 2.180 . 1 279 31 31 VAL HG1 H 0.960 . . 280 31 31 VAL C C 175.990 . 1 281 31 31 VAL CA C 62.270 . 1 282 31 31 VAL CB C 31.820 . 1 283 31 31 VAL CG1 C 21.010 . 2 284 31 31 VAL N N 118.920 . 1 285 32 32 LEU H H 8.190 . 1 286 32 32 LEU HA H 4.420 . 1 287 32 32 LEU HB2 H 1.710 . . 288 32 32 LEU HD1 H 0.940 . . 289 32 32 LEU HD2 H 0.890 . . 290 32 32 LEU HG H 1.650 . 1 291 32 32 LEU C C 176.960 . 1 292 32 32 LEU CA C 54.4900 . 1 293 32 32 LEU CB C 41.800 . 1 294 32 32 LEU CD1 C 24.570 . 2 295 32 32 LEU CD2 C 24.5500 . 2 296 32 32 LEU CG C 26.600 . 1 297 32 32 LEU N N 123.760 . 1 298 33 33 SER H H 7.920 . 1 299 33 33 SER HA H 4.790 . 1 300 33 33 SER HB2 H 3.910 . . 301 33 33 SER HB3 H 3.860 . 2 302 33 33 SER C C 172.710 . 1 303 33 33 SER CA C 55.970 . 1 304 33 33 SER CB C 63.020 . . 305 33 33 SER N N 117.150 . 1 306 34 34 PRO HA H 4.510 . 1 307 34 34 PRO HB2 H 2.360 . . 308 34 34 PRO HB3 H 2.010 . 2 309 34 34 PRO HD2 H 3.770 . . 310 34 34 PRO HD3 H 3.770 . 2 311 34 34 PRO HG2 H 2.080 . . 312 34 34 PRO HG3 H 2.080 . 2 313 34 34 PRO C C 176.750 . 1 314 34 34 PRO CA C 62.690 . 1 315 34 34 PRO CB C 31.420 . 1 316 34 34 PRO CD C 50.250 . 1 317 34 34 PRO CG C 26.750 . 1 318 35 35 LEU H H 8.200 . 1 319 35 35 LEU HA H 4.620 . 1 320 35 35 LEU HB2 H 1.740 . . 321 35 35 LEU HD1 H 0.980 . . 322 35 35 LEU HG H 1.630 . 1 323 35 35 LEU C C 175.560 . 1 324 35 35 LEU CA C 52.710 . 1 325 35 35 LEU CB C 41.280 . 1 326 35 35 LEU CD1 C 24.550 . 2 327 35 35 LEU CG C 26.820 . 1 328 35 35 LEU N N 123.00 . 1 329 36 36 PRO HA H 4.850 . 1 330 36 36 PRO HB2 H 2.420 . . 331 36 36 PRO HB3 H 2.190 . 2 332 36 36 PRO HD2 H 3.640 . . 333 36 36 PRO HD3 H 3.580 . 2 334 36 36 PRO HG2 H 2.050 . . 335 36 36 PRO HG3 H 1.890 . 2 336 36 36 PRO C C 176.970 . 1 337 36 36 PRO CA C 62.690 . 1 338 36 36 PRO CB C 31.420 . 1 339 36 36 PRO CD C 49.550 . 1 340 36 36 PRO CG C 26.050 . 1 341 37 37 SER H H 8.280 . 1 342 37 37 SER HA H 4.520 . 1 343 37 37 SER HB2 H 3.920 . . 344 37 37 SER C C 174.580 . 1 345 37 37 SER CA C 55.870 . 1 346 37 37 SER CB C 63.360 . 1 347 37 37 SER N N 115.170 . 1 348 38 38 GLN H H 8.310 . 1 349 38 38 GLN HA H 4.410 . 1 350 38 38 GLN HB2 H 2.200 . . 351 38 38 GLN HG2 H 2.330 . . 352 38 38 GLN HG3 H 2.330 . . 353 38 38 GLN C C 174.650 . 1 354 38 38 GLN CA C 55.550 . 1 355 38 38 GLN CB C 29.190 . 1 356 38 38 GLN CG C 33.360 . 1 357 38 38 GLN N N 122.270 . 1 358 39 39 ALA H H 7.970 . 1 359 39 39 ALA HA H 4.180 . 1 360 39 39 ALA HB H 1.380 . . 361 39 39 ALA CA C 53.490 . 1 362 39 39 ALA CB C 19.550 . 1 363 39 39 ALA N N 130.950 . 1 stop_ save_