data_25958 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; p63/p73 hetero-tetramerisation domain ; _BMRB_accession_number 25958 _BMRB_flat_file_name bmr25958.str _Entry_type original _Submission_date 2016-01-19 _Accession_date 2016-01-19 _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 Gebel Jakob . . 2 Buchner Lena . . 3 Loehr Frank M. . 4 Luh Laura M. . 5 Coutandin Daniel . . 6 Guentert Peter . . 7 Doetsch Volker . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 4 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1310 "13C chemical shifts" 950 "15N chemical shifts" 218 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-12-01 original BMRB . stop_ _Original_release_date 2016-02-08 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title ; Mechanism of TAp73 inhibition by Delta Np63 and structural basis of p63/p73 hetero-tetramerization ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27716744 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Gebel Jakob . . 2 Luh Laura M. . 3 Coutandin Daniel . . 4 Osterburg Christian . . 5 Lohr Frank . . 6 Schafer Birgit . . 7 Frombach Ann-Sophie . . 8 Sumyk Manuela . . 9 Buchner Lena . . 10 Krojer Tobias . . 11 Salah Eidarus . . 12 Mathea Sebastian . . 13 Guntert Peter . . 14 Knapp Stefan . . 15 Dotsch Volker . . stop_ _Journal_abbreviation 'Cell Death Differ.' _Journal_volume 23 _Journal_issue 12 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1930 _Page_last 1940 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'p63/p73 hetero-tetramerisation domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1_1 $p63_tetramerization_domain entity_2_1 $p73_tetramerization_domain entity_1_2 $p63_tetramerization_domain entity_2_2 $p73_tetramerization_domain 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_p63_tetramerization_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common p63_tetramerization_domain _Molecular_mass 7323.260 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 60 _Mol_residue_sequence ; SDDELLYLPVRGRETYEMLL EIKESLELMQYLPQHTIETY RQQQQQQHQHLLQKQTSIQS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 SER 2 2 ASP 3 3 ASP 4 4 GLU 5 5 LEU 6 6 LEU 7 7 TYR 8 8 LEU 9 9 PRO 10 10 VAL 11 11 ARG 12 12 GLY 13 13 ARG 14 14 GLU 15 15 THR 16 16 TYR 17 17 GLU 18 18 MET 19 19 LEU 20 20 LEU 21 21 GLU 22 22 ILE 23 23 LYS 24 24 GLU 25 25 SER 26 26 LEU 27 27 GLU 28 28 LEU 29 29 MET 30 30 GLN 31 31 TYR 32 32 LEU 33 33 PRO 34 34 GLN 35 35 HIS 36 36 THR 37 37 ILE 38 38 GLU 39 39 THR 40 40 TYR 41 41 ARG 42 42 GLN 43 43 GLN 44 44 GLN 45 45 GLN 46 46 GLN 47 47 GLN 48 48 HIS 49 49 GLN 50 50 HIS 51 51 LEU 52 52 LEU 53 53 GLN 54 54 LYS 55 55 GLN 56 56 THR 57 57 SER 58 58 ILE 59 59 GLN 60 60 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_p73_tetramerization_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common p73_tetramerization_domain _Molecular_mass 6034.947 _Mol_thiol_state 'not present' _Details . _Residue_count 50 _Mol_residue_sequence ; GSDEDTYYLQVRGRKNFEIL MKLKESLELMELVPQPLVDS YRQQQQLLQR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 93 GLY 2 94 SER 3 95 ASP 4 96 GLU 5 97 ASP 6 98 THR 7 99 TYR 8 100 TYR 9 101 LEU 10 102 GLN 11 103 VAL 12 104 ARG 13 105 GLY 14 106 ARG 15 107 LYS 16 108 ASN 17 109 PHE 18 110 GLU 19 111 ILE 20 112 LEU 21 113 MET 22 114 LYS 23 115 LEU 24 116 LYS 25 117 GLU 26 118 SER 27 119 LEU 28 120 GLU 29 121 LEU 30 122 MET 31 123 GLU 32 124 LEU 33 125 VAL 34 126 PRO 35 127 GLN 36 128 PRO 37 129 LEU 38 130 VAL 39 131 ASP 40 132 SER 41 133 TYR 42 134 ARG 43 135 GLN 44 136 GLN 45 137 GLN 46 138 GLN 47 139 LEU 48 140 LEU 49 141 GLN 50 142 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $p63_tetramerization_domain human 9606 Eukaryota Metazoa Homo sapiens tp63 $p73_tetramerization_domain human 9606 Eukaryota Metazoa Homo sapiens tp73 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 $p63_tetramerization_domain 'recombinant technology' . Escherichia coli K12 BL21 pBH4 $p73_tetramerization_domain 'recombinant technology' . Escherichia coli K12 BL21 pBH4 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_p63_13C15N_p73 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $p63_tetramerization_domain 0.5 mM '[U-100% 13C; U-100% 15N]' $p73_tetramerization_domain 0.5 mM 'natural abundance' HEPES 25 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_p63_p73_13C15N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $p63_tetramerization_domain 0.5 mM 'natural abundance' $p73_tetramerization_domain 0.5 mM '[U-100% 13C; U-100% 15N]' HEPES 25 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_p63_13C_p63_15N_p73 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $p63_tetramerization_domain 0.5 mM '[U-100% 15N]' $p63_tetramerization_domain 0.5 mM '[U-100% 13C]' $p73_tetramerization_domain 1 mM 'natural abundance' HEPES 25 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' stop_ save_ save_p63_p73_13C_p73_15N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $p63_tetramerization_domain 1 mM 'natural abundance' $p73_tetramerization_domain 0.5 mM '[U-100% 15N]' $p73_tetramerization_domain 0.5 mM '[U-100% 13C]' HEPES 25 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' stop_ save_ save_p63_15N_D2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $p63_tetramerization_domain 0.5 mM '[U-100% 15N]' $p73_tetramerization_domain 0.5 mM 'natural abundance' HEPES 25 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' stop_ save_ save_p73_15N_D2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $p63_tetramerization_domain 0.5 mM 'natural abundance' $p73_tetramerization_domain 0.5 mM '[U-100% 15N]' HEPES 25 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' stop_ save_ save_p63_13C_p63_15N_p73_13C_p73_15N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $p63_tetramerization_domain 0.5 mM '[U-100% 15N]' $p63_tetramerization_domain 0.5 mM '[U-100% 13C]' $p73_tetramerization_domain 0.5 mM '[U-100% 15N]' $p73_tetramerization_domain 0.5 mM '[U-100% 13C]' HEPES 25 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 3.97 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_TALOS+ _Saveframe_category software _Name TALOS+ _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_OPALp _Saveframe_category software _Name OPALp _Version 1.4 loop_ _Vendor _Address _Electronic_address 'Luginbuhl, Guntert, Billeter and Wuthrich' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.114 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.2 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task 'data analysis' processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance II' _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $p63_13C15N_p73 save_ save_3D_HN(CA)CO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $p63_13C15N_p73 save_ save_3D_1H-15N_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $p63_13C15N_p73 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $p63_p73_13C15N save_ save_3D_HN(CA)CO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $p63_p73_13C15N save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $p63_p73_13C15N save_ save_3D_H(CCO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $p63_13C15N_p73 save_ save_3D_C(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $p63_13C15N_p73 save_ save_3D_H(CCO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $p63_p73_13C15N save_ save_3D_C(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $p63_p73_13C15N save_ save_2D_1H-13C_HSQC_aromatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $p63_13C15N_p73 save_ save_2D_1H-13C_HSQC_aromatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $p63_p73_13C15N save_ save_2D_(H)CB(CG)CCH-TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (H)CB(CG)CCH-TOCSY' _Sample_label $p63_13C15N_p73 save_ save_2D_(H)CB(CG)CCH-TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (H)CB(CG)CCH-TOCSY' _Sample_label $p63_p73_13C15N save_ save_2D_(HB)CB(CDCD)HD_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CDCD)HD' _Sample_label $p63_13C15N_p73 save_ save_2D_(HB)CB(CDCD)HD_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CDCD)HD' _Sample_label $p63_p73_13C15N save_ save_3D_1H-13C_NOESY_aromatic_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $p63_13C15N_p73 save_ save_3D_1H-13C_NOESY_aromatic_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $p63_p73_13C15N save_ save_3D_13C/15N-filtered_NOESY-[13C,1H]-HSQC_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C/15N-filtered NOESY-[13C,1H]-HSQC' _Sample_label $p63_13C15N_p73 save_ save_3D_13C/15N-filtered_NOESY-[13C,1H]-HSQC_20 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C/15N-filtered NOESY-[13C,1H]-HSQC' _Sample_label $p63_p73_13C15N save_ save_3D_13C/15N-filtered_NOESY-[15N,1H]-TROSY_21 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C/15N-filtered NOESY-[15N,1H]-TROSY' _Sample_label $p63_13C15N_p73 save_ save_3D_13C/15N-filtered_NOESY-[15N,1H]-TROSY_22 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C/15N-filtered NOESY-[15N,1H]-TROSY' _Sample_label $p63_p73_13C15N save_ save_3D_1H-13C_NOESY_23 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $p63_13C15N_p73 save_ save_3D_1H-13C_NOESY_24 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $p63_p73_13C15N save_ save_2D_1H-13C_HSQC_25 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $p63_13C15N_p73 save_ save_2D_1H-13C_HSQC_26 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $p63_p73_13C15N save_ save_2D_1H-15N_HSQC_27 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $p63_13C15N_p73 save_ save_2D_1H-15N_HSQC_28 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $p63_p73_13C15N save_ save_2D_1H-15N_HSQC_29 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $p63_15N_D2O save_ save_2D_1H-15N_HSQC_30 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $p73_15N_D2O save_ save_3D_lr-HNCO_31 _Saveframe_category NMR_applied_experiment _Experiment_name '3D lr-HNCO' _Sample_label $p63_13C_p63_15N_p73 save_ save_3D_lr-HNCO_32 _Saveframe_category NMR_applied_experiment _Experiment_name '3D lr-HNCO' _Sample_label $p63_p73_13C_p73_15N save_ save_3D_lr-HNCO_33 _Saveframe_category NMR_applied_experiment _Experiment_name '3D lr-HNCO' _Sample_label $p63_13C_p63_15N_p73_13C_p73_15N save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 75 . mM pH 7 . pH pressure 1 . atm temperature 310 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 5 . mM pH 6 . pH pressure 1 . atm temperature 310 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCACB' '3D HN(CA)CO' '3D H(CCO)NH' '3D C(CO)NH' '2D 1H-13C HSQC aromatic' '2D (H)CB(CG)CCH-TOCSY' '2D (HB)CB(CDCD)HD' '2D 1H-13C HSQC' stop_ loop_ _Sample_label $p63_13C15N_p73 $p63_p73_13C15N stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity_1_1 _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 1 SER HA H 4.455 0.020 1 2 1 1 SER HB2 H 3.908 0.020 2 3 1 1 SER HB3 H 3.908 0.020 2 4 1 1 SER C C 174.696 0.400 1 5 1 1 SER CA C 59.385 0.400 1 6 1 1 SER CB C 63.702 0.400 1 7 2 2 ASP H H 8.555 0.020 1 8 2 2 ASP HA H 4.683 0.020 1 9 2 2 ASP HB2 H 2.759 0.020 2 10 2 2 ASP HB3 H 2.644 0.020 2 11 2 2 ASP C C 175.828 0.400 1 12 2 2 ASP CA C 54.685 0.400 1 13 2 2 ASP CB C 40.974 0.400 1 14 2 2 ASP N N 121.276 0.400 1 15 3 3 ASP H H 8.004 0.020 1 16 3 3 ASP HA H 4.580 0.020 1 17 3 3 ASP HB2 H 2.630 0.020 2 18 3 3 ASP HB3 H 2.630 0.020 2 19 3 3 ASP C C 175.884 0.400 1 20 3 3 ASP CA C 54.119 0.400 1 21 3 3 ASP CB C 41.305 0.400 1 22 3 3 ASP N N 119.296 0.400 1 23 4 4 GLU H H 7.945 0.020 1 24 4 4 GLU HA H 4.135 0.020 1 25 4 4 GLU HB2 H 1.959 0.020 2 26 4 4 GLU HB3 H 1.959 0.020 2 27 4 4 GLU HG2 H 2.181 0.020 2 28 4 4 GLU HG3 H 2.261 0.020 2 29 4 4 GLU C C 174.979 0.400 1 30 4 4 GLU CA C 56.871 0.400 1 31 4 4 GLU CB C 30.780 0.400 1 32 4 4 GLU CG C 36.283 0.400 1 33 4 4 GLU N N 120.922 0.400 1 34 5 5 LEU H H 8.042 0.020 1 35 5 5 LEU HA H 4.539 0.020 1 36 5 5 LEU HB2 H 1.487 0.020 2 37 5 5 LEU HB3 H 1.351 0.020 2 38 5 5 LEU HG H 1.290 0.020 1 39 5 5 LEU HD1 H 0.788 0.020 2 40 5 5 LEU HD2 H 0.689 0.020 2 41 5 5 LEU C C 175.305 0.400 1 42 5 5 LEU CA C 54.871 0.400 1 43 5 5 LEU CB C 42.841 0.400 1 44 5 5 LEU CG C 27.198 0.400 1 45 5 5 LEU CD1 C 25.427 0.400 1 46 5 5 LEU CD2 C 24.146 0.400 1 47 5 5 LEU N N 124.551 0.400 1 48 6 6 LEU H H 8.799 0.020 1 49 6 6 LEU HA H 4.512 0.020 1 50 6 6 LEU HB2 H 0.968 0.020 2 51 6 6 LEU HB3 H 1.274 0.020 2 52 6 6 LEU HD1 H 0.330 0.020 2 53 6 6 LEU HD2 H 0.514 0.020 2 54 6 6 LEU C C 174.919 0.400 1 55 6 6 LEU CA C 53.517 0.400 1 56 6 6 LEU CB C 45.589 0.400 1 57 6 6 LEU CG C 26.950 0.400 1 58 6 6 LEU CD1 C 24.896 0.400 1 59 6 6 LEU CD2 C 23.410 0.400 1 60 6 6 LEU N N 127.945 0.400 1 61 7 7 TYR H H 8.583 0.020 1 62 7 7 TYR HA H 5.157 0.020 1 63 7 7 TYR HB2 H 2.840 0.020 2 64 7 7 TYR HB3 H 2.617 0.020 2 65 7 7 TYR HD1 H 6.845 0.020 1 66 7 7 TYR HD2 H 6.845 0.020 1 67 7 7 TYR HE1 H 6.743 0.020 1 68 7 7 TYR HE2 H 6.743 0.020 1 69 7 7 TYR C C 175.335 0.400 1 70 7 7 TYR CA C 57.432 0.400 1 71 7 7 TYR CB C 40.944 0.400 1 72 7 7 TYR CD1 C 132.591 0.400 1 73 7 7 TYR CE1 C 118.012 0.400 1 74 7 7 TYR N N 117.176 0.400 1 75 8 8 LEU H H 9.308 0.020 1 76 8 8 LEU HA H 5.152 0.020 1 77 8 8 LEU HB2 H 2.014 0.020 2 78 8 8 LEU HB3 H 1.395 0.020 2 79 8 8 LEU HD1 H 0.589 0.020 2 80 8 8 LEU HD2 H 0.662 0.020 2 81 8 8 LEU C C 173.946 0.400 1 82 8 8 LEU CA C 51.618 0.400 1 83 8 8 LEU CB C 45.412 0.400 1 84 8 8 LEU CD1 C 27.204 0.400 1 85 8 8 LEU CD2 C 25.251 0.400 1 86 8 8 LEU N N 128.094 0.400 1 87 9 9 PRO HA H 4.527 0.020 1 88 9 9 PRO HB2 H 1.757 0.020 2 89 9 9 PRO HB3 H 1.919 0.020 2 90 9 9 PRO HG2 H 2.163 0.020 2 91 9 9 PRO HG3 H 2.158 0.020 2 92 9 9 PRO HD2 H 3.864 0.020 2 93 9 9 PRO HD3 H 4.392 0.020 2 94 9 9 PRO C C 176.758 0.400 1 95 9 9 PRO CA C 62.090 0.400 1 96 9 9 PRO CB C 31.873 0.400 1 97 9 9 PRO CG C 27.887 0.400 1 98 9 9 PRO CD C 51.406 0.400 1 99 10 10 VAL H H 9.193 0.020 1 100 10 10 VAL HA H 4.209 0.020 1 101 10 10 VAL HB H 1.959 0.020 1 102 10 10 VAL HG1 H 0.914 0.020 2 103 10 10 VAL HG2 H 0.914 0.020 2 104 10 10 VAL C C 173.446 0.400 1 105 10 10 VAL CA C 61.618 0.400 1 106 10 10 VAL CB C 35.669 0.400 1 107 10 10 VAL CG1 C 22.539 0.400 1 108 10 10 VAL N N 124.047 0.400 1 109 11 11 ARG H H 9.053 0.020 1 110 11 11 ARG HA H 4.699 0.020 1 111 11 11 ARG HB2 H 1.813 0.020 2 112 11 11 ARG HB3 H 1.632 0.020 2 113 11 11 ARG HG2 H 1.523 0.020 2 114 11 11 ARG HG3 H 1.523 0.020 2 115 11 11 ARG HD2 H 3.164 0.020 2 116 11 11 ARG HD3 H 3.164 0.020 2 117 11 11 ARG HE H 7.298 0.020 1 118 11 11 ARG C C 176.092 0.400 1 119 11 11 ARG CA C 55.367 0.400 1 120 11 11 ARG CB C 30.605 0.400 1 121 11 11 ARG CG C 27.566 0.400 1 122 11 11 ARG CD C 43.376 0.400 1 123 11 11 ARG N N 127.433 0.400 1 124 11 11 ARG NE N 84.80 0.400 1 125 12 12 GLY H H 8.614 0.020 1 126 12 12 GLY HA2 H 4.507 0.020 2 127 12 12 GLY HA3 H 3.770 0.020 2 128 12 12 GLY C C 173.823 0.400 1 129 12 12 GLY CA C 44.951 0.400 1 130 12 12 GLY N N 115.279 0.400 1 131 13 13 ARG H H 8.774 0.020 1 132 13 13 ARG HA H 3.852 0.020 1 133 13 13 ARG HB2 H 1.895 0.020 2 134 13 13 ARG HB3 H 1.895 0.020 2 135 13 13 ARG HG2 H 1.690 0.020 2 136 13 13 ARG HG3 H 1.690 0.020 2 137 13 13 ARG HD2 H 3.196 0.020 2 138 13 13 ARG HD3 H 3.196 0.020 2 139 13 13 ARG HE H 7.620 0.020 1 140 13 13 ARG C C 177.793 0.400 1 141 13 13 ARG CA C 59.204 0.400 1 142 13 13 ARG CB C 29.767 0.400 1 143 13 13 ARG CG C 27.031 0.400 1 144 13 13 ARG CD C 42.716 0.400 1 145 13 13 ARG N N 125.500 0.400 1 146 13 13 ARG NE N 83.99 0.400 1 147 14 14 GLU H H 8.888 0.020 1 148 14 14 GLU HA H 4.082 0.020 1 149 14 14 GLU HB2 H 2.037 0.020 2 150 14 14 GLU HB3 H 2.037 0.020 2 151 14 14 GLU HG2 H 2.306 0.020 2 152 14 14 GLU HG3 H 2.306 0.020 2 153 14 14 GLU C C 179.794 0.400 1 154 14 14 GLU CA C 60.362 0.400 1 155 14 14 GLU CB C 28.959 0.400 1 156 14 14 GLU CG C 36.906 0.400 1 157 14 14 GLU N N 119.254 0.400 1 158 15 15 THR H H 7.958 0.020 1 159 15 15 THR HA H 3.784 0.020 1 160 15 15 THR HB H 4.058 0.020 1 161 15 15 THR HG2 H 1.188 0.020 1 162 15 15 THR C C 175.457 0.400 1 163 15 15 THR CA C 66.498 0.400 1 164 15 15 THR CB C 67.813 0.400 1 165 15 15 THR CG2 C 23.072 0.400 1 166 15 15 THR N N 117.699 0.400 1 167 16 16 TYR H H 8.042 0.020 1 168 16 16 TYR HA H 3.742 0.020 1 169 16 16 TYR HB2 H 3.237 0.020 2 170 16 16 TYR HB3 H 2.820 0.020 2 171 16 16 TYR HD1 H 6.777 0.020 1 172 16 16 TYR HD2 H 6.777 0.020 1 173 16 16 TYR HE1 H 6.677 0.020 1 174 16 16 TYR HE2 H 6.677 0.020 1 175 16 16 TYR C C 175.895 0.400 1 176 16 16 TYR CA C 63.096 0.400 1 177 16 16 TYR CB C 39.224 0.400 1 178 16 16 TYR CD1 C 133.116 0.400 1 179 16 16 TYR CE1 C 118.368 0.400 1 180 16 16 TYR N N 122.365 0.400 1 181 17 17 GLU H H 8.713 0.020 1 182 17 17 GLU HA H 3.827 0.020 1 183 17 17 GLU HB2 H 2.124 0.020 2 184 17 17 GLU HB3 H 2.124 0.020 2 185 17 17 GLU HG2 H 2.684 0.020 2 186 17 17 GLU HG3 H 2.426 0.020 2 187 17 17 GLU C C 179.448 0.400 1 188 17 17 GLU CA C 59.879 0.400 1 189 17 17 GLU CB C 29.245 0.400 1 190 17 17 GLU CG C 37.199 0.400 1 191 17 17 GLU N N 116.940 0.400 1 192 18 18 MET H H 7.505 0.020 1 193 18 18 MET HA H 4.291 0.020 1 194 18 18 MET HB2 H 2.575 0.020 2 195 18 18 MET HB3 H 2.421 0.020 2 196 18 18 MET HG2 H 2.219 0.020 2 197 18 18 MET HG3 H 2.219 0.020 2 198 18 18 MET HE H 2.013 0.020 1 199 18 18 MET C C 178.050 0.400 1 200 18 18 MET CA C 58.815 0.400 1 201 18 18 MET CB C 32.736 0.400 1 202 18 18 MET CE C 18.011 0.400 1 203 18 18 MET N N 118.965 0.400 1 204 19 19 LEU H H 8.151 0.020 1 205 19 19 LEU HA H 3.823 0.020 1 206 19 19 LEU HB2 H 1.066 0.020 2 207 19 19 LEU HB3 H 1.787 0.020 2 208 19 19 LEU HG H 1.442 0.020 1 209 19 19 LEU HD1 H 0.670 0.020 2 210 19 19 LEU HD2 H 0.670 0.020 2 211 19 19 LEU C C 178.443 0.400 1 212 19 19 LEU CA C 57.561 0.400 1 213 19 19 LEU CB C 41.755 0.400 1 214 19 19 LEU CG C 27.231 0.400 1 215 19 19 LEU CD1 C 22.993 0.400 1 216 19 19 LEU N N 117.499 0.400 1 217 20 20 LEU H H 8.649 0.020 1 218 20 20 LEU HA H 3.764 0.020 1 219 20 20 LEU HB2 H 1.247 0.020 2 220 20 20 LEU HB3 H 1.247 0.020 2 221 20 20 LEU HG H 1.430 0.020 1 222 20 20 LEU HD1 H 0.846 0.020 2 223 20 20 LEU HD2 H 0.846 0.020 2 224 20 20 LEU C C 178.475 0.400 1 225 20 20 LEU CA C 58.702 0.400 1 226 20 20 LEU CB C 41.865 0.400 1 227 20 20 LEU CG C 26.812 0.400 1 228 20 20 LEU CD1 C 24.962 0.400 1 229 20 20 LEU N N 120.873 0.400 1 230 21 21 GLU H H 7.379 0.020 1 231 21 21 GLU HA H 4.061 0.020 1 232 21 21 GLU HB2 H 2.069 0.020 2 233 21 21 GLU HB3 H 2.179 0.020 2 234 21 21 GLU HG2 H 2.208 0.020 2 235 21 21 GLU HG3 H 2.436 0.020 2 236 21 21 GLU C C 179.572 0.400 1 237 21 21 GLU CA C 59.700 0.400 1 238 21 21 GLU CB C 29.294 0.400 1 239 21 21 GLU CG C 35.703 0.400 1 240 21 21 GLU N N 118.433 0.400 1 241 22 22 ILE H H 7.649 0.020 1 242 22 22 ILE HA H 3.715 0.020 1 243 22 22 ILE HB H 1.807 0.020 1 244 22 22 ILE HG12 H 1.728 0.020 2 245 22 22 ILE HG13 H 1.136 0.020 2 246 22 22 ILE HG2 H 0.784 0.020 1 247 22 22 ILE HD1 H 0.746 0.020 1 248 22 22 ILE C C 177.909 0.400 1 249 22 22 ILE CA C 64.520 0.400 1 250 22 22 ILE CB C 37.912 0.400 1 251 22 22 ILE CG1 C 28.189 0.400 1 252 22 22 ILE CG2 C 18.339 0.400 1 253 22 22 ILE CD1 C 13.936 0.400 1 254 22 22 ILE N N 116.978 0.400 1 255 23 23 LYS H H 9.094 0.020 1 256 23 23 LYS HA H 3.708 0.020 1 257 23 23 LYS HB2 H 2.042 0.020 2 258 23 23 LYS HB3 H 2.042 0.020 2 259 23 23 LYS HG2 H 1.468 0.020 2 260 23 23 LYS HG3 H 1.468 0.020 2 261 23 23 LYS HD2 H 1.866 0.020 2 262 23 23 LYS HD3 H 1.477 0.020 2 263 23 23 LYS HE2 H 2.979 0.020 2 264 23 23 LYS HE3 H 2.979 0.020 2 265 23 23 LYS C C 177.322 0.400 1 266 23 23 LYS CA C 60.543 0.400 1 267 23 23 LYS CB C 32.495 0.400 1 268 23 23 LYS CG C 25.116 0.400 1 269 23 23 LYS CD C 29.918 0.400 1 270 23 23 LYS CE C 42.419 0.400 1 271 23 23 LYS N N 122.631 0.400 1 272 24 24 GLU H H 8.320 0.020 1 273 24 24 GLU HA H 4.241 0.020 1 274 24 24 GLU HB2 H 2.261 0.020 2 275 24 24 GLU HB3 H 2.261 0.020 2 276 24 24 GLU HG2 H 2.252 0.020 2 277 24 24 GLU HG3 H 2.562 0.020 2 278 24 24 GLU C C 177.755 0.400 1 279 24 24 GLU CA C 59.767 0.400 1 280 24 24 GLU CB C 29.767 0.400 1 281 24 24 GLU CG C 37.220 0.400 1 282 24 24 GLU N N 117.756 0.400 1 283 25 25 SER H H 7.425 0.020 1 284 25 25 SER HA H 4.174 0.020 1 285 25 25 SER HB2 H 3.973 0.020 2 286 25 25 SER HB3 H 3.767 0.020 2 287 25 25 SER C C 175.840 0.400 1 288 25 25 SER CA C 62.272 0.400 1 289 25 25 SER CB C 63.277 0.400 1 290 25 25 SER N N 114.010 0.400 1 291 26 26 LEU H H 7.625 0.020 1 292 26 26 LEU HA H 4.045 0.020 1 293 26 26 LEU HB2 H 1.481 0.020 2 294 26 26 LEU HB3 H 1.481 0.020 2 295 26 26 LEU HG H 1.821 0.020 1 296 26 26 LEU HD1 H 0.855 0.020 2 297 26 26 LEU C C 180.418 0.400 1 298 26 26 LEU CA C 57.999 0.400 1 299 26 26 LEU CB C 42.710 0.400 1 300 26 26 LEU CG C 26.763 0.400 1 301 26 26 LEU CD1 C 22.608 0.400 1 302 26 26 LEU N N 122.202 0.400 1 303 27 27 GLU H H 8.593 0.020 1 304 27 27 GLU HA H 4.079 0.020 1 305 27 27 GLU HG2 H 2.789 0.020 2 306 27 27 GLU HG3 H 2.346 0.020 2 307 27 27 GLU C C 180.128 0.400 1 308 27 27 GLU CA C 59.636 0.400 1 309 27 27 GLU CB C 29.557 0.400 1 310 27 27 GLU CG C 38.354 0.400 1 311 27 27 GLU N N 118.591 0.400 1 312 28 28 LEU H H 8.468 0.020 1 313 28 28 LEU HA H 3.967 0.020 1 314 28 28 LEU HB2 H 1.817 0.020 2 315 28 28 LEU HB3 H 1.227 0.020 2 316 28 28 LEU HD1 H 0.657 0.020 2 317 28 28 LEU HD2 H 0.469 0.020 2 318 28 28 LEU C C 178.567 0.400 1 319 28 28 LEU CA C 57.289 0.400 1 320 28 28 LEU CB C 41.847 0.400 1 321 28 28 LEU CD1 C 26.940 0.400 1 322 28 28 LEU CD2 C 23.989 0.400 1 323 28 28 LEU N N 119.793 0.400 1 324 29 29 MET H H 7.279 0.020 1 325 29 29 MET HA H 3.928 0.020 1 326 29 29 MET HB2 H 2.098 0.020 2 327 29 29 MET HB3 H 2.012 0.020 2 328 29 29 MET HG2 H 2.587 0.020 2 329 29 29 MET HG3 H 2.688 0.020 2 330 29 29 MET HE H 1.943 0.020 1 331 29 29 MET C C 177.907 0.400 1 332 29 29 MET CA C 58.463 0.400 1 333 29 29 MET CB C 33.047 0.400 1 334 29 29 MET CG C 31.955 0.400 1 335 29 29 MET CE C 17.262 0.400 1 336 29 29 MET N N 115.804 0.400 1 337 30 30 GLN H H 7.138 0.020 1 338 30 30 GLN HA H 4.120 0.020 1 339 30 30 GLN HB2 H 1.969 0.020 2 340 30 30 GLN HB3 H 1.881 0.020 2 341 30 30 GLN HG2 H 2.253 0.020 2 342 30 30 GLN HG3 H 2.253 0.020 2 343 30 30 GLN C C 176.520 0.400 1 344 30 30 GLN CA C 56.935 0.400 1 345 30 30 GLN CB C 28.342 0.400 1 346 30 30 GLN CG C 33.415 0.400 1 347 30 30 GLN N N 114.048 0.400 1 348 31 31 TYR H H 7.764 0.020 1 349 31 31 TYR HA H 4.483 0.020 1 350 31 31 TYR HB2 H 3.313 0.020 2 351 31 31 TYR HB3 H 2.928 0.020 2 352 31 31 TYR HD1 H 7.258 0.020 1 353 31 31 TYR HD2 H 7.258 0.020 1 354 31 31 TYR HE1 H 6.796 0.020 1 355 31 31 TYR HE2 H 6.796 0.020 1 356 31 31 TYR C C 176.095 0.400 1 357 31 31 TYR CA C 58.425 0.400 1 358 31 31 TYR CB C 38.492 0.400 1 359 31 31 TYR CD1 C 133.087 0.400 1 360 31 31 TYR N N 117.000 0.400 1 361 32 32 LEU H H 7.368 0.020 1 362 32 32 LEU HA H 2.906 0.020 1 363 32 32 LEU HB2 H 1.920 0.020 2 364 32 32 LEU HB3 H 1.920 0.020 2 365 32 32 LEU HG H 0.871 0.020 1 366 32 32 LEU C C 174.141 0.400 1 367 32 32 LEU CA C 52.337 0.400 1 368 32 32 LEU CB C 42.269 0.400 1 369 32 32 LEU CG C 27.404 0.400 1 370 32 32 LEU N N 120.517 0.400 1 371 33 33 PRO HD2 H 3.520 0.020 2 372 33 33 PRO HD3 H 4.007 0.020 2 373 33 33 PRO CD C 50.551 0.400 1 374 34 34 GLN HA H 4.547 0.020 1 375 34 34 GLN HB2 H 2.429 0.020 2 376 34 34 GLN HB3 H 1.806 0.020 2 377 34 34 GLN CB C 32.286 0.400 1 378 35 35 HIS H H 8.869 0.020 1 379 35 35 HIS HA H 4.472 0.020 1 380 35 35 HIS HB2 H 3.298 0.020 2 381 35 35 HIS HB3 H 3.115 0.020 2 382 35 35 HIS HD2 H 7.146 0.020 1 383 35 35 HIS HE1 H 7.927 0.020 1 384 35 35 HIS C C 177.836 0.400 1 385 35 35 HIS CA C 59.366 0.400 1 386 35 35 HIS CB C 29.512 0.400 1 387 35 35 HIS CD2 C 120.025 0.400 1 388 35 35 HIS CE1 C 138.550 0.400 1 389 35 35 HIS N N 124.090 0.400 1 390 36 36 THR H H 7.138 0.020 1 391 36 36 THR HA H 3.946 0.020 1 392 36 36 THR HB H 4.157 0.020 1 393 36 36 THR HG2 H 1.251 0.020 1 394 36 36 THR C C 176.029 0.400 1 395 36 36 THR CA C 66.606 0.400 1 396 36 36 THR CB C 68.598 0.400 1 397 36 36 THR CG2 C 22.866 0.400 1 398 36 36 THR N N 119.182 0.400 1 399 37 37 ILE H H 7.193 0.020 1 400 37 37 ILE HA H 3.562 0.020 1 401 37 37 ILE HB H 1.917 0.020 1 402 37 37 ILE HG12 H 0.897 0.020 2 403 37 37 ILE HG13 H 1.513 0.020 2 404 37 37 ILE HG2 H 0.812 0.020 1 405 37 37 ILE HD1 H 0.823 0.020 1 406 37 37 ILE C C 177.685 0.400 1 407 37 37 ILE CA C 65.667 0.400 1 408 37 37 ILE CB C 38.204 0.400 1 409 37 37 ILE CG1 C 29.223 0.400 1 410 37 37 ILE CG2 C 16.687 0.400 1 411 37 37 ILE CD1 C 13.468 0.400 1 412 37 37 ILE N N 122.903 0.400 1 413 38 38 GLU H H 8.578 0.020 1 414 38 38 GLU HA H 4.049 0.020 1 415 38 38 GLU HB2 H 2.098 0.020 2 416 38 38 GLU HB3 H 2.098 0.020 2 417 38 38 GLU HG2 H 2.410 0.020 2 418 38 38 GLU HG3 H 2.341 0.020 2 419 38 38 GLU C C 179.575 0.400 1 420 38 38 GLU CA C 59.745 0.400 1 421 38 38 GLU CB C 29.441 0.400 1 422 38 38 GLU CG C 36.448 0.400 1 423 38 38 GLU N N 118.719 0.400 1 424 39 39 THR H H 8.124 0.020 1 425 39 39 THR HA H 3.936 0.020 1 426 39 39 THR HB H 4.264 0.020 1 427 39 39 THR HG2 H 1.245 0.020 1 428 39 39 THR C C 176.203 0.400 1 429 39 39 THR CA C 66.989 0.400 1 430 39 39 THR CB C 68.845 0.400 1 431 39 39 THR CG2 C 21.508 0.400 1 432 39 39 THR N N 116.297 0.400 1 433 40 40 TYR H H 7.730 0.020 1 434 40 40 TYR HA H 4.223 0.020 1 435 40 40 TYR HB2 H 3.329 0.020 2 436 40 40 TYR HB3 H 3.094 0.020 2 437 40 40 TYR HD1 H 7.059 0.020 1 438 40 40 TYR HD2 H 7.059 0.020 1 439 40 40 TYR HE1 H 6.793 0.020 1 440 40 40 TYR HE2 H 6.793 0.020 1 441 40 40 TYR C C 178.058 0.400 1 442 40 40 TYR CA C 61.902 0.400 1 443 40 40 TYR CB C 38.583 0.400 1 444 40 40 TYR CD1 C 133.346 0.400 1 445 40 40 TYR CE1 C 118.182 0.400 1 446 40 40 TYR N N 123.453 0.400 1 447 41 41 ARG H H 8.635 0.020 1 448 41 41 ARG HA H 3.802 0.020 1 449 41 41 ARG HB2 H 1.950 0.020 2 450 41 41 ARG HB3 H 1.950 0.020 2 451 41 41 ARG HG2 H 1.782 0.020 2 452 41 41 ARG HG3 H 1.782 0.020 2 453 41 41 ARG HD2 H 3.051 0.020 2 454 41 41 ARG HD3 H 3.051 0.020 2 455 41 41 ARG HE H 8.491 0.020 1 456 41 41 ARG C C 179.552 0.400 1 457 41 41 ARG CA C 60.487 0.400 1 458 41 41 ARG CB C 30.078 0.400 1 459 41 41 ARG CG C 29.165 0.400 1 460 41 41 ARG CD C 43.879 0.400 1 461 41 41 ARG N N 119.944 0.400 1 462 41 41 ARG NE N 86.84 0.400 1 463 42 42 GLN H H 8.225 0.020 1 464 42 42 GLN HA H 4.083 0.020 1 465 42 42 GLN HG2 H 2.568 0.020 2 466 42 42 GLN HG3 H 2.365 0.020 2 467 42 42 GLN C C 178.700 0.400 1 468 42 42 GLN CA C 58.828 0.400 1 469 42 42 GLN CB C 28.352 0.400 1 470 42 42 GLN CG C 33.973 0.400 1 471 42 42 GLN N N 119.455 0.400 1 472 43 43 GLN H H 7.894 0.020 1 473 43 43 GLN HA H 4.088 0.020 1 474 43 43 GLN HG2 H 2.565 0.020 2 475 43 43 GLN HG3 H 2.370 0.020 2 476 43 43 GLN C C 178.664 0.400 1 477 43 43 GLN CA C 58.347 0.400 1 478 43 43 GLN CB C 28.179 0.400 1 479 43 43 GLN CG C 34.038 0.400 1 480 43 43 GLN N N 118.905 0.400 1 481 44 44 GLN H H 8.034 0.020 1 482 44 44 GLN HA H 3.947 0.020 1 483 44 44 GLN HG2 H 2.027 0.020 2 484 44 44 GLN HG3 H 2.027 0.020 2 485 44 44 GLN C C 178.320 0.400 1 486 44 44 GLN CA C 57.285 0.400 1 487 44 44 GLN CB C 28.161 0.400 1 488 44 44 GLN CG C 33.561 0.400 1 489 44 44 GLN N N 117.762 0.400 1 490 45 45 GLN H H 7.997 0.020 1 491 45 45 GLN HA H 4.191 0.020 1 492 45 45 GLN HB2 H 2.196 0.020 2 493 45 45 GLN HB3 H 2.196 0.020 2 494 45 45 GLN HG2 H 2.475 0.020 2 495 45 45 GLN HG3 H 2.475 0.020 2 496 45 45 GLN C C 177.742 0.400 1 497 45 45 GLN CA C 58.171 0.400 1 498 45 45 GLN CB C 28.493 0.400 1 499 45 45 GLN CG C 33.959 0.400 1 500 45 45 GLN N N 119.382 0.400 1 501 46 46 GLN H H 7.870 0.020 1 502 46 46 GLN HA H 4.196 0.020 1 503 46 46 GLN HB2 H 2.143 0.020 2 504 46 46 GLN HB3 H 2.143 0.020 2 505 46 46 GLN HG2 H 2.452 0.020 2 506 46 46 GLN HG3 H 2.452 0.020 2 507 46 46 GLN C C 177.540 0.400 1 508 46 46 GLN CA C 57.685 0.400 1 509 46 46 GLN CB C 28.743 0.400 1 510 46 46 GLN CG C 34.010 0.400 1 511 46 46 GLN N N 118.664 0.400 1 512 47 47 GLN H H 8.043 0.020 1 513 47 47 GLN C C 177.073 0.400 1 514 47 47 GLN CA C 57.328 0.400 1 515 47 47 GLN CB C 28.925 0.400 1 516 47 47 GLN N N 118.622 0.400 1 517 48 48 HIS HA H 4.573 0.020 1 518 48 48 HIS HB2 H 3.184 0.020 2 519 48 48 HIS HB3 H 3.300 0.020 2 520 48 48 HIS HD2 H 7.207 0.020 1 521 48 48 HIS C C 176.277 0.400 1 522 48 48 HIS CA C 57.913 0.400 1 523 48 48 HIS CB C 30.219 0.400 1 524 48 48 HIS CD2 C 121.459 0.400 1 525 49 49 GLN H H 8.117 0.020 1 526 49 49 GLN HA H 4.215 0.020 1 527 49 49 GLN HB2 H 2.093 0.020 2 528 49 49 GLN HB3 H 2.093 0.020 2 529 49 49 GLN HG2 H 2.385 0.020 2 530 49 49 GLN HG3 H 2.385 0.020 2 531 49 49 GLN C C 176.896 0.400 1 532 49 49 GLN CA C 57.545 0.400 1 533 49 49 GLN CB C 28.874 0.400 1 534 49 49 GLN CG C 33.945 0.400 1 535 49 49 GLN N N 119.554 0.400 1 536 50 50 HIS H H 8.138 0.020 1 537 50 50 HIS HA H 4.548 0.020 1 538 50 50 HIS HB2 H 3.148 0.020 2 539 50 50 HIS HB3 H 3.148 0.020 2 540 50 50 HIS HD2 H 7.035 0.020 1 541 50 50 HIS C C 176.265 0.400 1 542 50 50 HIS CA C 57.300 0.400 1 543 50 50 HIS CB C 30.189 0.400 1 544 50 50 HIS CD2 C 120.038 0.400 1 545 50 50 HIS N N 118.665 0.400 1 546 51 51 LEU H H 7.809 0.020 1 547 51 51 LEU HA H 4.170 0.020 1 548 51 51 LEU HB2 H 1.629 0.020 2 549 51 51 LEU HB3 H 1.629 0.020 2 550 51 51 LEU HG H 1.458 0.020 1 551 51 51 LEU HD1 H 0.822 0.020 2 552 51 51 LEU HD2 H 0.822 0.020 2 553 51 51 LEU C C 177.627 0.400 1 554 51 51 LEU CA C 56.203 0.400 1 555 51 51 LEU CB C 42.144 0.400 1 556 51 51 LEU CG C 26.996 0.400 1 557 51 51 LEU CD1 C 25.037 0.400 1 558 51 51 LEU CD2 C 23.883 0.400 1 559 51 51 LEU N N 121.208 0.400 1 560 52 52 LEU H H 7.924 0.020 1 561 52 52 LEU HA H 4.178 0.020 1 562 52 52 LEU HB2 H 1.564 0.020 2 563 52 52 LEU HB3 H 1.564 0.020 2 564 52 52 LEU HG H 1.562 0.020 1 565 52 52 LEU HD1 H 0.830 0.020 2 566 52 52 LEU HD2 H 0.830 0.020 2 567 52 52 LEU C C 177.799 0.400 1 568 52 52 LEU CA C 55.993 0.400 1 569 52 52 LEU CB C 42.118 0.400 1 570 52 52 LEU CG C 26.999 0.400 1 571 52 52 LEU CD1 C 25.008 0.400 1 572 52 52 LEU CD2 C 23.567 0.400 1 573 52 52 LEU N N 120.700 0.400 1 574 53 53 GLN H H 7.986 0.020 1 575 53 53 GLN HA H 4.215 0.020 1 576 53 53 GLN HB2 H 2.086 0.020 2 577 53 53 GLN HB3 H 2.013 0.020 2 578 53 53 GLN HG2 H 2.352 0.020 2 579 53 53 GLN HG3 H 2.352 0.020 2 580 53 53 GLN C C 176.327 0.400 1 581 53 53 GLN CA C 56.492 0.400 1 582 53 53 GLN CB C 29.202 0.400 1 583 53 53 GLN CG C 33.904 0.400 1 584 53 53 GLN N N 119.631 0.400 1 585 54 54 LYS H H 8.053 0.020 1 586 54 54 LYS HA H 4.227 0.020 1 587 54 54 LYS HB2 H 1.795 0.020 2 588 54 54 LYS HB3 H 1.735 0.020 2 589 54 54 LYS HG2 H 1.404 0.020 2 590 54 54 LYS HG3 H 1.358 0.020 2 591 54 54 LYS HD2 H 1.622 0.020 2 592 54 54 LYS HD3 H 1.622 0.020 2 593 54 54 LYS HE2 H 2.931 0.020 2 594 54 54 LYS HE3 H 2.931 0.020 2 595 54 54 LYS C C 176.812 0.400 1 596 54 54 LYS CA C 56.680 0.400 1 597 54 54 LYS CB C 32.898 0.400 1 598 54 54 LYS CG C 24.731 0.400 1 599 54 54 LYS CD C 29.071 0.400 1 600 54 54 LYS CE C 42.176 0.400 1 601 54 54 LYS N N 121.278 0.400 1 602 55 55 GLN H H 8.249 0.020 1 603 55 55 GLN HA H 4.322 0.020 1 604 55 55 GLN HB2 H 2.081 0.020 2 605 55 55 GLN HB3 H 1.959 0.020 2 606 55 55 GLN HG2 H 2.296 0.020 2 607 55 55 GLN HG3 H 2.296 0.020 2 608 55 55 GLN C C 176.291 0.400 1 609 55 55 GLN CA C 56.199 0.400 1 610 55 55 GLN CB C 29.392 0.400 1 611 55 55 GLN CG C 33.814 0.400 1 612 55 55 GLN N N 120.539 0.400 1 613 56 56 THR H H 8.063 0.020 1 614 56 56 THR HA H 4.347 0.020 1 615 56 56 THR HB H 4.233 0.020 1 616 56 56 THR HG2 H 1.196 0.020 1 617 56 56 THR C C 174.526 0.400 1 618 56 56 THR CA C 62.075 0.400 1 619 56 56 THR CB C 69.852 0.400 1 620 56 56 THR CG2 C 21.600 0.400 1 621 56 56 THR N N 114.334 0.400 1 622 57 57 SER H H 8.163 0.020 1 623 57 57 SER HA H 4.502 0.020 1 624 57 57 SER HB2 H 3.868 0.020 2 625 57 57 SER HB3 H 3.868 0.020 2 626 57 57 SER C C 174.275 0.400 1 627 57 57 SER CA C 58.405 0.400 1 628 57 57 SER CB C 63.949 0.400 1 629 57 57 SER N N 117.856 0.400 1 630 58 58 ILE H H 8.049 0.020 1 631 58 58 ILE HA H 4.194 0.020 1 632 58 58 ILE HB H 1.856 0.020 1 633 58 58 ILE HG12 H 1.445 0.020 2 634 58 58 ILE HG13 H 1.162 0.020 2 635 58 58 ILE HG2 H 0.881 0.020 1 636 58 58 ILE HD1 H 0.827 0.020 1 637 58 58 ILE C C 176.006 0.400 1 638 58 58 ILE CA C 61.275 0.400 1 639 58 58 ILE CB C 38.820 0.400 1 640 58 58 ILE CG1 C 27.288 0.400 1 641 58 58 ILE CG2 C 17.571 0.400 1 642 58 58 ILE CD1 C 13.017 0.400 1 643 58 58 ILE N N 122.144 0.400 1 644 59 59 GLN H H 8.327 0.020 1 645 59 59 GLN HA H 4.416 0.020 1 646 59 59 GLN HB2 H 2.143 0.020 2 647 59 59 GLN HB3 H 1.985 0.020 2 648 59 59 GLN HG2 H 2.367 0.020 2 649 59 59 GLN HG3 H 2.367 0.020 2 650 59 59 GLN C C 174.974 0.400 1 651 59 59 GLN CA C 55.845 0.400 1 652 59 59 GLN CB C 29.748 0.400 1 653 59 59 GLN CG C 33.916 0.400 1 654 59 59 GLN N N 124.842 0.400 1 655 60 60 SER H H 7.961 0.020 1 656 60 60 SER HA H 4.267 0.020 1 657 60 60 SER HB2 H 3.837 0.020 2 658 60 60 SER HB3 H 3.837 0.020 2 659 60 60 SER CA C 60.023 0.400 1 660 60 60 SER CB C 64.970 0.400 1 661 60 60 SER N N 123.632 0.400 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCACB' '3D HN(CA)CO' '3D H(CCO)NH' '3D C(CO)NH' '2D 1H-13C HSQC aromatic' '2D (H)CB(CG)CCH-TOCSY' '2D (HB)CB(CDCD)HD' '2D 1H-13C HSQC' stop_ loop_ _Sample_label $p63_13C15N_p73 $p63_p73_13C15N stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity_2_1 _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 94 2 SER HB2 H 3.928 0.020 2 2 94 2 SER HB3 H 3.890 0.020 2 3 94 2 SER CA C 58.711 0.400 1 4 94 2 SER CB C 63.860 0.400 1 5 95 3 ASP H H 8.562 0.020 1 6 95 3 ASP HA H 4.639 0.020 1 7 95 3 ASP HB2 H 2.764 0.020 2 8 95 3 ASP HB3 H 2.665 0.020 2 9 95 3 ASP C C 176.278 0.400 1 10 95 3 ASP CA C 54.810 0.400 1 11 95 3 ASP CB C 41.016 0.400 1 12 95 3 ASP N N 122.025 0.400 1 13 96 4 GLU H H 8.250 0.020 1 14 96 4 GLU HA H 4.298 0.020 1 15 96 4 GLU HB2 H 2.122 0.020 2 16 96 4 GLU HB3 H 1.905 0.020 2 17 96 4 GLU HG2 H 2.250 0.020 2 18 96 4 GLU HG3 H 2.250 0.020 2 19 96 4 GLU C C 176.192 0.400 1 20 96 4 GLU CA C 56.585 0.400 1 21 96 4 GLU CB C 30.397 0.400 1 22 96 4 GLU CG C 36.418 0.400 1 23 96 4 GLU N N 120.066 0.400 1 24 97 5 ASP H H 8.201 0.020 1 25 97 5 ASP HA H 4.573 0.020 1 26 97 5 ASP HB2 H 2.601 0.020 2 27 97 5 ASP HB3 H 2.601 0.020 2 28 97 5 ASP C C 174.498 0.400 1 29 97 5 ASP CA C 54.406 0.400 1 30 97 5 ASP CB C 41.369 0.400 1 31 97 5 ASP N N 121.351 0.400 1 32 98 6 THR H H 7.557 0.020 1 33 98 6 THR HA H 4.655 0.020 1 34 98 6 THR HB H 3.722 0.020 1 35 98 6 THR HG2 H 0.862 0.020 1 36 98 6 THR C C 172.624 0.400 1 37 98 6 THR CA C 62.159 0.400 1 38 98 6 THR CB C 70.272 0.400 1 39 98 6 THR CG2 C 21.804 0.400 1 40 98 6 THR N N 114.380 0.400 1 41 99 7 TYR H H 8.926 0.020 1 42 99 7 TYR HA H 4.350 0.020 1 43 99 7 TYR HB2 H 2.104 0.020 2 44 99 7 TYR HB3 H 2.104 0.020 2 45 99 7 TYR HD1 H 6.485 0.020 1 46 99 7 TYR HD2 H 6.485 0.020 1 47 99 7 TYR HE1 H 6.445 0.020 1 48 99 7 TYR HE2 H 6.445 0.020 1 49 99 7 TYR C C 174.022 0.400 1 50 99 7 TYR CA C 56.835 0.400 1 51 99 7 TYR CB C 42.581 0.400 1 52 99 7 TYR CD1 C 133.400 0.400 1 53 99 7 TYR CE1 C 117.091 0.400 1 54 99 7 TYR N N 124.760 0.400 1 55 100 8 TYR H H 8.401 0.020 1 56 100 8 TYR HA H 5.441 0.020 1 57 100 8 TYR HB2 H 2.920 0.020 2 58 100 8 TYR HB3 H 2.821 0.020 2 59 100 8 TYR HD1 H 6.984 0.020 1 60 100 8 TYR HD2 H 6.984 0.020 1 61 100 8 TYR HE1 H 6.663 0.020 1 62 100 8 TYR HE2 H 6.663 0.020 1 63 100 8 TYR C C 174.891 0.400 1 64 100 8 TYR CA C 57.289 0.400 1 65 100 8 TYR CB C 41.584 0.400 1 66 100 8 TYR CD1 C 133.033 0.400 1 67 100 8 TYR CE1 C 118.034 0.400 1 68 100 8 TYR N N 118.700 0.400 1 69 101 9 LEU H H 9.204 0.020 1 70 101 9 LEU HA H 4.992 0.020 1 71 101 9 LEU HB2 H 1.854 0.020 2 72 101 9 LEU HB3 H 1.620 0.020 2 73 101 9 LEU HG H 1.775 0.020 1 74 101 9 LEU HD1 H 0.819 0.020 2 75 101 9 LEU HD2 H 0.776 0.020 2 76 101 9 LEU C C 174.466 0.400 1 77 101 9 LEU CA C 54.498 0.400 1 78 101 9 LEU CB C 46.266 0.400 1 79 101 9 LEU CG C 26.939 0.400 1 80 101 9 LEU CD1 C 26.375 0.400 1 81 101 9 LEU CD2 C 27.073 0.400 1 82 101 9 LEU N N 121.632 0.400 1 83 102 10 GLN H H 9.013 0.020 1 84 102 10 GLN HA H 5.080 0.020 1 85 102 10 GLN HB2 H 1.817 0.020 2 86 102 10 GLN HB3 H 1.936 0.020 2 87 102 10 GLN HG2 H 1.993 0.020 2 88 102 10 GLN HG3 H 1.993 0.020 2 89 102 10 GLN HE21 H 6.763 0.020 2 90 102 10 GLN HE22 H 7.171 0.020 2 91 102 10 GLN C C 174.509 0.400 1 92 102 10 GLN CA C 54.374 0.400 1 93 102 10 GLN CB C 31.382 0.400 1 94 102 10 GLN CG C 34.225 0.400 1 95 102 10 GLN N N 123.532 0.400 1 96 102 10 GLN NE2 N 111.543 0.400 1 97 103 11 VAL H H 9.159 0.020 1 98 103 11 VAL HA H 4.599 0.020 1 99 103 11 VAL HB H 1.858 0.020 1 100 103 11 VAL HG1 H 0.974 0.020 2 101 103 11 VAL HG2 H 0.942 0.020 2 102 103 11 VAL C C 172.608 0.400 1 103 103 11 VAL CA C 60.198 0.400 1 104 103 11 VAL CB C 35.603 0.400 1 105 103 11 VAL CG1 C 22.465 0.400 1 106 103 11 VAL CG2 C 20.695 0.400 1 107 103 11 VAL N N 124.091 0.400 1 108 104 12 ARG H H 9.324 0.020 1 109 104 12 ARG HA H 4.890 0.020 1 110 104 12 ARG HB2 H 1.824 0.020 2 111 104 12 ARG HB3 H 1.699 0.020 2 112 104 12 ARG HG2 H 1.595 0.020 2 113 104 12 ARG HG3 H 1.595 0.020 2 114 104 12 ARG HD2 H 3.221 0.020 2 115 104 12 ARG HD3 H 3.221 0.020 2 116 104 12 ARG HE H 8.184 0.020 1 117 104 12 ARG C C 176.488 0.400 1 118 104 12 ARG CA C 55.820 0.400 1 119 104 12 ARG CB C 31.257 0.400 1 120 104 12 ARG CG C 27.514 0.400 1 121 104 12 ARG CD C 43.493 0.400 1 122 104 12 ARG N N 129.114 0.400 1 123 104 12 ARG NE N 86.31 0.400 1 124 105 13 GLY H H 8.813 0.020 1 125 105 13 GLY HA2 H 4.696 0.020 2 126 105 13 GLY HA3 H 3.911 0.020 2 127 105 13 GLY C C 176.498 0.400 1 128 105 13 GLY CA C 44.970 0.400 1 129 105 13 GLY N N 114.585 0.400 1 130 106 14 ARG H H 8.866 0.020 1 131 106 14 ARG HA H 3.525 0.020 1 132 106 14 ARG HB2 H 2.044 0.020 2 133 106 14 ARG HB3 H 1.862 0.020 2 134 106 14 ARG HG2 H 1.693 0.020 2 135 106 14 ARG HG3 H 1.693 0.020 2 136 106 14 ARG HD2 H 3.112 0.020 2 137 106 14 ARG HD3 H 3.112 0.020 2 138 106 14 ARG C C 177.603 0.400 1 139 106 14 ARG CA C 59.637 0.400 1 140 106 14 ARG CB C 29.841 0.400 1 141 106 14 ARG CG C 26.877 0.400 1 142 106 14 ARG CD C 42.924 0.400 1 143 106 14 ARG N N 127.937 0.400 1 144 107 15 LYS H H 8.556 0.020 1 145 107 15 LYS HA H 4.024 0.020 1 146 107 15 LYS HB2 H 1.864 0.020 2 147 107 15 LYS HB3 H 1.765 0.020 2 148 107 15 LYS HG2 H 1.478 0.020 2 149 107 15 LYS HG3 H 1.355 0.020 2 150 107 15 LYS HD2 H 1.688 0.020 2 151 107 15 LYS HD3 H 1.688 0.020 2 152 107 15 LYS HE2 H 2.947 0.020 2 153 107 15 LYS HE3 H 2.947 0.020 2 154 107 15 LYS C C 178.726 0.400 1 155 107 15 LYS CA C 59.527 0.400 1 156 107 15 LYS CB C 31.368 0.400 1 157 107 15 LYS CG C 24.515 0.400 1 158 107 15 LYS CD C 29.078 0.400 1 159 107 15 LYS CE C 42.151 0.400 1 160 107 15 LYS N N 119.095 0.400 1 161 108 16 ASN H H 7.617 0.020 1 162 108 16 ASN HA H 4.402 0.020 1 163 108 16 ASN HB2 H 2.957 0.020 2 164 108 16 ASN HB3 H 2.268 0.020 2 165 108 16 ASN HD21 H 6.624 0.020 2 166 108 16 ASN C C 176.932 0.400 1 167 108 16 ASN CA C 55.393 0.400 1 168 108 16 ASN CB C 37.528 0.400 1 169 108 16 ASN N N 116.769 0.400 1 170 108 16 ASN ND2 N 114.634 0.400 1 171 109 17 PHE H H 8.051 0.020 1 172 109 17 PHE HA H 3.901 0.020 1 173 109 17 PHE HB2 H 2.594 0.020 2 174 109 17 PHE HB3 H 2.724 0.020 2 175 109 17 PHE HD1 H 6.635 0.020 1 176 109 17 PHE HD2 H 6.635 0.020 1 177 109 17 PHE HE1 H 7.213 0.020 1 178 109 17 PHE HE2 H 7.213 0.020 1 179 109 17 PHE C C 175.757 0.400 1 180 109 17 PHE CA C 61.430 0.400 1 181 109 17 PHE CB C 39.099 0.400 1 182 109 17 PHE CD1 C 131.521 0.400 1 183 109 17 PHE CE1 C 131.117 0.400 1 184 109 17 PHE N N 120.646 0.400 1 185 110 18 GLU H H 8.364 0.020 1 186 110 18 GLU HA H 3.505 0.020 1 187 110 18 GLU HB2 H 2.096 0.020 2 188 110 18 GLU HB3 H 1.930 0.020 2 189 110 18 GLU HG2 H 2.176 0.020 2 190 110 18 GLU HG3 H 2.534 0.020 2 191 110 18 GLU C C 180.017 0.400 1 192 110 18 GLU CA C 59.873 0.400 1 193 110 18 GLU CB C 29.177 0.400 1 194 110 18 GLU CG C 37.152 0.400 1 195 110 18 GLU N N 117.509 0.400 1 196 111 19 ILE H H 7.670 0.020 1 197 111 19 ILE HA H 3.644 0.020 1 198 111 19 ILE HB H 1.833 0.020 1 199 111 19 ILE HG12 H 1.833 0.020 2 200 111 19 ILE HG13 H 0.984 0.020 2 201 111 19 ILE HG2 H 0.806 0.020 1 202 111 19 ILE HD1 H 0.840 0.020 1 203 111 19 ILE C C 177.344 0.400 1 204 111 19 ILE CA C 65.580 0.400 1 205 111 19 ILE CB C 38.429 0.400 1 206 111 19 ILE CG1 C 29.459 0.400 1 207 111 19 ILE CG2 C 17.073 0.400 1 208 111 19 ILE CD1 C 13.733 0.400 1 209 111 19 ILE N N 119.260 0.400 1 210 112 20 LEU H H 7.937 0.020 1 211 112 20 LEU HA H 3.804 0.020 1 212 112 20 LEU HB2 H 1.150 0.020 2 213 112 20 LEU HB3 H 1.150 0.020 2 214 112 20 LEU HG H 1.828 0.020 1 215 112 20 LEU HD1 H 0.731 0.020 2 216 112 20 LEU C C 178.883 0.400 1 217 112 20 LEU CA C 58.221 0.400 1 218 112 20 LEU CB C 41.337 0.400 1 219 112 20 LEU CG C 26.751 0.400 1 220 112 20 LEU CD1 C 23.470 0.400 1 221 112 20 LEU N N 117.913 0.400 1 222 113 21 MET H H 8.659 0.020 1 223 113 21 MET HA H 4.032 0.020 1 224 113 21 MET HB2 H 1.904 0.020 2 225 113 21 MET HB3 H 1.843 0.020 2 226 113 21 MET HG2 H 1.821 0.020 2 227 113 21 MET HG3 H 1.716 0.020 2 228 113 21 MET HE H 1.883 0.020 1 229 113 21 MET C C 178.742 0.400 1 230 113 21 MET CA C 57.871 0.400 1 231 113 21 MET CB C 31.907 0.400 1 232 113 21 MET CG C 31.572 0.400 1 233 113 21 MET CE C 16.833 0.400 1 234 113 21 MET N N 118.279 0.400 1 235 114 22 LYS H H 7.381 0.020 1 236 114 22 LYS HA H 4.023 0.020 1 237 114 22 LYS HB2 H 1.911 0.020 2 238 114 22 LYS HB3 H 1.817 0.020 2 239 114 22 LYS HG2 H 1.377 0.020 2 240 114 22 LYS HG3 H 1.547 0.020 2 241 114 22 LYS HD2 H 1.633 0.020 2 242 114 22 LYS HD3 H 1.633 0.020 2 243 114 22 LYS HE2 H 2.890 0.020 2 244 114 22 LYS HE3 H 2.890 0.020 2 245 114 22 LYS C C 179.072 0.400 1 246 114 22 LYS CA C 59.346 0.400 1 247 114 22 LYS CB C 32.224 0.400 1 248 114 22 LYS CG C 25.296 0.400 1 249 114 22 LYS CD C 29.305 0.400 1 250 114 22 LYS CE C 42.200 0.400 1 251 114 22 LYS N N 120.560 0.400 1 252 115 23 LEU H H 7.688 0.020 1 253 115 23 LEU HA H 4.345 0.020 1 254 115 23 LEU HB2 H 1.644 0.020 2 255 115 23 LEU HB3 H 1.234 0.020 2 256 115 23 LEU HG H 0.721 0.020 1 257 115 23 LEU HD1 H 0.695 0.020 2 258 115 23 LEU C C 177.923 0.400 1 259 115 23 LEU CA C 56.462 0.400 1 260 115 23 LEU CB C 41.718 0.400 1 261 115 23 LEU CG C 26.351 0.400 1 262 115 23 LEU CD1 C 24.109 0.400 1 263 115 23 LEU N N 118.891 0.400 1 264 116 24 LYS H H 8.884 0.020 1 265 116 24 LYS HA H 3.730 0.020 1 266 116 24 LYS HB2 H 2.102 0.020 2 267 116 24 LYS HB3 H 1.897 0.020 2 268 116 24 LYS HG2 H 1.413 0.020 2 269 116 24 LYS HG3 H 1.581 0.020 2 270 116 24 LYS HD2 H 1.682 0.020 2 271 116 24 LYS HD3 H 1.925 0.020 2 272 116 24 LYS C C 177.059 0.400 1 273 116 24 LYS CA C 60.465 0.400 1 274 116 24 LYS CB C 33.137 0.400 1 275 116 24 LYS CG C 24.741 0.400 1 276 116 24 LYS CD C 30.050 0.400 1 277 116 24 LYS CE C 43.381 0.400 1 278 116 24 LYS N N 121.250 0.400 1 279 117 25 GLU H H 7.660 0.020 1 280 117 25 GLU HA H 4.276 0.020 1 281 117 25 GLU HB2 H 2.250 0.020 2 282 117 25 GLU HB3 H 2.250 0.020 2 283 117 25 GLU HG2 H 2.037 0.020 2 284 117 25 GLU HG3 H 2.353 0.020 2 285 117 25 GLU C C 177.169 0.400 1 286 117 25 GLU CA C 58.898 0.400 1 287 117 25 GLU CB C 30.277 0.400 1 288 117 25 GLU CG C 37.309 0.400 1 289 117 25 GLU N N 116.755 0.400 1 290 118 26 SER H H 7.659 0.020 1 291 118 26 SER HA H 4.169 0.020 1 292 118 26 SER HB2 H 3.738 0.020 2 293 118 26 SER HB3 H 3.818 0.020 2 294 118 26 SER C C 177.177 0.400 1 295 118 26 SER CA C 62.553 0.400 1 296 118 26 SER CB C 62.632 0.400 1 297 118 26 SER N N 114.369 0.400 1 298 119 27 LEU H H 8.486 0.020 1 299 119 27 LEU HA H 4.039 0.020 1 300 119 27 LEU HB2 H 1.787 0.020 2 301 119 27 LEU HB3 H 1.417 0.020 2 302 119 27 LEU HG H 0.689 0.020 1 303 119 27 LEU HD1 H 0.852 0.020 2 304 119 27 LEU C C 180.394 0.400 1 305 119 27 LEU CA C 58.379 0.400 1 306 119 27 LEU CB C 40.787 0.400 1 307 119 27 LEU CG C 25.848 0.400 1 308 119 27 LEU CD1 C 21.773 0.400 1 309 119 27 LEU N N 123.247 0.400 1 310 120 28 GLU H H 8.410 0.020 1 311 120 28 GLU HA H 4.069 0.020 1 312 120 28 GLU HB2 H 2.296 0.020 2 313 120 28 GLU HB3 H 2.026 0.020 2 314 120 28 GLU HG2 H 2.886 0.020 2 315 120 28 GLU HG3 H 2.341 0.020 2 316 120 28 GLU C C 180.268 0.400 1 317 120 28 GLU CA C 59.795 0.400 1 318 120 28 GLU CB C 29.567 0.400 1 319 120 28 GLU CG C 38.477 0.400 1 320 120 28 GLU N N 117.672 0.400 1 321 121 29 LEU H H 8.323 0.020 1 322 121 29 LEU HA H 3.865 0.020 1 323 121 29 LEU HB2 H 1.085 0.020 2 324 121 29 LEU HB3 H 1.741 0.020 2 325 121 29 LEU HG H 1.749 0.020 1 326 121 29 LEU HD1 H 0.447 0.020 2 327 121 29 LEU HD2 H 0.496 0.020 2 328 121 29 LEU C C 179.058 0.400 1 329 121 29 LEU CA C 57.093 0.400 1 330 121 29 LEU CB C 41.526 0.400 1 331 121 29 LEU CG C 27.031 0.400 1 332 121 29 LEU CD1 C 23.424 0.400 1 333 121 29 LEU CD2 C 27.068 0.400 1 334 121 29 LEU N N 119.445 0.400 1 335 122 30 MET H H 7.662 0.020 1 336 122 30 MET HA H 4.002 0.020 1 337 122 30 MET HB2 H 2.705 0.020 2 338 122 30 MET HB3 H 2.515 0.020 2 339 122 30 MET HG2 H 2.194 0.020 2 340 122 30 MET HG3 H 2.114 0.020 2 341 122 30 MET HE H 2.024 0.020 1 342 122 30 MET C C 178.224 0.400 1 343 122 30 MET CA C 58.894 0.400 1 344 122 30 MET CB C 31.981 0.400 1 345 122 30 MET CG C 32.264 0.400 1 346 122 30 MET CE C 17.346 0.400 1 347 122 30 MET N N 118.025 0.400 1 348 123 31 GLU H H 7.235 0.020 1 349 123 31 GLU HA H 4.157 0.020 1 350 123 31 GLU HB2 H 2.130 0.020 2 351 123 31 GLU HB3 H 2.130 0.020 2 352 123 31 GLU HG2 H 2.390 0.020 2 353 123 31 GLU HG3 H 2.390 0.020 2 354 123 31 GLU C C 176.954 0.400 1 355 123 31 GLU CA C 57.957 0.400 1 356 123 31 GLU CB C 29.809 0.400 1 357 123 31 GLU CG C 36.187 0.400 1 358 123 31 GLU N N 115.784 0.400 1 359 124 32 LEU H H 7.964 0.020 1 360 124 32 LEU HA H 4.308 0.020 1 361 124 32 LEU HB2 H 1.905 0.020 2 362 124 32 LEU HB3 H 1.905 0.020 2 363 124 32 LEU HG H 1.667 0.020 1 364 124 32 LEU HD1 H 0.895 0.020 2 365 124 32 LEU HD2 H 0.895 0.020 2 366 124 32 LEU C C 177.537 0.400 1 367 124 32 LEU CA C 54.748 0.400 1 368 124 32 LEU CB C 42.099 0.400 1 369 124 32 LEU CG C 27.458 0.400 1 370 124 32 LEU CD1 C 25.800 0.400 1 371 124 32 LEU CD2 C 22.551 0.400 1 372 124 32 LEU N N 117.445 0.400 1 373 125 33 VAL H H 7.375 0.020 1 374 125 33 VAL HA H 3.932 0.020 1 375 125 33 VAL HB H 2.038 0.020 1 376 125 33 VAL HG1 H 0.958 0.020 2 377 125 33 VAL HG2 H 0.958 0.020 2 378 125 33 VAL C C 174.154 0.400 1 379 125 33 VAL CA C 61.225 0.400 1 380 125 33 VAL CB C 32.131 0.400 1 381 125 33 VAL N N 122.935 0.400 1 382 126 34 PRO HA H 4.393 0.020 1 383 126 34 PRO HB2 H 1.917 0.020 2 384 126 34 PRO HB3 H 2.490 0.020 2 385 126 34 PRO HG2 H 2.195 0.020 2 386 126 34 PRO HG3 H 2.105 0.020 2 387 126 34 PRO HD2 H 4.219 0.020 2 388 126 34 PRO HD3 H 3.564 0.020 2 389 126 34 PRO C C 177.633 0.400 1 390 126 34 PRO CA C 63.358 0.400 1 391 126 34 PRO CB C 33.330 0.400 1 392 126 34 PRO CG C 27.975 0.400 1 393 126 34 PRO CD C 51.276 0.400 1 394 127 35 GLN H H 8.993 0.020 1 395 127 35 GLN HA H 3.959 0.020 1 396 127 35 GLN HB2 H 2.279 0.020 2 397 127 35 GLN HB3 H 2.141 0.020 2 398 127 35 GLN C C 174.012 0.400 1 399 127 35 GLN CA C 60.076 0.400 1 400 127 35 GLN CB C 26.139 0.400 1 401 127 35 GLN N N 125.241 0.400 1 402 128 36 PRO HA H 4.427 0.020 1 403 128 36 PRO HB2 H 2.415 0.020 2 404 128 36 PRO HB3 H 1.764 0.020 2 405 128 36 PRO HG2 H 2.016 0.020 2 406 128 36 PRO HG3 H 2.016 0.020 2 407 128 36 PRO HD2 H 3.821 0.020 2 408 128 36 PRO HD3 H 3.515 0.020 2 409 128 36 PRO C C 179.719 0.400 1 410 128 36 PRO CA C 66.248 0.400 1 411 128 36 PRO CB C 31.154 0.400 1 412 128 36 PRO CG C 28.668 0.400 1 413 128 36 PRO CD C 50.402 0.400 1 414 129 37 LEU H H 7.220 0.020 1 415 129 37 LEU HA H 4.162 0.020 1 416 129 37 LEU HB2 H 1.204 0.020 2 417 129 37 LEU HB3 H 1.732 0.020 2 418 129 37 LEU HG H 1.571 0.020 1 419 129 37 LEU HD1 H 0.871 0.020 2 420 129 37 LEU HD2 H 0.761 0.020 2 421 129 37 LEU C C 178.871 0.400 1 422 129 37 LEU CA C 57.174 0.400 1 423 129 37 LEU CB C 41.264 0.400 1 424 129 37 LEU CG C 27.511 0.400 1 425 129 37 LEU CD1 C 24.993 0.400 1 426 129 37 LEU CD2 C 23.290 0.400 1 427 129 37 LEU N N 116.655 0.400 1 428 130 38 VAL H H 7.465 0.020 1 429 130 38 VAL HA H 3.471 0.020 1 430 130 38 VAL HB H 2.220 0.020 1 431 130 38 VAL HG1 H 0.936 0.020 2 432 130 38 VAL HG2 H 0.936 0.020 2 433 130 38 VAL C C 178.353 0.400 1 434 130 38 VAL CA C 67.124 0.400 1 435 130 38 VAL CB C 31.438 0.400 1 436 130 38 VAL CG1 C 22.511 0.400 1 437 130 38 VAL CG2 C 21.028 0.400 1 438 130 38 VAL N N 121.976 0.400 1 439 131 39 ASP H H 8.605 0.020 1 440 131 39 ASP HA H 4.365 0.020 1 441 131 39 ASP HB2 H 2.672 0.020 2 442 131 39 ASP HB3 H 2.672 0.020 2 443 131 39 ASP C C 179.398 0.400 1 444 131 39 ASP CA C 57.796 0.400 1 445 131 39 ASP CB C 40.198 0.400 1 446 131 39 ASP N N 118.845 0.400 1 447 132 40 SER H H 7.817 0.020 1 448 132 40 SER HA H 4.239 0.020 1 449 132 40 SER HB2 H 3.980 0.020 2 450 132 40 SER HB3 H 4.028 0.020 2 451 132 40 SER C C 179.406 0.400 1 452 132 40 SER CA C 61.726 0.400 1 453 132 40 SER CB C 62.897 0.400 1 454 132 40 SER N N 115.275 0.400 1 455 133 41 TYR H H 8.247 0.020 1 456 133 41 TYR HA H 4.175 0.020 1 457 133 41 TYR HB2 H 3.291 0.020 2 458 133 41 TYR HB3 H 3.059 0.020 2 459 133 41 TYR HD1 H 7.085 0.020 1 460 133 41 TYR HD2 H 7.085 0.020 1 461 133 41 TYR HE1 H 6.801 0.020 1 462 133 41 TYR HE2 H 6.801 0.020 1 463 133 41 TYR C C 178.220 0.400 1 464 133 41 TYR CA C 61.719 0.400 1 465 133 41 TYR CB C 38.434 0.400 1 466 133 41 TYR CD1 C 133.170 0.400 1 467 133 41 TYR CE1 C 117.977 0.400 1 468 133 41 TYR N N 124.425 0.400 1 469 134 42 ARG H H 8.731 0.020 1 470 134 42 ARG HA H 3.734 0.020 1 471 134 42 ARG HB2 H 1.791 0.020 2 472 134 42 ARG HB3 H 2.157 0.020 2 473 134 42 ARG HD2 H 3.185 0.020 2 474 134 42 ARG HD3 H 3.185 0.020 2 475 134 42 ARG HE H 7.364 0.020 1 476 134 42 ARG C C 179.611 0.400 1 477 134 42 ARG CA C 60.458 0.400 1 478 134 42 ARG CB C 29.662 0.400 1 479 134 42 ARG CD C 43.719 0.400 1 480 134 42 ARG N N 119.750 0.400 1 481 134 42 ARG NE N 85.15 0.400 1 482 135 43 GLN H H 8.063 0.020 1 483 135 43 GLN HA H 4.078 0.020 1 484 135 43 GLN HB2 H 2.085 0.020 2 485 135 43 GLN HB3 H 1.918 0.020 2 486 135 43 GLN HG2 H 2.531 0.020 2 487 135 43 GLN HG3 H 2.410 0.020 2 488 135 43 GLN HE21 H 7.285 0.020 2 489 135 43 GLN HE22 H 6.765 0.020 2 490 135 43 GLN C C 178.594 0.400 1 491 135 43 GLN CA C 58.813 0.400 1 492 135 43 GLN CB C 28.394 0.400 1 493 135 43 GLN CG C 34.014 0.400 1 494 135 43 GLN N N 119.346 0.400 1 495 135 43 GLN NE2 N 112.038 0.400 1 496 136 44 GLN H H 7.900 0.020 1 497 136 44 GLN HA H 4.048 0.020 1 498 136 44 GLN HB2 H 2.142 0.020 2 499 136 44 GLN HB3 H 2.142 0.020 2 500 136 44 GLN HG2 H 2.512 0.020 2 501 136 44 GLN HG3 H 2.512 0.020 2 502 136 44 GLN C C 178.597 0.400 1 503 136 44 GLN CA C 58.210 0.400 1 504 136 44 GLN CB C 28.396 0.400 1 505 136 44 GLN CG C 34.152 0.400 1 506 136 44 GLN N N 118.513 0.400 1 507 137 45 GLN H H 7.935 0.020 1 508 137 45 GLN HA H 3.869 0.020 1 509 137 45 GLN HB2 H 2.002 0.020 2 510 137 45 GLN HB3 H 2.002 0.020 2 511 137 45 GLN HG2 H 2.000 0.020 2 512 137 45 GLN HG3 H 2.000 0.020 2 513 137 45 GLN C C 178.363 0.400 1 514 137 45 GLN CA C 57.369 0.400 1 515 137 45 GLN CB C 28.361 0.400 1 516 137 45 GLN CG C 33.617 0.400 1 517 137 45 GLN N N 117.373 0.400 1 518 138 46 GLN H H 7.709 0.020 1 519 138 46 GLN HA H 4.142 0.020 1 520 138 46 GLN HB2 H 2.161 0.020 2 521 138 46 GLN HB3 H 2.161 0.020 2 522 138 46 GLN HG2 H 2.478 0.020 2 523 138 46 GLN HG3 H 2.478 0.020 2 524 138 46 GLN C C 177.503 0.400 1 525 138 46 GLN CA C 57.852 0.400 1 526 138 46 GLN CB C 28.516 0.400 1 527 138 46 GLN CG C 34.000 0.400 1 528 138 46 GLN N N 118.243 0.400 1 529 139 47 LEU H H 7.484 0.020 1 530 139 47 LEU HA H 4.268 0.020 1 531 139 47 LEU HB2 H 1.780 0.020 2 532 139 47 LEU HB3 H 1.647 0.020 2 533 139 47 LEU HG H 1.750 0.020 1 534 139 47 LEU HD1 H 0.924 0.020 2 535 139 47 LEU HD2 H 0.924 0.020 2 536 139 47 LEU C C 177.835 0.400 1 537 139 47 LEU CA C 56.031 0.400 1 538 139 47 LEU CB C 42.078 0.400 1 539 139 47 LEU CG C 26.962 0.400 1 540 139 47 LEU CD1 C 25.189 0.400 1 541 139 47 LEU CD2 C 23.004 0.400 1 542 139 47 LEU N N 118.586 0.400 1 543 140 48 LEU H H 7.532 0.020 1 544 140 48 LEU HA H 4.341 0.020 1 545 140 48 LEU HB2 H 1.755 0.020 2 546 140 48 LEU HB3 H 1.599 0.020 2 547 140 48 LEU HG H 1.731 0.020 1 548 140 48 LEU HD1 H 0.840 0.020 2 549 140 48 LEU HD2 H 0.840 0.020 2 550 140 48 LEU C C 177.207 0.400 1 551 140 48 LEU CA C 55.149 0.400 1 552 140 48 LEU CB C 42.380 0.400 1 553 140 48 LEU CG C 26.624 0.400 1 554 140 48 LEU CD1 C 25.299 0.400 1 555 140 48 LEU CD2 C 22.837 0.400 1 556 140 48 LEU N N 118.753 0.400 1 557 141 49 GLN H H 7.675 0.020 1 558 141 49 GLN HA H 4.359 0.020 1 559 141 49 GLN HB2 H 2.213 0.020 2 560 141 49 GLN HB3 H 2.051 0.020 2 561 141 49 GLN HG2 H 2.457 0.020 2 562 141 49 GLN HG3 H 2.457 0.020 2 563 141 49 GLN C C 174.910 0.400 1 564 141 49 GLN CA C 56.161 0.400 1 565 141 49 GLN CB C 29.534 0.400 1 566 141 49 GLN CG C 34.003 0.400 1 567 141 49 GLN N N 119.878 0.400 1 568 142 50 ARG H H 7.955 0.020 1 569 142 50 ARG HA H 4.140 0.020 1 570 142 50 ARG HB2 H 1.590 0.020 2 571 142 50 ARG HB3 H 1.756 0.020 2 572 142 50 ARG HD2 H 2.888 0.020 2 573 142 50 ARG HD3 H 2.861 0.020 2 574 142 50 ARG C C 180.825 0.400 1 575 142 50 ARG CA C 57.568 0.400 1 576 142 50 ARG CB C 31.701 0.400 1 577 142 50 ARG CD C 43.483 0.400 1 578 142 50 ARG N N 127.959 0.400 1 stop_ save_ save_assigned_chem_shift_list_1_3 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCACB' '3D HN(CA)CO' '3D H(CCO)NH' '3D C(CO)NH' '2D 1H-13C HSQC aromatic' '2D (H)CB(CG)CCH-TOCSY' '2D (HB)CB(CDCD)HD' '2D 1H-13C HSQC' stop_ loop_ _Sample_label $p63_13C15N_p73 $p63_p73_13C15N stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity_1_2 _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 1001 1 SER HA H 4.455 0.020 1 2 1001 1 SER HB2 H 3.908 0.020 2 3 1001 1 SER HB3 H 3.908 0.020 2 4 1001 1 SER C C 174.696 0.400 1 5 1001 1 SER CA C 59.385 0.400 1 6 1001 1 SER CB C 63.702 0.400 1 7 1002 2 ASP H H 8.555 0.020 1 8 1002 2 ASP HA H 4.683 0.020 1 9 1002 2 ASP HB2 H 2.759 0.020 2 10 1002 2 ASP HB3 H 2.644 0.020 2 11 1002 2 ASP C C 175.828 0.400 1 12 1002 2 ASP CA C 54.685 0.400 1 13 1002 2 ASP CB C 40.974 0.400 1 14 1002 2 ASP N N 121.276 0.400 1 15 1003 3 ASP H H 8.004 0.020 1 16 1003 3 ASP HA H 4.580 0.020 1 17 1003 3 ASP HB2 H 2.630 0.020 2 18 1003 3 ASP HB3 H 2.630 0.020 2 19 1003 3 ASP C C 175.884 0.400 1 20 1003 3 ASP CA C 54.119 0.400 1 21 1003 3 ASP CB C 41.305 0.400 1 22 1003 3 ASP N N 119.296 0.400 1 23 1004 4 GLU H H 7.945 0.020 1 24 1004 4 GLU HA H 4.135 0.020 1 25 1004 4 GLU HB2 H 1.959 0.020 2 26 1004 4 GLU HB3 H 1.959 0.020 2 27 1004 4 GLU HG2 H 2.181 0.020 2 28 1004 4 GLU HG3 H 2.261 0.020 2 29 1004 4 GLU C C 174.979 0.400 1 30 1004 4 GLU CA C 56.871 0.400 1 31 1004 4 GLU CB C 30.780 0.400 1 32 1004 4 GLU CG C 36.283 0.400 1 33 1004 4 GLU N N 120.922 0.400 1 34 1005 5 LEU H H 8.042 0.020 1 35 1005 5 LEU HA H 4.539 0.020 1 36 1005 5 LEU HB2 H 1.487 0.020 2 37 1005 5 LEU HB3 H 1.351 0.020 2 38 1005 5 LEU HG H 1.290 0.020 1 39 1005 5 LEU HD1 H 0.788 0.020 2 40 1005 5 LEU HD2 H 0.689 0.020 2 41 1005 5 LEU C C 175.305 0.400 1 42 1005 5 LEU CA C 54.871 0.400 1 43 1005 5 LEU CB C 42.841 0.400 1 44 1005 5 LEU CG C 27.198 0.400 1 45 1005 5 LEU CD1 C 25.427 0.400 1 46 1005 5 LEU CD2 C 24.146 0.400 1 47 1005 5 LEU N N 124.551 0.400 1 48 1006 6 LEU H H 8.799 0.020 1 49 1006 6 LEU HA H 4.512 0.020 1 50 1006 6 LEU HB2 H 0.968 0.020 2 51 1006 6 LEU HB3 H 1.274 0.020 2 52 1006 6 LEU HD1 H 0.330 0.020 2 53 1006 6 LEU HD2 H 0.514 0.020 2 54 1006 6 LEU C C 174.919 0.400 1 55 1006 6 LEU CA C 53.517 0.400 1 56 1006 6 LEU CB C 45.589 0.400 1 57 1006 6 LEU CG C 26.950 0.400 1 58 1006 6 LEU CD1 C 24.896 0.400 1 59 1006 6 LEU CD2 C 23.410 0.400 1 60 1006 6 LEU N N 127.945 0.400 1 61 1007 7 TYR H H 8.583 0.020 1 62 1007 7 TYR HA H 5.157 0.020 1 63 1007 7 TYR HB2 H 2.840 0.020 2 64 1007 7 TYR HB3 H 2.617 0.020 2 65 1007 7 TYR HD1 H 6.845 0.020 1 66 1007 7 TYR HD2 H 6.845 0.020 1 67 1007 7 TYR HE1 H 6.743 0.020 1 68 1007 7 TYR HE2 H 6.743 0.020 1 69 1007 7 TYR C C 175.335 0.400 1 70 1007 7 TYR CA C 57.432 0.400 1 71 1007 7 TYR CB C 40.944 0.400 1 72 1007 7 TYR CD1 C 132.591 0.400 1 73 1007 7 TYR CE1 C 118.012 0.400 1 74 1007 7 TYR N N 117.176 0.400 1 75 1008 8 LEU H H 9.308 0.020 1 76 1008 8 LEU HA H 5.152 0.020 1 77 1008 8 LEU HB2 H 2.014 0.020 2 78 1008 8 LEU HB3 H 1.395 0.020 2 79 1008 8 LEU HD1 H 0.589 0.020 2 80 1008 8 LEU HD2 H 0.662 0.020 2 81 1008 8 LEU C C 173.946 0.400 1 82 1008 8 LEU CA C 51.618 0.400 1 83 1008 8 LEU CB C 45.412 0.400 1 84 1008 8 LEU CD1 C 27.204 0.400 1 85 1008 8 LEU CD2 C 25.251 0.400 1 86 1008 8 LEU N N 128.094 0.400 1 87 1009 9 PRO HA H 4.527 0.020 1 88 1009 9 PRO HB2 H 1.757 0.020 2 89 1009 9 PRO HB3 H 1.919 0.020 2 90 1009 9 PRO HG2 H 2.163 0.020 2 91 1009 9 PRO HG3 H 2.158 0.020 2 92 1009 9 PRO HD2 H 3.864 0.020 2 93 1009 9 PRO HD3 H 4.392 0.020 2 94 1009 9 PRO C C 176.758 0.400 1 95 1009 9 PRO CA C 62.090 0.400 1 96 1009 9 PRO CB C 31.873 0.400 1 97 1009 9 PRO CG C 27.887 0.400 1 98 1009 9 PRO CD C 51.406 0.400 1 99 1010 10 VAL H H 9.193 0.020 1 100 1010 10 VAL HA H 4.209 0.020 1 101 1010 10 VAL HB H 1.959 0.020 1 102 1010 10 VAL HG1 H 0.914 0.020 2 103 1010 10 VAL HG2 H 0.914 0.020 2 104 1010 10 VAL C C 173.446 0.400 1 105 1010 10 VAL CA C 61.618 0.400 1 106 1010 10 VAL CB C 35.669 0.400 1 107 1010 10 VAL CG1 C 22.539 0.400 1 108 1010 10 VAL N N 124.047 0.400 1 109 1011 11 ARG H H 9.053 0.020 1 110 1011 11 ARG HA H 4.699 0.020 1 111 1011 11 ARG HB2 H 1.813 0.020 2 112 1011 11 ARG HB3 H 1.632 0.020 2 113 1011 11 ARG HG2 H 1.523 0.020 2 114 1011 11 ARG HG3 H 1.523 0.020 2 115 1011 11 ARG HD2 H 3.164 0.020 2 116 1011 11 ARG HD3 H 3.164 0.020 2 117 1011 11 ARG HE H 7.298 0.020 1 118 1011 11 ARG C C 176.092 0.400 1 119 1011 11 ARG CA C 55.367 0.400 1 120 1011 11 ARG CB C 30.605 0.400 1 121 1011 11 ARG CG C 27.566 0.400 1 122 1011 11 ARG CD C 43.376 0.400 1 123 1011 11 ARG N N 127.433 0.400 1 124 1011 11 ARG NE N 134.864 0.400 1 125 1012 12 GLY H H 8.614 0.020 1 126 1012 12 GLY HA2 H 4.507 0.020 2 127 1012 12 GLY HA3 H 3.770 0.020 2 128 1012 12 GLY C C 173.823 0.400 1 129 1012 12 GLY CA C 44.951 0.400 1 130 1012 12 GLY N N 115.279 0.400 1 131 1013 13 ARG H H 8.774 0.020 1 132 1013 13 ARG HA H 3.852 0.020 1 133 1013 13 ARG HB2 H 1.895 0.020 2 134 1013 13 ARG HB3 H 1.895 0.020 2 135 1013 13 ARG HG2 H 1.690 0.020 2 136 1013 13 ARG HG3 H 1.690 0.020 2 137 1013 13 ARG HD2 H 3.196 0.020 2 138 1013 13 ARG HD3 H 3.196 0.020 2 139 1013 13 ARG HE H 7.620 0.020 1 140 1013 13 ARG C C 177.793 0.400 1 141 1013 13 ARG CA C 59.204 0.400 1 142 1013 13 ARG CB C 29.767 0.400 1 143 1013 13 ARG CG C 27.031 0.400 1 144 1013 13 ARG CD C 42.716 0.400 1 145 1013 13 ARG N N 125.500 0.400 1 146 1013 13 ARG NE N 134.051 0.400 1 147 1014 14 GLU H H 8.888 0.020 1 148 1014 14 GLU HA H 4.082 0.020 1 149 1014 14 GLU HB2 H 2.037 0.020 2 150 1014 14 GLU HB3 H 2.037 0.020 2 151 1014 14 GLU HG2 H 2.306 0.020 2 152 1014 14 GLU HG3 H 2.306 0.020 2 153 1014 14 GLU C C 179.794 0.400 1 154 1014 14 GLU CA C 60.362 0.400 1 155 1014 14 GLU CB C 28.959 0.400 1 156 1014 14 GLU CG C 36.906 0.400 1 157 1014 14 GLU N N 119.254 0.400 1 158 1015 15 THR H H 7.958 0.020 1 159 1015 15 THR HA H 3.784 0.020 1 160 1015 15 THR HB H 4.058 0.020 1 161 1015 15 THR HG2 H 1.188 0.020 1 162 1015 15 THR C C 175.457 0.400 1 163 1015 15 THR CA C 66.498 0.400 1 164 1015 15 THR CB C 67.813 0.400 1 165 1015 15 THR CG2 C 23.072 0.400 1 166 1015 15 THR N N 117.699 0.400 1 167 1016 16 TYR H H 8.042 0.020 1 168 1016 16 TYR HA H 3.742 0.020 1 169 1016 16 TYR HB2 H 3.237 0.020 2 170 1016 16 TYR HB3 H 2.820 0.020 2 171 1016 16 TYR HD1 H 6.777 0.020 1 172 1016 16 TYR HD2 H 6.777 0.020 1 173 1016 16 TYR HE1 H 6.677 0.020 1 174 1016 16 TYR HE2 H 6.677 0.020 1 175 1016 16 TYR C C 175.895 0.400 1 176 1016 16 TYR CA C 63.096 0.400 1 177 1016 16 TYR CB C 39.224 0.400 1 178 1016 16 TYR CD1 C 133.116 0.400 1 179 1016 16 TYR CE1 C 118.368 0.400 1 180 1016 16 TYR N N 122.365 0.400 1 181 1017 17 GLU H H 8.713 0.020 1 182 1017 17 GLU HA H 3.827 0.020 1 183 1017 17 GLU HB2 H 2.124 0.020 2 184 1017 17 GLU HB3 H 2.124 0.020 2 185 1017 17 GLU HG2 H 2.684 0.020 2 186 1017 17 GLU HG3 H 2.426 0.020 2 187 1017 17 GLU C C 179.448 0.400 1 188 1017 17 GLU CA C 59.879 0.400 1 189 1017 17 GLU CB C 29.245 0.400 1 190 1017 17 GLU CG C 37.199 0.400 1 191 1017 17 GLU N N 116.940 0.400 1 192 1018 18 MET H H 7.505 0.020 1 193 1018 18 MET HA H 4.291 0.020 1 194 1018 18 MET HB2 H 2.575 0.020 2 195 1018 18 MET HB3 H 2.421 0.020 2 196 1018 18 MET HG2 H 2.219 0.020 2 197 1018 18 MET HG3 H 2.219 0.020 2 198 1018 18 MET HE H 2.013 0.020 1 199 1018 18 MET C C 178.050 0.400 1 200 1018 18 MET CA C 58.815 0.400 1 201 1018 18 MET CB C 32.736 0.400 1 202 1018 18 MET CE C 18.011 0.400 1 203 1018 18 MET N N 118.965 0.400 1 204 1019 19 LEU H H 8.151 0.020 1 205 1019 19 LEU HA H 3.823 0.020 1 206 1019 19 LEU HB2 H 1.066 0.020 2 207 1019 19 LEU HB3 H 1.787 0.020 2 208 1019 19 LEU HG H 1.442 0.020 1 209 1019 19 LEU HD1 H 0.670 0.020 2 210 1019 19 LEU HD2 H 0.670 0.020 2 211 1019 19 LEU C C 178.443 0.400 1 212 1019 19 LEU CA C 57.561 0.400 1 213 1019 19 LEU CB C 41.755 0.400 1 214 1019 19 LEU CG C 27.231 0.400 1 215 1019 19 LEU CD1 C 22.993 0.400 1 216 1019 19 LEU N N 117.499 0.400 1 217 1020 20 LEU H H 8.649 0.020 1 218 1020 20 LEU HA H 3.764 0.020 1 219 1020 20 LEU HB2 H 1.247 0.020 2 220 1020 20 LEU HB3 H 1.247 0.020 2 221 1020 20 LEU HG H 1.430 0.020 1 222 1020 20 LEU HD1 H 0.846 0.020 2 223 1020 20 LEU HD2 H 0.846 0.020 2 224 1020 20 LEU C C 178.475 0.400 1 225 1020 20 LEU CA C 58.702 0.400 1 226 1020 20 LEU CB C 41.865 0.400 1 227 1020 20 LEU CG C 26.812 0.400 1 228 1020 20 LEU CD1 C 24.962 0.400 1 229 1020 20 LEU N N 120.873 0.400 1 230 1021 21 GLU H H 7.379 0.020 1 231 1021 21 GLU HA H 4.061 0.020 1 232 1021 21 GLU HB2 H 2.069 0.020 2 233 1021 21 GLU HB3 H 2.179 0.020 2 234 1021 21 GLU HG2 H 2.208 0.020 2 235 1021 21 GLU HG3 H 2.436 0.020 2 236 1021 21 GLU C C 179.572 0.400 1 237 1021 21 GLU CA C 59.700 0.400 1 238 1021 21 GLU CB C 29.294 0.400 1 239 1021 21 GLU CG C 35.703 0.400 1 240 1021 21 GLU N N 118.433 0.400 1 241 1022 22 ILE H H 7.649 0.020 1 242 1022 22 ILE HA H 3.715 0.020 1 243 1022 22 ILE HB H 1.807 0.020 1 244 1022 22 ILE HG12 H 1.728 0.020 2 245 1022 22 ILE HG13 H 1.136 0.020 2 246 1022 22 ILE HG2 H 0.784 0.020 1 247 1022 22 ILE HD1 H 0.746 0.020 1 248 1022 22 ILE C C 177.909 0.400 1 249 1022 22 ILE CA C 64.520 0.400 1 250 1022 22 ILE CB C 37.912 0.400 1 251 1022 22 ILE CG1 C 28.189 0.400 1 252 1022 22 ILE CG2 C 18.339 0.400 1 253 1022 22 ILE CD1 C 13.936 0.400 1 254 1022 22 ILE N N 116.978 0.400 1 255 1023 23 LYS H H 9.094 0.020 1 256 1023 23 LYS HA H 3.708 0.020 1 257 1023 23 LYS HB2 H 2.042 0.020 2 258 1023 23 LYS HB3 H 2.042 0.020 2 259 1023 23 LYS HG2 H 1.468 0.020 2 260 1023 23 LYS HG3 H 1.468 0.020 2 261 1023 23 LYS HD2 H 1.866 0.020 2 262 1023 23 LYS HD3 H 1.477 0.020 2 263 1023 23 LYS HE2 H 2.979 0.020 2 264 1023 23 LYS HE3 H 2.979 0.020 2 265 1023 23 LYS C C 177.322 0.400 1 266 1023 23 LYS CA C 60.543 0.400 1 267 1023 23 LYS CB C 32.495 0.400 1 268 1023 23 LYS CG C 25.116 0.400 1 269 1023 23 LYS CD C 29.918 0.400 1 270 1023 23 LYS CE C 42.419 0.400 1 271 1023 23 LYS N N 122.631 0.400 1 272 1024 24 GLU H H 8.320 0.020 1 273 1024 24 GLU HA H 4.241 0.020 1 274 1024 24 GLU HB2 H 2.261 0.020 2 275 1024 24 GLU HB3 H 2.261 0.020 2 276 1024 24 GLU HG2 H 2.252 0.020 2 277 1024 24 GLU HG3 H 2.562 0.020 2 278 1024 24 GLU C C 177.755 0.400 1 279 1024 24 GLU CA C 59.767 0.400 1 280 1024 24 GLU CB C 29.767 0.400 1 281 1024 24 GLU CG C 37.220 0.400 1 282 1024 24 GLU N N 117.756 0.400 1 283 1025 25 SER H H 7.425 0.020 1 284 1025 25 SER HA H 4.174 0.020 1 285 1025 25 SER HB2 H 3.973 0.020 2 286 1025 25 SER HB3 H 3.767 0.020 2 287 1025 25 SER C C 175.840 0.400 1 288 1025 25 SER CA C 62.272 0.400 1 289 1025 25 SER CB C 63.277 0.400 1 290 1025 25 SER N N 114.010 0.400 1 291 1026 26 LEU H H 7.625 0.020 1 292 1026 26 LEU HA H 4.045 0.020 1 293 1026 26 LEU HB2 H 1.481 0.020 2 294 1026 26 LEU HB3 H 1.481 0.020 2 295 1026 26 LEU HG H 1.821 0.020 1 296 1026 26 LEU HD1 H 0.855 0.020 2 297 1026 26 LEU C C 180.418 0.400 1 298 1026 26 LEU CA C 57.999 0.400 1 299 1026 26 LEU CB C 42.710 0.400 1 300 1026 26 LEU CG C 26.763 0.400 1 301 1026 26 LEU CD1 C 22.608 0.400 1 302 1026 26 LEU N N 122.202 0.400 1 303 1027 27 GLU H H 8.593 0.020 1 304 1027 27 GLU HA H 4.079 0.020 1 305 1027 27 GLU HG2 H 2.789 0.020 2 306 1027 27 GLU HG3 H 2.346 0.020 2 307 1027 27 GLU C C 180.128 0.400 1 308 1027 27 GLU CA C 59.636 0.400 1 309 1027 27 GLU CB C 29.557 0.400 1 310 1027 27 GLU CG C 38.354 0.400 1 311 1027 27 GLU N N 118.591 0.400 1 312 1028 28 LEU H H 8.468 0.020 1 313 1028 28 LEU HA H 3.967 0.020 1 314 1028 28 LEU HB2 H 1.817 0.020 2 315 1028 28 LEU HB3 H 1.227 0.020 2 316 1028 28 LEU HD1 H 0.657 0.020 2 317 1028 28 LEU HD2 H 0.469 0.020 2 318 1028 28 LEU C C 178.567 0.400 1 319 1028 28 LEU CA C 57.289 0.400 1 320 1028 28 LEU CB C 41.847 0.400 1 321 1028 28 LEU CD1 C 26.940 0.400 1 322 1028 28 LEU CD2 C 23.989 0.400 1 323 1028 28 LEU N N 119.793 0.400 1 324 1029 29 MET H H 7.279 0.020 1 325 1029 29 MET HA H 3.928 0.020 1 326 1029 29 MET HB2 H 2.098 0.020 2 327 1029 29 MET HB3 H 2.012 0.020 2 328 1029 29 MET HG2 H 2.587 0.020 2 329 1029 29 MET HG3 H 2.688 0.020 2 330 1029 29 MET HE H 1.943 0.020 1 331 1029 29 MET C C 177.907 0.400 1 332 1029 29 MET CA C 58.463 0.400 1 333 1029 29 MET CB C 33.047 0.400 1 334 1029 29 MET CG C 31.955 0.400 1 335 1029 29 MET CE C 17.262 0.400 1 336 1029 29 MET N N 115.804 0.400 1 337 1030 30 GLN H H 7.138 0.020 1 338 1030 30 GLN HA H 4.120 0.020 1 339 1030 30 GLN HB2 H 1.969 0.020 2 340 1030 30 GLN HB3 H 1.881 0.020 2 341 1030 30 GLN HG2 H 2.253 0.020 2 342 1030 30 GLN HG3 H 2.253 0.020 2 343 1030 30 GLN C C 176.520 0.400 1 344 1030 30 GLN CA C 56.935 0.400 1 345 1030 30 GLN CB C 28.342 0.400 1 346 1030 30 GLN CG C 33.415 0.400 1 347 1030 30 GLN N N 114.048 0.400 1 348 1031 31 TYR H H 7.764 0.020 1 349 1031 31 TYR HA H 4.483 0.020 1 350 1031 31 TYR HB2 H 3.313 0.020 2 351 1031 31 TYR HB3 H 2.928 0.020 2 352 1031 31 TYR HD1 H 7.258 0.020 1 353 1031 31 TYR HD2 H 7.258 0.020 1 354 1031 31 TYR HE1 H 6.796 0.020 1 355 1031 31 TYR HE2 H 6.796 0.020 1 356 1031 31 TYR C C 176.095 0.400 1 357 1031 31 TYR CA C 58.425 0.400 1 358 1031 31 TYR CB C 38.492 0.400 1 359 1031 31 TYR CD1 C 133.087 0.400 1 360 1031 31 TYR N N 117.000 0.400 1 361 1032 32 LEU H H 7.368 0.020 1 362 1032 32 LEU HA H 2.906 0.020 1 363 1032 32 LEU HB2 H 1.920 0.020 2 364 1032 32 LEU HB3 H 1.920 0.020 2 365 1032 32 LEU HG H 0.871 0.020 1 366 1032 32 LEU C C 174.141 0.400 1 367 1032 32 LEU CA C 52.337 0.400 1 368 1032 32 LEU CB C 42.269 0.400 1 369 1032 32 LEU CG C 27.404 0.400 1 370 1032 32 LEU N N 120.517 0.400 1 371 1033 33 PRO HD2 H 3.520 0.020 2 372 1033 33 PRO HD3 H 4.007 0.020 2 373 1033 33 PRO CD C 50.551 0.400 1 374 1034 34 GLN HA H 4.547 0.020 1 375 1034 34 GLN HB2 H 2.429 0.020 2 376 1034 34 GLN HB3 H 1.806 0.020 2 377 1034 34 GLN CB C 32.286 0.400 1 378 1035 35 HIS H H 8.869 0.020 1 379 1035 35 HIS HA H 4.472 0.020 1 380 1035 35 HIS HB2 H 3.298 0.020 2 381 1035 35 HIS HB3 H 3.115 0.020 2 382 1035 35 HIS HD2 H 7.146 0.020 1 383 1035 35 HIS HE1 H 7.927 0.020 1 384 1035 35 HIS C C 177.836 0.400 1 385 1035 35 HIS CA C 59.366 0.400 1 386 1035 35 HIS CB C 29.512 0.400 1 387 1035 35 HIS CD2 C 120.025 0.400 1 388 1035 35 HIS CE1 C 138.550 0.400 1 389 1035 35 HIS N N 124.090 0.400 1 390 1036 36 THR H H 7.138 0.020 1 391 1036 36 THR HA H 3.946 0.020 1 392 1036 36 THR HB H 4.157 0.020 1 393 1036 36 THR HG2 H 1.251 0.020 1 394 1036 36 THR C C 176.029 0.400 1 395 1036 36 THR CA C 66.606 0.400 1 396 1036 36 THR CB C 68.598 0.400 1 397 1036 36 THR CG2 C 22.866 0.400 1 398 1036 36 THR N N 119.182 0.400 1 399 1037 37 ILE H H 7.193 0.020 1 400 1037 37 ILE HA H 3.562 0.020 1 401 1037 37 ILE HB H 1.917 0.020 1 402 1037 37 ILE HG12 H 0.897 0.020 2 403 1037 37 ILE HG13 H 1.513 0.020 2 404 1037 37 ILE HG2 H 0.812 0.020 1 405 1037 37 ILE HD1 H 0.823 0.020 1 406 1037 37 ILE C C 177.685 0.400 1 407 1037 37 ILE CA C 65.667 0.400 1 408 1037 37 ILE CB C 38.204 0.400 1 409 1037 37 ILE CG1 C 29.223 0.400 1 410 1037 37 ILE CG2 C 16.687 0.400 1 411 1037 37 ILE CD1 C 13.468 0.400 1 412 1037 37 ILE N N 122.903 0.400 1 413 1038 38 GLU H H 8.578 0.020 1 414 1038 38 GLU HA H 4.049 0.020 1 415 1038 38 GLU HB2 H 2.098 0.020 2 416 1038 38 GLU HB3 H 2.098 0.020 2 417 1038 38 GLU HG2 H 2.410 0.020 2 418 1038 38 GLU HG3 H 2.341 0.020 2 419 1038 38 GLU C C 179.575 0.400 1 420 1038 38 GLU CA C 59.745 0.400 1 421 1038 38 GLU CB C 29.441 0.400 1 422 1038 38 GLU CG C 36.448 0.400 1 423 1038 38 GLU N N 118.719 0.400 1 424 1039 39 THR H H 8.124 0.020 1 425 1039 39 THR HA H 3.936 0.020 1 426 1039 39 THR HB H 4.264 0.020 1 427 1039 39 THR HG2 H 1.245 0.020 1 428 1039 39 THR C C 176.203 0.400 1 429 1039 39 THR CA C 66.989 0.400 1 430 1039 39 THR CB C 68.845 0.400 1 431 1039 39 THR CG2 C 21.508 0.400 1 432 1039 39 THR N N 116.297 0.400 1 433 1040 40 TYR H H 7.730 0.020 1 434 1040 40 TYR HA H 4.223 0.020 1 435 1040 40 TYR HB2 H 3.329 0.020 2 436 1040 40 TYR HB3 H 3.094 0.020 2 437 1040 40 TYR HD1 H 7.059 0.020 1 438 1040 40 TYR HD2 H 7.059 0.020 1 439 1040 40 TYR HE1 H 6.793 0.020 1 440 1040 40 TYR HE2 H 6.793 0.020 1 441 1040 40 TYR C C 178.058 0.400 1 442 1040 40 TYR CA C 61.902 0.400 1 443 1040 40 TYR CB C 38.583 0.400 1 444 1040 40 TYR CD1 C 133.346 0.400 1 445 1040 40 TYR CE1 C 118.182 0.400 1 446 1040 40 TYR N N 123.453 0.400 1 447 1041 41 ARG H H 8.635 0.020 1 448 1041 41 ARG HA H 3.802 0.020 1 449 1041 41 ARG HB2 H 1.950 0.020 2 450 1041 41 ARG HB3 H 1.950 0.020 2 451 1041 41 ARG HG2 H 1.782 0.020 2 452 1041 41 ARG HG3 H 1.782 0.020 2 453 1041 41 ARG HD2 H 3.051 0.020 2 454 1041 41 ARG HD3 H 3.051 0.020 2 455 1041 41 ARG HE H 8.491 0.020 1 456 1041 41 ARG C C 179.552 0.400 1 457 1041 41 ARG CA C 60.487 0.400 1 458 1041 41 ARG CB C 30.078 0.400 1 459 1041 41 ARG CG C 29.165 0.400 1 460 1041 41 ARG CD C 43.879 0.400 1 461 1041 41 ARG N N 119.944 0.400 1 462 1041 41 ARG NE N 136.898 0.400 1 463 1042 42 GLN H H 8.225 0.020 1 464 1042 42 GLN HA H 4.083 0.020 1 465 1042 42 GLN HG2 H 2.568 0.020 2 466 1042 42 GLN HG3 H 2.365 0.020 2 467 1042 42 GLN C C 178.700 0.400 1 468 1042 42 GLN CA C 58.828 0.400 1 469 1042 42 GLN CB C 28.352 0.400 1 470 1042 42 GLN CG C 33.973 0.400 1 471 1042 42 GLN N N 119.455 0.400 1 472 1043 43 GLN H H 7.894 0.020 1 473 1043 43 GLN HA H 4.088 0.020 1 474 1043 43 GLN HG2 H 2.565 0.020 2 475 1043 43 GLN HG3 H 2.370 0.020 2 476 1043 43 GLN C C 178.664 0.400 1 477 1043 43 GLN CA C 58.347 0.400 1 478 1043 43 GLN CB C 28.179 0.400 1 479 1043 43 GLN CG C 34.038 0.400 1 480 1043 43 GLN N N 118.905 0.400 1 481 1044 44 GLN H H 8.034 0.020 1 482 1044 44 GLN HA H 3.947 0.020 1 483 1044 44 GLN HG2 H 2.027 0.020 2 484 1044 44 GLN HG3 H 2.027 0.020 2 485 1044 44 GLN C C 178.320 0.400 1 486 1044 44 GLN CA C 57.285 0.400 1 487 1044 44 GLN CB C 28.161 0.400 1 488 1044 44 GLN CG C 33.561 0.400 1 489 1044 44 GLN N N 117.762 0.400 1 490 1045 45 GLN H H 7.997 0.020 1 491 1045 45 GLN HA H 4.191 0.020 1 492 1045 45 GLN HB2 H 2.196 0.020 2 493 1045 45 GLN HB3 H 2.196 0.020 2 494 1045 45 GLN HG2 H 2.475 0.020 2 495 1045 45 GLN HG3 H 2.475 0.020 2 496 1045 45 GLN C C 177.742 0.400 1 497 1045 45 GLN CA C 58.171 0.400 1 498 1045 45 GLN CB C 28.493 0.400 1 499 1045 45 GLN CG C 33.959 0.400 1 500 1045 45 GLN N N 119.382 0.400 1 501 1046 46 GLN H H 7.870 0.020 1 502 1046 46 GLN HA H 4.196 0.020 1 503 1046 46 GLN HB2 H 2.143 0.020 2 504 1046 46 GLN HB3 H 2.143 0.020 2 505 1046 46 GLN HG2 H 2.452 0.020 2 506 1046 46 GLN HG3 H 2.452 0.020 2 507 1046 46 GLN C C 177.540 0.400 1 508 1046 46 GLN CA C 57.685 0.400 1 509 1046 46 GLN CB C 28.743 0.400 1 510 1046 46 GLN CG C 34.010 0.400 1 511 1046 46 GLN N N 118.664 0.400 1 512 1047 47 GLN H H 8.043 0.020 1 513 1047 47 GLN C C 177.073 0.400 1 514 1047 47 GLN CA C 57.328 0.400 1 515 1047 47 GLN CB C 28.925 0.400 1 516 1047 47 GLN N N 118.622 0.400 1 517 1048 48 HIS HA H 4.573 0.020 1 518 1048 48 HIS HB2 H 3.184 0.020 2 519 1048 48 HIS HB3 H 3.300 0.020 2 520 1048 48 HIS HD2 H 7.207 0.020 1 521 1048 48 HIS C C 176.277 0.400 1 522 1048 48 HIS CA C 57.913 0.400 1 523 1048 48 HIS CB C 30.219 0.400 1 524 1048 48 HIS CD2 C 121.459 0.400 1 525 1049 49 GLN H H 8.117 0.020 1 526 1049 49 GLN HA H 4.215 0.020 1 527 1049 49 GLN HB2 H 2.093 0.020 2 528 1049 49 GLN HB3 H 2.093 0.020 2 529 1049 49 GLN HG2 H 2.385 0.020 2 530 1049 49 GLN HG3 H 2.385 0.020 2 531 1049 49 GLN C C 176.896 0.400 1 532 1049 49 GLN CA C 57.545 0.400 1 533 1049 49 GLN CB C 28.874 0.400 1 534 1049 49 GLN CG C 33.945 0.400 1 535 1049 49 GLN N N 119.554 0.400 1 536 1050 50 HIS H H 8.138 0.020 1 537 1050 50 HIS HA H 4.548 0.020 1 538 1050 50 HIS HB2 H 3.148 0.020 2 539 1050 50 HIS HB3 H 3.148 0.020 2 540 1050 50 HIS HD2 H 7.035 0.020 1 541 1050 50 HIS C C 176.265 0.400 1 542 1050 50 HIS CA C 57.300 0.400 1 543 1050 50 HIS CB C 30.189 0.400 1 544 1050 50 HIS CD2 C 120.038 0.400 1 545 1050 50 HIS N N 118.665 0.400 1 546 1051 51 LEU H H 7.809 0.020 1 547 1051 51 LEU HA H 4.170 0.020 1 548 1051 51 LEU HB2 H 1.629 0.020 2 549 1051 51 LEU HB3 H 1.629 0.020 2 550 1051 51 LEU HG H 1.458 0.020 1 551 1051 51 LEU HD1 H 0.822 0.020 2 552 1051 51 LEU HD2 H 0.822 0.020 2 553 1051 51 LEU C C 177.627 0.400 1 554 1051 51 LEU CA C 56.203 0.400 1 555 1051 51 LEU CB C 42.144 0.400 1 556 1051 51 LEU CG C 26.996 0.400 1 557 1051 51 LEU CD1 C 25.037 0.400 1 558 1051 51 LEU CD2 C 23.883 0.400 1 559 1051 51 LEU N N 121.208 0.400 1 560 1052 52 LEU H H 7.924 0.020 1 561 1052 52 LEU HA H 4.178 0.020 1 562 1052 52 LEU HB2 H 1.564 0.020 2 563 1052 52 LEU HB3 H 1.564 0.020 2 564 1052 52 LEU HG H 1.562 0.020 1 565 1052 52 LEU HD1 H 0.830 0.020 2 566 1052 52 LEU HD2 H 0.830 0.020 2 567 1052 52 LEU C C 177.799 0.400 1 568 1052 52 LEU CA C 55.993 0.400 1 569 1052 52 LEU CB C 42.118 0.400 1 570 1052 52 LEU CG C 26.999 0.400 1 571 1052 52 LEU CD1 C 25.008 0.400 1 572 1052 52 LEU CD2 C 23.567 0.400 1 573 1052 52 LEU N N 120.700 0.400 1 574 1053 53 GLN H H 7.986 0.020 1 575 1053 53 GLN HA H 4.215 0.020 1 576 1053 53 GLN HB2 H 2.086 0.020 2 577 1053 53 GLN HB3 H 2.013 0.020 2 578 1053 53 GLN HG2 H 2.352 0.020 2 579 1053 53 GLN HG3 H 2.352 0.020 2 580 1053 53 GLN C C 176.327 0.400 1 581 1053 53 GLN CA C 56.492 0.400 1 582 1053 53 GLN CB C 29.202 0.400 1 583 1053 53 GLN CG C 33.904 0.400 1 584 1053 53 GLN N N 119.631 0.400 1 585 1054 54 LYS H H 8.053 0.020 1 586 1054 54 LYS HA H 4.227 0.020 1 587 1054 54 LYS HB2 H 1.795 0.020 2 588 1054 54 LYS HB3 H 1.735 0.020 2 589 1054 54 LYS HG2 H 1.404 0.020 2 590 1054 54 LYS HG3 H 1.358 0.020 2 591 1054 54 LYS HD2 H 1.622 0.020 2 592 1054 54 LYS HD3 H 1.622 0.020 2 593 1054 54 LYS HE2 H 2.931 0.020 2 594 1054 54 LYS HE3 H 2.931 0.020 2 595 1054 54 LYS C C 176.812 0.400 1 596 1054 54 LYS CA C 56.680 0.400 1 597 1054 54 LYS CB C 32.898 0.400 1 598 1054 54 LYS CG C 24.731 0.400 1 599 1054 54 LYS CD C 29.071 0.400 1 600 1054 54 LYS CE C 42.176 0.400 1 601 1054 54 LYS N N 121.278 0.400 1 602 1055 55 GLN H H 8.249 0.020 1 603 1055 55 GLN HA H 4.322 0.020 1 604 1055 55 GLN HB2 H 2.081 0.020 2 605 1055 55 GLN HB3 H 1.959 0.020 2 606 1055 55 GLN HG2 H 2.296 0.020 2 607 1055 55 GLN HG3 H 2.296 0.020 2 608 1055 55 GLN C C 176.291 0.400 1 609 1055 55 GLN CA C 56.199 0.400 1 610 1055 55 GLN CB C 29.392 0.400 1 611 1055 55 GLN CG C 33.814 0.400 1 612 1055 55 GLN N N 120.539 0.400 1 613 1056 56 THR H H 8.063 0.020 1 614 1056 56 THR HA H 4.347 0.020 1 615 1056 56 THR HB H 4.233 0.020 1 616 1056 56 THR HG2 H 1.196 0.020 1 617 1056 56 THR C C 174.526 0.400 1 618 1056 56 THR CA C 62.075 0.400 1 619 1056 56 THR CB C 69.852 0.400 1 620 1056 56 THR CG2 C 21.600 0.400 1 621 1056 56 THR N N 114.334 0.400 1 622 1057 57 SER H H 8.163 0.020 1 623 1057 57 SER HA H 4.502 0.020 1 624 1057 57 SER HB2 H 3.868 0.020 2 625 1057 57 SER HB3 H 3.868 0.020 2 626 1057 57 SER C C 174.275 0.400 1 627 1057 57 SER CA C 58.405 0.400 1 628 1057 57 SER CB C 63.949 0.400 1 629 1057 57 SER N N 117.856 0.400 1 630 1058 58 ILE H H 8.049 0.020 1 631 1058 58 ILE HA H 4.194 0.020 1 632 1058 58 ILE HB H 1.856 0.020 1 633 1058 58 ILE HG12 H 1.445 0.020 2 634 1058 58 ILE HG13 H 1.162 0.020 2 635 1058 58 ILE HG2 H 0.881 0.020 1 636 1058 58 ILE HD1 H 0.827 0.020 1 637 1058 58 ILE C C 176.006 0.400 1 638 1058 58 ILE CA C 61.275 0.400 1 639 1058 58 ILE CB C 38.820 0.400 1 640 1058 58 ILE CG1 C 27.288 0.400 1 641 1058 58 ILE CG2 C 17.571 0.400 1 642 1058 58 ILE CD1 C 13.017 0.400 1 643 1058 58 ILE N N 122.144 0.400 1 644 1059 59 GLN H H 8.327 0.020 1 645 1059 59 GLN HA H 4.416 0.020 1 646 1059 59 GLN HB2 H 2.143 0.020 2 647 1059 59 GLN HB3 H 1.985 0.020 2 648 1059 59 GLN HG2 H 2.367 0.020 2 649 1059 59 GLN HG3 H 2.367 0.020 2 650 1059 59 GLN C C 174.974 0.400 1 651 1059 59 GLN CA C 55.845 0.400 1 652 1059 59 GLN CB C 29.748 0.400 1 653 1059 59 GLN CG C 33.916 0.400 1 654 1059 59 GLN N N 124.842 0.400 1 655 1060 60 SER H H 7.961 0.020 1 656 1060 60 SER HA H 4.267 0.020 1 657 1060 60 SER HB2 H 3.837 0.020 2 658 1060 60 SER HB3 H 3.837 0.020 2 659 1060 60 SER CA C 60.023 0.400 1 660 1060 60 SER CB C 64.970 0.400 1 661 1060 60 SER N N 123.632 0.400 1 stop_ save_ save_assigned_chem_shift_list_1_4 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCACB' '3D HN(CA)CO' '3D H(CCO)NH' '3D C(CO)NH' '2D 1H-13C HSQC aromatic' '2D (H)CB(CG)CCH-TOCSY' '2D (HB)CB(CDCD)HD' '2D 1H-13C HSQC' stop_ loop_ _Sample_label $p63_13C15N_p73 $p63_p73_13C15N stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity_2_2 _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 1094 2 SER HB2 H 3.928 0.020 2 2 1094 2 SER HB3 H 3.890 0.020 2 3 1094 2 SER CA C 58.711 0.400 1 4 1094 2 SER CB C 63.860 0.400 1 5 1095 3 ASP H H 8.562 0.020 1 6 1095 3 ASP HA H 4.639 0.020 1 7 1095 3 ASP HB2 H 2.764 0.020 2 8 1095 3 ASP HB3 H 2.665 0.020 2 9 1095 3 ASP C C 176.278 0.400 1 10 1095 3 ASP CA C 54.810 0.400 1 11 1095 3 ASP CB C 41.016 0.400 1 12 1095 3 ASP N N 122.025 0.400 1 13 1096 4 GLU H H 8.250 0.020 1 14 1096 4 GLU HA H 4.298 0.020 1 15 1096 4 GLU HB2 H 2.122 0.020 2 16 1096 4 GLU HB3 H 1.905 0.020 2 17 1096 4 GLU HG2 H 2.250 0.020 2 18 1096 4 GLU HG3 H 2.250 0.020 2 19 1096 4 GLU C C 176.192 0.400 1 20 1096 4 GLU CA C 56.585 0.400 1 21 1096 4 GLU CB C 30.397 0.400 1 22 1096 4 GLU CG C 36.418 0.400 1 23 1096 4 GLU N N 120.066 0.400 1 24 1097 5 ASP H H 8.201 0.020 1 25 1097 5 ASP HA H 4.573 0.020 1 26 1097 5 ASP HB2 H 2.601 0.020 2 27 1097 5 ASP HB3 H 2.601 0.020 2 28 1097 5 ASP C C 174.498 0.400 1 29 1097 5 ASP CA C 54.406 0.400 1 30 1097 5 ASP CB C 41.369 0.400 1 31 1097 5 ASP N N 121.351 0.400 1 32 1098 6 THR H H 7.557 0.020 1 33 1098 6 THR HA H 4.655 0.020 1 34 1098 6 THR HB H 3.722 0.020 1 35 1098 6 THR HG2 H 0.862 0.020 1 36 1098 6 THR C C 172.624 0.400 1 37 1098 6 THR CA C 62.159 0.400 1 38 1098 6 THR CB C 70.272 0.400 1 39 1098 6 THR CG2 C 21.804 0.400 1 40 1098 6 THR N N 114.380 0.400 1 41 1099 7 TYR H H 8.926 0.020 1 42 1099 7 TYR HA H 4.350 0.020 1 43 1099 7 TYR HB2 H 2.104 0.020 2 44 1099 7 TYR HB3 H 2.104 0.020 2 45 1099 7 TYR HD1 H 6.485 0.020 1 46 1099 7 TYR HD2 H 6.485 0.020 1 47 1099 7 TYR HE1 H 6.445 0.020 1 48 1099 7 TYR HE2 H 6.445 0.020 1 49 1099 7 TYR C C 174.022 0.400 1 50 1099 7 TYR CA C 56.835 0.400 1 51 1099 7 TYR CB C 42.581 0.400 1 52 1099 7 TYR CD1 C 133.400 0.400 1 53 1099 7 TYR CE1 C 117.091 0.400 1 54 1099 7 TYR N N 124.760 0.400 1 55 1100 8 TYR H H 8.401 0.020 1 56 1100 8 TYR HA H 5.441 0.020 1 57 1100 8 TYR HB2 H 2.920 0.020 2 58 1100 8 TYR HB3 H 2.821 0.020 2 59 1100 8 TYR HD1 H 6.984 0.020 1 60 1100 8 TYR HD2 H 6.984 0.020 1 61 1100 8 TYR HE1 H 6.663 0.020 1 62 1100 8 TYR HE2 H 6.663 0.020 1 63 1100 8 TYR C C 174.891 0.400 1 64 1100 8 TYR CA C 57.289 0.400 1 65 1100 8 TYR CB C 41.584 0.400 1 66 1100 8 TYR CD1 C 133.033 0.400 1 67 1100 8 TYR CE1 C 118.034 0.400 1 68 1100 8 TYR N N 118.700 0.400 1 69 1101 9 LEU H H 9.204 0.020 1 70 1101 9 LEU HA H 4.992 0.020 1 71 1101 9 LEU HB2 H 1.854 0.020 2 72 1101 9 LEU HB3 H 1.620 0.020 2 73 1101 9 LEU HG H 1.775 0.020 1 74 1101 9 LEU HD1 H 0.819 0.020 2 75 1101 9 LEU HD2 H 0.776 0.020 2 76 1101 9 LEU C C 174.466 0.400 1 77 1101 9 LEU CA C 54.498 0.400 1 78 1101 9 LEU CB C 46.266 0.400 1 79 1101 9 LEU CG C 26.939 0.400 1 80 1101 9 LEU CD1 C 26.375 0.400 1 81 1101 9 LEU CD2 C 27.073 0.400 1 82 1101 9 LEU N N 121.632 0.400 1 83 1102 10 GLN H H 9.013 0.020 1 84 1102 10 GLN HA H 5.080 0.020 1 85 1102 10 GLN HB2 H 1.817 0.020 2 86 1102 10 GLN HB3 H 1.936 0.020 2 87 1102 10 GLN HG2 H 1.993 0.020 2 88 1102 10 GLN HG3 H 1.993 0.020 2 89 1102 10 GLN HE21 H 6.763 0.020 2 90 1102 10 GLN HE22 H 7.171 0.020 2 91 1102 10 GLN C C 174.509 0.400 1 92 1102 10 GLN CA C 54.374 0.400 1 93 1102 10 GLN CB C 31.382 0.400 1 94 1102 10 GLN CG C 34.225 0.400 1 95 1102 10 GLN N N 123.532 0.400 1 96 1102 10 GLN NE2 N 111.543 0.400 1 97 1103 11 VAL H H 9.159 0.020 1 98 1103 11 VAL HA H 4.599 0.020 1 99 1103 11 VAL HB H 1.858 0.020 1 100 1103 11 VAL HG1 H 0.974 0.020 2 101 1103 11 VAL HG2 H 0.942 0.020 2 102 1103 11 VAL C C 172.608 0.400 1 103 1103 11 VAL CA C 60.198 0.400 1 104 1103 11 VAL CB C 35.603 0.400 1 105 1103 11 VAL CG1 C 22.465 0.400 1 106 1103 11 VAL CG2 C 20.695 0.400 1 107 1103 11 VAL N N 124.091 0.400 1 108 1104 12 ARG H H 9.324 0.020 1 109 1104 12 ARG HA H 4.890 0.020 1 110 1104 12 ARG HB2 H 1.824 0.020 2 111 1104 12 ARG HB3 H 1.699 0.020 2 112 1104 12 ARG HG2 H 1.595 0.020 2 113 1104 12 ARG HG3 H 1.595 0.020 2 114 1104 12 ARG HD2 H 3.221 0.020 2 115 1104 12 ARG HD3 H 3.221 0.020 2 116 1104 12 ARG HE H 8.184 0.020 1 117 1104 12 ARG C C 176.488 0.400 1 118 1104 12 ARG CA C 55.820 0.400 1 119 1104 12 ARG CB C 31.257 0.400 1 120 1104 12 ARG CG C 27.514 0.400 1 121 1104 12 ARG CD C 43.493 0.400 1 122 1104 12 ARG N N 129.114 0.400 1 123 1104 12 ARG NE N 136.282 0.400 1 124 1105 13 GLY H H 8.813 0.020 1 125 1105 13 GLY HA2 H 4.696 0.020 2 126 1105 13 GLY HA3 H 3.911 0.020 2 127 1105 13 GLY C C 176.498 0.400 1 128 1105 13 GLY CA C 44.970 0.400 1 129 1105 13 GLY N N 114.585 0.400 1 130 1106 14 ARG H H 8.866 0.020 1 131 1106 14 ARG HA H 3.525 0.020 1 132 1106 14 ARG HB2 H 2.044 0.020 2 133 1106 14 ARG HB3 H 1.862 0.020 2 134 1106 14 ARG HG2 H 1.693 0.020 2 135 1106 14 ARG HG3 H 1.693 0.020 2 136 1106 14 ARG HD2 H 3.112 0.020 2 137 1106 14 ARG HD3 H 3.112 0.020 2 138 1106 14 ARG C C 177.603 0.400 1 139 1106 14 ARG CA C 59.637 0.400 1 140 1106 14 ARG CB C 29.841 0.400 1 141 1106 14 ARG CG C 26.877 0.400 1 142 1106 14 ARG CD C 42.924 0.400 1 143 1106 14 ARG N N 127.937 0.400 1 144 1107 15 LYS H H 8.556 0.020 1 145 1107 15 LYS HA H 4.024 0.020 1 146 1107 15 LYS HB2 H 1.864 0.020 2 147 1107 15 LYS HB3 H 1.765 0.020 2 148 1107 15 LYS HG2 H 1.478 0.020 2 149 1107 15 LYS HG3 H 1.355 0.020 2 150 1107 15 LYS HD2 H 1.688 0.020 2 151 1107 15 LYS HD3 H 1.688 0.020 2 152 1107 15 LYS HE2 H 2.947 0.020 2 153 1107 15 LYS HE3 H 2.947 0.020 2 154 1107 15 LYS C C 178.726 0.400 1 155 1107 15 LYS CA C 59.527 0.400 1 156 1107 15 LYS CB C 31.368 0.400 1 157 1107 15 LYS CG C 24.515 0.400 1 158 1107 15 LYS CD C 29.078 0.400 1 159 1107 15 LYS CE C 42.151 0.400 1 160 1107 15 LYS N N 119.095 0.400 1 161 1108 16 ASN H H 7.617 0.020 1 162 1108 16 ASN HA H 4.402 0.020 1 163 1108 16 ASN HB2 H 2.957 0.020 2 164 1108 16 ASN HB3 H 2.268 0.020 2 165 1108 16 ASN HD21 H 6.624 0.020 2 166 1108 16 ASN C C 176.932 0.400 1 167 1108 16 ASN CA C 55.393 0.400 1 168 1108 16 ASN CB C 37.528 0.400 1 169 1108 16 ASN N N 116.769 0.400 1 170 1108 16 ASN ND2 N 114.634 0.400 1 171 1109 17 PHE H H 8.051 0.020 1 172 1109 17 PHE HA H 3.901 0.020 1 173 1109 17 PHE HB2 H 2.594 0.020 2 174 1109 17 PHE HB3 H 2.724 0.020 2 175 1109 17 PHE HD1 H 6.635 0.020 1 176 1109 17 PHE HD2 H 6.635 0.020 1 177 1109 17 PHE HE1 H 7.213 0.020 1 178 1109 17 PHE HE2 H 7.213 0.020 1 179 1109 17 PHE C C 175.757 0.400 1 180 1109 17 PHE CA C 61.430 0.400 1 181 1109 17 PHE CB C 39.099 0.400 1 182 1109 17 PHE CD1 C 131.521 0.400 1 183 1109 17 PHE CE1 C 131.117 0.400 1 184 1109 17 PHE N N 120.646 0.400 1 185 1110 18 GLU H H 8.364 0.020 1 186 1110 18 GLU HA H 3.505 0.020 1 187 1110 18 GLU HB2 H 2.096 0.020 2 188 1110 18 GLU HB3 H 1.930 0.020 2 189 1110 18 GLU HG2 H 2.176 0.020 2 190 1110 18 GLU HG3 H 2.534 0.020 2 191 1110 18 GLU C C 180.017 0.400 1 192 1110 18 GLU CA C 59.873 0.400 1 193 1110 18 GLU CB C 29.177 0.400 1 194 1110 18 GLU CG C 37.152 0.400 1 195 1110 18 GLU N N 117.509 0.400 1 196 1111 19 ILE H H 7.670 0.020 1 197 1111 19 ILE HA H 3.644 0.020 1 198 1111 19 ILE HB H 1.833 0.020 1 199 1111 19 ILE HG12 H 1.833 0.020 2 200 1111 19 ILE HG13 H 0.984 0.020 2 201 1111 19 ILE HG2 H 0.806 0.020 1 202 1111 19 ILE HD1 H 0.840 0.020 1 203 1111 19 ILE C C 177.344 0.400 1 204 1111 19 ILE CA C 65.580 0.400 1 205 1111 19 ILE CB C 38.429 0.400 1 206 1111 19 ILE CG1 C 29.459 0.400 1 207 1111 19 ILE CG2 C 17.073 0.400 1 208 1111 19 ILE CD1 C 13.733 0.400 1 209 1111 19 ILE N N 119.260 0.400 1 210 1112 20 LEU H H 7.937 0.020 1 211 1112 20 LEU HA H 3.804 0.020 1 212 1112 20 LEU HB2 H 1.150 0.020 2 213 1112 20 LEU HB3 H 1.150 0.020 2 214 1112 20 LEU HG H 1.828 0.020 1 215 1112 20 LEU HD1 H 0.731 0.020 2 216 1112 20 LEU C C 178.883 0.400 1 217 1112 20 LEU CA C 58.221 0.400 1 218 1112 20 LEU CB C 41.337 0.400 1 219 1112 20 LEU CG C 26.751 0.400 1 220 1112 20 LEU CD1 C 23.470 0.400 1 221 1112 20 LEU N N 117.913 0.400 1 222 1113 21 MET H H 8.659 0.020 1 223 1113 21 MET HA H 4.032 0.020 1 224 1113 21 MET HB2 H 1.904 0.020 2 225 1113 21 MET HB3 H 1.843 0.020 2 226 1113 21 MET HG2 H 1.821 0.020 2 227 1113 21 MET HG3 H 1.716 0.020 2 228 1113 21 MET HE H 1.883 0.020 1 229 1113 21 MET C C 178.742 0.400 1 230 1113 21 MET CA C 57.871 0.400 1 231 1113 21 MET CB C 31.907 0.400 1 232 1113 21 MET CG C 31.572 0.400 1 233 1113 21 MET CE C 16.833 0.400 1 234 1113 21 MET N N 118.279 0.400 1 235 1114 22 LYS H H 7.381 0.020 1 236 1114 22 LYS HA H 4.023 0.020 1 237 1114 22 LYS HB2 H 1.911 0.020 2 238 1114 22 LYS HB3 H 1.817 0.020 2 239 1114 22 LYS HG2 H 1.377 0.020 2 240 1114 22 LYS HG3 H 1.547 0.020 2 241 1114 22 LYS HD2 H 1.633 0.020 2 242 1114 22 LYS HD3 H 1.633 0.020 2 243 1114 22 LYS HE2 H 2.890 0.020 2 244 1114 22 LYS HE3 H 2.890 0.020 2 245 1114 22 LYS C C 179.072 0.400 1 246 1114 22 LYS CA C 59.346 0.400 1 247 1114 22 LYS CB C 32.224 0.400 1 248 1114 22 LYS CG C 25.296 0.400 1 249 1114 22 LYS CD C 29.305 0.400 1 250 1114 22 LYS CE C 42.200 0.400 1 251 1114 22 LYS N N 120.560 0.400 1 252 1115 23 LEU H H 7.688 0.020 1 253 1115 23 LEU HA H 4.345 0.020 1 254 1115 23 LEU HB2 H 1.644 0.020 2 255 1115 23 LEU HB3 H 1.234 0.020 2 256 1115 23 LEU HG H 0.721 0.020 1 257 1115 23 LEU HD1 H 0.695 0.020 2 258 1115 23 LEU C C 177.923 0.400 1 259 1115 23 LEU CA C 56.462 0.400 1 260 1115 23 LEU CB C 41.718 0.400 1 261 1115 23 LEU CG C 26.351 0.400 1 262 1115 23 LEU CD1 C 24.109 0.400 1 263 1115 23 LEU N N 118.891 0.400 1 264 1116 24 LYS H H 8.884 0.020 1 265 1116 24 LYS HA H 3.730 0.020 1 266 1116 24 LYS HB2 H 2.102 0.020 2 267 1116 24 LYS HB3 H 1.897 0.020 2 268 1116 24 LYS HG2 H 1.413 0.020 2 269 1116 24 LYS HG3 H 1.581 0.020 2 270 1116 24 LYS HD2 H 1.682 0.020 2 271 1116 24 LYS HD3 H 1.925 0.020 2 272 1116 24 LYS C C 177.059 0.400 1 273 1116 24 LYS CA C 60.465 0.400 1 274 1116 24 LYS CB C 33.137 0.400 1 275 1116 24 LYS CG C 24.741 0.400 1 276 1116 24 LYS CD C 30.050 0.400 1 277 1116 24 LYS CE C 43.381 0.400 1 278 1116 24 LYS N N 121.250 0.400 1 279 1117 25 GLU H H 7.660 0.020 1 280 1117 25 GLU HA H 4.276 0.020 1 281 1117 25 GLU HB2 H 2.250 0.020 2 282 1117 25 GLU HB3 H 2.250 0.020 2 283 1117 25 GLU HG2 H 2.037 0.020 2 284 1117 25 GLU HG3 H 2.353 0.020 2 285 1117 25 GLU C C 177.169 0.400 1 286 1117 25 GLU CA C 58.898 0.400 1 287 1117 25 GLU CB C 30.277 0.400 1 288 1117 25 GLU CG C 37.309 0.400 1 289 1117 25 GLU N N 116.755 0.400 1 290 1118 26 SER H H 7.659 0.020 1 291 1118 26 SER HA H 4.169 0.020 1 292 1118 26 SER HB2 H 3.738 0.020 2 293 1118 26 SER HB3 H 3.818 0.020 2 294 1118 26 SER C C 177.177 0.400 1 295 1118 26 SER CA C 62.553 0.400 1 296 1118 26 SER CB C 62.632 0.400 1 297 1118 26 SER N N 114.369 0.400 1 298 1119 27 LEU H H 8.486 0.020 1 299 1119 27 LEU HA H 4.039 0.020 1 300 1119 27 LEU HB2 H 1.787 0.020 2 301 1119 27 LEU HB3 H 1.417 0.020 2 302 1119 27 LEU HG H 0.689 0.020 1 303 1119 27 LEU HD1 H 0.852 0.020 2 304 1119 27 LEU C C 180.394 0.400 1 305 1119 27 LEU CA C 58.379 0.400 1 306 1119 27 LEU CB C 40.787 0.400 1 307 1119 27 LEU CG C 25.848 0.400 1 308 1119 27 LEU CD1 C 21.773 0.400 1 309 1119 27 LEU N N 123.247 0.400 1 310 1120 28 GLU H H 8.410 0.020 1 311 1120 28 GLU HA H 4.069 0.020 1 312 1120 28 GLU HB2 H 2.296 0.020 2 313 1120 28 GLU HB3 H 2.026 0.020 2 314 1120 28 GLU HG2 H 2.886 0.020 2 315 1120 28 GLU HG3 H 2.341 0.020 2 316 1120 28 GLU C C 180.268 0.400 1 317 1120 28 GLU CA C 59.795 0.400 1 318 1120 28 GLU CB C 29.567 0.400 1 319 1120 28 GLU CG C 38.477 0.400 1 320 1120 28 GLU N N 117.672 0.400 1 321 1121 29 LEU H H 8.323 0.020 1 322 1121 29 LEU HA H 3.865 0.020 1 323 1121 29 LEU HB2 H 1.085 0.020 2 324 1121 29 LEU HB3 H 1.741 0.020 2 325 1121 29 LEU HG H 1.749 0.020 1 326 1121 29 LEU HD1 H 0.447 0.020 2 327 1121 29 LEU HD2 H 0.496 0.020 2 328 1121 29 LEU C C 179.058 0.400 1 329 1121 29 LEU CA C 57.093 0.400 1 330 1121 29 LEU CB C 41.526 0.400 1 331 1121 29 LEU CG C 27.031 0.400 1 332 1121 29 LEU CD1 C 23.424 0.400 1 333 1121 29 LEU CD2 C 27.068 0.400 1 334 1121 29 LEU N N 119.445 0.400 1 335 1122 30 MET H H 7.662 0.020 1 336 1122 30 MET HA H 4.002 0.020 1 337 1122 30 MET HB2 H 2.705 0.020 2 338 1122 30 MET HB3 H 2.515 0.020 2 339 1122 30 MET HG2 H 2.194 0.020 2 340 1122 30 MET HG3 H 2.114 0.020 2 341 1122 30 MET HE H 2.024 0.020 1 342 1122 30 MET C C 178.224 0.400 1 343 1122 30 MET CA C 58.894 0.400 1 344 1122 30 MET CB C 31.981 0.400 1 345 1122 30 MET CG C 32.264 0.400 1 346 1122 30 MET CE C 17.346 0.400 1 347 1122 30 MET N N 118.025 0.400 1 348 1123 31 GLU H H 7.235 0.020 1 349 1123 31 GLU HA H 4.157 0.020 1 350 1123 31 GLU HB2 H 2.130 0.020 2 351 1123 31 GLU HB3 H 2.130 0.020 2 352 1123 31 GLU HG2 H 2.390 0.020 2 353 1123 31 GLU HG3 H 2.390 0.020 2 354 1123 31 GLU C C 176.954 0.400 1 355 1123 31 GLU CA C 57.957 0.400 1 356 1123 31 GLU CB C 29.809 0.400 1 357 1123 31 GLU CG C 36.187 0.400 1 358 1123 31 GLU N N 115.784 0.400 1 359 1124 32 LEU H H 7.964 0.020 1 360 1124 32 LEU HA H 4.308 0.020 1 361 1124 32 LEU HB2 H 1.905 0.020 2 362 1124 32 LEU HB3 H 1.905 0.020 2 363 1124 32 LEU HG H 1.667 0.020 1 364 1124 32 LEU HD1 H 0.895 0.020 2 365 1124 32 LEU HD2 H 0.895 0.020 2 366 1124 32 LEU C C 177.537 0.400 1 367 1124 32 LEU CA C 54.748 0.400 1 368 1124 32 LEU CB C 42.099 0.400 1 369 1124 32 LEU CG C 27.458 0.400 1 370 1124 32 LEU CD1 C 25.800 0.400 1 371 1124 32 LEU CD2 C 22.551 0.400 1 372 1124 32 LEU N N 117.445 0.400 1 373 1125 33 VAL H H 7.375 0.020 1 374 1125 33 VAL HA H 3.932 0.020 1 375 1125 33 VAL HB H 2.038 0.020 1 376 1125 33 VAL HG1 H 0.958 0.020 2 377 1125 33 VAL HG2 H 0.958 0.020 2 378 1125 33 VAL C C 174.154 0.400 1 379 1125 33 VAL CA C 61.225 0.400 1 380 1125 33 VAL CB C 32.131 0.400 1 381 1125 33 VAL N N 122.935 0.400 1 382 1126 34 PRO HA H 4.393 0.020 1 383 1126 34 PRO HB2 H 1.917 0.020 2 384 1126 34 PRO HB3 H 2.490 0.020 2 385 1126 34 PRO HG2 H 2.195 0.020 2 386 1126 34 PRO HG3 H 2.105 0.020 2 387 1126 34 PRO HD2 H 4.219 0.020 2 388 1126 34 PRO HD3 H 3.564 0.020 2 389 1126 34 PRO C C 177.633 0.400 1 390 1126 34 PRO CA C 63.358 0.400 1 391 1126 34 PRO CB C 33.330 0.400 1 392 1126 34 PRO CG C 27.975 0.400 1 393 1126 34 PRO CD C 51.276 0.400 1 394 1127 35 GLN H H 8.993 0.020 1 395 1127 35 GLN HA H 3.959 0.020 1 396 1127 35 GLN HB2 H 2.279 0.020 2 397 1127 35 GLN HB3 H 2.141 0.020 2 398 1127 35 GLN C C 174.012 0.400 1 399 1127 35 GLN CA C 60.076 0.400 1 400 1127 35 GLN CB C 26.139 0.400 1 401 1127 35 GLN N N 125.241 0.400 1 402 1128 36 PRO HA H 4.427 0.020 1 403 1128 36 PRO HB2 H 2.415 0.020 2 404 1128 36 PRO HB3 H 1.764 0.020 2 405 1128 36 PRO HG2 H 2.016 0.020 2 406 1128 36 PRO HG3 H 2.016 0.020 2 407 1128 36 PRO HD2 H 3.821 0.020 2 408 1128 36 PRO HD3 H 3.515 0.020 2 409 1128 36 PRO C C 179.719 0.400 1 410 1128 36 PRO CA C 66.248 0.400 1 411 1128 36 PRO CB C 31.154 0.400 1 412 1128 36 PRO CG C 28.668 0.400 1 413 1128 36 PRO CD C 50.402 0.400 1 414 1129 37 LEU H H 7.220 0.020 1 415 1129 37 LEU HA H 4.162 0.020 1 416 1129 37 LEU HB2 H 1.204 0.020 2 417 1129 37 LEU HB3 H 1.732 0.020 2 418 1129 37 LEU HG H 1.571 0.020 1 419 1129 37 LEU HD1 H 0.871 0.020 2 420 1129 37 LEU HD2 H 0.761 0.020 2 421 1129 37 LEU C C 178.871 0.400 1 422 1129 37 LEU CA C 57.174 0.400 1 423 1129 37 LEU CB C 41.264 0.400 1 424 1129 37 LEU CG C 27.511 0.400 1 425 1129 37 LEU CD1 C 24.993 0.400 1 426 1129 37 LEU CD2 C 23.290 0.400 1 427 1129 37 LEU N N 116.655 0.400 1 428 1130 38 VAL H H 7.465 0.020 1 429 1130 38 VAL HA H 3.471 0.020 1 430 1130 38 VAL HB H 2.220 0.020 1 431 1130 38 VAL HG1 H 0.936 0.020 2 432 1130 38 VAL HG2 H 0.936 0.020 2 433 1130 38 VAL C C 178.353 0.400 1 434 1130 38 VAL CA C 67.124 0.400 1 435 1130 38 VAL CB C 31.438 0.400 1 436 1130 38 VAL CG1 C 22.511 0.400 1 437 1130 38 VAL CG2 C 21.028 0.400 1 438 1130 38 VAL N N 121.976 0.400 1 439 1131 39 ASP H H 8.605 0.020 1 440 1131 39 ASP HA H 4.365 0.020 1 441 1131 39 ASP HB2 H 2.672 0.020 2 442 1131 39 ASP HB3 H 2.672 0.020 2 443 1131 39 ASP C C 179.398 0.400 1 444 1131 39 ASP CA C 57.796 0.400 1 445 1131 39 ASP CB C 40.198 0.400 1 446 1131 39 ASP N N 118.845 0.400 1 447 1132 40 SER H H 7.817 0.020 1 448 1132 40 SER HA H 4.239 0.020 1 449 1132 40 SER HB2 H 3.980 0.020 2 450 1132 40 SER HB3 H 4.028 0.020 2 451 1132 40 SER C C 179.406 0.400 1 452 1132 40 SER CA C 61.726 0.400 1 453 1132 40 SER CB C 62.897 0.400 1 454 1132 40 SER N N 115.275 0.400 1 455 1133 41 TYR H H 8.247 0.020 1 456 1133 41 TYR HA H 4.175 0.020 1 457 1133 41 TYR HB2 H 3.291 0.020 2 458 1133 41 TYR HB3 H 3.059 0.020 2 459 1133 41 TYR HD1 H 7.085 0.020 1 460 1133 41 TYR HD2 H 7.085 0.020 1 461 1133 41 TYR HE1 H 6.801 0.020 1 462 1133 41 TYR HE2 H 6.801 0.020 1 463 1133 41 TYR C C 178.220 0.400 1 464 1133 41 TYR CA C 61.719 0.400 1 465 1133 41 TYR CB C 38.434 0.400 1 466 1133 41 TYR CD1 C 133.170 0.400 1 467 1133 41 TYR CE1 C 117.977 0.400 1 468 1133 41 TYR N N 124.425 0.400 1 469 1134 42 ARG H H 8.731 0.020 1 470 1134 42 ARG HA H 3.734 0.020 1 471 1134 42 ARG HB2 H 1.791 0.020 2 472 1134 42 ARG HB3 H 2.157 0.020 2 473 1134 42 ARG HD2 H 3.185 0.020 2 474 1134 42 ARG HD3 H 3.185 0.020 2 475 1134 42 ARG HE H 7.364 0.020 1 476 1134 42 ARG C C 179.611 0.400 1 477 1134 42 ARG CA C 60.458 0.400 1 478 1134 42 ARG CB C 29.662 0.400 1 479 1134 42 ARG CD C 43.719 0.400 1 480 1134 42 ARG N N 119.750 0.400 1 481 1134 42 ARG NE N 135.124 0.400 1 482 1135 43 GLN H H 8.063 0.020 1 483 1135 43 GLN HA H 4.078 0.020 1 484 1135 43 GLN HB2 H 2.085 0.020 2 485 1135 43 GLN HB3 H 1.918 0.020 2 486 1135 43 GLN HG2 H 2.531 0.020 2 487 1135 43 GLN HG3 H 2.410 0.020 2 488 1135 43 GLN HE21 H 7.285 0.020 2 489 1135 43 GLN HE22 H 6.765 0.020 2 490 1135 43 GLN C C 178.594 0.400 1 491 1135 43 GLN CA C 58.813 0.400 1 492 1135 43 GLN CB C 28.394 0.400 1 493 1135 43 GLN CG C 34.014 0.400 1 494 1135 43 GLN N N 119.346 0.400 1 495 1135 43 GLN NE2 N 112.038 0.400 1 496 1136 44 GLN H H 7.900 0.020 1 497 1136 44 GLN HA H 4.048 0.020 1 498 1136 44 GLN HB2 H 2.142 0.020 2 499 1136 44 GLN HB3 H 2.142 0.020 2 500 1136 44 GLN HG2 H 2.512 0.020 2 501 1136 44 GLN HG3 H 2.512 0.020 2 502 1136 44 GLN C C 178.597 0.400 1 503 1136 44 GLN CA C 58.210 0.400 1 504 1136 44 GLN CB C 28.396 0.400 1 505 1136 44 GLN CG C 34.152 0.400 1 506 1136 44 GLN N N 118.513 0.400 1 507 1137 45 GLN H H 7.935 0.020 1 508 1137 45 GLN HA H 3.869 0.020 1 509 1137 45 GLN HB2 H 2.002 0.020 2 510 1137 45 GLN HB3 H 2.002 0.020 2 511 1137 45 GLN HG2 H 2.000 0.020 2 512 1137 45 GLN HG3 H 2.000 0.020 2 513 1137 45 GLN C C 178.363 0.400 1 514 1137 45 GLN CA C 57.369 0.400 1 515 1137 45 GLN CB C 28.361 0.400 1 516 1137 45 GLN CG C 33.617 0.400 1 517 1137 45 GLN N N 117.373 0.400 1 518 1138 46 GLN H H 7.709 0.020 1 519 1138 46 GLN HA H 4.142 0.020 1 520 1138 46 GLN HB2 H 2.161 0.020 2 521 1138 46 GLN HB3 H 2.161 0.020 2 522 1138 46 GLN HG2 H 2.478 0.020 2 523 1138 46 GLN HG3 H 2.478 0.020 2 524 1138 46 GLN C C 177.503 0.400 1 525 1138 46 GLN CA C 57.852 0.400 1 526 1138 46 GLN CB C 28.516 0.400 1 527 1138 46 GLN CG C 34.000 0.400 1 528 1138 46 GLN N N 118.243 0.400 1 529 1139 47 LEU H H 7.484 0.020 1 530 1139 47 LEU HA H 4.268 0.020 1 531 1139 47 LEU HB2 H 1.780 0.020 2 532 1139 47 LEU HB3 H 1.647 0.020 2 533 1139 47 LEU HG H 1.750 0.020 1 534 1139 47 LEU HD1 H 0.924 0.020 2 535 1139 47 LEU HD2 H 0.924 0.020 2 536 1139 47 LEU C C 177.835 0.400 1 537 1139 47 LEU CA C 56.031 0.400 1 538 1139 47 LEU CB C 42.078 0.400 1 539 1139 47 LEU CG C 26.962 0.400 1 540 1139 47 LEU CD1 C 25.189 0.400 1 541 1139 47 LEU CD2 C 23.004 0.400 1 542 1139 47 LEU N N 118.586 0.400 1 543 1140 48 LEU H H 7.532 0.020 1 544 1140 48 LEU HA H 4.341 0.020 1 545 1140 48 LEU HB2 H 1.755 0.020 2 546 1140 48 LEU HB3 H 1.599 0.020 2 547 1140 48 LEU HG H 1.731 0.020 1 548 1140 48 LEU HD1 H 0.840 0.020 2 549 1140 48 LEU HD2 H 0.840 0.020 2 550 1140 48 LEU C C 177.207 0.400 1 551 1140 48 LEU CA C 55.149 0.400 1 552 1140 48 LEU CB C 42.380 0.400 1 553 1140 48 LEU CG C 26.624 0.400 1 554 1140 48 LEU CD1 C 25.299 0.400 1 555 1140 48 LEU CD2 C 22.837 0.400 1 556 1140 48 LEU N N 118.753 0.400 1 557 1141 49 GLN H H 7.675 0.020 1 558 1141 49 GLN HA H 4.359 0.020 1 559 1141 49 GLN HB2 H 2.213 0.020 2 560 1141 49 GLN HB3 H 2.051 0.020 2 561 1141 49 GLN HG2 H 2.457 0.020 2 562 1141 49 GLN HG3 H 2.457 0.020 2 563 1141 49 GLN C C 174.910 0.400 1 564 1141 49 GLN CA C 56.161 0.400 1 565 1141 49 GLN CB C 29.534 0.400 1 566 1141 49 GLN CG C 34.003 0.400 1 567 1141 49 GLN N N 119.878 0.400 1 568 1142 50 ARG H H 7.955 0.020 1 569 1142 50 ARG HA H 4.140 0.020 1 570 1142 50 ARG HB2 H 1.590 0.020 2 571 1142 50 ARG HB3 H 1.756 0.020 2 572 1142 50 ARG HD2 H 2.888 0.020 2 573 1142 50 ARG HD3 H 2.861 0.020 2 574 1142 50 ARG C C 180.825 0.400 1 575 1142 50 ARG CA C 57.568 0.400 1 576 1142 50 ARG CB C 31.701 0.400 1 577 1142 50 ARG CD C 43.483 0.400 1 578 1142 50 ARG N N 127.959 0.400 1 stop_ save_