data_12018 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone resonance assignments of the YAP-binding domain of transcription factor TEAD4 of mouse ; _BMRB_accession_number 12018 _BMRB_flat_file_name bmr12018.str _Entry_type original _Submission_date 2018-02-27 _Accession_date 2018-04-19 _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 Li Yan . . 2 Ng 'Elizabeth Yihui' . . 3 Kang CongBao . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 141 "13C chemical shifts" 277 "15N chemical shifts" 141 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-07-17 original BMRB . stop_ _Original_release_date 2018-04-19 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural and ligand-binding analysis of the YAP-binding domain of transcription factor TEAD4 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29760238 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Li Yan . . 2 Liu Shuang . . 3 Ng 'Elizabeth Yihui' . . 4 Li Rong . . 5 Poulsen Anders . . 6 Hill Jeffrey . . 7 Pobbati 'Ajaybabu V.' . . 8 Hung 'Alvin W.' . . 9 Hong Wanjin . . 10 Keller 'Thomas H.' . . 11 Kang CongBao . . stop_ _Journal_abbreviation 'Biochem. J.' _Journal_name_full 'The Biochemical journal' _Journal_volume 475 _Journal_issue 12 _Journal_ISSN 1470-8728 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2043 _Page_last 2055 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'YAP-binding domain of transcription factor TEAD4' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'YAP-binding domain of transcription factor TEAD4' $YAP-binding_domain_of_transcription_factor_TEAD4 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_YAP-binding_domain_of_transcription_factor_TEAD4 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common YAP-binding_domain_of_transcription_factor_TEAD4 _Molecular_mass . _Mol_thiol_state unknown _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 239 _Mol_residue_sequence ; MGSSHHHHHHSSGLVPRGSH MRSIASSKLWMLEFSAFLER QQDPDTYNKHLFVHISQSSP SYSDPYLETVDIRQIYDKFP EKKGGLKELFERGPSNAFFL VKFWADLNTNIDDEGSAFYG VSSQYESPENMIITCSTKVC SFGKQVVEKVETEYARYENG HYLYRIHRSPLCEYMINFIH KLKHLPEKYMMNSVLENFTI LQVVTNRDTQETLLCIAYVF EVSASEHGAQHHIYRLVKE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 GLY 3 3 SER 4 4 SER 5 5 HIS 6 6 HIS 7 7 HIS 8 8 HIS 9 9 HIS 10 10 HIS 11 11 SER 12 12 SER 13 13 GLY 14 14 LEU 15 15 VAL 16 16 PRO 17 17 ARG 18 18 GLY 19 19 SER 20 20 HIS 21 21 MET 22 22 ARG 23 23 SER 24 24 ILE 25 25 ALA 26 26 SER 27 27 SER 28 28 LYS 29 29 LEU 30 30 TRP 31 31 MET 32 32 LEU 33 33 GLU 34 34 PHE 35 35 SER 36 36 ALA 37 37 PHE 38 38 LEU 39 39 GLU 40 40 ARG 41 41 GLN 42 42 GLN 43 43 ASP 44 44 PRO 45 45 ASP 46 46 THR 47 47 TYR 48 48 ASN 49 49 LYS 50 50 HIS 51 51 LEU 52 52 PHE 53 53 VAL 54 54 HIS 55 55 ILE 56 56 SER 57 57 GLN 58 58 SER 59 59 SER 60 60 PRO 61 61 SER 62 62 TYR 63 63 SER 64 64 ASP 65 65 PRO 66 66 TYR 67 67 LEU 68 68 GLU 69 69 THR 70 70 VAL 71 71 ASP 72 72 ILE 73 73 ARG 74 74 GLN 75 75 ILE 76 76 TYR 77 77 ASP 78 78 LYS 79 79 PHE 80 80 PRO 81 81 GLU 82 82 LYS 83 83 LYS 84 84 GLY 85 85 GLY 86 86 LEU 87 87 LYS 88 88 GLU 89 89 LEU 90 90 PHE 91 91 GLU 92 92 ARG 93 93 GLY 94 94 PRO 95 95 SER 96 96 ASN 97 97 ALA 98 98 PHE 99 99 PHE 100 100 LEU 101 101 VAL 102 102 LYS 103 103 PHE 104 104 TRP 105 105 ALA 106 106 ASP 107 107 LEU 108 108 ASN 109 109 THR 110 110 ASN 111 111 ILE 112 112 ASP 113 113 ASP 114 114 GLU 115 115 GLY 116 116 SER 117 117 ALA 118 118 PHE 119 119 TYR 120 120 GLY 121 121 VAL 122 122 SER 123 123 SER 124 124 GLN 125 125 TYR 126 126 GLU 127 127 SER 128 128 PRO 129 129 GLU 130 130 ASN 131 131 MET 132 132 ILE 133 133 ILE 134 134 THR 135 135 CYS 136 136 SER 137 137 THR 138 138 LYS 139 139 VAL 140 140 CYS 141 141 SER 142 142 PHE 143 143 GLY 144 144 LYS 145 145 GLN 146 146 VAL 147 147 VAL 148 148 GLU 149 149 LYS 150 150 VAL 151 151 GLU 152 152 THR 153 153 GLU 154 154 TYR 155 155 ALA 156 156 ARG 157 157 TYR 158 158 GLU 159 159 ASN 160 160 GLY 161 161 HIS 162 162 TYR 163 163 LEU 164 164 TYR 165 165 ARG 166 166 ILE 167 167 HIS 168 168 ARG 169 169 SER 170 170 PRO 171 171 LEU 172 172 CYS 173 173 GLU 174 174 TYR 175 175 MET 176 176 ILE 177 177 ASN 178 178 PHE 179 179 ILE 180 180 HIS 181 181 LYS 182 182 LEU 183 183 LYS 184 184 HIS 185 185 LEU 186 186 PRO 187 187 GLU 188 188 LYS 189 189 TYR 190 190 MET 191 191 MET 192 192 ASN 193 193 SER 194 194 VAL 195 195 LEU 196 196 GLU 197 197 ASN 198 198 PHE 199 199 THR 200 200 ILE 201 201 LEU 202 202 GLN 203 203 VAL 204 204 VAL 205 205 THR 206 206 ASN 207 207 ARG 208 208 ASP 209 209 THR 210 210 GLN 211 211 GLU 212 212 THR 213 213 LEU 214 214 LEU 215 215 CYS 216 216 ILE 217 217 ALA 218 218 TYR 219 219 VAL 220 220 PHE 221 221 GLU 222 222 VAL 223 223 SER 224 224 ALA 225 225 SER 226 226 GLU 227 227 HIS 228 228 GLY 229 229 ALA 230 230 GLN 231 231 HIS 232 232 HIS 233 233 ILE 234 234 TYR 235 235 ARG 236 236 LEU 237 237 VAL 238 238 LYS 239 239 GLU 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 $YAP-binding_domain_of_transcription_factor_TEAD4 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $YAP-binding_domain_of_transcription_factor_TEAD4 'recombinant technology' . Escherichia coli . pET15b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '20 mM sodium phosphate, pH 7.4, 150 mM NaCl, 0.5mM EDTA, 1 mM DTT.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $YAP-binding_domain_of_transcription_factor_TEAD4 0.8 mM '[U-13C; U-15N; U-2H]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' EDTA 0.5 mM 'natural abundance' DTT 1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 'Johnson, One Moon Scientific' . . 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 170 . mM pH 7.4 . 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 internal indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal indirect . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 internal 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_TEAD_3JUA _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRPipe stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D HNCA' '3D HNCO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'YAP-binding domain of transcription factor TEAD4' _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 33 33 GLU H H 7.323 0.020 1 2 33 33 GLU CA C 55.212 0.3 1 3 33 33 GLU CB C 34.013 0.3 1 4 33 33 GLU N N 115.712 0.3 1 5 34 34 PHE H H 8.655 0.020 1 6 34 34 PHE CA C 58.828 0.3 1 7 34 34 PHE CB C 42.786 0.3 1 8 34 34 PHE N N 124.295 0.3 1 9 35 35 SER H H 8.778 0.020 1 10 35 35 SER CA C 58.077 0.3 1 11 35 35 SER CB C 66.128 0.3 1 12 35 35 SER N N 122.218 0.3 1 13 36 36 ALA H H 7.985 0.020 1 14 36 36 ALA CA C 50.863 0.3 1 15 36 36 ALA CB C 22.341 0.3 1 16 36 36 ALA N N 122.573 0.3 1 17 37 37 PHE H H 9.049 0.020 1 18 37 37 PHE CA C 55.931 0.3 1 19 37 37 PHE CB C 43.993 0.3 1 20 37 37 PHE N N 120.904 0.3 1 21 38 38 LEU H H 8.775 0.020 1 22 38 38 LEU CA C 53.606 0.3 1 23 38 38 LEU CB C 44.702 0.3 1 24 38 38 LEU N N 121.660 0.3 1 25 39 39 GLU H H 9.921 0.020 1 26 39 39 GLU CA C 54.810 0.3 1 27 39 39 GLU CB C 33.771 0.3 1 28 39 39 GLU N N 128.831 0.3 1 29 40 40 ARG H H 8.821 0.020 1 30 40 40 ARG CA C 55.065 0.3 1 31 40 40 ARG CB C 32.966 0.3 1 32 40 40 ARG N N 125.064 0.3 1 33 41 41 GLN H H 8.491 0.020 1 34 41 41 GLN CA C 55.322 0.3 1 35 41 41 GLN CB C 30.310 0.3 1 36 41 41 GLN N N 124.014 0.3 1 37 42 42 GLN H H 8.624 0.020 1 38 42 42 GLN CA C 54.766 0.3 1 39 42 42 GLN CB C 31.276 0.3 1 40 42 42 GLN N N 124.536 0.3 1 41 43 43 ASP H H 8.154 0.020 1 42 43 43 ASP CA C 54.730 0.3 1 43 43 43 ASP CB C 41.015 0.3 1 44 43 43 ASP N N 120.955 0.3 1 45 44 44 PRO CA C 65.784 0.3 1 46 44 44 PRO CB C 31.598 0.3 1 47 45 45 ASP H H 8.235 0.020 1 48 45 45 ASP CA C 54.733 0.3 1 49 45 45 ASP CB C 42.545 0.3 1 50 45 45 ASP N N 114.838 0.3 1 51 46 46 THR H H 7.778 0.020 1 52 46 46 THR CA C 62.570 0.3 1 53 46 46 THR CB C 70.234 0.3 1 54 46 46 THR N N 116.503 0.3 1 55 47 47 TYR H H 8.532 0.020 1 56 47 47 TYR CA C 57.298 0.3 1 57 47 47 TYR CB C 40.049 0.3 1 58 47 47 TYR N N 125.491 0.3 1 59 48 48 ASN H H 8.570 0.020 1 60 48 48 ASN CA C 52.940 0.3 1 61 48 48 ASN CB C 41.418 0.3 1 62 48 48 ASN N N 122.292 0.3 1 63 49 49 LYS H H 8.808 0.020 1 64 49 49 LYS CA C 55.811 0.3 1 65 49 49 LYS CB C 34.540 0.3 1 66 49 49 LYS N N 125.080 0.3 1 67 50 50 HIS H H 9.030 0.020 1 68 50 50 HIS CA C 55.862 0.3 1 69 50 50 HIS CB C 33.139 0.3 1 70 50 50 HIS N N 127.105 0.3 1 71 51 51 LEU H H 8.127 0.020 1 72 51 51 LEU CA C 53.317 0.3 1 73 51 51 LEU CB C 40.693 0.3 1 74 51 51 LEU N N 127.355 0.3 1 75 52 52 PHE H H 8.887 0.020 1 76 52 52 PHE CA C 61.013 0.3 1 77 52 52 PHE CB C 41.418 0.3 1 78 52 52 PHE N N 122.820 0.3 1 79 53 53 VAL H H 7.435 0.020 1 80 53 53 VAL CA C 59.045 0.3 1 81 53 53 VAL CB C 35.300 0.3 1 82 53 53 VAL N N 104.230 0.3 1 83 66 66 TYR H H 7.287 0.020 1 84 66 66 TYR CA C 61.419 0.3 1 85 66 66 TYR N N 117.683 0.3 1 86 67 67 LEU H H 8.342 0.020 1 87 67 67 LEU CA C 54.990 0.3 1 88 67 67 LEU N N 125.756 0.3 1 89 68 68 GLU H H 9.113 0.020 1 90 68 68 GLU CA C 56.845 0.3 1 91 68 68 GLU CB C 31.356 0.3 1 92 68 68 GLU N N 124.182 0.3 1 93 69 69 THR H H 8.302 0.020 1 94 69 69 THR CA C 59.806 0.3 1 95 69 69 THR CB C 71.602 0.3 1 96 69 69 THR N N 110.750 0.3 1 97 70 70 VAL H H 8.560 0.020 1 98 70 70 VAL CA C 61.072 0.3 1 99 70 70 VAL CB C 35.876 0.3 1 100 70 70 VAL N N 121.483 0.3 1 101 71 71 ASP H H 8.167 0.020 1 102 71 71 ASP CA C 53.328 0.3 1 103 71 71 ASP CB C 41.981 0.3 1 104 71 71 ASP N N 127.144 0.3 1 105 72 72 ILE H H 9.018 0.020 1 106 72 72 ILE CA C 63.446 0.3 1 107 72 72 ILE CB C 38.440 0.3 1 108 72 72 ILE N N 129.816 0.3 1 109 73 73 ARG H H 8.363 0.020 1 110 73 73 ARG CA C 58.202 0.3 1 111 73 73 ARG CB C 28.861 0.3 1 112 73 73 ARG N N 120.990 0.3 1 113 74 74 GLN H H 8.052 0.020 1 114 74 74 GLN CA C 57.198 0.3 1 115 74 74 GLN CB C 28.700 0.3 1 116 74 74 GLN N N 115.440 0.3 1 117 75 75 ILE H H 7.549 0.020 1 118 75 75 ILE CA C 60.281 0.3 1 119 75 75 ILE CB C 39.083 0.3 1 120 75 75 ILE N N 111.072 0.3 1 121 76 76 TYR H H 7.273 0.020 1 122 76 76 TYR CA C 59.089 0.3 1 123 76 76 TYR CB C 37.071 0.3 1 124 76 76 TYR N N 121.224 0.3 1 125 77 77 ASP H H 8.600 0.020 1 126 77 77 ASP CA C 55.879 0.3 1 127 77 77 ASP CB C 39.727 0.3 1 128 77 77 ASP N N 115.470 0.3 1 129 78 78 LYS H H 7.753 0.020 1 130 78 78 LYS CA C 55.932 0.3 1 131 78 78 LYS CB C 32.322 0.3 1 132 78 78 LYS N N 117.971 0.3 1 133 83 83 LYS CA C 57.768 0.3 1 134 84 84 GLY H H 9.317 0.020 1 135 84 84 GLY CA C 45.664 0.3 1 136 84 84 GLY N N 114.952 0.3 1 137 85 85 GLY H H 7.862 0.020 1 138 85 85 GLY CA C 44.149 0.3 1 139 85 85 GLY N N 106.153 0.3 1 140 86 86 LEU H H 7.803 0.020 1 141 86 86 LEU CA C 58.598 0.3 1 142 86 86 LEU CB C 42.142 0.3 1 143 86 86 LEU N N 118.618 0.3 1 144 87 87 LYS H H 8.484 0.020 1 145 87 87 LYS CA C 60.459 0.3 1 146 87 87 LYS CB C 31.806 0.3 1 147 87 87 LYS N N 119.246 0.3 1 148 88 88 GLU H H 7.959 0.020 1 149 88 88 GLU CA C 59.632 0.3 1 150 88 88 GLU CB C 29.183 0.3 1 151 88 88 GLU N N 119.056 0.3 1 152 89 89 LEU H H 8.347 0.020 1 153 89 89 LEU CA C 58.217 0.3 1 154 89 89 LEU CB C 42.062 0.3 1 155 89 89 LEU N N 119.268 0.3 1 156 90 90 PHE H H 9.048 0.020 1 157 90 90 PHE CA C 61.600 0.3 1 158 90 90 PHE CB C 38.520 0.3 1 159 90 90 PHE N N 123.034 0.3 1 160 91 91 GLU H H 8.052 0.020 1 161 91 91 GLU CA C 58.882 0.3 1 162 91 91 GLU CB C 28.781 0.3 1 163 91 91 GLU N N 117.756 0.3 1 164 92 92 ARG H H 7.479 0.020 1 165 92 92 ARG CA C 58.280 0.3 1 166 92 92 ARG CB C 30.551 0.3 1 167 92 92 ARG N N 119.104 0.3 1 168 93 93 GLY H H 7.493 0.020 1 169 93 93 GLY CA C 44.458 0.3 1 170 93 93 GLY N N 106.153 0.3 1 171 97 97 ALA H H 7.504 0.020 1 172 97 97 ALA CA C 51.721 0.3 1 173 97 97 ALA CB C 19.444 0.3 1 174 97 97 ALA N N 118.881 0.3 1 175 98 98 PHE H H 7.365 0.020 1 176 98 98 PHE CA C 58.555 0.3 1 177 98 98 PHE CB C 42.062 0.3 1 178 98 98 PHE N N 117.579 0.3 1 179 104 104 TRP H H 9.143 0.020 1 180 104 104 TRP CA C 58.161 0.3 1 181 104 104 TRP CB C 29.988 0.3 1 182 104 104 TRP N N 123.769 0.3 1 183 105 105 ALA H H 9.113 0.020 1 184 105 105 ALA CA C 51.713 0.3 1 185 105 105 ALA CB C 20.651 0.3 1 186 105 105 ALA N N 123.924 0.3 1 187 106 106 ASP H H 9.468 0.020 1 188 106 106 ASP CA C 53.277 0.3 1 189 106 106 ASP CB C 41.096 0.3 1 190 106 106 ASP N N 122.459 0.3 1 191 107 107 LEU H H 9.034 0.020 1 192 107 107 LEU CA C 53.328 0.3 1 193 107 107 LEU CB C 40.961 0.3 1 194 107 107 LEU N N 128.064 0.3 1 195 108 108 ASN H H 9.154 0.020 1 196 108 108 ASN CA C 53.189 0.3 1 197 108 108 ASN CB C 36.669 0.3 1 198 108 108 ASN N N 123.068 0.3 1 199 109 109 THR H H 7.767 0.020 1 200 109 109 THR CA C 60.154 0.3 1 201 109 109 THR CB C 68.624 0.3 1 202 109 109 THR N N 117.173 0.3 1 203 116 116 SER H H 8.846 0.020 1 204 116 116 SER CA C 58.471 0.3 1 205 116 116 SER CB C 63.718 0.3 1 206 116 116 SER N N 117.686 0.3 1 207 117 117 ALA H H 8.167 0.020 1 208 117 117 ALA CA C 52.019 0.3 1 209 117 117 ALA CB C 21.113 0.3 1 210 117 117 ALA N N 126.686 0.3 1 211 118 118 PHE H H 8.857 0.020 1 212 118 118 PHE CA C 57.564 0.3 1 213 118 118 PHE CB C 41.901 0.3 1 214 118 118 PHE N N 122.670 0.3 1 215 119 119 TYR H H 8.123 0.020 1 216 119 119 TYR CA C 55.953 0.3 1 217 119 119 TYR CB C 39.486 0.3 1 218 119 119 TYR N N 128.625 0.3 1 219 120 120 GLY H H 8.050 0.020 1 220 120 120 GLY CA C 45.040 0.3 1 221 120 120 GLY N N 110.791 0.3 1 222 121 121 VAL H H 8.717 0.020 1 223 121 121 VAL CA C 59.403 0.3 1 224 121 121 VAL CB C 35.220 0.3 1 225 121 121 VAL N N 116.907 0.3 1 226 122 122 SER H H 8.850 0.020 1 227 122 122 SER CA C 56.655 0.3 1 228 122 122 SER CB C 67.497 0.3 1 229 122 122 SER N N 121.110 0.3 1 230 123 123 SER H H 9.375 0.020 1 231 123 123 SER CA C 57.859 0.3 1 232 123 123 SER CB C 66.320 0.3 1 233 123 123 SER N N 116.552 0.3 1 234 124 124 GLN H H 8.284 0.020 1 235 124 124 GLN CA C 55.215 0.3 1 236 124 124 GLN CB C 33.702 0.3 1 237 124 124 GLN N N 119.071 0.3 1 238 125 125 TYR H H 9.439 0.020 1 239 125 125 TYR CA C 56.030 0.3 1 240 125 125 TYR CB C 42.545 0.3 1 241 125 125 TYR N N 122.719 0.3 1 242 126 126 GLU H H 9.039 0.020 1 243 126 126 GLU CA C 54.871 0.3 1 244 126 126 GLU CB C 34.415 0.3 1 245 126 126 GLU N N 122.371 0.3 1 246 127 127 SER H H 9.271 0.020 1 247 127 127 SER CA C 55.187 0.3 1 248 127 127 SER CB C 67.819 0.3 1 249 127 127 SER N N 117.739 0.3 1 250 128 128 PRO CA C 63.971 0.3 1 251 128 128 PRO CB C 32.700 0.3 1 252 129 129 GLU H H 8.356 0.020 1 253 129 129 GLU CA C 54.667 0.3 1 254 129 129 GLU CB C 32.725 0.3 1 255 129 129 GLU N N 116.420 0.3 1 256 130 130 ASN H H 8.202 0.020 1 257 130 130 ASN CA C 53.119 0.3 1 258 130 130 ASN CB C 37.796 0.3 1 259 130 130 ASN N N 121.694 0.3 1 260 131 131 MET H H 7.888 0.020 1 261 131 131 MET CA C 54.274 0.3 1 262 131 131 MET CB C 36.588 0.3 1 263 131 131 MET N N 125.315 0.3 1 264 132 132 ILE H H 8.771 0.020 1 265 132 132 ILE CA C 62.327 0.3 1 266 132 132 ILE CB C 38.601 0.3 1 267 132 132 ILE N N 124.261 0.3 1 268 133 133 ILE H H 8.290 0.020 1 269 133 133 ILE CA C 58.816 0.3 1 270 133 133 ILE CB C 40.371 0.3 1 271 133 133 ILE N N 119.285 0.3 1 272 134 134 THR H H 8.926 0.020 1 273 134 134 THR CA C 60.807 0.3 1 274 134 134 THR CB C 70.849 0.3 1 275 134 134 THR N N 117.304 0.3 1 276 135 135 CYS H H 9.722 0.020 1 277 135 135 CYS CA C 57.167 0.3 1 278 135 135 CYS CB C 27.734 0.3 1 279 135 135 CYS N N 127.065 0.3 1 280 136 136 SER H H 9.379 0.020 1 281 136 136 SER CA C 56.932 0.3 1 282 136 136 SER CB C 63.553 0.3 1 283 136 136 SER N N 127.107 0.3 1 284 139 139 VAL H H 8.827 0.020 1 285 139 139 VAL CA C 62.313 0.3 1 286 139 139 VAL CB C 31.759 0.3 1 287 139 139 VAL N N 126.487 0.3 1 288 140 140 CYS H H 8.994 0.020 1 289 140 140 CYS CA C 57.516 0.3 1 290 140 140 CYS CB C 29.987 0.3 1 291 140 140 CYS N N 126.243 0.3 1 292 141 141 SER H H 8.759 0.020 1 293 141 141 SER CA C 55.982 0.3 1 294 141 141 SER CB C 64.760 0.3 1 295 141 141 SER N N 116.608 0.3 1 296 142 142 PHE H H 9.295 0.020 1 297 142 142 PHE CA C 60.316 0.3 1 298 142 142 PHE CB C 35.864 0.3 1 299 142 142 PHE N N 126.616 0.3 1 300 143 143 GLY H H 8.807 0.020 1 301 143 143 GLY CA C 45.257 0.3 1 302 143 143 GLY N N 104.079 0.3 1 303 144 144 LYS H H 7.557 0.020 1 304 144 144 LYS CA C 54.111 0.3 1 305 144 144 LYS CB C 33.771 0.3 1 306 144 144 LYS N N 119.050 0.3 1 307 145 145 GLN H H 8.977 0.020 1 308 145 145 GLN CA C 57.198 0.3 1 309 145 145 GLN CB C 29.344 0.3 1 310 145 145 GLN N N 124.553 0.3 1 311 152 152 THR H H 9.477 0.020 1 312 152 152 THR CA C 62.469 0.3 1 313 152 152 THR CB C 70.304 0.3 1 314 152 152 THR N N 124.162 0.3 1 315 153 153 GLU H H 9.472 0.020 1 316 153 153 GLU CA C 55.027 0.3 1 317 153 153 GLU CB C 34.472 0.3 1 318 153 153 GLU N N 126.405 0.3 1 319 154 154 TYR H H 8.427 0.020 1 320 154 154 TYR CA C 56.796 0.3 1 321 154 154 TYR CB C 40.081 0.3 1 322 154 154 TYR N N 120.150 0.3 1 323 155 155 ALA H H 8.613 0.020 1 324 155 155 ALA CA C 52.526 0.3 1 325 155 155 ALA CB C 20.812 0.3 1 326 155 155 ALA N N 123.979 0.3 1 327 156 156 ARG H H 8.908 0.020 1 328 156 156 ARG CA C 54.742 0.3 1 329 156 156 ARG CB C 31.759 0.3 1 330 156 156 ARG N N 121.269 0.3 1 331 157 157 TYR H H 8.856 0.020 1 332 157 157 TYR CA C 57.355 0.3 1 333 157 157 TYR CB C 38.292 0.3 1 334 157 157 TYR N N 126.969 0.3 1 335 158 158 GLU H H 8.591 0.020 1 336 158 158 GLU CA C 55.745 0.3 1 337 158 158 GLU CB C 32.000 0.3 1 338 158 158 GLU N N 129.152 0.3 1 339 159 159 ASN CA C 54.202 0.3 1 340 159 159 ASN CB C 37.680 0.3 1 341 160 160 GLY H H 6.838 0.020 1 342 160 160 GLY CA C 45.399 0.3 1 343 160 160 GLY N N 102.180 0.3 1 344 161 161 HIS H H 7.310 0.020 1 345 161 161 HIS CA C 54.323 0.3 1 346 161 161 HIS CB C 31.678 0.3 1 347 161 161 HIS N N 118.635 0.3 1 348 162 162 TYR H H 8.794 0.020 1 349 162 162 TYR CA C 58.785 0.3 1 350 162 162 TYR CB C 38.359 0.3 1 351 162 162 TYR N N 119.271 0.3 1 352 163 163 LEU H H 8.988 0.020 1 353 163 163 LEU CA C 53.385 0.3 1 354 163 163 LEU CB C 45.120 0.3 1 355 163 163 LEU N N 124.941 0.3 1 356 164 164 TYR H H 9.082 0.020 1 357 164 164 TYR CA C 55.972 0.3 1 358 164 164 TYR CB C 40.210 0.3 1 359 164 164 TYR N N 121.591 0.3 1 360 166 166 ILE H H 8.851 0.020 1 361 166 166 ILE CA C 61.599 0.3 1 362 166 166 ILE CB C 37.152 0.3 1 363 166 166 ILE N N 127.534 0.3 1 364 167 167 HIS H H 9.039 0.020 1 365 167 167 HIS CA C 56.205 0.3 1 366 167 167 HIS N N 128.201 0.3 1 367 168 168 ARG H H 9.101 0.020 1 368 168 168 ARG CA C 57.465 0.3 1 369 168 168 ARG CB C 33.537 0.3 1 370 168 168 ARG N N 125.280 0.3 1 371 169 169 SER H H 8.880 0.020 1 372 169 169 SER CA C 56.570 0.3 1 373 169 169 SER N N 119.039 0.3 1 374 176 176 ILE H H 7.734 0.020 1 375 176 176 ILE CA C 66.333 0.3 1 376 176 176 ILE CB C 37.432 0.3 1 377 176 176 ILE N N 122.145 0.3 1 378 177 177 ASN H H 8.190 0.020 1 379 177 177 ASN CA C 56.226 0.3 1 380 177 177 ASN CB C 41.820 0.3 1 381 177 177 ASN N N 117.228 0.3 1 382 178 178 PHE H H 8.175 0.020 1 383 178 178 PHE CA C 61.365 0.3 1 384 178 178 PHE N N 123.118 0.3 1 385 179 179 ILE H H 7.937 0.020 1 386 179 179 ILE CA C 66.336 0.3 1 387 179 179 ILE CB C 37.393 0.3 1 388 179 179 ILE N N 119.936 0.3 1 389 180 180 HIS H H 7.822 0.020 1 390 180 180 HIS CA C 60.318 0.3 1 391 180 180 HIS CB C 29.908 0.3 1 392 180 180 HIS N N 118.362 0.3 1 393 181 181 LYS H H 8.113 0.020 1 394 181 181 LYS CA C 59.250 0.3 1 395 181 181 LYS CB C 31.437 0.3 1 396 181 181 LYS N N 119.450 0.3 1 397 182 182 LEU H H 7.861 0.020 1 398 182 182 LEU CA C 57.677 0.3 1 399 182 182 LEU CB C 41.960 0.3 1 400 182 182 LEU N N 120.238 0.3 1 401 183 183 LYS H H 7.759 0.020 1 402 183 183 LYS CA C 57.480 0.3 1 403 183 183 LYS CB C 30.632 0.3 1 404 183 183 LYS N N 114.348 0.3 1 405 184 184 HIS H H 7.366 0.020 1 406 184 184 HIS CA C 56.720 0.3 1 407 184 184 HIS CB C 29.908 0.3 1 408 184 184 HIS N N 115.787 0.3 1 409 185 185 LEU H H 7.505 0.020 1 410 185 185 LEU CA C 53.358 0.3 1 411 185 185 LEU CB C 40.854 0.3 1 412 185 185 LEU N N 123.663 0.3 1 413 190 190 MET H H 6.912 0.020 1 414 190 190 MET CA C 57.999 0.3 1 415 190 190 MET CB C 32.966 0.3 1 416 190 190 MET N N 121.210 0.3 1 417 191 191 MET H H 7.461 0.020 1 418 191 191 MET CA C 59.388 0.3 1 419 191 191 MET CB C 32.725 0.3 1 420 191 191 MET N N 119.162 0.3 1 421 192 192 ASN H H 8.330 0.020 1 422 192 192 ASN CA C 56.307 0.3 1 423 192 192 ASN CB C 37.474 0.3 1 424 192 192 ASN N N 117.369 0.3 1 425 193 193 SER H H 7.872 0.020 1 426 193 193 SER CA C 61.901 0.3 1 427 193 193 SER CB C 62.823 0.3 1 428 193 193 SER N N 116.194 0.3 1 429 194 194 VAL H H 7.506 0.020 1 430 194 194 VAL CA C 66.056 0.3 1 431 194 194 VAL CB C 31.276 0.3 1 432 194 194 VAL N N 122.045 0.3 1 433 195 195 LEU H H 8.234 0.020 1 434 195 195 LEU CA C 57.122 0.3 1 435 195 195 LEU CB C 41.176 0.3 1 436 195 195 LEU N N 119.506 0.3 1 437 196 196 GLU H H 7.923 0.020 1 438 196 196 GLU CA C 59.367 0.3 1 439 196 196 GLU CB C 29.560 0.3 1 440 196 196 GLU N N 120.667 0.3 1 441 197 197 ASN H H 7.137 0.020 1 442 197 197 ASN CA C 52.476 0.3 1 443 197 197 ASN CB C 39.258 0.3 1 444 197 197 ASN N N 113.035 0.3 1 445 198 198 PHE H H 7.807 0.020 1 446 198 198 PHE CA C 57.541 0.3 1 447 198 198 PHE CB C 42.223 0.3 1 448 198 198 PHE N N 126.194 0.3 1 449 199 199 THR H H 8.394 0.020 1 450 199 199 THR CA C 59.217 0.3 1 451 199 199 THR CB C 72.568 0.3 1 452 199 199 THR N N 117.767 0.3 1 453 200 200 ILE H H 8.375 0.020 1 454 200 200 ILE CA C 61.127 0.3 1 455 200 200 ILE CB C 38.440 0.3 1 456 200 200 ILE N N 121.588 0.3 1 457 205 205 THR H H 9.301 0.020 1 458 205 205 THR CA C 59.850 0.3 1 459 205 205 THR CB C 72.085 0.3 1 460 205 205 THR N N 121.341 0.3 1 461 206 206 ASN H H 8.076 0.020 1 462 206 206 ASN CA C 52.756 0.3 1 463 206 206 ASN CB C 39.244 0.3 1 464 206 206 ASN N N 120.819 0.3 1 465 207 207 ARG H H 9.164 0.020 1 466 207 207 ARG CA C 59.448 0.3 1 467 207 207 ARG CB C 30.471 0.3 1 468 207 207 ARG N N 130.086 0.3 1 469 208 208 ASP H H 7.962 0.020 1 470 208 208 ASP CA C 56.948 0.3 1 471 208 208 ASP CB C 41.820 0.3 1 472 208 208 ASP N N 114.556 0.3 1 473 209 209 THR H H 7.277 0.020 1 474 209 209 THR CA C 61.670 0.3 1 475 209 209 THR CB C 70.475 0.3 1 476 209 209 THR N N 107.841 0.3 1 477 210 210 GLN H H 8.532 0.020 1 478 210 210 GLN CA C 57.796 0.3 1 479 210 210 GLN CB C 25.942 0.3 1 480 210 210 GLN N N 115.541 0.3 1 481 211 211 GLU H H 7.785 0.020 1 482 211 211 GLU CA C 56.725 0.3 1 483 211 211 GLU CB C 30.733 0.3 1 484 211 211 GLU N N 121.166 0.3 1 485 212 212 THR H H 9.148 0.020 1 486 212 212 THR CA C 63.916 0.3 1 487 212 212 THR CB C 67.980 0.3 1 488 212 212 THR N N 124.561 0.3 1 489 213 213 LEU H H 9.147 0.020 1 490 213 213 LEU CA C 55.168 0.3 1 491 213 213 LEU CB C 43.041 0.3 1 492 213 213 LEU N N 128.530 0.3 1 493 220 220 PHE H H 9.657 0.020 1 494 220 220 PHE CA C 58.833 0.3 1 495 220 220 PHE CB C 46.006 0.3 1 496 220 220 PHE N N 117.993 0.3 1 497 221 221 GLU H H 8.884 0.020 1 498 221 221 GLU CA C 55.928 0.3 1 499 221 221 GLU CB C 35.100 0.3 1 500 221 221 GLU N N 121.084 0.3 1 501 222 222 VAL H H 9.337 0.020 1 502 222 222 VAL CA C 62.518 0.3 1 503 222 222 VAL CB C 32.886 0.3 1 504 222 222 VAL N N 120.255 0.3 1 505 223 223 SER H H 9.266 0.020 1 506 223 223 SER CA C 59.322 0.3 1 507 223 223 SER CB C 63.714 0.3 1 508 223 223 SER N N 120.147 0.3 1 509 227 227 HIS H H 7.938 0.020 1 510 227 227 HIS CA C 55.987 0.3 1 511 227 227 HIS CB C 31.598 0.3 1 512 227 227 HIS N N 116.349 0.3 1 513 228 228 GLY H H 8.261 0.020 1 514 228 228 GLY CA C 45.042 0.3 1 515 228 228 GLY N N 110.870 0.3 1 516 229 229 ALA H H 8.602 0.020 1 517 229 229 ALA CA C 51.962 0.3 1 518 229 229 ALA CB C 21.134 0.3 1 519 229 229 ALA N N 125.737 0.3 1 520 230 230 GLN H H 8.901 0.020 1 521 230 230 GLN CA C 55.327 0.3 1 522 230 230 GLN CB C 32.966 0.3 1 523 230 230 GLN N N 118.669 0.3 1 524 231 231 HIS H H 8.787 0.020 1 525 231 231 HIS CA C 56.451 0.3 1 526 231 231 HIS CB C 33.691 0.3 1 527 231 231 HIS N N 119.307 0.3 1 528 232 232 HIS H H 9.314 0.020 1 529 232 232 HIS CA C 55.835 0.3 1 530 232 232 HIS CB C 34.690 0.3 1 531 232 232 HIS N N 121.269 0.3 1 532 233 233 ILE H H 8.272 0.020 1 533 233 233 ILE CA C 61.275 0.3 1 534 233 233 ILE CB C 39.888 0.3 1 535 233 233 ILE N N 125.280 0.3 1 536 234 234 TYR H H 9.702 0.020 1 537 234 234 TYR CA C 55.947 0.3 1 538 234 234 TYR CB C 42.062 0.3 1 539 234 234 TYR N N 123.687 0.3 1 540 235 235 ARG H H 8.984 0.020 1 541 235 235 ARG CA C 56.193 0.3 1 542 235 235 ARG CB C 31.434 0.3 1 543 235 235 ARG N N 122.291 0.3 1 544 236 236 LEU H H 7.417 0.020 1 545 236 236 LEU CA C 54.121 0.3 1 546 236 236 LEU CB C 42.947 0.3 1 547 236 236 LEU N N 125.140 0.3 1 548 237 237 VAL H H 8.267 0.020 1 549 237 237 VAL CA C 58.920 0.3 1 550 237 237 VAL CB C 35.703 0.3 1 551 237 237 VAL N N 114.381 0.3 1 552 238 238 LYS H H 8.459 0.020 1 553 238 238 LYS CA C 56.468 0.3 1 554 238 238 LYS CB C 33.932 0.3 1 555 238 238 LYS N N 121.377 0.3 1 556 239 239 GLU H H 8.159 0.020 1 557 239 239 GLU CA C 58.099 0.3 1 558 239 239 GLU CB C 30.793 0.3 1 559 239 239 GLU N N 130.273 0.3 1 stop_ save_