data_27706 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; EZH2 SANT1 ; _BMRB_accession_number 27706 _BMRB_flat_file_name bmr27706.str _Entry_type original _Submission_date 2018-11-28 _Accession_date 2018-11-28 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Weaver Tyler M. . 2 Musselman Catherine A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 84 "13C chemical shifts" 252 "15N chemical shifts" 84 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-02-14 update BMRB 'update entry citation' 2018-12-19 original author 'original release' stop_ _Original_release_date 2018-11-28 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; The EZH2 SANT1 domains is a histone reader domain providing sensitivity to the modification state of the H4 tail ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30700785 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Weaver Tyler M. . 2 Liu Jiachen . . 3 Connelly Katelyn E. . 4 Coble Chris . . 5 Varzavand Katayoun . . 6 Dykhuizen Emily C. . 7 Musselman Catherine A. . stop_ _Journal_abbreviation 'Sci. Rep.' _Journal_name_full 'Scientific reports' _Journal_volume 9 _Journal_issue 1 _Journal_ISSN 2045-2322 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 987 _Page_last 987 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'EZH2 SANT1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'EZH2 SANT1' $EZH2_SANT1 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_EZH2_SANT1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common EZH2_SANT1 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 113 _Mol_residue_sequence ; GPQDGTFIEELIKNYDGKVH GDRECGFINDEIFVELVNAL GQYNDDDDDDDGDDPEEREE KQKDLEDHRDDKESRPPRKF PSDKIFEAISSMFPDKGTAE ELKEKYKELTEQQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 139 GLY 2 140 PRO 3 141 GLN 4 142 ASP 5 143 GLY 6 144 THR 7 145 PHE 8 146 ILE 9 147 GLU 10 148 GLU 11 149 LEU 12 150 ILE 13 151 LYS 14 152 ASN 15 153 TYR 16 154 ASP 17 155 GLY 18 156 LYS 19 157 VAL 20 158 HIS 21 159 GLY 22 160 ASP 23 161 ARG 24 162 GLU 25 163 CYS 26 164 GLY 27 165 PHE 28 166 ILE 29 167 ASN 30 168 ASP 31 169 GLU 32 170 ILE 33 171 PHE 34 172 VAL 35 173 GLU 36 174 LEU 37 175 VAL 38 176 ASN 39 177 ALA 40 178 LEU 41 179 GLY 42 180 GLN 43 181 TYR 44 182 ASN 45 183 ASP 46 184 ASP 47 185 ASP 48 186 ASP 49 187 ASP 50 188 ASP 51 189 ASP 52 190 GLY 53 191 ASP 54 192 ASP 55 193 PRO 56 194 GLU 57 195 GLU 58 196 ARG 59 197 GLU 60 198 GLU 61 199 LYS 62 200 GLN 63 201 LYS 64 202 ASP 65 203 LEU 66 204 GLU 67 205 ASP 68 206 HIS 69 207 ARG 70 208 ASP 71 209 ASP 72 210 LYS 73 211 GLU 74 212 SER 75 213 ARG 76 214 PRO 77 215 PRO 78 216 ARG 79 217 LYS 80 218 PHE 81 219 PRO 82 220 SER 83 221 ASP 84 222 LYS 85 223 ILE 86 224 PHE 87 225 GLU 88 226 ALA 89 227 ILE 90 228 SER 91 229 SER 92 230 MET 93 231 PHE 94 232 PRO 95 233 ASP 96 234 LYS 97 235 GLY 98 236 THR 99 237 ALA 100 238 GLU 101 239 GLU 102 240 LEU 103 241 LYS 104 242 GLU 105 243 LYS 106 244 TYR 107 245 LYS 108 246 GLU 109 247 LEU 110 248 THR 111 249 GLU 112 250 GLN 113 251 GLN 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 $EZH2_SANT1 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 $EZH2_SANT1 'recombinant technology' . Escherichia coli . pDEST15 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $EZH2_SANT1 700 mM '[U-100% 13C; U-100% 15N]' NaCL 150 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $EZH2_SANT1 715 uM '[U-100% 13C; U-100% 15N]' NaCL 150 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CCPNMR _Saveframe_category software _Name CCPNMR _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(COCA)CB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_2 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 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' 150 . mM pH 6.5 . pH pressure 1 . atm temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water C 13 'methyl carbons' ppm 46.005 . indirect . . . 1 water H 1 protons ppm 4.777 . indirect . . . 1 water N 15 nitrogen ppm 116.993 . indirect . . . 1 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D HN(COCA)CB' '3D HNCA' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'EZH2 SANT1' _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 1 141 3 GLN H H 8.701 . 1 2 141 3 GLN C C 175.876 . 1 3 141 3 GLN CA C 56.082 0.015 1 4 141 3 GLN CB C 28.924 0.005 1 5 141 3 GLN N N 118.906 0.008 1 6 142 4 ASP H H 8.068 0.002 1 7 142 4 ASP C C 176.848 . 1 8 142 4 ASP CA C 54.829 0.047 1 9 142 4 ASP CB C 41.446 0.020 1 10 142 4 ASP N N 120.654 0.003 1 11 143 5 GLY H H 8.475 0.002 1 12 143 5 GLY C C 175.095 . 1 13 143 5 GLY CA C 46.204 0.054 1 14 143 5 GLY N N 109.172 0.001 1 15 144 6 THR H H 8.094 0.001 1 16 144 6 THR C C 175.395 . 1 17 144 6 THR CA C 63.328 0.042 1 18 144 6 THR CB C 69.724 0.063 1 19 144 6 THR N N 113.720 . 1 20 145 7 PHE H H 8.191 0.005 1 21 145 7 PHE CA C 60.324 . 1 22 145 7 PHE CB C 39.181 . 1 23 145 7 PHE N N 122.158 0.027 1 24 154 16 ASP C C 177.092 . 1 25 155 17 GLY N N 107.526 0.003 1 26 155 17 GLY CA C 45.916 0.017 1 27 155 17 GLY H H 7.716 0.010 1 28 155 17 GLY C C 174.451 . 1 29 156 18 LYS H H 7.900 0.004 1 30 156 18 LYS CB C 33.238 0.060 1 31 156 18 LYS C C 176.684 0.000 1 32 156 18 LYS CB C 33.238 0.060 1 33 156 18 LYS N N 119.717 0.004 1 34 157 19 VAL H H 7.952 0.004 1 35 157 19 VAL CA C 62.695 . 1 36 157 19 VAL CB C 32.550 . 1 37 157 19 VAL N N 118.660 0.001 1 38 158 20 HIS C C 174.967 . 1 39 159 21 GLY H H 8.309 0.008 1 40 159 21 GLY C C 173.633 . 1 41 159 21 GLY CA C 45.526 0.012 1 42 159 21 GLY N N 109.857 0.007 1 43 160 22 ASP H H 8.327 0.001 1 44 160 22 ASP CA C 54.500 . 1 45 160 22 ASP CB C 41.309 . 1 46 160 22 ASP N N 120.396 . 1 47 161 23 ARG C C 176.741 . 1 48 162 24 GLU H H 8.532 0.003 1 49 162 24 GLU C C 176.613 . 1 50 162 24 GLU CA C 56.909 0.015 1 51 162 24 GLU CB C 30.235 0.058 1 52 162 24 GLU N N 122.207 0.013 1 53 163 25 CYS H H 8.342 0.003 1 54 163 25 CYS C C 174.994 . 1 55 163 25 CYS CA C 58.818 0.027 1 56 163 25 CYS CB C 28.228 0.010 1 57 163 25 CYS N N 118.942 0.013 1 58 164 26 GLY H H 8.490 0.002 1 59 164 26 GLY C C 173.253 . 1 60 164 26 GLY CA C 45.784 0.023 1 61 164 26 GLY N N 110.908 0.005 1 62 165 27 PHE H H 7.917 0.002 1 63 165 27 PHE C C 174.636 . 1 64 165 27 PHE CA C 57.676 0.013 1 65 165 27 PHE CB C 40.383 0.064 1 66 165 27 PHE N N 119.221 0.012 1 67 166 28 ILE H H 7.426 0.008 1 68 166 28 ILE C C 174.032 . 1 69 166 28 ILE CA C 60.267 0.075 1 70 166 28 ILE CB C 39.206 0.032 1 71 166 28 ILE N N 119.650 0.008 1 72 167 29 ASN H H 7.627 0.006 1 73 167 29 ASN C C 175.128 . 1 74 167 29 ASN CA C 52.541 0.005 1 75 167 29 ASN CB C 39.013 0.025 1 76 167 29 ASN N N 122.137 0.016 1 77 168 30 ASP H H 8.555 0.006 1 78 168 30 ASP C C 178.263 . 1 79 168 30 ASP CA C 58.130 . 1 80 168 30 ASP CB C 40.513 . 1 81 168 30 ASP N N 119.724 0.015 1 82 169 31 GLU H H 8.162 0.002 1 83 169 31 GLU C C 179.405 . 1 84 169 31 GLU CA C 58.918 0.108 1 85 169 31 GLU CB C 32.264 0.051 1 86 169 31 GLU N N 116.857 0.004 1 87 170 32 ILE H H 7.578 0.002 1 88 170 32 ILE C C 176.880 . 1 89 170 32 ILE CA C 64.118 0.013 1 90 170 32 ILE CB C 36.364 0.074 1 91 170 32 ILE N N 120.704 0.010 1 92 171 33 PHE H H 6.630 0.003 1 93 171 33 PHE CA C 62.360 0.041 1 94 171 33 PHE CB C 38.355 0.072 1 95 171 33 PHE N N 117.854 0.027 1 96 172 34 VAL C C 178.143 . 1 97 173 35 GLU H H 8.446 0.003 1 98 173 35 GLU C C 179.327 . 1 99 173 35 GLU CA C 59.503 0.008 1 100 173 35 GLU CB C 29.437 0.051 1 101 173 35 GLU N N 119.151 0.005 1 102 174 36 LEU H H 8.746 0.001 1 103 174 36 LEU C C 177.818 . 1 104 174 36 LEU CA C 58.056 0.026 1 105 174 36 LEU CB C 42.063 0.008 1 106 174 36 LEU N N 122.077 0.002 1 107 175 37 VAL H H 7.907 0.003 1 108 175 37 VAL C C 178.325 . 1 109 175 37 VAL CA C 66.539 0.024 1 110 175 37 VAL CB C 31.313 0.019 1 111 175 37 VAL N N 118.906 0.004 1 112 176 38 ASN H H 8.002 0.002 1 113 176 38 ASN C C 177.983 . 1 114 176 38 ASN CA C 55.617 0.020 1 115 176 38 ASN CB C 37.575 0.044 1 116 176 38 ASN N N 116.721 0.007 1 117 177 39 ALA H H 8.402 0.004 1 118 177 39 ALA C C 180.580 . 1 119 177 39 ALA CA C 54.820 0.061 1 120 177 39 ALA CB C 18.788 0.004 1 121 177 39 ALA N N 123.409 0.013 1 122 178 40 LEU H H 8.219 0.003 1 123 178 40 LEU C C 179.085 . 1 124 178 40 LEU CA C 57.024 0.015 1 125 178 40 LEU CB C 42.101 0.100 1 126 178 40 LEU N N 118.203 0.020 1 127 179 41 GLY H H 8.067 0.002 1 128 179 41 GLY C C 174.690 . 1 129 179 41 GLY CA C 46.364 0.029 1 130 179 41 GLY N N 106.372 0.008 1 131 180 42 GLN H H 7.515 0.002 1 132 180 42 GLN C C 176.242 . 1 133 180 42 GLN CA C 56.789 0.025 1 134 180 42 GLN CB C 28.937 0.043 1 135 180 42 GLN N N 118.297 0.008 1 136 181 43 TYR H H 7.678 0.003 1 137 181 43 TYR C C 175.494 . 1 138 181 43 TYR CA C 58.532 0.016 1 139 181 43 TYR CB C 38.675 0.027 1 140 181 43 TYR N N 119.093 0.009 1 141 182 44 ASN H H 8.037 0.003 1 142 182 44 ASN C C 174.517 . 1 143 182 44 ASN CA C 53.389 0.014 1 144 182 44 ASN CB C 39.915 0.044 1 145 182 44 ASN N N 119.585 0.010 1 146 183 45 ASP H H 8.231 0.002 1 147 183 45 ASP CA C 54.425 . 1 148 183 45 ASP CB C 41.268 . 1 149 183 45 ASP N N 121.596 0.002 1 150 193 55 PRO CA C 64.029 . 1 151 193 55 PRO CB C 32.251 . 1 152 194 56 GLU H H 8.449 0.001 1 153 194 56 GLU C C 177.120 . 1 154 194 56 GLU CA C 57.419 0.002 1 155 194 56 GLU CB C 29.840 0.002 1 156 194 56 GLU N N 119.447 0.014 1 157 195 57 GLU H H 8.130 0.003 1 158 195 57 GLU C C 176.723 . 1 159 195 57 GLU CA C 56.889 0.003 1 160 195 57 GLU CB C 29.998 0.005 1 161 195 57 GLU N N 120.932 . 1 162 196 58 ARG H H 8.138 0.002 1 163 196 58 ARG C C 176.797 . 1 164 196 58 ARG CA C 56.807 0.009 1 165 196 58 ARG CB C 30.956 0.014 1 166 196 58 ARG N N 121.339 0.005 1 167 197 59 GLU H H 8.362 0.004 1 168 197 59 GLU C C 176.964 . 1 169 197 59 GLU CA C 57.158 . 1 170 197 59 GLU CB C 30.213 0.015 1 171 197 59 GLU N N 121.426 0.006 1 172 198 60 GLU H H 8.399 0.005 1 173 198 60 GLU C C 176.914 . 1 174 198 60 GLU CA C 57.253 0.017 1 175 198 60 GLU CB C 30.037 0.017 1 176 198 60 GLU N N 121.747 0.005 1 177 199 61 LYS H H 8.243 0.003 1 178 199 61 LYS C C 176.977 . 1 179 199 61 LYS CA C 56.858 0.003 1 180 199 61 LYS CB C 32.980 0.005 1 181 199 61 LYS N N 121.746 0.003 1 182 200 62 GLN H H 8.320 0.003 1 183 200 62 GLN C C 176.423 . 1 184 200 62 GLN CA C 56.364 0.026 1 185 200 62 GLN CB C 29.123 0.004 1 186 200 62 GLN N N 120.864 0.001 1 187 201 63 LYS H H 8.245 0.004 1 188 201 63 LYS C C 176.479 . 1 189 201 63 LYS CA C 56.815 0.021 1 190 201 63 LYS CB C 33.039 0.008 1 191 201 63 LYS N N 122.222 0.011 1 192 202 64 ASP H H 8.312 0.006 1 193 202 64 ASP C C 176.434 . 1 194 202 64 ASP CA C 54.744 0.009 1 195 202 64 ASP CB C 41.089 0.015 1 196 202 64 ASP N N 120.664 0.001 1 197 203 65 LEU H H 8.096 0.002 1 198 203 65 LEU C C 177.826 . 1 199 203 65 LEU CA C 55.696 0.004 1 200 203 65 LEU CB C 42.285 0.022 1 201 203 65 LEU N N 121.815 0.008 1 202 204 66 GLU H H 8.255 0.004 1 203 204 66 GLU C C 176.151 . 1 204 204 66 GLU CA C 56.872 0.008 1 205 204 66 GLU CB C 30.113 0.001 1 206 204 66 GLU N N 120.431 0.086 1 207 205 67 ASP H H 8.191 0.002 1 208 205 67 ASP C C 176.079 . 1 209 205 67 ASP CA C 54.306 0.033 1 210 205 67 ASP CB C 41.230 0.007 1 211 205 67 ASP N N 120.467 0.002 1 212 206 68 HIS H H 8.386 0.006 1 213 206 68 HIS C C 174.670 . 1 214 206 68 HIS CA C 55.526 . 1 215 206 68 HIS CB C 28.884 . 1 216 206 68 HIS N N 119.296 0.002 1 217 207 69 ARG H H 8.241 0.006 1 218 207 69 ARG C C 176.199 . 1 219 207 69 ARG CA C 56.749 0.098 1 220 207 69 ARG CB C 30.915 0.031 1 221 207 69 ARG N N 122.019 0.014 1 222 208 70 ASP H H 8.495 0.002 1 223 208 70 ASP C C 175.950 . 1 224 208 70 ASP CA C 54.464 0.019 1 225 208 70 ASP CB C 41.326 0.023 1 226 208 70 ASP N N 120.970 0.002 1 227 209 71 ASP H H 8.298 0.002 1 228 209 71 ASP C C 176.527 . 1 229 209 71 ASP CA C 54.411 0.006 1 230 209 71 ASP CB C 41.378 0.049 1 231 209 71 ASP N N 121.124 0.002 1 232 210 72 LYS H H 8.264 0.003 1 233 210 72 LYS C C 176.947 . 1 234 210 72 LYS CA C 56.940 0.075 1 235 210 72 LYS CB C 32.835 0.018 1 236 210 72 LYS N N 120.862 0.009 1 237 211 73 GLU H H 8.331 0.003 1 238 211 73 GLU C C 176.476 . 1 239 211 73 GLU CA C 56.725 0.007 1 240 211 73 GLU CB C 30.221 0.021 1 241 211 73 GLU N N 120.549 0.008 1 242 212 74 SER H H 8.237 0.002 1 243 212 74 SER C C 174.030 . 1 244 212 74 SER CA C 58.316 0.016 1 245 212 74 SER CB C 63.782 0.009 1 246 212 74 SER N N 116.807 0.004 1 247 213 75 ARG H H 8.256 0.002 1 248 213 75 ARG CA C 53.924 . 1 249 213 75 ARG CB C 30.360 . 1 250 213 75 ARG N N 123.941 0.015 1 251 215 77 PRO C C 176.636 . 1 252 215 77 PRO CA C 62.794 0.006 1 253 215 77 PRO CB C 32.038 . 1 254 216 78 ARG H H 8.416 0.001 1 255 216 78 ARG C C 176.268 . 1 256 216 78 ARG CA C 56.109 0.011 1 257 216 78 ARG CB C 31.114 0.022 1 258 216 78 ARG N N 121.495 0.005 1 259 217 79 LYS H H 8.424 0.002 1 260 217 79 LYS C C 175.588 . 1 261 217 79 LYS CA C 56.029 0.010 1 262 217 79 LYS CB C 33.337 0.007 1 263 217 79 LYS N N 123.401 0.008 1 264 218 80 PHE H H 8.623 0.003 1 265 218 80 PHE CA C 56.851 . 1 266 218 80 PHE CB C 40.699 . 1 267 218 80 PHE N N 126.879 0.011 1 268 219 81 PRO C C 174.810 . 1 269 219 81 PRO CA C 63.015 0.011 1 270 219 81 PRO CB C 31.381 . 1 271 220 82 SER H H 8.106 0.008 1 272 220 82 SER C C 175.359 . 1 273 220 82 SER CA C 58.040 0.022 1 274 220 82 SER CB C 64.278 0.025 1 275 220 82 SER N N 115.674 0.019 1 276 221 83 ASP H H 9.051 0.002 1 277 221 83 ASP CA C 58.213 . 1 278 221 83 ASP CB C 40.197 . 1 279 221 83 ASP N N 124.263 0.002 1 280 222 84 LYS C C 177.125 . 1 281 223 85 ILE H H 8.301 0.004 1 282 223 85 ILE C C 175.618 . 1 283 223 85 ILE CA C 60.649 0.043 1 284 223 85 ILE CB C 39.041 0.066 1 285 223 85 ILE N N 119.960 0.002 1 286 224 86 PHE H H 7.766 0.003 1 287 224 86 PHE C C 177.457 . 1 288 224 86 PHE CA C 67.545 0.026 1 289 224 86 PHE CB C 32.030 0.001 1 290 224 86 PHE N N 117.898 0.008 1 291 225 87 GLU H H 7.645 0.003 1 292 225 87 GLU C C 178.818 . 1 293 225 87 GLU CA C 59.495 0.037 1 294 225 87 GLU CB C 29.344 0.009 1 295 225 87 GLU N N 118.299 0.006 1 296 226 88 ALA H H 7.899 0.003 1 297 226 88 ALA C C 180.357 . 1 298 226 88 ALA CA C 55.240 0.029 1 299 226 88 ALA CB C 17.977 0.003 1 300 226 88 ALA N N 122.948 0.003 1 301 227 89 ILE H H 8.065 0.002 1 302 227 89 ILE C C 177.180 . 1 303 227 89 ILE CA C 65.751 0.043 1 304 227 89 ILE CB C 37.984 0.007 1 305 227 89 ILE N N 117.551 0.011 1 306 228 90 SER H H 8.122 0.003 1 307 228 90 SER C C 176.016 . 1 308 228 90 SER CA C 61.266 0.039 1 309 228 90 SER CB C 63.373 0.034 1 310 228 90 SER N N 113.969 0.008 1 311 229 91 SER H H 7.775 0.002 1 312 229 91 SER C C 176.136 . 1 313 229 91 SER CA C 61.078 0.018 1 314 229 91 SER CB C 63.282 . 1 315 229 91 SER N N 111.311 0.002 1 316 230 92 MET H H 7.441 0.002 1 317 230 92 MET C C 175.668 . 1 318 230 92 MET CA C 57.920 0.053 1 319 230 92 MET CB C 34.640 0.022 1 320 230 92 MET N N 119.340 0.004 1 321 231 93 PHE H H 7.996 0.002 1 322 231 93 PHE CA C 54.646 . 1 323 231 93 PHE CB C 39.212 . 1 324 231 93 PHE N N 115.859 0.001 1 325 232 94 PRO C C 179.066 . 1 326 232 94 PRO CA C 65.152 0.034 1 327 232 94 PRO CB C 31.644 . 1 328 233 95 ASP H H 8.638 0.003 1 329 233 95 ASP C C 177.433 . 1 330 233 95 ASP CA C 55.358 0.004 1 331 233 95 ASP CB C 40.285 0.052 1 332 233 95 ASP N N 115.730 0.009 1 333 234 96 LYS H H 8.257 0.003 1 334 234 96 LYS C C 176.027 . 1 335 234 96 LYS CA C 55.828 0.025 1 336 234 96 LYS CB C 32.022 0.009 1 337 234 96 LYS N N 119.175 0.004 1 338 235 97 GLY H H 7.175 0.002 1 339 235 97 GLY C C 173.399 . 1 340 235 97 GLY CA C 44.408 0.014 1 341 235 97 GLY N N 105.550 0.003 1 342 236 98 THR H H 8.506 0.004 1 343 236 98 THR C C 175.197 . 1 344 236 98 THR CA C 61.162 0.036 1 345 236 98 THR CB C 71.186 0.016 1 346 236 98 THR N N 110.671 0.006 1 347 237 99 ALA H H 9.126 0.002 1 348 237 99 ALA C C 179.448 . 1 349 237 99 ALA CA C 56.667 0.027 1 350 237 99 ALA CB C 18.310 0.023 1 351 237 99 ALA N N 122.894 0.016 1 352 238 100 GLU H H 8.416 0.002 1 353 238 100 GLU C C 179.363 . 1 354 238 100 GLU CA C 59.798 0.002 1 355 238 100 GLU CB C 29.389 0.006 1 356 238 100 GLU N N 115.445 0.008 1 357 239 101 GLU H H 7.607 0.003 1 358 239 101 GLU C C 180.431 . 1 359 239 101 GLU CA C 59.054 0.042 1 360 239 101 GLU CB C 29.657 0.014 1 361 239 101 GLU N N 120.433 0.023 1 362 240 102 LEU H H 8.703 0.002 1 363 240 102 LEU C C 178.184 . 1 364 240 102 LEU CA C 57.671 0.005 1 365 240 102 LEU CB C 41.719 0.049 1 366 240 102 LEU N N 120.378 0.011 1 367 241 103 LYS H H 8.007 0.005 1 368 241 103 LYS C C 178.236 . 1 369 241 103 LYS CA C 59.884 0.071 1 370 241 103 LYS CB C 32.406 0.095 1 371 241 103 LYS N N 122.362 0.004 1 372 242 104 GLU H H 7.503 0.003 1 373 242 104 GLU C C 178.953 . 1 374 242 104 GLU CA C 59.019 0.031 1 375 242 104 GLU CB C 29.020 0.022 1 376 242 104 GLU N N 117.629 0.012 1 377 243 105 LYS H H 8.198 0.002 1 378 243 105 LYS C C 178.169 . 1 379 243 105 LYS CA C 58.583 0.049 1 380 243 105 LYS CB C 31.517 0.096 1 381 243 105 LYS N N 121.114 0.002 1 382 244 106 TYR H H 8.968 0.004 1 383 244 106 TYR C C 178.561 . 1 384 244 106 TYR CA C 63.193 0.002 1 385 244 106 TYR CB C 39.370 0.034 1 386 244 106 TYR N N 119.275 0.027 1 387 245 107 LYS H H 8.370 0.002 1 388 245 107 LYS C C 177.972 . 1 389 245 107 LYS CA C 60.782 0.015 1 390 245 107 LYS CB C 32.550 0.020 1 391 245 107 LYS N N 120.992 0.002 1 392 246 108 GLU H H 8.070 0.001 1 393 246 108 GLU C C 179.511 . 1 394 246 108 GLU CA C 59.158 0.024 1 395 246 108 GLU CB C 29.695 0.071 1 396 246 108 GLU N N 118.819 0.023 1 397 247 109 LEU H H 8.232 0.002 1 398 247 109 LEU C C 179.014 . 1 399 247 109 LEU CA C 56.875 0.007 1 400 247 109 LEU CB C 43.176 0.030 1 401 247 109 LEU N N 117.059 0.016 1 402 248 110 THR H H 7.568 0.004 1 403 248 110 THR C C 175.135 . 1 404 248 110 THR CA C 62.257 0.045 1 405 248 110 THR CB C 70.208 0.032 1 406 248 110 THR N N 107.112 0.009 1 407 249 111 GLU H H 7.775 0.003 1 408 249 111 GLU C C 176.374 . 1 409 249 111 GLU CA C 57.192 0.012 1 410 249 111 GLU CB C 29.521 0.010 1 411 249 111 GLU N N 121.810 0.009 1 412 250 112 GLN H H 8.159 0.002 1 413 250 112 GLN C C 175.097 . 1 414 250 112 GLN CA C 55.825 0.008 1 415 250 112 GLN CB C 29.754 0.004 1 416 250 112 GLN N N 120.224 0.003 1 417 251 113 GLN H H 8.012 0.002 1 418 251 113 GLN CA C 57.496 . 1 419 251 113 GLN CB C 30.341 . 1 420 251 113 GLN N N 126.527 0.004 1 stop_ save_