data_17473 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H and 15N Chemical Shift Assignments for chimeric fusion of S. cerevisiae and C. albicans Sup35 ; _BMRB_accession_number 17473 _BMRB_flat_file_name bmr17473.str _Entry_type original _Submission_date 2011-02-16 _Accession_date 2011-02-16 _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 Foo Catherine K. . 2 Kelly Mark JS . 3 Jonathan Weissman S. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 140 "15N chemical shifts" 146 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-04-08 update BMRB 'update entry citation' 2011-03-07 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Radically different amyloid conformations dictate the seeding specificity of a chimeric sup35 prion.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21333653 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Foo Catherine K. . 2 Ohhashi Yumiko . . 3 Kelly Mark J.S. . 4 Tanaka Motomasa . . 5 Weissman Jonathan S. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 408 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1 _Page_last 8 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Chimera monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Chimera monomer' $SC_CA_Sup35_chimera stop_ _System_molecular_weight . _System_physical_state denatured _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_SC_CA_Sup35_chimera _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SC/CA_Sup35_chimera _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 274 _Mol_residue_sequence ; MSDSNQGNNQQNYQQYSQNG NQQQGNNRYQGYQAYNAQAQ SFVPQGGYQQFQQFQPQQQQ QQYGGYNQYNQYQGGYQQNY NNRGGYQQGYNNRGGYQQNY NNRGGYQGYNQNQQYGGYQQ YNSQPQQQQQQQSQGMSLND FQKQQKQAAPKPKKTLKLVS SSGIKLANATKKVGTKPAES DKKEEEKSAETKEPTKEPTK VEEPVKKEEKPVQTEEKTEE KSELPKVEDLKISESTHNTN NANVTSADALIKEQEEEVDD EVVNDHHHHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 ASP 4 SER 5 ASN 6 GLN 7 GLY 8 ASN 9 ASN 10 GLN 11 GLN 12 ASN 13 TYR 14 GLN 15 GLN 16 TYR 17 SER 18 GLN 19 ASN 20 GLY 21 ASN 22 GLN 23 GLN 24 GLN 25 GLY 26 ASN 27 ASN 28 ARG 29 TYR 30 GLN 31 GLY 32 TYR 33 GLN 34 ALA 35 TYR 36 ASN 37 ALA 38 GLN 39 ALA 40 GLN 41 SER 42 PHE 43 VAL 44 PRO 45 GLN 46 GLY 47 GLY 48 TYR 49 GLN 50 GLN 51 PHE 52 GLN 53 GLN 54 PHE 55 GLN 56 PRO 57 GLN 58 GLN 59 GLN 60 GLN 61 GLN 62 GLN 63 TYR 64 GLY 65 GLY 66 TYR 67 ASN 68 GLN 69 TYR 70 ASN 71 GLN 72 TYR 73 GLN 74 GLY 75 GLY 76 TYR 77 GLN 78 GLN 79 ASN 80 TYR 81 ASN 82 ASN 83 ARG 84 GLY 85 GLY 86 TYR 87 GLN 88 GLN 89 GLY 90 TYR 91 ASN 92 ASN 93 ARG 94 GLY 95 GLY 96 TYR 97 GLN 98 GLN 99 ASN 100 TYR 101 ASN 102 ASN 103 ARG 104 GLY 105 GLY 106 TYR 107 GLN 108 GLY 109 TYR 110 ASN 111 GLN 112 ASN 113 GLN 114 GLN 115 TYR 116 GLY 117 GLY 118 TYR 119 GLN 120 GLN 121 TYR 122 ASN 123 SER 124 GLN 125 PRO 126 GLN 127 GLN 128 GLN 129 GLN 130 GLN 131 GLN 132 GLN 133 SER 134 GLN 135 GLY 136 MET 137 SER 138 LEU 139 ASN 140 ASP 141 PHE 142 GLN 143 LYS 144 GLN 145 GLN 146 LYS 147 GLN 148 ALA 149 ALA 150 PRO 151 LYS 152 PRO 153 LYS 154 LYS 155 THR 156 LEU 157 LYS 158 LEU 159 VAL 160 SER 161 SER 162 SER 163 GLY 164 ILE 165 LYS 166 LEU 167 ALA 168 ASN 169 ALA 170 THR 171 LYS 172 LYS 173 VAL 174 GLY 175 THR 176 LYS 177 PRO 178 ALA 179 GLU 180 SER 181 ASP 182 LYS 183 LYS 184 GLU 185 GLU 186 GLU 187 LYS 188 SER 189 ALA 190 GLU 191 THR 192 LYS 193 GLU 194 PRO 195 THR 196 LYS 197 GLU 198 PRO 199 THR 200 LYS 201 VAL 202 GLU 203 GLU 204 PRO 205 VAL 206 LYS 207 LYS 208 GLU 209 GLU 210 LYS 211 PRO 212 VAL 213 GLN 214 THR 215 GLU 216 GLU 217 LYS 218 THR 219 GLU 220 GLU 221 LYS 222 SER 223 GLU 224 LEU 225 PRO 226 LYS 227 VAL 228 GLU 229 ASP 230 LEU 231 LYS 232 ILE 233 SER 234 GLU 235 SER 236 THR 237 HIS 238 ASN 239 THR 240 ASN 241 ASN 242 ALA 243 ASN 244 VAL 245 THR 246 SER 247 ALA 248 ASP 249 ALA 250 LEU 251 ILE 252 LYS 253 GLU 254 GLN 255 GLU 256 GLU 257 GLU 258 VAL 259 ASP 260 ASP 261 GLU 262 VAL 263 VAL 264 ASN 265 ASP 266 HIS 267 HIS 268 HIS 269 HIS 270 HIS 271 HIS 272 HIS 273 HIS 274 HIS 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 $SC_CA_Sup35_chimera yeast 4932 Eukaryota Fungi Saccharomyces cerevisiae $SC_CA_Sup35_chimera ascomycetes 5476 Eukaryota Fungi Candida albicans 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 $SC_CA_Sup35_chimera 'recombinant technology' . Escherichia coli . 'pET29a Chim-His' 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 $SC_CA_Sup35_chimera .135 nM '[U-99% 13C; U-99% 15N]' DMSO 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ 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 Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _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_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HN(CA)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)NH' _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 pH 5 . pH temperature 298 . 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCO' '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '2D 1H-15N HSQC' '3D HN(CO)CA' '3D HN(CA)NH' 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 'Chimera monomer' _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 3 3 ASP H H 8.848 . 1 2 3 3 ASP N N 119.805 . 1 3 4 4 SER H H 8.019 . 1 4 4 4 SER N N 112.917 . 1 5 5 5 ASN H H 8.256 . 1 6 5 5 ASN N N 119.228 . 1 7 6 6 GLN H H 8.020 . 1 8 6 6 GLN N N 117.371 . 1 9 7 7 GLY H H 8.210 . 1 10 7 7 GLY N N 106.191 . 1 11 8 8 ASN H H 8.139 . 1 12 8 8 ASN N N 116.860 . 1 13 9 9 ASN H H 8.268 . 1 14 9 9 ASN N N 118.035 . 1 15 10 10 GLN N N 117.262 . 1 16 11 11 GLN H H 7.984 . 1 17 11 11 GLN N N 117.231 . 1 18 15 15 GLN H H 7.974 . 1 19 15 15 GLN N N 118.091 . 1 20 16 16 TYR H H 7.967 . 1 21 16 16 TYR N N 117.439 . 1 22 17 17 SER H H 8.153 . 1 23 17 17 SER N N 114.031 . 1 24 18 18 GLN H H 8.174 . 1 25 18 18 GLN N N 119.722 . 1 26 19 19 ASN H H 8.164 . 1 27 19 19 ASN N N 117.353 . 1 28 20 20 GLY H H 8.196 . 1 29 20 20 GLY N N 106.499 . 1 30 22 22 GLN H H 8.122 . 1 31 22 22 GLN N N 118.042 . 1 32 23 23 GLN H H 8.035 . 1 33 23 23 GLN N N 117.767 . 1 34 24 24 GLN H H 7.998 . 1 35 24 24 GLN N N 117.969 . 1 36 25 25 GLY H H 8.159 . 1 37 25 25 GLY N N 106.474 . 1 38 26 26 ASN H H 8.185 . 1 39 26 26 ASN N N 117.199 . 1 40 27 27 ASN H H 8.228 . 1 41 27 27 ASN N N 117.925 . 1 42 28 28 ARG N N 117.572 . 1 43 29 29 TYR N N 116.871 . 1 44 30 30 GLN H H 7.934 . 1 45 30 30 GLN N N 118.089 . 1 46 31 31 GLY H H 7.977 . 1 47 31 31 GLY N N 106.378 . 1 48 32 32 TYR H H 8.022 . 1 49 32 32 TYR N N 116.828 . 1 50 33 33 GLN H H 8.271 . 1 51 33 33 GLN N N 118.636 . 1 52 34 34 ALA H H 7.987 . 1 53 34 34 ALA N N 121.384 . 1 54 35 35 TYR H H 7.907 . 1 55 35 35 TYR N N 115.559 . 1 56 36 36 ASN H H 8.255 . 1 57 36 36 ASN N N 117.922 . 1 58 37 37 ALA H H 8.108 . 1 59 37 37 ALA N N 121.795 . 1 60 38 38 GLN H H 8.042 . 1 61 38 38 GLN N N 115.576 . 1 62 39 39 ALA H H 7.857 . 1 63 39 39 ALA N N 120.765 . 1 64 40 40 GLN H H 7.955 . 1 65 40 40 GLN N N 116.345 . 1 66 41 41 SER H H 7.887 . 1 67 41 41 SER N N 113.516 . 1 68 42 42 PHE H H 7.940 . 1 69 42 42 PHE N N 117.593 . 1 70 43 43 VAL H H 8.193 . 1 71 43 43 VAL N N 119.207 . 1 72 45 45 GLN H H 8.241 . 1 73 45 45 GLN N N 117.868 . 1 74 46 46 GLY H H 8.129 . 1 75 46 46 GLY N N 106.398 . 1 76 47 47 GLY H H 8.076 . 1 77 47 47 GLY N N 105.450 . 1 78 64 64 GLY H H 8.233 . 5 79 64 64 GLY N N 106.932 . 5 80 65 65 GLY H H 7.995 . 1 81 65 65 GLY N N 105.596 . 1 82 73 73 GLN H H 7.974 . 1 83 73 73 GLN N N 118.091 . 1 84 74 74 GLY H H 7.929 . 1 85 74 74 GLY N N 106.150 . 1 86 75 75 GLY H H 8.072 . 1 87 75 75 GLY N N 105.433 . 1 88 84 84 GLY H H 8.181 . 1 89 84 84 GLY N N 105.614 . 1 90 85 85 GLY H H 8.032 . 1 91 85 85 GLY N N 105.351 . 1 92 89 89 GLY H H 8.134 . 5 93 89 89 GLY N N 106.549 . 5 94 94 94 GLY H H 8.182 . 1 95 94 94 GLY N N 105.600 . 1 96 95 95 GLY H H 8.031 . 1 97 95 95 GLY N N 105.352 . 1 98 104 104 GLY H H 8.182 . 1 99 104 104 GLY N N 105.600 . 1 100 105 105 GLY H H 8.031 . 1 101 105 105 GLY N N 105.352 . 1 102 106 106 TYR H H 8.075 . 1 103 106 106 TYR N N 117.191 . 1 104 107 107 GLN H H 7.978 . 1 105 107 107 GLN N N 106.158 . 1 106 108 108 GLY H H 8.134 . 5 107 108 108 GLY N N 106.549 . 5 108 116 116 GLY H H 8.284 . 5 109 116 116 GLY N N 107.047 . 5 110 117 117 GLY H H 7.997 . 1 111 117 117 GLY N N 105.572 . 1 112 121 121 TYR N N 117.332 . 1 113 122 122 ASN H H 8.308 . 1 114 122 122 ASN N N 118.148 . 1 115 123 123 SER H H 7.878 . 1 116 123 123 SER N N 113.621 . 1 117 124 124 GLN H H 8.123 . 1 118 124 124 GLN N N 119.751 . 1 119 132 132 GLN H H 8.144 . 1 120 132 132 GLN N N 118.736 . 1 121 133 133 SER H H 8.043 . 1 122 133 133 SER N N 114.470 . 1 123 134 134 GLN H H 8.184 . 1 124 134 134 GLN N N 119.503 . 1 125 135 135 GLY H H 8.178 . 1 126 135 135 GLY N N 106.202 . 1 127 136 136 MET H H 8.051 . 1 128 136 136 MET N N 116.856 . 1 129 137 137 SER H H 8.122 . 1 130 137 137 SER N N 115.061 . 1 131 138 138 LEU H H 8.077 . 1 132 138 138 LEU N N 120.796 . 1 133 139 139 ASN H H 8.140 . 1 134 139 139 ASN N N 116.208 . 1 135 140 140 ASP H H 8.277 . 1 136 140 140 ASP N N 117.636 . 1 137 141 141 PHE H H 7.997 . 1 138 141 141 PHE N N 116.044 . 1 139 147 147 GLN H H 8.059 . 1 140 147 147 GLN N N 118.117 . 1 141 148 148 ALA H H 8.088 . 1 142 148 148 ALA N N 121.634 . 1 143 149 149 ALA H H 8.064 . 1 144 149 149 ALA N N 120.438 . 1 145 154 154 LYS H H 8.079 . 1 146 154 154 LYS N N 118.474 . 1 147 155 155 THR H H 7.853 . 1 148 155 155 THR N N 112.402 . 1 149 156 156 LEU H H 7.986 . 1 150 156 156 LEU N N 120.881 . 1 151 157 157 LYS H H 8.096 . 1 152 157 157 LYS N N 118.979 . 1 153 158 158 LEU H H 8.097 . 1 154 158 158 LEU N N 120.111 . 1 155 159 159 VAL H H 7.741 . 1 156 159 159 VAL N N 114.694 . 1 157 160 160 SER H H 8.116 . 1 158 160 160 SER N N 116.335 . 1 159 161 161 SER H H 8.101 . 1 160 161 161 SER N N 115.474 . 1 161 162 162 SER H H 8.111 . 1 162 162 162 SER N N 115.055 . 1 163 163 163 GLY H H 8.150 . 1 164 163 163 GLY N N 107.567 . 1 165 164 164 ILE H H 7.825 . 1 166 164 164 ILE N N 116.394 . 1 167 165 165 LYS H H 8.147 . 1 168 165 165 LYS N N 122.301 . 1 169 166 166 LEU H H 7.999 . 1 170 166 166 LEU N N 119.830 . 1 171 167 167 ALA H H 8.055 . 1 172 167 167 ALA N N 120.445 . 1 173 168 168 ASN H H 8.136 . 1 174 168 168 ASN N N 115.852 . 1 175 169 169 ALA H H 7.965 . 1 176 169 169 ALA N N 120.468 . 1 177 170 170 THR H H 7.834 . 1 178 170 170 THR N N 110.187 . 1 179 171 171 LYS H H 7.935 . 1 180 171 171 LYS N N 119.491 . 1 181 172 172 LYS H H 8.124 . 1 182 172 172 LYS N N 119.291 . 1 183 173 173 VAL H H 7.791 . 1 184 173 173 VAL N N 115.447 . 1 185 174 174 GLY H H 8.289 . 1 186 174 174 GLY N N 108.882 . 1 187 175 175 THR H H 7.801 . 1 188 175 175 THR N N 110.922 . 1 189 176 176 LYS H H 8.061 . 1 190 176 176 LYS N N 120.487 . 1 191 178 178 ALA H H 8.207 . 1 192 178 178 ALA N N 120.453 . 1 193 179 179 GLU H H 7.982 . 1 194 179 179 GLU N N 115.842 . 1 195 180 180 SER H H 7.964 . 1 196 180 180 SER N N 113.288 . 1 197 181 181 ASP H H 8.373 . 1 198 181 181 ASP N N 119.653 . 1 199 182 182 LYS H H 7.889 . 1 200 182 182 LYS N N 117.732 . 1 201 187 187 LYS H H 8.067 . 1 202 187 187 LYS N N 119.052 . 1 203 188 188 SER H H 8.086 . 1 204 188 188 SER N N 114.192 . 1 205 189 189 ALA H H 8.147 . 1 206 189 189 ALA N N 122.487 . 1 207 190 190 GLU H H 8.099 . 1 208 190 190 GLU N N 116.364 . 1 209 191 191 THR H H 7.737 . 1 210 191 191 THR N N 112.043 . 1 211 192 192 LYS H H 7.975 . 1 212 192 192 LYS N N 119.424 . 1 213 195 195 THR H H 7.916 . 1 214 195 195 THR N N 111.092 . 1 215 196 196 LYS H H 7.865 . 1 216 196 196 LYS N N 118.861 . 1 217 197 197 GLU N N 119.014 . 1 218 199 199 THR H H 7.939 . 1 219 199 199 THR N N 111.057 . 1 220 200 200 LYS H H 7.848 . 1 221 200 200 LYS N N 119.063 . 1 222 201 201 VAL H H 7.909 . 1 223 201 201 VAL N N 116.130 . 1 224 202 202 GLU H H 8.088 . 1 225 202 202 GLU N N 120.638 . 1 226 203 203 GLU H H 8.069 . 1 227 203 203 GLU N N 119.021 . 1 228 205 205 VAL H H 7.942 . 1 229 205 205 VAL N N 115.222 . 1 230 206 206 LYS H H 8.018 . 1 231 206 206 LYS N N 120.764 . 1 232 209 209 GLU H H 8.047 . 1 233 209 209 GLU N N 118.362 . 1 234 210 210 LYS H H 8.204 . 1 235 210 210 LYS N N 120.025 . 1 236 212 212 VAL H H 7.944 . 1 237 212 212 VAL N N 115.314 . 1 238 213 213 GLN H H 8.159 . 1 239 213 213 GLN N N 120.727 . 1 240 214 214 THR H H 7.842 . 1 241 214 214 THR N N 112.294 . 1 242 215 215 GLU H H 7.944 . 1 243 215 215 GLU N N 118.775 . 1 244 216 216 GLU H H 8.143 . 1 245 216 216 GLU N N 118.792 . 1 246 217 217 LYS H H 8.127 . 1 247 217 217 LYS N N 119.587 . 1 248 218 218 THR H H 7.915 . 1 249 218 218 THR N N 112.659 . 1 250 219 219 GLU H H 7.976 . 1 251 219 219 GLU N N 118.999 . 1 252 220 220 GLU N N 118.538 . 1 253 226 226 LYS H H 8.146 . 1 254 226 226 LYS N N 117.903 . 1 255 227 227 VAL H H 7.697 . 1 256 227 227 VAL N N 114.907 . 1 257 228 228 GLU H H 8.112 . 1 258 228 228 GLU N N 119.716 . 1 259 229 229 ASP H H 8.238 . 1 260 229 229 ASP N N 118.364 . 1 261 230 230 LEU H H 7.905 . 1 262 230 230 LEU N N 118.938 . 1 263 231 231 LYS H H 8.038 . 1 264 231 231 LYS N N 118.738 . 1 265 232 232 ILE H H 7.754 . 1 266 232 232 ILE N N 116.620 . 1 267 233 233 SER H H 8.066 . 1 268 233 233 SER N N 116.741 . 1 269 234 234 GLU H H 8.043 . 1 270 234 234 GLU N N 119.161 . 1 271 235 235 SER H H 8.051 . 1 272 235 235 SER N N 114.058 . 1 273 236 236 THR H H 7.904 . 1 274 236 236 THR N N 112.800 . 1 275 237 237 HIS H H 8.152 . 1 276 237 237 HIS N N 116.721 . 1 277 238 238 ASN H H 8.359 . 1 278 238 238 ASN N N 118.666 . 1 279 239 239 THR H H 7.906 . 1 280 239 239 THR N N 111.523 . 1 281 241 241 ASN H H 8.123 . 1 282 241 241 ASN N N 117.138 . 1 283 242 242 ALA H H 8.177 . 1 284 242 242 ALA N N 121.083 . 1 285 243 243 ASN H H 8.196 . 1 286 243 243 ASN N N 116.286 . 1 stop_ loop_ _Atom_shift_assign_ID_ambiguity 78 108 '79,109' '92,106' '93,107' stop_ save_