data_12016 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H and 15N Chemical Shift Assignments for Sup35NM ; _BMRB_accession_number 12016 _BMRB_flat_file_name bmr12016.str _Entry_type original _Submission_date 2018-02-06 _Accession_date 2018-02-18 _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 Ohhashi Yumiko . . 2 Yamaguchi Yoshiki . . 3 Kamatari Yuji O. . 4 Hanashima Shinya . . 5 Kuwata Kazuo . . 6 Tanaka Motomasa . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 219 "15N chemical shifts" 219 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-02-27 update BMRB 'update entry citation' 2018-02-27 original author 'original release' stop_ _Original_release_date 2018-02-18 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Molecular basis for diversification of yeast prion strain conformation ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29467288 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ohhashi Yumiko . . 2 Yamaguchi Yoshiki . . 3 Kurahashi Hiroshi . . 4 Kamatari Yuji O. . 5 Sugiyama Shinju . . 6 Uluca Boran . . 7 Piechatzek Timo . . 8 Komi Yusuke . . 9 Shida Toshinobu . . 10 Muller Henrik . . 11 Hanashima Shinya . . 12 Heise Henrike . . 13 Kuwata Kazuo . . 14 Tanaka Motomasa . . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Journal_volume 115 _Journal_issue 10 _Journal_ISSN 1091-6490 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2389 _Page_last 2394 _Year 2018 _Details . loop_ _Keyword Aggregate Amyloid 'Protein dynamics' 'Protein misfolding' 'Yeast prion' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Sup35NM _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Sup35, component 1' $Sup35 'Sup35, component 2' $Sup35 stop_ _System_molecular_weight . _System_physical_state 'intrinsically disordered' _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Sup35 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Sup35 _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'Translation Termination Factor' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 260 _Mol_residue_sequence ; MSDSNQGNNQQNYQQYSQNG NQQQGNNRYQGYQAYNAQAQ PAGGYYQNYQGYSGYQQGGY QQYNPDAGYQQQYNPQGGYQ QYNPQGGYQQQFNPQGGRGN YKNFNYNNNLQGYQAGFQPQ SQGMSLNDFQKQQKQAAPKP KKTLKLVSSSGIKLANATKK VGTKPAESDKKEEEKSAETK EPTKEPTKVEEPVKKEEKPV QTEEKTEEKSELPKVEDLKI SESTHNTNNANVTSADALIK EQEEEVDDEVVNDHHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 SER 3 3 ASP 4 4 SER 5 5 ASN 6 6 GLN 7 7 GLY 8 8 ASN 9 9 ASN 10 10 GLN 11 11 GLN 12 12 ASN 13 13 TYR 14 14 GLN 15 15 GLN 16 16 TYR 17 17 SER 18 18 GLN 19 19 ASN 20 20 GLY 21 21 ASN 22 22 GLN 23 23 GLN 24 24 GLN 25 25 GLY 26 26 ASN 27 27 ASN 28 28 ARG 29 29 TYR 30 30 GLN 31 31 GLY 32 32 TYR 33 33 GLN 34 34 ALA 35 35 TYR 36 36 ASN 37 37 ALA 38 38 GLN 39 39 ALA 40 40 GLN 41 41 PRO 42 42 ALA 43 43 GLY 44 44 GLY 45 45 TYR 46 46 TYR 47 47 GLN 48 48 ASN 49 49 TYR 50 50 GLN 51 51 GLY 52 52 TYR 53 53 SER 54 54 GLY 55 55 TYR 56 56 GLN 57 57 GLN 58 58 GLY 59 59 GLY 60 60 TYR 61 61 GLN 62 62 GLN 63 63 TYR 64 64 ASN 65 65 PRO 66 66 ASP 67 67 ALA 68 68 GLY 69 69 TYR 70 70 GLN 71 71 GLN 72 72 GLN 73 73 TYR 74 74 ASN 75 75 PRO 76 76 GLN 77 77 GLY 78 78 GLY 79 79 TYR 80 80 GLN 81 81 GLN 82 82 TYR 83 83 ASN 84 84 PRO 85 85 GLN 86 86 GLY 87 87 GLY 88 88 TYR 89 89 GLN 90 90 GLN 91 91 GLN 92 92 PHE 93 93 ASN 94 94 PRO 95 95 GLN 96 96 GLY 97 97 GLY 98 98 ARG 99 99 GLY 100 100 ASN 101 101 TYR 102 102 LYS 103 103 ASN 104 104 PHE 105 105 ASN 106 106 TYR 107 107 ASN 108 108 ASN 109 109 ASN 110 110 LEU 111 111 GLN 112 112 GLY 113 113 TYR 114 114 GLN 115 115 ALA 116 116 GLY 117 117 PHE 118 118 GLN 119 119 PRO 120 120 GLN 121 121 SER 122 122 GLN 123 123 GLY 124 124 MET 125 125 SER 126 126 LEU 127 127 ASN 128 128 ASP 129 129 PHE 130 130 GLN 131 131 LYS 132 132 GLN 133 133 GLN 134 134 LYS 135 135 GLN 136 136 ALA 137 137 ALA 138 138 PRO 139 139 LYS 140 140 PRO 141 141 LYS 142 142 LYS 143 143 THR 144 144 LEU 145 145 LYS 146 146 LEU 147 147 VAL 148 148 SER 149 149 SER 150 150 SER 151 151 GLY 152 152 ILE 153 153 LYS 154 154 LEU 155 155 ALA 156 156 ASN 157 157 ALA 158 158 THR 159 159 LYS 160 160 LYS 161 161 VAL 162 162 GLY 163 163 THR 164 164 LYS 165 165 PRO 166 166 ALA 167 167 GLU 168 168 SER 169 169 ASP 170 170 LYS 171 171 LYS 172 172 GLU 173 173 GLU 174 174 GLU 175 175 LYS 176 176 SER 177 177 ALA 178 178 GLU 179 179 THR 180 180 LYS 181 181 GLU 182 182 PRO 183 183 THR 184 184 LYS 185 185 GLU 186 186 PRO 187 187 THR 188 188 LYS 189 189 VAL 190 190 GLU 191 191 GLU 192 192 PRO 193 193 VAL 194 194 LYS 195 195 LYS 196 196 GLU 197 197 GLU 198 198 LYS 199 199 PRO 200 200 VAL 201 201 GLN 202 202 THR 203 203 GLU 204 204 GLU 205 205 LYS 206 206 THR 207 207 GLU 208 208 GLU 209 209 LYS 210 210 SER 211 211 GLU 212 212 LEU 213 213 PRO 214 214 LYS 215 215 VAL 216 216 GLU 217 217 ASP 218 218 LEU 219 219 LYS 220 220 ILE 221 221 SER 222 222 GLU 223 223 SER 224 224 THR 225 225 HIS 226 226 ASN 227 227 THR 228 228 ASN 229 229 ASN 230 230 ALA 231 231 ASN 232 232 VAL 233 233 THR 234 234 SER 235 235 ALA 236 236 ASP 237 237 ALA 238 238 LEU 239 239 ILE 240 240 LYS 241 241 GLU 242 242 GLN 243 243 GLU 244 244 GLU 245 245 GLU 246 246 VAL 247 247 ASP 248 248 ASP 249 249 GLU 250 250 VAL 251 251 VAL 252 252 ASN 253 253 ASP 254 254 HIS 255 255 HIS 256 256 HIS 257 257 HIS 258 258 HIS 259 259 HIS 260 260 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value GB AFD29121.1 Sup35 . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Sup35 "baker's yeast" 4932 Eukaryota Fungi Saccharomyces cerevisiae 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 $Sup35 'recombinant technology' . Escherichia coli . pET29b 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 $Sup35 100 uM '[U-95% 15N]' MES 50 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % '[U-99% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.114 loop_ _Vendor _Address _Electronic_address Goddard https://www.cgl.ucsf.edu/home/sparky . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _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_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.05 . M pH 5.2 . pH pressure 1 . atm temperature 310.15 . 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 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' 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 'Sup35, component 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 4 4 SER H H 8.422 0.01 1 2 4 4 SER N N 116.337 0.1 1 3 5 5 ASN H H 8.507 0.01 1 4 5 5 ASN N N 120.643 0.1 1 5 6 6 GLN H H 8.291 0.01 1 6 6 6 GLN N N 120.210 0.1 1 7 7 7 GLY H H 8.384 0.01 1 8 7 7 GLY N N 109.343 0.1 1 9 8 8 ASN H H 8.269 0.01 1 10 8 8 ASN N N 118.574 0.1 1 11 9 9 ASN H H 8.419 0.01 1 12 9 9 ASN N N 119.142 0.1 1 13 10 10 GLN H H 8.318 0.01 1 14 10 10 GLN N N 120.074 0.1 1 15 11 11 GLN H H 8.321 0.01 1 16 11 11 GLN N N 120.442 0.1 1 17 12 12 ASN H H 8.304 0.01 1 18 12 12 ASN N N 119.204 0.1 1 19 13 13 TYR H H 8.060 0.01 1 20 13 13 TYR N N 120.569 0.1 1 21 15 15 GLN H H 8.166 0.01 1 22 15 15 GLN N N 120.640 0.1 1 23 16 16 TYR H H 8.092 0.01 1 24 16 16 TYR N N 120.510 0.1 1 25 17 17 SER H H 8.113 0.01 1 26 17 17 SER N N 116.835 0.1 1 27 19 19 ASN H H 8.360 0.01 1 28 19 19 ASN N N 119.037 0.1 1 29 20 20 GLY H H 8.306 0.01 1 30 20 20 GLY N N 109.104 0.1 1 31 21 21 ASN H H 8.285 0.01 1 32 21 21 ASN N N 118.580 0.1 1 33 22 22 GLN H H 8.366 0.01 1 34 22 22 GLN N N 120.335 0.1 1 35 23 23 GLN H H 8.352 0.01 1 36 23 23 GLN N N 120.780 0.1 1 37 24 24 GLN H H 8.353 0.01 1 38 24 24 GLN N N 120.993 0.1 1 39 25 25 GLY H H 8.382 0.01 1 40 25 25 GLY N N 109.609 0.1 1 41 26 26 ASN H H 8.301 0.01 1 42 26 26 ASN N N 118.575 0.1 1 43 27 27 ASN H H 8.370 0.01 1 44 27 27 ASN N N 119.068 0.1 1 45 28 28 ARG H H 8.146 0.01 1 46 28 28 ARG N N 120.613 0.1 1 47 29 29 TYR H H 8.094 0.01 1 48 29 29 TYR N N 120.464 0.1 1 49 30 30 GLN H H 8.182 0.01 1 50 30 30 GLN N N 122.140 0.1 1 51 31 31 GLY H H 7.882 0.01 1 52 31 31 GLY N N 109.170 0.1 1 53 32 32 TYR H H 7.977 0.01 1 54 32 32 TYR N N 120.036 0.1 1 55 33 33 GLN H H 8.147 0.01 1 56 33 33 GLN N N 122.428 0.1 1 57 34 34 ALA H H 8.062 0.01 1 58 34 34 ALA N N 124.647 0.1 1 59 35 35 TYR H H 8.003 0.01 1 60 35 35 TYR N N 119.060 0.1 1 61 36 36 ASN H H 8.131 0.01 1 62 36 36 ASN N N 120.862 0.1 1 63 37 37 ALA H H 8.115 0.01 1 64 37 37 ALA N N 124.456 0.1 1 65 38 38 GLN H H 8.121 0.01 1 66 38 38 GLN N N 117.895 0.1 1 67 39 39 ALA H H 8.032 0.01 1 68 39 39 ALA N N 124.289 0.1 1 69 40 40 GLN H H 8.149 0.01 1 70 40 40 GLN N N 120.048 0.1 1 71 42 42 ALA H H 8.373 0.01 1 72 42 42 ALA N N 124.376 0.1 1 73 43 43 GLY H H 8.299 0.01 1 74 43 43 GLY N N 107.953 0.1 1 75 44 44 GLY H H 8.079 0.01 1 76 44 44 GLY N N 108.071 0.1 1 77 45 45 TYR H H 7.946 0.01 1 78 45 45 TYR N N 119.752 0.1 1 79 46 46 TYR H H 8.022 0.01 1 80 46 46 TYR N N 120.971 0.1 1 81 47 47 GLN H H 8.056 0.01 1 82 47 47 GLN N N 121.120 0.1 1 83 48 48 ASN H H 8.208 0.01 1 84 48 48 ASN N N 118.999 0.1 1 85 51 51 GLY H H 7.801 0.01 1 86 51 51 GLY N N 108.774 0.1 1 87 52 52 TYR H H 7.953 0.01 1 88 52 52 TYR N N 120.065 0.1 1 89 53 53 SER H H 8.264 0.01 1 90 53 53 SER N N 118.012 0.1 1 91 54 54 GLY H H 7.754 0.01 1 92 54 54 GLY N N 109.832 0.1 1 93 55 55 TYR H H 7.933 0.01 1 94 55 55 TYR N N 119.918 0.1 1 95 56 56 GLN H H 8.182 0.01 1 96 56 56 GLN N N 122.140 0.1 1 97 57 57 GLN H H 8.262 0.01 1 98 57 57 GLN N N 121.270 0.1 1 99 58 58 GLY H H 8.338 0.01 1 100 58 58 GLY N N 109.865 0.1 1 101 59 59 GLY H H 8.143 0.01 1 102 59 59 GLY N N 108.348 0.1 1 103 60 60 TYR H H 8.029 0.01 1 104 60 60 TYR N N 119.892 0.1 1 105 61 61 GLN H H 8.216 0.01 1 106 61 61 GLN N N 121.843 0.1 1 107 63 63 TYR H H 8.155 0.01 1 108 63 63 TYR N N 121.566 0.1 1 109 64 64 ASN H H 8.186 0.01 1 110 64 64 ASN N N 122.645 0.1 1 111 66 66 ASP H H 8.061 0.01 1 112 66 66 ASP N N 118.756 0.1 1 113 67 67 ALA H H 7.859 0.01 1 114 67 67 ALA N N 123.536 0.1 1 115 68 68 GLY H H 8.227 0.01 1 116 68 68 GLY N N 106.923 0.1 1 117 69 69 TYR H H 7.905 0.01 1 118 69 69 TYR N N 119.977 0.1 1 119 72 72 GLN H H 8.241 0.01 1 120 72 72 GLN N N 120.487 0.1 1 121 73 73 TYR H H 8.151 0.01 1 122 73 73 TYR N N 121.207 0.1 1 123 74 74 ASN H H 8.212 0.01 1 124 74 74 ASN N N 122.197 0.1 1 125 76 76 GLN H H 8.239 0.01 1 126 76 76 GLN N N 118.728 0.1 1 127 77 77 GLY H H 8.127 0.01 1 128 77 77 GLY N N 108.983 0.1 1 129 78 78 GLY H H 8.108 0.01 1 130 78 78 GLY N N 108.318 0.1 1 131 79 79 TYR H H 8.053 0.01 1 132 79 79 TYR N N 120.061 0.1 1 133 80 80 GLN H H 8.195 0.01 1 134 80 80 GLN N N 121.393 0.1 1 135 81 81 GLN H H 8.200 0.01 1 136 81 81 GLN N N 120.672 0.1 1 137 82 82 TYR H H 8.167 0.01 1 138 82 82 TYR N N 121.438 0.1 1 139 83 83 ASN H H 8.221 0.01 1 140 83 83 ASN N N 122.390 0.1 1 141 85 85 GLN H H 8.239 0.01 1 142 85 85 GLN N N 118.728 0.1 1 143 86 86 GLY H H 8.127 0.01 1 144 86 86 GLY N N 108.983 0.1 1 145 87 87 GLY H H 8.108 0.01 1 146 87 87 GLY N N 108.318 0.1 1 147 88 88 TYR H H 8.007 0.01 1 148 88 88 TYR N N 119.862 0.1 1 149 89 89 GLN H H 8.244 0.01 1 150 89 89 GLN N N 121.903 0.1 1 151 90 90 GLN H H 8.218 0.01 1 152 90 90 GLN N N 120.943 0.1 1 153 91 91 GLN H H 8.253 0.01 1 154 91 91 GLN N N 120.624 0.1 1 155 92 92 PHE H H 8.174 0.01 1 156 92 92 PHE N N 120.987 0.1 1 157 93 93 ASN H H 8.263 0.01 1 158 93 93 ASN N N 121.706 0.1 1 159 95 95 GLN H H 8.291 0.01 1 160 95 95 GLN N N 118.884 0.1 1 161 96 96 GLY H H 8.180 0.01 1 162 96 96 GLY N N 109.106 0.1 1 163 97 97 GLY H H 8.175 0.01 1 164 97 97 GLY N N 108.462 0.1 1 165 98 98 ARG H H 8.211 0.01 1 166 98 98 ARG N N 120.100 0.1 1 167 99 99 GLY H H 8.349 0.01 1 168 99 99 GLY N N 109.172 0.1 1 169 100 100 ASN H H 8.186 0.01 1 170 100 100 ASN N N 118.619 0.1 1 171 101 101 TYR H H 8.050 0.01 1 172 101 101 TYR N N 120.598 0.1 1 173 102 102 LYS H H 8.079 0.01 1 174 102 102 LYS N N 122.112 0.1 1 175 103 103 ASN H H 8.127 0.01 1 176 103 103 ASN N N 118.674 0.1 1 177 104 104 PHE H H 8.050 0.01 1 178 104 104 PHE N N 120.598 0.1 1 179 105 105 ASN H H 8.186 0.01 1 180 105 105 ASN N N 120.062 0.1 1 181 106 106 TYR H H 7.984 0.01 1 182 106 106 TYR N N 120.795 0.1 1 183 107 107 ASN H H 8.232 0.01 1 184 107 107 ASN N N 119.654 0.1 1 185 108 108 ASN H H 8.206 0.01 1 186 108 108 ASN N N 118.906 0.1 1 187 109 109 ASN H H 8.309 0.01 1 188 109 109 ASN N N 118.400 0.1 1 189 110 110 LEU H H 8.078 0.01 1 190 110 110 LEU N N 121.652 0.1 1 191 111 111 GLN H H 8.223 0.01 1 192 111 111 GLN N N 119.873 0.1 1 193 112 112 GLY H H 8.238 0.01 1 194 112 112 GLY N N 109.213 0.1 1 195 113 113 TYR H H 7.978 0.01 1 196 113 113 TYR N N 120.138 0.1 1 197 114 114 GLN H H 8.192 0.01 1 198 114 114 GLN N N 122.453 0.1 1 199 115 115 ALA H H 8.142 0.01 1 200 115 115 ALA N N 124.895 0.1 1 201 116 116 GLY H H 8.227 0.01 1 202 116 116 GLY N N 107.616 0.1 1 203 117 117 PHE H H 7.977 0.01 1 204 117 117 PHE N N 120.036 0.1 1 205 118 118 GLN H H 8.129 0.01 1 206 118 118 GLN N N 123.629 0.1 1 207 120 120 GLN H H 8.496 0.01 1 208 120 120 GLN N N 119.995 0.1 1 209 121 121 SER H H 8.246 0.01 1 210 121 121 SER N N 116.531 0.1 1 211 122 122 GLN H H 8.385 0.01 1 212 122 122 GLN N N 121.854 0.1 1 213 123 123 GLY H H 8.382 0.01 1 214 123 123 GLY N N 109.609 0.1 1 215 124 124 MET H H 8.132 0.01 1 216 124 124 MET N N 119.760 0.1 1 217 125 125 SER H H 8.491 0.01 1 218 125 125 SER N N 117.489 0.1 1 219 126 126 LEU H H 8.360 0.01 1 220 126 126 LEU N N 124.037 0.1 1 221 127 127 ASN H H 8.327 0.01 1 222 127 127 ASN N N 118.136 0.1 1 223 128 128 ASP H H 8.103 0.01 1 224 128 128 ASP N N 120.129 0.1 1 225 129 129 PHE H H 8.146 0.01 1 226 129 129 PHE N N 120.613 0.1 1 227 130 130 GLN H H 8.243 0.01 1 228 130 130 GLN N N 119.553 0.1 1 229 131 131 LYS H H 7.922 0.01 1 230 131 131 LYS N N 120.341 0.1 1 231 132 132 GLN H H 8.072 0.01 1 232 132 132 GLN N N 119.493 0.1 1 233 136 136 ALA H H 8.235 0.01 1 234 136 136 ALA N N 125.556 0.1 1 235 137 137 ALA H H 8.191 0.01 1 236 137 137 ALA N N 124.855 0.1 1 237 139 139 LYS H H 8.347 0.01 1 238 139 139 LYS N N 122.729 0.1 1 239 141 141 LYS H H 8.385 0.01 1 240 141 141 LYS N N 122.061 0.1 1 241 142 142 LYS H H 8.337 0.01 1 242 142 142 LYS N N 122.867 0.1 1 243 143 143 THR H H 8.215 0.01 1 244 143 143 THR N N 116.805 0.1 1 245 144 144 LEU H H 8.291 0.01 1 246 144 144 LEU N N 125.579 0.1 1 247 145 145 LYS H H 8.291 0.01 1 248 145 145 LYS N N 123.042 0.1 1 249 146 146 LEU H H 8.260 0.01 1 250 146 146 LEU N N 124.578 0.1 1 251 148 148 SER H H 8.392 0.01 1 252 148 148 SER N N 119.487 0.1 1 253 149 149 SER H H 8.430 0.01 1 254 149 149 SER N N 118.168 0.1 1 255 150 150 SER H H 8.353 0.01 1 256 150 150 SER N N 117.496 0.1 1 257 151 151 GLY H H 8.364 0.01 1 258 151 151 GLY N N 110.627 0.1 1 259 152 152 ILE H H 7.891 0.01 1 260 152 152 ILE N N 120.233 0.1 1 261 153 153 LYS H H 8.343 0.01 1 262 153 153 LYS N N 125.655 0.1 1 263 154 154 LEU H H 8.217 0.01 1 264 154 154 LEU N N 124.133 0.1 1 265 155 155 ALA H H 8.287 0.01 1 266 155 155 ALA N N 124.735 0.1 1 267 156 156 ASN H H 8.310 0.01 1 268 156 156 ASN N N 117.534 0.1 1 269 157 157 ALA H H 8.195 0.01 1 270 157 157 ALA N N 124.205 0.1 1 271 158 158 THR H H 8.077 0.01 1 272 158 158 THR N N 113.254 0.1 1 273 159 159 LYS H H 8.205 0.01 1 274 159 159 LYS N N 123.820 0.1 1 275 160 160 LYS H H 8.331 0.01 1 276 160 160 LYS N N 123.424 0.1 1 277 161 161 VAL H H 8.209 0.01 1 278 161 161 VAL N N 121.974 0.1 1 279 162 162 GLY H H 8.500 0.01 1 280 162 162 GLY N N 112.636 0.1 1 281 163 163 THR H H 8.022 0.01 1 282 163 163 THR N N 113.674 0.1 1 283 164 164 LYS H H 8.348 0.01 1 284 164 164 LYS N N 124.882 0.1 1 285 166 166 ALA H H 8.415 0.01 1 286 166 166 ALA N N 124.166 0.1 1 287 167 167 GLU H H 8.419 0.01 1 288 167 167 GLU N N 119.904 0.1 1 289 168 168 SER H H 8.244 0.01 1 290 168 168 SER N N 115.737 0.1 1 291 169 169 ASP H H 8.322 0.01 1 292 169 169 ASP N N 122.266 0.1 1 293 170 170 LYS H H 8.127 0.01 1 294 170 170 LYS N N 121.412 0.1 1 295 176 176 SER H H 8.307 0.01 1 296 176 176 SER N N 116.915 0.1 1 297 177 177 ALA H H 8.337 0.01 1 298 177 177 ALA N N 125.818 0.1 1 299 178 178 GLU H H 8.311 0.01 1 300 178 178 GLU N N 119.557 0.1 1 301 179 179 THR H H 8.126 0.01 1 302 179 179 THR N N 115.506 0.1 1 303 180 180 LYS H H 8.295 0.01 1 304 180 180 LYS N N 124.033 0.1 1 305 181 181 GLU H H 8.381 0.01 1 306 181 181 GLU N N 123.386 0.1 1 307 183 183 THR H H 8.190 0.01 1 308 183 183 THR N N 114.768 0.1 1 309 184 184 LYS H H 8.314 0.01 1 310 184 184 LYS N N 124.028 0.1 1 311 185 185 GLU H H 8.384 0.01 1 312 185 185 GLU N N 123.650 0.1 1 313 187 187 THR H H 8.202 0.01 1 314 187 187 THR N N 114.747 0.1 1 315 188 188 LYS H H 8.298 0.01 1 316 188 188 LYS N N 124.432 0.1 1 317 189 189 VAL H H 8.192 0.01 1 318 189 189 VAL N N 122.453 0.1 1 319 190 190 GLU H H 8.452 0.01 1 320 190 190 GLU N N 125.116 0.1 1 321 191 191 GLU H H 8.375 0.01 1 322 191 191 GLU N N 123.821 0.1 1 323 193 193 VAL H H 8.117 0.01 1 324 193 193 VAL N N 120.350 0.1 1 325 194 194 LYS H H 8.343 0.01 1 326 194 194 LYS N N 125.655 0.1 1 327 195 195 LYS H H 8.433 0.01 1 328 195 195 LYS N N 123.047 0.1 1 329 196 196 GLU H H 8.491 0.01 1 330 196 196 GLU N N 122.575 0.1 1 331 198 198 LYS H H 8.378 0.01 1 332 198 198 LYS N N 124.038 0.1 1 333 200 200 VAL H H 8.213 0.01 1 334 200 200 VAL N N 120.540 0.1 1 335 201 201 GLN H H 8.459 0.01 1 336 201 201 GLN N N 124.235 0.1 1 337 202 202 THR H H 8.213 0.01 1 338 202 202 THR N N 116.085 0.1 1 339 203 203 GLU H H 8.452 0.01 1 340 203 203 GLU N N 123.030 0.1 1 341 204 204 GLU H H 8.347 0.01 1 342 204 204 GLU N N 122.729 0.1 1 343 205 205 LYS H H 8.407 0.01 1 344 205 205 LYS N N 122.912 0.1 1 345 206 206 THR H H 8.213 0.01 1 346 206 206 THR N N 116.085 0.1 1 347 207 207 GLU H H 8.485 0.01 1 348 207 207 GLU N N 123.122 0.1 1 349 208 208 GLU H H 8.435 0.01 1 350 208 208 GLU N N 122.579 0.1 1 351 209 209 LYS H H 8.356 0.01 1 352 209 209 LYS N N 122.611 0.1 1 353 210 210 SER H H 8.311 0.01 1 354 210 210 SER N N 117.073 0.1 1 355 211 211 GLU H H 8.263 0.01 1 356 211 211 GLU N N 121.706 0.1 1 357 212 212 LEU H H 8.199 0.01 1 358 212 212 LEU N N 124.530 0.1 1 359 214 214 LYS H H 8.385 0.01 1 360 214 214 LYS N N 122.061 0.1 1 361 215 215 VAL H H 8.194 0.01 1 362 215 215 VAL N N 121.983 0.1 1 363 216 216 GLU H H 8.564 0.01 1 364 216 216 GLU N N 124.038 0.1 1 365 217 217 ASP H H 8.261 0.01 1 366 217 217 ASP N N 121.547 0.1 1 367 218 218 LEU H H 8.120 0.01 1 368 218 218 LEU N N 122.845 0.1 1 369 220 220 ILE H H 8.011 0.01 1 370 220 220 ILE N N 121.260 0.1 1 371 221 221 SER H H 8.308 0.01 1 372 221 221 SER N N 119.110 0.1 1 373 222 222 GLU H H 8.394 0.01 1 374 222 222 GLU N N 122.885 0.1 1 375 223 223 SER H H 8.307 0.01 1 376 223 223 SER N N 116.199 0.1 1 377 224 224 THR H H 8.036 0.01 1 378 224 224 THR N N 114.942 0.1 1 379 225 225 HIS H H 8.407 0.01 1 380 225 225 HIS N N 120.221 0.1 1 381 226 226 ASN H H 8.466 0.01 1 382 226 226 ASN N N 120.254 0.1 1 383 227 227 THR H H 8.204 0.01 1 384 227 227 THR N N 114.275 0.1 1 385 228 228 ASN H H 8.456 0.01 1 386 228 228 ASN N N 120.766 0.1 1 387 229 229 ASN H H 8.352 0.01 1 388 229 229 ASN N N 119.432 0.1 1 389 230 230 ALA H H 8.218 0.01 1 390 230 230 ALA N N 123.838 0.1 1 391 231 231 ASN H H 8.353 0.01 1 392 231 231 ASN N N 117.496 0.1 1 393 232 232 VAL H H 7.986 0.01 1 394 232 232 VAL N N 119.808 0.1 1 395 233 233 THR H H 8.269 0.01 1 396 233 233 THR N N 117.400 0.1 1 397 234 234 SER H H 8.287 0.01 1 398 234 234 SER N N 118.107 0.1 1 399 235 235 ALA H H 8.399 0.01 1 400 235 235 ALA N N 125.996 0.1 1 401 236 236 ASP H H 8.165 0.01 1 402 236 236 ASP N N 118.420 0.1 1 403 237 237 ALA H H 7.978 0.01 1 404 237 237 ALA N N 123.308 0.1 1 405 238 238 LEU H H 7.988 0.01 1 406 238 238 LEU N N 120.040 0.1 1 407 239 239 ILE H H 7.876 0.01 1 408 239 239 ILE N N 120.980 0.1 1 409 240 240 LYS H H 8.189 0.01 1 410 240 240 LYS N N 124.553 0.1 1 411 241 241 GLU H H 8.335 0.01 1 412 241 241 GLU N N 121.504 0.1 1 413 242 242 GLN H H 8.290 0.01 1 414 242 242 GLN N N 120.405 0.1 1 415 243 243 GLU H H 8.356 0.01 1 416 243 243 GLU N N 121.566 0.1 1 417 244 244 GLU H H 8.316 0.01 1 418 244 244 GLU N N 121.077 0.1 1 419 245 245 GLU H H 8.350 0.01 1 420 245 245 GLU N N 121.887 0.1 1 421 246 246 VAL H H 8.115 0.01 1 422 246 246 VAL N N 120.549 0.1 1 423 247 247 ASP H H 8.364 0.01 1 424 247 247 ASP N N 123.56 0.1 1 425 248 248 ASP H H 8.281 0.01 1 426 248 248 ASP N N 120.979 0.1 1 427 249 249 GLU H H 8.357 0.01 1 428 249 249 GLU N N 120.180 0.1 1 429 250 250 VAL H H 8.020 0.01 1 430 250 250 VAL N N 119.898 0.1 1 431 251 251 VAL H H 7.945 0.01 1 432 251 251 VAL N N 121.422 0.1 1 433 252 252 ASN H H 8.302 0.01 1 434 252 252 ASN N N 120.770 0.1 1 435 253 253 ASP H H 8.124 0.01 1 436 253 253 ASP N N 119.595 0.1 1 437 260 260 HIS H H 8.323 0.01 1 438 260 260 HIS N N 125.398 0.1 1 stop_ save_