data_50131 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H and 15N chemical shift assignments of KL Sup35NM ; _BMRB_accession_number 50131 _BMRB_flat_file_name bmr50131.str _Entry_type original _Submission_date 2019-12-15 _Accession_date 2019-12-15 _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 Shida Toshinobu . . 2 Kamatari Yuji O. . 3 Yamaguchi Yoshiki . . 4 Kuwata Kazuo . . 5 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" 259 "15N chemical shifts" 259 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-06-23 update BMRB 'update entry citation' 2020-03-30 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 12016 'Solution SC Sup35NM' 50132 'Chimeric SC Sup35NM, 5MT-A' 50133 'Chimeric SC Sup35NM, 5MT-B' 50134 'Chimeric SC Sup35NM, 4MT-A' stop_ _Original_release_date 2019-12-16 save_ ############################# # Citation for this entry # ############################# save_citations_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Short Disordered Protein Segment Regulates Cross-Species Transmission of a Yeast Prion ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 32284601 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Shida Toshinobu . . 2 Kamatari Yuji O. . 3 Yoda Takao . . 4 Yamaguchi Yoshiki . . 5 Feig Michael . . 6 Ohhashi Yumiko . . 7 Sugita Yuji . . 8 Kuwata Kazuo . . 9 Tanaka Motomasa . . stop_ _Journal_abbreviation 'Nat. Chem. Biol.' _Journal_volume 16 _Journal_issue 7 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 756 _Page_last 765 _Year 2020 _Details . save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name 'KL Sup35NM' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'KL Sup35NM' $entity_1 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_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'Translation termination factor' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 274 _Mol_residue_sequence ; MSDQQNQDQGQGQGYNQYNQ YGQYNQYYNQQGYQGYNGQQ GAPQGYQAYQAYGQQPQGAY QGYNPQQAQGYQPYQGYNAQ QQGYNAQQGGHNNNYNKNYN NKNSYNNYNKQGYQGAQGYN AQQPTGYAAPAQSSSQGMTL KDFQNQQGSTNAAKPKPKLK LASSSGIKLVGAKKPVAPKT EKTDESKEATKTTDDNEEAQ SELPKIDDLKISEAEKPKTK ENTPSADDTSSEKTTSAKAD TSTGGANSVDALIKEQEDEV DEEVVKDHHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 SER 3 3 ASP 4 4 GLN 5 5 GLN 6 6 ASN 7 7 GLN 8 8 ASP 9 9 GLN 10 10 GLY 11 11 GLN 12 12 GLY 13 13 GLN 14 14 GLY 15 15 TYR 16 16 ASN 17 17 GLN 18 18 TYR 19 19 ASN 20 20 GLN 21 21 TYR 22 22 GLY 23 23 GLN 24 24 TYR 25 25 ASN 26 26 GLN 27 27 TYR 28 28 TYR 29 29 ASN 30 30 GLN 31 31 GLN 32 32 GLY 33 33 TYR 34 34 GLN 35 35 GLY 36 36 TYR 37 37 ASN 38 38 GLY 39 39 GLN 40 40 GLN 41 41 GLY 42 42 ALA 43 43 PRO 44 44 GLN 45 45 GLY 46 46 TYR 47 47 GLN 48 48 ALA 49 49 TYR 50 50 GLN 51 51 ALA 52 52 TYR 53 53 GLY 54 54 GLN 55 55 GLN 56 56 PRO 57 57 GLN 58 58 GLY 59 59 ALA 60 60 TYR 61 61 GLN 62 62 GLY 63 63 TYR 64 64 ASN 65 65 PRO 66 66 GLN 67 67 GLN 68 68 ALA 69 69 GLN 70 70 GLY 71 71 TYR 72 72 GLN 73 73 PRO 74 74 TYR 75 75 GLN 76 76 GLY 77 77 TYR 78 78 ASN 79 79 ALA 80 80 GLN 81 81 GLN 82 82 GLN 83 83 GLY 84 84 TYR 85 85 ASN 86 86 ALA 87 87 GLN 88 88 GLN 89 89 GLY 90 90 GLY 91 91 HIS 92 92 ASN 93 93 ASN 94 94 ASN 95 95 TYR 96 96 ASN 97 97 LYS 98 98 ASN 99 99 TYR 100 100 ASN 101 101 ASN 102 102 LYS 103 103 ASN 104 104 SER 105 105 TYR 106 106 ASN 107 107 ASN 108 108 TYR 109 109 ASN 110 110 LYS 111 111 GLN 112 112 GLY 113 113 TYR 114 114 GLN 115 115 GLY 116 116 ALA 117 117 GLN 118 118 GLY 119 119 TYR 120 120 ASN 121 121 ALA 122 122 GLN 123 123 GLN 124 124 PRO 125 125 THR 126 126 GLY 127 127 TYR 128 128 ALA 129 129 ALA 130 130 PRO 131 131 ALA 132 132 GLN 133 133 SER 134 134 SER 135 135 SER 136 136 GLN 137 137 GLY 138 138 MET 139 139 THR 140 140 LEU 141 141 LYS 142 142 ASP 143 143 PHE 144 144 GLN 145 145 ASN 146 146 GLN 147 147 GLN 148 148 GLY 149 149 SER 150 150 THR 151 151 ASN 152 152 ALA 153 153 ALA 154 154 LYS 155 155 PRO 156 156 LYS 157 157 PRO 158 158 LYS 159 159 LEU 160 160 LYS 161 161 LEU 162 162 ALA 163 163 SER 164 164 SER 165 165 SER 166 166 GLY 167 167 ILE 168 168 LYS 169 169 LEU 170 170 VAL 171 171 GLY 172 172 ALA 173 173 LYS 174 174 LYS 175 175 PRO 176 176 VAL 177 177 ALA 178 178 PRO 179 179 LYS 180 180 THR 181 181 GLU 182 182 LYS 183 183 THR 184 184 ASP 185 185 GLU 186 186 SER 187 187 LYS 188 188 GLU 189 189 ALA 190 190 THR 191 191 LYS 192 192 THR 193 193 THR 194 194 ASP 195 195 ASP 196 196 ASN 197 197 GLU 198 198 GLU 199 199 ALA 200 200 GLN 201 201 SER 202 202 GLU 203 203 LEU 204 204 PRO 205 205 LYS 206 206 ILE 207 207 ASP 208 208 ASP 209 209 LEU 210 210 LYS 211 211 ILE 212 212 SER 213 213 GLU 214 214 ALA 215 215 GLU 216 216 LYS 217 217 PRO 218 218 LYS 219 219 THR 220 220 LYS 221 221 GLU 222 222 ASN 223 223 THR 224 224 PRO 225 225 SER 226 226 ALA 227 227 ASP 228 228 ASP 229 229 THR 230 230 SER 231 231 SER 232 232 GLU 233 233 LYS 234 234 THR 235 235 THR 236 236 SER 237 237 ALA 238 238 LYS 239 239 ALA 240 240 ASP 241 241 THR 242 242 SER 243 243 THR 244 244 GLY 245 245 GLY 246 246 ALA 247 247 ASN 248 248 SER 249 249 VAL 250 250 ASP 251 251 ALA 252 252 LEU 253 253 ILE 254 254 LYS 255 255 GLU 256 256 GLN 257 257 GLU 258 258 ASP 259 259 GLU 260 260 VAL 261 261 ASP 262 262 GLU 263 263 GLU 264 264 VAL 265 265 VAL 266 266 LYS 267 267 ASP 268 268 HIS 269 269 HIS 270 270 HIS 271 271 HIS 272 272 HIS 273 273 HIS 274 274 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 AF206288 'KL Sup35' . . . . . GB AB039749 'KL Sup35' . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 'budding yeasts' 28985 Eukaryota Fungi Kluyveromyces lactis stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . Escherichia coli 'Rosetta (DE3)' plasmid 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 $entity_1 60 uM '[U-99% 15N]' MES 50 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % '[U-99% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name SPARKY _Version 3.114 loop_ _Vendor _Address _Electronic_address Goddard 'University of California, San Francisco' 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' 50 . mM pH 4.0 . pH pressure 1 . atm temperature 310.15 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_1 stop_ 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 $chem_shift_reference_1 _Mol_system_component_name 'KL Sup35NM' _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 8.809 0.01 1 2 3 3 ASP N N 121.327 0.1 1 3 4 4 GLN H H 8.429 0.01 1 4 4 4 GLN N N 120.628 0.1 1 5 5 5 GLN H H 8.402 0.01 1 6 5 5 GLN N N 120.927 0.1 1 7 6 6 ASN H H 8.413 0.01 1 8 6 6 ASN N N 119.484 0.1 1 9 7 7 GLN H H 8.388 0.01 1 10 7 7 GLN N N 120.543 0.1 1 11 8 8 ASP H H 8.413 0.01 1 12 8 8 ASP N N 120.448 0.1 1 13 9 9 GLN H H 8.276 0.01 1 14 9 9 GLN N N 120.383 0.1 1 15 10 10 GLY H H 8.403 0.01 1 16 10 10 GLY N N 109.418 0.1 1 17 11 11 GLN H H 8.231 0.01 1 18 11 11 GLN N N 119.635 0.1 1 19 12 12 GLY H H 8.446 0.01 1 20 12 12 GLY N N 109.728 0.1 1 21 13 13 GLN H H 8.247 0.01 1 22 13 13 GLN N N 119.616 0.1 1 23 14 14 GLY H H 8.391 0.01 1 24 14 14 GLY N N 109.505 0.1 1 25 15 15 TYR H H 7.990 0.01 1 26 15 15 TYR N N 120.028 0.1 1 27 16 16 ASN H H 8.157 0.01 1 28 16 16 ASN N N 120.102 0.1 1 29 17 17 GLN H H 8.231 0.01 1 30 17 17 GLN N N 120.167 0.1 1 31 18 18 TYR H H 8.067 0.01 1 32 18 18 TYR N N 119.871 0.1 1 33 19 19 ASN H H 8.132 0.01 1 34 19 19 ASN N N 119.687 0.1 1 35 20 20 GLN H H 8.223 0.01 1 36 20 20 GLN N N 120.117 0.1 1 37 21 21 TYR H H 8.087 0.01 1 38 21 21 TYR N N 119.801 0.1 1 39 22 22 GLY H H 8.099 0.01 1 40 22 22 GLY N N 109.557 0.1 1 41 23 23 GLN H H 8.079 0.01 1 42 23 23 GLN N N 119.525 0.1 1 43 24 24 TYR H H 8.176 0.01 1 44 24 24 TYR N N 120.528 0.1 1 45 25 25 ASN H H 8.299 0.01 1 46 25 25 ASN N N 120.559 0.1 1 47 26 26 GLN H H 8.185 0.01 1 48 26 26 GLN N N 120.152 0.1 1 49 27 27 TYR H H 8.017 0.01 1 50 27 27 TYR N N 119.794 0.1 1 51 28 28 TYR H H 7.822 0.01 1 52 28 28 TYR N N 120.415 0.1 1 53 29 29 ASN H H 8.115 0.01 1 54 29 29 ASN N N 119.933 0.1 1 55 30 30 GLN H H 8.137 0.01 1 56 30 30 GLN N N 120.201 0.1 1 57 31 31 GLN H H 8.295 0.01 1 58 31 31 GLN N N 120.215 0.1 1 59 32 32 GLY H H 8.232 0.01 1 60 32 32 GLY N N 109.262 0.1 1 61 33 33 TYR H H 7.984 0.01 1 62 33 33 TYR N N 120.184 0.1 1 63 34 34 GLN H H 8.289 0.01 1 64 34 34 GLN N N 122.621 0.1 1 65 35 35 GLY H H 7.727 0.01 1 66 35 35 GLY N N 108.820 0.1 1 67 36 36 TYR H H 8.002 0.01 1 68 36 36 TYR N N 120.028 0.1 1 69 37 37 ASN H H 8.353 0.01 1 70 37 37 ASN N N 121.566 0.1 1 71 38 38 GLY H H 7.735 0.01 1 72 38 38 GLY N N 108.421 0.1 1 73 39 39 GLN H H 8.129 0.01 1 74 39 39 GLN N N 119.553 0.1 1 75 40 40 GLN H H 8.392 0.01 1 76 40 40 GLN N N 121.187 0.1 1 77 41 41 GLY H H 8.316 0.01 1 78 41 41 GLY N N 109.988 0.1 1 79 42 42 ALA H H 8.013 0.01 1 80 42 42 ALA N N 124.473 0.1 1 81 44 44 GLN H H 8.402 0.01 1 82 44 44 GLN N N 120.004 0.1 1 83 45 45 GLY H H 8.333 0.01 1 84 45 45 GLY N N 109.732 0.1 1 85 46 46 TYR H H 8.005 0.01 1 86 46 46 TYR N N 120.223 0.1 1 87 47 47 GLN H H 8.147 0.01 1 88 47 47 GLN N N 122.192 0.1 1 89 48 48 ALA H H 8.045 0.01 1 90 48 48 ALA N N 124.409 0.1 1 91 49 49 TYR H H 7.924 0.01 1 92 49 49 TYR N N 118.481 0.1 1 93 50 50 GLN H H 8.002 0.01 1 94 50 50 GLN N N 121.755 0.1 1 95 51 51 ALA H H 8.022 0.01 1 96 51 51 ALA N N 124.505 0.1 1 97 52 52 TYR H H 7.997 0.01 1 98 52 52 TYR N N 118.825 0.1 1 99 53 53 GLY H H 8.189 0.01 1 100 53 53 GLY N N 110.176 0.1 1 101 54 54 GLN H H 8.062 0.01 1 102 54 54 GLN N N 119.376 0.1 1 103 55 55 GLN H H 8.360 0.01 1 104 55 55 GLN N N 122.302 0.1 1 105 57 57 GLN H H 8.453 0.01 1 106 57 57 GLN N N 120.379 0.1 1 107 58 58 GLY H H 8.323 0.01 1 108 58 58 GLY N N 109.866 0.1 1 109 59 59 ALA H H 8.035 0.01 1 110 59 59 ALA N N 123.436 0.1 1 111 60 60 TYR H H 8.069 0.01 1 112 60 60 TYR N N 119.269 0.1 1 113 61 61 GLN H H 8.230 0.01 1 114 61 61 GLN N N 122.568 0.1 1 115 62 62 GLY H H 7.784 0.01 1 116 62 62 GLY N N 109.093 0.1 1 117 63 63 TYR H H 7.956 0.01 1 118 63 63 TYR N N 120.178 0.1 1 119 64 64 ASN H H 8.217 0.01 1 120 64 64 ASN N N 123.040 0.1 1 121 66 66 GLN H H 8.133 0.01 1 122 66 66 GLN N N 118.210 0.1 1 123 67 67 GLN H H 7.959 0.01 1 124 67 67 GLN N N 120.032 0.1 1 125 68 68 ALA H H 8.129 0.01 1 126 68 68 ALA N N 124.553 0.1 1 127 69 69 GLN H H 8.234 0.01 1 128 69 69 GLN N N 118.972 0.1 1 129 70 70 GLY H H 8.281 0.01 1 130 70 70 GLY N N 109.456 0.1 1 131 71 71 TYR H H 7.968 0.01 1 132 71 71 TYR N N 120.260 0.1 1 133 72 72 GLN H H 8.038 0.01 1 134 72 72 GLN N N 124.057 0.1 1 135 74 74 TYR H H 7.945 0.01 1 136 74 74 TYR N N 119.011 0.1 1 137 75 75 GLN H H 8.187 0.01 1 138 75 75 GLN N N 122.308 0.1 1 139 76 76 GLY H H 7.812 0.01 1 140 76 76 GLY N N 109.099 0.1 1 141 77 77 TYR H H 7.946 0.01 1 142 77 77 TYR N N 120.171 0.1 1 143 78 78 ASN H H 8.248 0.01 1 144 78 78 ASN N N 121.260 0.1 1 145 79 79 ALA H H 8.115 0.01 1 146 79 79 ALA N N 124.370 0.1 1 147 80 80 GLN H H 8.180 0.01 1 148 80 80 GLN N N 118.019 0.1 1 149 81 81 GLN H H 8.123 0.01 1 150 81 81 GLN N N 120.314 0.1 1 151 82 82 GLN H H 8.297 0.01 1 152 82 82 GLN N N 120.642 0.1 1 153 83 83 GLY H H 8.306 0.01 1 154 83 83 GLY N N 109.449 0.1 1 155 84 84 TYR H H 8.019 0.01 1 156 84 84 TYR N N 120.345 0.1 1 157 85 85 ASN H H 8.252 0.01 1 158 85 85 ASN N N 121.052 0.1 1 159 86 86 ALA H H 8.106 0.01 1 160 86 86 ALA N N 124.362 0.1 1 161 87 87 GLN H H 8.203 0.01 1 162 87 87 GLN N N 118.317 0.1 1 163 88 88 GLN H H 8.203 0.01 1 164 88 88 GLN N N 120.570 0.1 1 165 89 89 GLY H H 8.334 0.01 1 166 89 89 GLY N N 109.579 0.1 1 167 90 90 GLY H H 8.193 0.01 1 168 90 90 GLY N N 108.155 0.1 1 169 91 91 HIS H H 8.358 0.01 1 170 91 91 HIS N N 117.797 0.1 1 171 92 92 ASN H H 8.462 0.01 1 172 92 92 ASN N N 119.618 0.1 1 173 93 93 ASN H H 8.430 0.01 1 174 93 93 ASN N N 119.353 0.1 1 175 94 94 ASN H H 8.334 0.01 1 176 94 94 ASN N N 118.712 0.1 1 177 95 95 TYR H H 8.044 0.01 1 178 95 95 TYR N N 120.362 0.1 1 179 96 96 ASN H H 8.197 0.01 1 180 96 96 ASN N N 120.183 0.1 1 181 97 97 LYS H H 8.107 0.01 1 182 97 97 LYS N N 121.489 0.1 1 183 98 98 ASN H H 8.249 0.01 1 184 98 98 ASN N N 118.519 0.1 1 185 99 99 TYR H H 7.994 0.01 1 186 99 99 TYR N N 120.666 0.1 1 187 100 100 ASN H H 8.247 0.01 1 188 100 100 ASN N N 120.099 0.1 1 189 101 101 ASN H H 8.202 0.01 1 190 101 101 ASN N N 119.261 0.1 1 191 102 102 LYS H H 8.233 0.01 1 192 102 102 LYS N N 121.243 0.1 1 193 103 103 ASN H H 8.312 0.01 1 194 103 103 ASN N N 118.848 0.1 1 195 104 104 SER H H 8.079 0.01 1 196 104 104 SER N N 115.705 0.1 1 197 105 105 TYR H H 8.100 0.01 1 198 105 105 TYR N N 121.669 0.1 1 199 106 106 ASN H H 8.190 0.01 1 200 106 106 ASN N N 119.834 0.1 1 201 107 107 ASN H H 8.156 0.01 1 202 107 107 ASN N N 118.776 0.1 1 203 108 108 TYR H H 8.035 0.01 1 204 108 108 TYR N N 120.125 0.1 1 205 109 109 ASN H H 8.197 0.01 1 206 109 109 ASN N N 119.885 0.1 1 207 110 110 LYS H H 8.097 0.01 1 208 110 110 LYS N N 121.426 0.1 1 209 111 111 GLN H H 8.284 0.01 1 210 111 111 GLN N N 120.432 0.1 1 211 112 112 GLY H H 8.287 0.01 1 212 112 112 GLY N N 109.651 0.1 1 213 113 113 TYR H H 8.031 0.01 1 214 113 113 TYR N N 120.321 0.1 1 215 114 114 GLN H H 8.324 0.01 1 216 114 114 GLN N N 123.010 0.1 1 217 115 115 GLY H H 7.735 0.01 1 218 115 115 GLY N N 109.152 0.1 1 219 116 116 ALA H H 8.132 0.01 1 220 116 116 ALA N N 123.570 0.1 1 221 117 117 GLN H H 8.344 0.01 1 222 117 117 GLN N N 119.130 0.1 1 223 118 118 GLY H H 8.269 0.01 1 224 118 118 GLY N N 109.456 0.1 1 225 119 119 TYR H H 8.018 0.01 1 226 119 119 TYR N N 120.273 0.1 1 227 120 120 ASN H H 8.262 0.01 1 228 120 120 ASN N N 121.351 0.1 1 229 121 121 ALA H H 8.079 0.01 1 230 121 121 ALA N N 124.381 0.1 1 231 122 122 GLN H H 8.181 0.01 1 232 122 122 GLN N N 118.528 0.1 1 233 123 123 GLN H H 8.203 0.01 1 234 123 123 GLN N N 122.125 0.1 1 235 125 125 THR H H 8.173 0.01 1 236 125 125 THR N N 113.874 0.1 1 237 126 126 GLY H H 8.317 0.01 1 238 126 126 GLY N N 110.875 0.1 1 239 127 127 TYR H H 7.978 0.01 1 240 127 127 TYR N N 120.262 0.1 1 241 128 128 ALA H H 8.026 0.01 1 242 128 128 ALA N N 126.593 0.1 1 243 129 129 ALA H H 8.093 0.01 1 244 129 129 ALA N N 125.084 0.1 1 245 131 131 ALA H H 8.339 0.01 1 246 131 131 ALA N N 124.106 0.1 1 247 132 132 GLN H H 8.344 0.01 1 248 132 132 GLN N N 119.371 0.1 1 249 133 133 SER H H 8.338 0.01 1 250 133 133 SER N N 116.800 0.1 1 251 134 134 SER H H 8.374 0.01 1 252 134 134 SER N N 117.655 0.1 1 253 135 135 SER H H 8.343 0.01 1 254 135 135 SER N N 117.588 0.1 1 255 136 136 GLN H H 8.322 0.01 1 256 136 136 GLN N N 121.849 0.1 1 257 137 137 GLY H H 8.368 0.01 1 258 137 137 GLY N N 109.521 0.1 1 259 138 138 MET H H 8.158 0.01 1 260 138 138 MET N N 119.903 0.1 1 261 139 139 THR H H 8.266 0.01 1 262 139 139 THR N N 115.599 0.1 1 263 140 140 LEU H H 8.247 0.01 1 264 140 140 LEU N N 124.363 0.1 1 265 141 141 LYS H H 8.173 0.01 1 266 141 141 LYS N N 121.137 0.1 1 267 142 142 ASP H H 8.131 0.01 1 268 142 142 ASP N N 119.881 0.1 1 269 143 143 PHE H H 8.093 0.01 1 270 143 143 PHE N N 120.271 0.1 1 271 144 144 GLN H H 8.245 0.01 1 272 144 144 GLN N N 120.594 0.1 1 273 145 145 ASN H H 8.257 0.01 1 274 145 145 ASN N N 118.952 0.1 1 275 146 146 GLN H H 8.326 0.01 1 276 146 146 GLN N N 120.616 0.1 1 277 147 147 GLN H H 8.373 0.01 1 278 147 147 GLN N N 120.874 0.1 1 279 148 148 GLY H H 8.368 0.01 1 280 148 148 GLY N N 109.740 0.1 1 281 149 149 SER H H 8.204 0.01 1 282 149 149 SER N N 115.491 0.1 1 283 150 150 THR H H 8.217 0.01 1 284 150 150 THR N N 115.580 0.1 1 285 151 151 ASN H H 8.386 0.01 1 286 151 151 ASN N N 120.910 0.1 1 287 152 152 ALA H H 8.128 0.01 1 288 152 152 ALA N N 124.391 0.1 1 289 153 153 ALA H H 8.122 0.01 1 290 153 153 ALA N N 122.965 0.1 1 291 154 154 LYS H H 8.122 0.01 1 292 154 154 LYS N N 121.897 0.1 1 293 156 156 LYS H H 8.396 0.01 1 294 156 156 LYS N N 123.173 0.1 1 295 158 158 LYS H H 8.373 0.01 1 296 158 158 LYS N N 121.984 0.1 1 297 159 159 LEU H H 8.154 0.01 1 298 159 159 LEU N N 123.955 0.1 1 299 160 160 LYS H H 8.338 0.01 1 300 160 160 LYS N N 123.305 0.1 1 301 161 161 LEU H H 8.214 0.01 1 302 161 161 LEU N N 124.506 0.1 1 303 162 162 ALA H H 8.356 0.01 1 304 162 162 ALA N N 125.447 0.1 1 305 163 163 SER H H 8.268 0.01 1 306 163 163 SER N N 115.047 0.1 1 307 164 164 SER H H 8.368 0.01 1 308 164 164 SER N N 117.774 0.1 1 309 165 165 SER H H 8.338 0.01 1 310 165 165 SER N N 117.638 0.1 1 311 166 166 GLY H H 8.369 0.01 1 312 166 166 GLY N N 110.683 0.1 1 313 167 167 ILE H H 7.901 0.01 1 314 167 167 ILE N N 120.198 0.1 1 315 168 168 LYS H H 8.345 0.01 1 316 168 168 LYS N N 125.817 0.1 1 317 169 169 LEU H H 8.246 0.01 1 318 169 169 LEU N N 124.620 0.1 1 319 170 170 VAL H H 8.121 0.01 1 320 170 170 VAL N N 121.550 0.1 1 321 171 171 GLY H H 8.421 0.01 1 322 171 171 GLY N N 112.580 0.1 1 323 172 172 ALA H H 8.096 0.01 1 324 172 172 ALA N N 123.821 0.1 1 325 173 173 LYS H H 8.266 0.01 1 326 173 173 LYS N N 120.940 0.1 1 327 174 174 LYS H H 8.284 0.01 1 328 174 174 LYS N N 124.374 0.1 1 329 176 176 VAL H H 8.169 0.01 1 330 176 176 VAL N N 120.734 0.1 1 331 177 177 ALA H H 8.334 0.01 1 332 177 177 ALA N N 129.420 0.1 1 333 179 179 LYS H H 8.398 0.01 1 334 179 179 LYS N N 121.514 0.1 1 335 180 180 THR H H 8.134 0.01 1 336 180 180 THR N N 115.361 0.1 1 337 181 181 GLU H H 8.393 0.01 1 338 181 181 GLU N N 123.284 0.1 1 339 182 182 LYS H H 8.415 0.01 1 340 182 182 LYS N N 122.743 0.1 1 341 183 183 THR H H 8.192 0.01 1 342 183 183 THR N N 115.540 0.1 1 343 184 184 ASP H H 8.416 0.01 1 344 184 184 ASP N N 122.298 0.1 1 345 185 185 GLU H H 8.408 0.01 1 346 185 185 GLU N N 121.812 0.1 1 347 186 186 SER H H 8.361 0.01 1 348 186 186 SER N N 116.651 0.1 1 349 187 187 LYS H H 8.203 0.01 1 350 187 187 LYS N N 122.722 0.1 1 351 188 188 GLU H H 8.193 0.01 1 352 188 188 GLU N N 120.710 0.1 1 353 189 189 ALA H H 8.258 0.01 1 354 189 189 ALA N N 124.935 0.1 1 355 190 190 THR H H 8.047 0.01 1 356 190 190 THR N N 113.444 0.1 1 357 191 191 LYS H H 8.301 0.01 1 358 191 191 LYS N N 123.906 0.1 1 359 192 192 THR H H 8.275 0.01 1 360 192 192 THR N N 115.636 0.1 1 361 193 193 THR H H 8.133 0.01 1 362 193 193 THR N N 115.480 0.1 1 363 194 194 ASP H H 8.374 0.01 1 364 194 194 ASP N N 121.899 0.1 1 365 195 195 ASP H H 8.355 0.01 1 366 195 195 ASP N N 120.299 0.1 1 367 196 196 ASN H H 8.388 0.01 1 368 196 196 ASN N N 119.020 0.1 1 369 197 197 GLU H H 8.290 0.01 1 370 197 197 GLU N N 120.311 0.1 1 371 198 198 GLU H H 8.287 0.01 1 372 198 198 GLU N N 120.633 0.1 1 373 199 199 ALA H H 8.195 0.01 1 374 199 199 ALA N N 124.398 0.1 1 375 200 200 GLN H H 8.260 0.01 1 376 200 200 GLN N N 118.864 0.1 1 377 201 201 SER H H 8.203 0.01 1 378 201 201 SER N N 116.163 0.1 1 379 202 202 GLU H H 8.241 0.01 1 380 202 202 GLU N N 121.767 0.1 1 381 203 203 LEU H H 8.090 0.01 1 382 203 203 LEU N N 124.204 0.1 1 383 205 205 LYS H H 8.340 0.01 1 384 205 205 LYS N N 121.804 0.1 1 385 206 206 ILE H H 8.136 0.01 1 386 206 206 ILE N N 121.852 0.1 1 387 207 207 ASP H H 8.403 0.01 1 388 207 207 ASP N N 123.282 0.1 1 389 208 208 ASP H H 8.242 0.01 1 390 208 208 ASP N N 120.526 0.1 1 391 209 209 LEU H H 8.120 0.01 1 392 209 209 LEU N N 122.241 0.1 1 393 210 210 LYS H H 8.167 0.01 1 394 210 210 LYS N N 121.208 0.1 1 395 211 211 ILE H H 7.950 0.01 1 396 211 211 ILE N N 121.028 0.1 1 397 212 212 SER H H 8.273 0.01 1 398 212 212 SER N N 118.944 0.1 1 399 213 213 GLU H H 8.331 0.01 1 400 213 213 GLU N N 122.444 0.1 1 401 214 214 ALA H H 8.119 0.01 1 402 214 214 ALA N N 123.768 0.1 1 403 215 215 GLU H H 8.102 0.01 1 404 215 215 GLU N N 118.882 0.1 1 405 216 216 LYS H H 8.146 0.01 1 406 216 216 LYS N N 123.613 0.1 1 407 218 218 LYS H H 8.483 0.01 1 408 218 218 LYS N N 122.012 0.1 1 409 219 219 THR H H 8.095 0.01 1 410 219 219 THR N N 115.237 0.1 1 411 220 220 LYS H H 8.364 0.01 1 412 220 220 LYS N N 123.510 0.1 1 413 221 221 GLU H H 8.403 0.01 1 414 221 221 GLU N N 121.733 0.1 1 415 222 222 ASN H H 8.523 0.01 1 416 222 222 ASN N N 120.107 0.1 1 417 223 223 THR H H 8.072 0.01 1 418 223 223 THR N N 116.679 0.1 1 419 225 225 SER H H 8.384 0.01 1 420 225 225 SER N N 116.284 0.1 1 421 226 226 ALA H H 8.360 0.01 1 422 226 226 ALA N N 125.980 0.1 1 423 227 227 ASP H H 8.268 0.01 1 424 227 227 ASP N N 118.378 0.1 1 425 228 228 ASP H H 8.283 0.01 1 426 228 228 ASP N N 120.579 0.1 1 427 229 229 THR H H 8.197 0.01 1 428 229 229 THR N N 114.181 0.1 1 429 230 230 SER H H 8.333 0.01 1 430 230 230 SER N N 117.891 0.1 1 431 231 231 SER H H 8.269 0.01 1 432 231 231 SER N N 117.509 0.1 1 433 232 232 GLU H H 8.247 0.01 1 434 232 232 GLU N N 121.891 0.1 1 435 233 233 LYS H H 8.254 0.01 1 436 233 233 LYS N N 121.829 0.1 1 437 234 234 THR H H 8.136 0.01 1 438 234 234 THR N N 114.908 0.1 1 439 235 235 THR H H 8.180 0.01 1 440 235 235 THR N N 116.046 0.1 1 441 236 236 SER H H 8.280 0.01 1 442 236 236 SER N N 118.109 0.1 1 443 237 237 ALA H H 8.280 0.01 1 444 237 237 ALA N N 126.141 0.1 1 445 238 238 LYS H H 8.188 0.01 1 446 238 238 LYS N N 120.561 0.1 1 447 239 239 ALA H H 8.260 0.01 1 448 239 239 ALA N N 125.248 0.1 1 449 240 240 ASP H H 8.376 0.01 1 450 240 240 ASP N N 119.509 0.1 1 451 241 241 THR H H 8.111 0.01 1 452 241 241 THR N N 113.992 0.1 1 453 242 242 SER H H 8.415 0.01 1 454 242 242 SER N N 118.218 0.1 1 455 243 243 THR H H 8.169 0.01 1 456 243 243 THR N N 115.034 0.1 1 457 244 244 GLY H H 8.366 0.01 1 458 244 244 GLY N N 111.008 0.1 1 459 245 245 GLY H H 8.255 0.01 1 460 245 245 GLY N N 108.824 0.1 1 461 246 246 ALA H H 8.254 0.01 1 462 246 246 ALA N N 123.868 0.1 1 463 247 247 ASN H H 8.414 0.01 1 464 247 247 ASN N N 117.413 0.1 1 465 248 248 SER H H 8.155 0.01 1 466 248 248 SER N N 116.038 0.1 1 467 249 249 VAL H H 8.143 0.01 1 468 249 249 VAL N N 121.382 0.1 1 469 250 250 ASP H H 8.281 0.01 1 470 250 250 ASP N N 122.012 0.1 1 471 251 251 ALA H H 8.078 0.01 1 472 251 251 ALA N N 123.672 0.1 1 473 252 252 LEU H H 7.998 0.01 1 474 252 252 LEU N N 119.865 0.1 1 475 253 253 ILE H H 7.865 0.01 1 476 253 253 ILE N N 120.638 0.1 1 477 254 254 LYS H H 8.114 0.01 1 478 254 254 LYS N N 123.541 0.1 1 479 255 255 GLU H H 8.190 0.01 1 480 255 255 GLU N N 120.396 0.1 1 481 256 256 GLN H H 8.236 0.01 1 482 256 256 GLN N N 120.225 0.1 1 483 257 257 GLU H H 8.312 0.01 1 484 257 257 GLU N N 120.679 0.1 1 485 258 258 ASP H H 8.345 0.01 1 486 258 258 ASP N N 119.808 0.1 1 487 259 259 GLU H H 8.163 0.01 1 488 259 259 GLU N N 120.349 0.1 1 489 260 260 VAL H H 8.008 0.01 1 490 260 260 VAL N N 119.861 0.1 1 491 261 261 ASP H H 8.284 0.01 1 492 261 261 ASP N N 121.932 0.1 1 493 262 262 GLU H H 8.271 0.01 1 494 262 262 GLU N N 120.566 0.1 1 495 263 263 GLU H H 8.251 0.01 1 496 263 263 GLU N N 119.727 0.1 1 497 264 264 VAL H H 7.897 0.01 1 498 264 264 VAL N N 119.358 0.1 1 499 265 265 VAL H H 7.854 0.01 1 500 265 265 VAL N N 121.317 0.1 1 501 266 266 LYS H H 8.139 0.01 1 502 266 266 LYS N N 122.781 0.1 1 503 267 267 ASP H H 8.022 0.01 1 504 267 267 ASP N N 119.116 0.1 1 505 268 268 HIS H H 8.455 0.01 1 506 268 268 HIS N N 118.396 0.1 1 507 269 269 HIS H H 8.483 0.01 1 508 269 269 HIS N N 117.212 0.1 1 509 270 270 HIS H H 8.432 0.01 1 510 270 270 HIS N N 118.363 0.1 1 511 271 271 HIS H H 8.642 0.01 1 512 271 271 HIS N N 119.743 0.1 1 513 272 272 HIS H H 8.733 0.01 1 514 272 272 HIS N N 120.392 0.1 1 515 273 273 HIS H H 8.581 0.01 1 516 273 273 HIS N N 120.603 0.1 1 517 274 274 HIS H H 8.384 0.01 1 518 274 274 HIS N N 125.574 0.1 1 stop_ save_