data_27669 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Amide chemical shifts of full-length human HuR ; _BMRB_accession_number 27669 _BMRB_flat_file_name bmr27669.str _Entry_type original _Submission_date 2018-10-30 _Accession_date 2018-10-30 _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 Sattler Michael . . 2 Schlundt Andreas . . 3 Pabis Marta . . 4 Popowicz Grzegorz . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 212 "15N chemical shifts" 212 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-02-15 update BMRB 'update entry citation' 2018-11-14 original author 'original release' stop_ _Original_release_date 2018-10-31 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; HuR biological function involves RRM3-mediated dimerization and RNA binding by all three RRMs. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30418581 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Pabis Marta . . 2 Popowicz Grzegorz . . 3 Stehle Ralf . . 4 Fernandez-Ramos David . . 5 Asami Sam . . 6 Warner Lisa . . 7 Garcia-Maurino Sofia . . 8 Schlundt Andreas . . 9 Martinez-Chantar Maria . . 10 Diaz-Moreno Irene . . 11 Sattler Michael . . stop_ _Journal_abbreviation 'Nucleic Acids Res.' _Journal_name_full 'Nucleic acids research' _Journal_volume 47 _Journal_issue 2 _Journal_ISSN 1362-4962 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1011 _Page_last 1029 _Year 2019 _Details . loop_ _Keyword 'Human antigen R protein' 'Integrated structural biology' 'Multi-domain RNA binding protein' 'mRNA stability' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'HuR FL' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'HuR FL' $HuR_FL stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'mRNA binding' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_HuR_FL _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HuR_FL _Molecular_mass 36317.13 _Mol_thiol_state 'all free' loop_ _Biological_function 'RNA binding' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 329 _Mol_residue_sequence ; GPMASNGYEDHMAEDCRGDI GRTNLIVNYLPQNMTQDELR SLFSSIGEVESAKLIRDKVA GHSLGYGFVNYVTAKDAERA INTLNGLRLQSKTIKVSYAR PSSEVIKDANLYISGLPRTM TQKDVEDMFSRFGRIINSRV LVDQTTGLSRGVAFIRFDKR SEAEEAITSFNGHKPPGSSE PITVKFAANPNQNKNVALLS QLYHSPARRFGGPVHHQAQR FRFSPMGVDHMSGLSGVNVP GNASSGWCIFIYNLGQDADE GILWQMFGPFGAVTNVKVIR DFNTNKCKGFGFVTMTNYEE AAMAIASLNGYRLGDKILQV SFKTNKSHK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -2 GLY 2 -1 PRO 3 0 MET 4 1 ALA 5 2 SER 6 3 ASN 7 4 GLY 8 5 TYR 9 6 GLU 10 7 ASP 11 8 HIS 12 9 MET 13 10 ALA 14 11 GLU 15 12 ASP 16 13 CYS 17 14 ARG 18 15 GLY 19 16 ASP 20 17 ILE 21 18 GLY 22 19 ARG 23 20 THR 24 21 ASN 25 22 LEU 26 23 ILE 27 24 VAL 28 25 ASN 29 26 TYR 30 27 LEU 31 28 PRO 32 29 GLN 33 30 ASN 34 31 MET 35 32 THR 36 33 GLN 37 34 ASP 38 35 GLU 39 36 LEU 40 37 ARG 41 38 SER 42 39 LEU 43 40 PHE 44 41 SER 45 42 SER 46 43 ILE 47 44 GLY 48 45 GLU 49 46 VAL 50 47 GLU 51 48 SER 52 49 ALA 53 50 LYS 54 51 LEU 55 52 ILE 56 53 ARG 57 54 ASP 58 55 LYS 59 56 VAL 60 57 ALA 61 58 GLY 62 59 HIS 63 60 SER 64 61 LEU 65 62 GLY 66 63 TYR 67 64 GLY 68 65 PHE 69 66 VAL 70 67 ASN 71 68 TYR 72 69 VAL 73 70 THR 74 71 ALA 75 72 LYS 76 73 ASP 77 74 ALA 78 75 GLU 79 76 ARG 80 77 ALA 81 78 ILE 82 79 ASN 83 80 THR 84 81 LEU 85 82 ASN 86 83 GLY 87 84 LEU 88 85 ARG 89 86 LEU 90 87 GLN 91 88 SER 92 89 LYS 93 90 THR 94 91 ILE 95 92 LYS 96 93 VAL 97 94 SER 98 95 TYR 99 96 ALA 100 97 ARG 101 98 PRO 102 99 SER 103 100 SER 104 101 GLU 105 102 VAL 106 103 ILE 107 104 LYS 108 105 ASP 109 106 ALA 110 107 ASN 111 108 LEU 112 109 TYR 113 110 ILE 114 111 SER 115 112 GLY 116 113 LEU 117 114 PRO 118 115 ARG 119 116 THR 120 117 MET 121 118 THR 122 119 GLN 123 120 LYS 124 121 ASP 125 122 VAL 126 123 GLU 127 124 ASP 128 125 MET 129 126 PHE 130 127 SER 131 128 ARG 132 129 PHE 133 130 GLY 134 131 ARG 135 132 ILE 136 133 ILE 137 134 ASN 138 135 SER 139 136 ARG 140 137 VAL 141 138 LEU 142 139 VAL 143 140 ASP 144 141 GLN 145 142 THR 146 143 THR 147 144 GLY 148 145 LEU 149 146 SER 150 147 ARG 151 148 GLY 152 149 VAL 153 150 ALA 154 151 PHE 155 152 ILE 156 153 ARG 157 154 PHE 158 155 ASP 159 156 LYS 160 157 ARG 161 158 SER 162 159 GLU 163 160 ALA 164 161 GLU 165 162 GLU 166 163 ALA 167 164 ILE 168 165 THR 169 166 SER 170 167 PHE 171 168 ASN 172 169 GLY 173 170 HIS 174 171 LYS 175 172 PRO 176 173 PRO 177 174 GLY 178 175 SER 179 176 SER 180 177 GLU 181 178 PRO 182 179 ILE 183 180 THR 184 181 VAL 185 182 LYS 186 183 PHE 187 184 ALA 188 185 ALA 189 186 ASN 190 187 PRO 191 188 ASN 192 189 GLN 193 190 ASN 194 191 LYS 195 192 ASN 196 193 VAL 197 194 ALA 198 195 LEU 199 196 LEU 200 197 SER 201 198 GLN 202 199 LEU 203 200 TYR 204 201 HIS 205 202 SER 206 203 PRO 207 204 ALA 208 205 ARG 209 206 ARG 210 207 PHE 211 208 GLY 212 209 GLY 213 210 PRO 214 211 VAL 215 212 HIS 216 213 HIS 217 214 GLN 218 215 ALA 219 216 GLN 220 217 ARG 221 218 PHE 222 219 ARG 223 220 PHE 224 221 SER 225 222 PRO 226 223 MET 227 224 GLY 228 225 VAL 229 226 ASP 230 227 HIS 231 228 MET 232 229 SER 233 230 GLY 234 231 LEU 235 232 SER 236 233 GLY 237 234 VAL 238 235 ASN 239 236 VAL 240 237 PRO 241 238 GLY 242 239 ASN 243 240 ALA 244 241 SER 245 242 SER 246 243 GLY 247 244 TRP 248 245 CYS 249 246 ILE 250 247 PHE 251 248 ILE 252 249 TYR 253 250 ASN 254 251 LEU 255 252 GLY 256 253 GLN 257 254 ASP 258 255 ALA 259 256 ASP 260 257 GLU 261 258 GLY 262 259 ILE 263 260 LEU 264 261 TRP 265 262 GLN 266 263 MET 267 264 PHE 268 265 GLY 269 266 PRO 270 267 PHE 271 268 GLY 272 269 ALA 273 270 VAL 274 271 THR 275 272 ASN 276 273 VAL 277 274 LYS 278 275 VAL 279 276 ILE 280 277 ARG 281 278 ASP 282 279 PHE 283 280 ASN 284 281 THR 285 282 ASN 286 283 LYS 287 284 CYS 288 285 LYS 289 286 GLY 290 287 PHE 291 288 GLY 292 289 PHE 293 290 VAL 294 291 THR 295 292 MET 296 293 THR 297 294 ASN 298 295 TYR 299 296 GLU 300 297 GLU 301 298 ALA 302 299 ALA 303 300 MET 304 301 ALA 305 302 ILE 306 303 ALA 307 304 SER 308 305 LEU 309 306 ASN 310 307 GLY 311 308 TYR 312 309 ARG 313 310 LEU 314 311 GLY 315 312 ASP 316 313 LYS 317 314 ILE 318 315 LEU 319 316 GLN 320 317 VAL 321 318 SER 322 319 PHE 323 320 LYS 324 321 THR 325 322 ASN 326 323 LYS 327 324 SER 328 325 HIS 329 326 LYS 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 $HuR_FL 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 _Variant _Vector_name $HuR_FL 'recombinant technology' . Escherichia coli K12 'BL21 (DE3)' pETM44 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 $HuR_FL 20 uM '[U-15N; U-2H]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 200 mM 'natural abundance' DTT 5 mM [U-2H] EDTA 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CCPNMR_Analysis _Saveframe_category software _Name CCPNMR_Analysis _Version 2.4 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ 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_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _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 pH 7.0 . pH pressure 1 . atm 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 DSS H 1 'methyl protons' ppm 0 na direct . . . 1 urea N 15 nitrogen ppm 0 na direct . . . 0.251449530 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 'HuR FL' _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 2 5 SER H H 8.320 0.000 1 2 2 5 SER N N 115.048 0.000 1 3 5 8 TYR H H 8.031 0.000 1 4 5 8 TYR N N 119.854 0.000 1 5 6 9 GLU H H 8.320 0.000 1 6 6 9 GLU N N 122.052 0.000 1 7 7 10 ASP H H 8.226 0.000 1 8 7 10 ASP N N 120.828 0.000 1 9 8 11 HIS H H 8.251 0.000 1 10 8 11 HIS N N 119.108 0.000 1 11 10 13 ALA H H 8.188 0.000 1 12 10 13 ALA N N 124.531 0.000 1 13 11 14 GLU H H 8.346 0.000 1 14 11 14 GLU N N 119.691 0.000 1 15 12 15 ASP H H 8.338 0.000 1 16 12 15 ASP N N 120.623 0.000 1 17 13 16 CYS H H 8.277 0.000 1 18 13 16 CYS N N 119.452 0.000 1 19 14 17 ARG H H 8.316 0.000 1 20 14 17 ARG N N 122.545 0.000 1 21 16 19 ASP H H 8.263 0.000 1 22 16 19 ASP N N 120.379 0.000 1 23 17 20 ILE H H 7.948 0.000 1 24 17 20 ILE N N 119.858 0.000 1 25 18 21 GLY H H 8.464 0.000 1 26 18 21 GLY N N 111.226 0.000 1 27 19 22 ARG H H 8.087 0.000 1 28 19 22 ARG N N 120.171 0.000 1 29 21 24 ASN H H 7.884 0.000 1 30 21 24 ASN N N 120.395 0.000 1 31 22 25 LEU H H 9.747 0.000 1 32 22 25 LEU N N 127.009 0.000 1 33 23 26 ILE H H 9.216 0.000 1 34 23 26 ILE N N 120.992 0.000 1 35 24 27 VAL H H 8.707 0.000 1 36 24 27 VAL N N 127.878 0.000 1 37 25 28 ASN H H 9.186 0.000 1 38 25 28 ASN N N 123.457 0.000 1 39 26 29 TYR H H 8.392 0.000 1 40 26 29 TYR N N 114.568 0.000 1 41 27 30 LEU H H 7.944 0.000 1 42 27 30 LEU N N 114.173 0.000 1 43 30 33 ASN H H 8.274 0.000 1 44 30 33 ASN N N 112.268 0.000 1 45 31 34 MET H H 7.291 0.000 1 46 31 34 MET N N 121.615 0.000 1 47 32 35 THR H H 8.633 0.000 1 48 32 35 THR N N 118.552 0.000 1 49 33 36 GLN H H 9.226 0.000 1 50 33 36 GLN N N 121.414 0.000 1 51 34 37 ASP H H 8.405 0.000 1 52 34 37 ASP N N 117.895 0.000 1 53 35 38 GLU H H 7.691 0.000 1 54 35 38 GLU N N 121.331 0.000 1 55 36 39 LEU H H 8.219 0.000 1 56 36 39 LEU N N 122.923 0.000 1 57 37 40 ARG H H 8.339 0.000 1 58 37 40 ARG N N 118.060 0.000 1 59 38 41 SER H H 8.551 0.000 1 60 38 41 SER N N 116.000 0.000 1 61 39 42 LEU H H 8.096 0.000 1 62 39 42 LEU N N 122.715 0.000 1 63 40 43 PHE H H 7.936 0.000 1 64 40 43 PHE N N 116.614 0.000 1 65 41 44 SER H H 9.005 0.000 1 66 41 44 SER N N 121.273 0.000 1 67 42 45 SER H H 7.360 0.000 1 68 42 45 SER N N 115.656 0.000 1 69 43 46 ILE H H 7.136 0.000 1 70 43 46 ILE N N 119.925 0.000 1 71 44 47 GLY H H 7.170 0.000 1 72 44 47 GLY N N 104.400 0.000 1 73 45 48 GLU H H 8.246 0.000 1 74 45 48 GLU N N 117.110 0.000 1 75 46 49 VAL H H 8.971 0.000 1 76 46 49 VAL N N 128.948 0.000 1 77 47 50 GLU H H 9.229 0.000 1 78 47 50 GLU N N 130.641 0.000 1 79 48 51 SER H H 7.641 0.000 1 80 48 51 SER N N 109.098 0.000 1 81 49 52 ALA H H 8.147 0.000 1 82 49 52 ALA N N 122.911 0.000 1 83 51 54 LEU H H 8.746 0.000 1 84 51 54 LEU N N 126.560 0.000 1 85 52 55 ILE H H 8.249 0.000 1 86 52 55 ILE N N 127.339 0.000 1 87 53 56 ARG H H 8.095 0.000 1 88 53 56 ARG N N 124.625 0.000 1 89 54 57 ASP H H 8.586 0.000 1 90 54 57 ASP N N 121.790 0.000 1 91 56 59 VAL H H 8.107 0.000 1 92 56 59 VAL N N 119.246 0.000 1 93 57 60 ALA H H 8.935 0.000 1 94 57 60 ALA N N 122.212 0.000 1 95 58 61 GLY H H 7.732 0.000 1 96 58 61 GLY N N 105.132 0.000 1 97 59 62 HIS H H 7.523 0.000 1 98 59 62 HIS N N 117.507 0.000 1 99 60 63 SER H H 8.865 0.000 1 100 60 63 SER N N 114.235 0.000 1 101 62 65 GLY H H 9.195 0.000 1 102 62 65 GLY N N 107.792 0.000 1 103 63 66 TYR H H 7.349 0.000 1 104 63 66 TYR N N 113.175 0.000 1 105 64 67 GLY H H 8.623 0.000 1 106 64 67 GLY N N 104.632 0.000 1 107 65 68 PHE H H 8.785 0.000 1 108 65 68 PHE N N 116.361 0.000 1 109 66 69 VAL H H 8.674 0.000 1 110 66 69 VAL N N 122.831 0.000 1 111 68 71 TYR H H 8.622 0.000 1 112 68 71 TYR N N 125.794 0.000 1 113 69 72 VAL H H 7.817 0.000 1 114 69 72 VAL N N 118.292 0.000 1 115 70 73 THR H H 9.029 0.000 1 116 70 73 THR N N 109.674 0.000 1 117 72 75 LYS H H 8.427 0.000 1 118 72 75 LYS N N 118.698 0.000 1 119 73 76 ASP H H 7.377 0.000 1 120 73 76 ASP N N 119.736 0.000 1 121 74 77 ALA H H 7.047 0.000 1 122 74 77 ALA N N 122.031 0.000 1 123 75 78 GLU H H 7.743 0.000 1 124 75 78 GLU N N 116.765 0.000 1 125 76 79 ARG H H 7.741 0.000 1 126 76 79 ARG N N 119.192 0.000 1 127 77 80 ALA H H 8.543 0.000 1 128 77 80 ALA N N 124.708 0.000 1 129 78 81 ILE H H 7.857 0.000 1 130 78 81 ILE N N 119.183 0.000 1 131 79 82 ASN H H 7.721 0.000 1 132 79 82 ASN N N 114.527 0.000 1 133 80 83 THR H H 8.171 0.000 1 134 80 83 THR N N 112.019 0.000 1 135 81 84 LEU H H 8.647 0.000 1 136 81 84 LEU N N 119.115 0.000 1 137 82 85 ASN H H 7.427 0.000 1 138 82 85 ASN N N 114.757 0.000 1 139 84 87 LEU H H 7.477 0.000 1 140 84 87 LEU N N 123.519 0.000 1 141 85 88 ARG H H 8.231 0.000 1 142 85 88 ARG N N 125.754 0.000 1 143 86 89 LEU H H 8.654 0.000 1 144 86 89 LEU N N 128.421 0.000 1 145 87 90 GLN H H 9.075 0.000 1 146 87 90 GLN N N 120.892 0.000 1 147 88 91 SER H H 8.306 0.000 1 148 88 91 SER N N 113.059 0.000 1 149 89 92 LYS H H 8.174 0.000 1 150 89 92 LYS N N 122.225 0.000 1 151 90 93 THR H H 8.120 0.000 1 152 90 93 THR N N 117.450 0.000 1 153 91 94 ILE H H 8.572 0.000 1 154 91 94 ILE N N 121.177 0.000 1 155 92 95 LYS H H 8.371 0.000 1 156 92 95 LYS N N 123.374 0.000 1 157 94 97 SER H H 8.609 0.000 1 158 94 97 SER N N 118.846 0.000 1 159 95 98 TYR H H 8.475 0.000 1 160 95 98 TYR N N 119.688 0.000 1 161 96 99 ALA H H 8.767 0.000 1 162 96 99 ALA N N 125.002 0.000 1 163 99 102 SER H H 8.467 0.000 1 164 99 102 SER N N 116.262 0.000 1 165 101 104 GLU H H 8.259 0.000 1 166 101 104 GLU N N 122.212 0.000 1 167 102 105 VAL H H 8.015 0.000 1 168 102 105 VAL N N 121.159 0.000 1 169 103 106 ILE H H 8.094 0.000 1 170 103 106 ILE N N 124.142 0.000 1 171 104 107 LYS H H 8.291 0.000 1 172 104 107 LYS N N 124.626 0.000 1 173 105 108 ASP H H 7.968 0.000 1 174 105 108 ASP N N 121.666 0.000 1 175 106 109 ALA H H 8.484 0.000 1 176 106 109 ALA N N 124.940 0.000 1 177 108 111 LEU H H 9.660 0.000 1 178 108 111 LEU N N 124.891 0.000 1 179 109 112 TYR H H 9.225 0.000 1 180 109 112 TYR N N 122.435 0.000 1 181 110 113 ILE H H 8.497 0.000 1 182 110 113 ILE N N 128.645 0.000 1 183 111 114 SER H H 8.774 0.000 1 184 111 114 SER N N 117.594 0.000 1 185 115 118 ARG H H 9.108 0.000 1 186 115 118 ARG N N 123.947 0.000 1 187 116 119 THR H H 7.206 0.000 1 188 116 119 THR N N 103.896 0.000 1 189 117 120 MET H H 7.192 0.000 1 190 117 120 MET N N 119.794 0.000 1 191 118 121 THR H H 9.319 0.000 1 192 118 121 THR N N 116.595 0.000 1 193 119 122 GLN H H 9.004 0.000 1 194 119 122 GLN N N 119.977 0.000 1 195 120 123 LYS H H 8.113 0.000 1 196 120 123 LYS N N 118.848 0.000 1 197 121 124 ASP H H 7.481 0.000 1 198 121 124 ASP N N 118.427 0.000 1 199 122 125 VAL H H 8.247 0.000 1 200 122 125 VAL N N 121.408 0.000 1 201 123 126 GLU H H 8.371 0.000 1 202 123 126 GLU N N 120.200 0.000 1 203 124 127 ASP H H 8.791 0.000 1 204 124 127 ASP N N 119.185 0.000 1 205 125 128 MET H H 7.853 0.000 1 206 125 128 MET N N 119.644 0.000 1 207 126 129 PHE H H 7.993 0.000 1 208 126 129 PHE N N 113.550 0.000 1 209 127 130 SER H H 8.513 0.000 1 210 127 130 SER N N 117.636 0.000 1 211 128 131 ARG H H 7.133 0.000 1 212 128 131 ARG N N 117.602 0.000 1 213 129 132 PHE H H 7.437 0.000 1 214 129 132 PHE N N 116.679 0.000 1 215 130 133 GLY H H 7.429 0.000 1 216 130 133 GLY N N 103.957 0.000 1 217 131 134 ARG H H 8.301 0.000 1 218 131 134 ARG N N 119.853 0.000 1 219 132 135 ILE H H 8.559 0.000 1 220 132 135 ILE N N 127.601 0.000 1 221 133 136 ILE H H 8.975 0.000 1 222 133 136 ILE N N 127.489 0.000 1 223 134 137 ASN H H 7.410 0.000 1 224 134 137 ASN N N 114.352 0.000 1 225 135 138 SER H H 8.253 0.000 1 226 135 138 SER N N 115.107 0.000 1 227 136 139 ARG H H 8.651 0.000 1 228 136 139 ARG N N 118.289 0.000 1 229 137 140 VAL H H 8.703 0.000 1 230 137 140 VAL N N 124.084 0.000 1 231 138 141 LEU H H 8.599 0.000 1 232 138 141 LEU N N 128.108 0.000 1 233 139 142 VAL H H 8.320 0.000 1 234 139 142 VAL N N 118.876 0.000 1 235 140 143 ASP H H 8.680 0.000 1 236 140 143 ASP N N 125.147 0.000 1 237 141 144 GLN H H 9.159 0.000 1 238 141 144 GLN N N 126.653 0.000 1 239 142 145 THR H H 8.705 0.000 1 240 142 145 THR N N 113.553 0.000 1 241 143 146 THR H H 7.885 0.000 1 242 143 146 THR N N 109.512 0.000 1 243 144 147 GLY H H 8.490 0.000 1 244 144 147 GLY N N 110.814 0.000 1 245 145 148 LEU H H 7.796 0.000 1 246 145 148 LEU N N 119.863 0.000 1 247 146 149 SER H H 8.616 0.000 1 248 146 149 SER N N 114.989 0.000 1 249 147 150 ARG H H 8.888 0.000 1 250 147 150 ARG N N 123.125 0.000 1 251 148 151 GLY H H 9.569 0.000 1 252 148 151 GLY N N 109.569 0.000 1 253 149 152 VAL H H 6.504 0.000 1 254 149 152 VAL N N 115.474 0.000 1 255 150 153 ALA H H 9.068 0.000 1 256 150 153 ALA N N 126.114 0.000 1 257 151 154 PHE H H 8.610 0.000 1 258 151 154 PHE N N 116.525 0.000 1 259 152 155 ILE H H 8.241 0.000 1 260 152 155 ILE N N 120.016 0.000 1 261 153 156 ARG H H 8.482 0.000 1 262 153 156 ARG N N 127.087 0.000 1 263 154 157 PHE H H 8.371 0.000 1 264 154 157 PHE N N 126.482 0.000 1 265 155 158 ASP H H 8.762 0.000 1 266 155 158 ASP N N 120.218 0.000 1 267 156 159 LYS H H 8.446 0.000 1 268 156 159 LYS N N 113.297 0.000 1 269 158 161 SER H H 8.654 0.000 1 270 158 161 SER N N 112.603 0.000 1 271 159 162 GLU H H 6.890 0.000 1 272 159 162 GLU N N 123.942 0.000 1 273 160 163 ALA H H 6.782 0.000 1 274 160 163 ALA N N 119.359 0.000 1 275 161 164 GLU H H 8.604 0.000 1 276 161 164 GLU N N 115.175 0.000 1 277 162 165 GLU H H 7.484 0.000 1 278 162 165 GLU N N 120.196 0.000 1 279 163 166 ALA H H 7.302 0.000 1 280 163 166 ALA N N 122.937 0.000 1 281 164 167 ILE H H 7.656 0.000 1 282 164 167 ILE N N 117.653 0.000 1 283 165 168 THR H H 8.089 0.000 1 284 165 168 THR N N 114.579 0.000 1 285 166 169 SER H H 7.956 0.000 1 286 166 169 SER N N 113.446 0.000 1 287 167 170 PHE H H 8.108 0.000 1 288 167 170 PHE N N 116.861 0.000 1 289 168 171 ASN H H 8.679 0.000 1 290 168 171 ASN N N 118.957 0.000 1 291 169 172 GLY H H 9.378 0.000 1 292 169 172 GLY N N 117.935 0.000 1 293 170 173 HIS H H 8.055 0.000 1 294 170 173 HIS N N 121.422 0.000 1 295 171 174 LYS H H 8.042 0.000 1 296 171 174 LYS N N 126.337 0.000 1 297 174 177 GLY H H 8.727 0.000 1 298 174 177 GLY N N 112.264 0.000 1 299 175 178 SER H H 8.011 0.000 1 300 175 178 SER N N 115.213 0.000 1 301 176 179 SER H H 8.744 0.000 1 302 176 179 SER N N 117.632 0.000 1 303 177 180 GLU H H 7.880 0.000 1 304 177 180 GLU N N 121.691 0.000 1 305 179 182 ILE H H 8.560 0.000 1 306 179 182 ILE N N 118.472 0.000 1 307 181 184 VAL H H 8.715 0.000 1 308 181 184 VAL N N 124.626 0.000 1 309 182 185 LYS H H 8.722 0.000 1 310 182 185 LYS N N 122.456 0.000 1 311 183 186 PHE H H 8.604 0.000 1 312 183 186 PHE N N 119.646 0.000 1 313 185 188 ALA H H 8.564 0.000 1 314 185 188 ALA N N 122.516 0.000 1 315 245 248 CYS H H 9.045 0.000 1 316 245 248 CYS N N 124.012 0.000 1 317 246 249 ILE H H 9.759 0.000 1 318 246 249 ILE N N 131.970 0.000 1 319 247 250 PHE H H 9.459 0.000 1 320 247 250 PHE N N 127.394 0.000 1 321 250 253 ASN H H 7.642 0.000 1 322 250 253 ASN N N 116.917 0.000 1 323 251 254 LEU H H 7.269 0.000 1 324 251 254 LEU N N 113.543 0.000 1 325 252 255 GLY H H 8.419 0.000 1 326 252 255 GLY N N 107.656 0.000 1 327 254 257 ASP H H 8.579 0.000 1 328 254 257 ASP N N 116.647 0.000 1 329 255 258 ALA H H 7.178 0.000 1 330 255 258 ALA N N 123.189 0.000 1 331 256 259 ASP H H 7.095 0.000 1 332 256 259 ASP N N 116.254 0.000 1 333 257 260 GLU H H 9.637 0.000 1 334 257 260 GLU N N 118.784 0.000 1 335 258 261 GLY H H 8.571 0.000 1 336 258 261 GLY N N 106.583 0.000 1 337 272 275 ASN H H 7.305 0.000 1 338 272 275 ASN N N 117.951 0.000 1 339 273 276 VAL H H 7.904 0.000 1 340 273 276 VAL N N 119.439 0.000 1 341 275 278 VAL H H 8.609 0.000 1 342 275 278 VAL N N 122.948 0.000 1 343 276 279 ILE H H 7.907 0.000 1 344 276 279 ILE N N 126.221 0.000 1 345 277 280 ARG H H 8.632 0.000 1 346 277 280 ARG N N 126.968 0.000 1 347 278 281 ASP H H 8.468 0.000 1 348 278 281 ASP N N 121.660 0.000 1 349 280 283 ASN H H 8.679 0.000 1 350 280 283 ASN N N 115.850 0.000 1 351 281 284 THR H H 8.233 0.000 1 352 281 284 THR N N 108.055 0.000 1 353 283 286 LYS H H 7.745 0.000 1 354 283 286 LYS N N 117.043 0.000 1 355 284 287 CYS H H 8.884 0.000 1 356 284 287 CYS N N 121.562 0.000 1 357 285 288 LYS H H 9.062 0.000 1 358 285 288 LYS N N 128.375 0.000 1 359 286 289 GLY H H 8.477 0.000 1 360 286 289 GLY N N 107.139 0.000 1 361 287 290 PHE H H 6.819 0.000 1 362 287 290 PHE N N 115.598 0.000 1 363 288 291 GLY H H 8.613 0.000 1 364 288 291 GLY N N 105.621 0.000 1 365 289 292 PHE H H 8.959 0.000 1 366 289 292 PHE N N 114.594 0.000 1 367 290 293 VAL H H 8.924 0.000 1 368 290 293 VAL N N 120.478 0.000 1 369 291 294 THR H H 8.624 0.000 1 370 291 294 THR N N 120.740 0.000 1 371 292 295 MET H H 8.905 0.000 1 372 292 295 MET N N 124.397 0.000 1 373 294 297 ASN H H 9.916 0.000 1 374 294 297 ASN N N 119.875 0.000 1 375 295 298 TYR H H 9.084 0.000 1 376 295 298 TYR N N 128.176 0.000 1 377 296 299 GLU H H 9.047 0.000 1 378 296 299 GLU N N 115.514 0.000 1 379 297 300 GLU H H 7.101 0.000 1 380 297 300 GLU N N 119.261 0.000 1 381 298 301 ALA H H 7.946 0.000 1 382 298 301 ALA N N 122.477 0.000 1 383 299 302 ALA H H 8.737 0.000 1 384 299 302 ALA N N 118.239 0.000 1 385 300 303 MET H H 7.552 0.000 1 386 300 303 MET N N 118.945 0.000 1 387 301 304 ALA H H 7.971 0.000 1 388 301 304 ALA N N 125.276 0.000 1 389 302 305 ILE H H 8.046 0.000 1 390 302 305 ILE N N 117.269 0.000 1 391 303 306 ALA H H 7.629 0.000 1 392 303 306 ALA N N 118.658 0.000 1 393 305 308 LEU H H 8.070 0.000 1 394 305 308 LEU N N 118.614 0.000 1 395 306 309 ASN H H 8.073 0.000 1 396 306 309 ASN N N 117.310 0.000 1 397 307 310 GLY H H 8.612 0.000 1 398 307 310 GLY N N 117.240 0.000 1 399 308 311 TYR H H 7.972 0.000 1 400 308 311 TYR N N 123.387 0.000 1 401 309 312 ARG H H 7.577 0.000 1 402 309 312 ARG N N 127.254 0.000 1 403 310 313 LEU H H 8.515 0.000 1 404 310 313 LEU N N 130.066 0.000 1 405 311 314 GLY H H 8.954 0.000 1 406 311 314 GLY N N 118.043 0.000 1 407 313 316 LYS H H 7.708 0.000 1 408 313 316 LYS N N 119.641 0.000 1 409 314 317 ILE H H 8.132 0.000 1 410 314 317 ILE N N 120.750 0.000 1 411 315 318 LEU H H 9.204 0.000 1 412 315 318 LEU N N 128.379 0.000 1 413 316 319 GLN H H 8.169 0.000 1 414 316 319 GLN N N 121.677 0.000 1 415 317 320 VAL H H 8.847 0.000 1 416 317 320 VAL N N 125.720 0.000 1 417 318 321 SER H H 8.885 0.000 1 418 318 321 SER N N 117.940 0.000 1 419 319 322 PHE H H 8.827 0.000 1 420 319 322 PHE N N 120.142 0.000 1 421 320 323 LYS H H 9.001 0.000 1 422 320 323 LYS N N 123.221 0.000 1 423 326 329 LYS H H 7.906 0.000 1 424 326 329 LYS N N 127.329 0.000 1 stop_ save_