data_27670 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; HuR GGS ; _BMRB_accession_number 27670 _BMRB_flat_file_name bmr27670.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 'Amide chemical shifts of full-length human HuR with linker region (186-239) replaced with 18 GGS repeats.' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Pabis Marta . . 2 Popowicz Grzegorz . . 3 Schlundt Andreas . . 4 Sattler Michael . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 220 "15N chemical shifts" 220 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 GGS' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'HuR GGS' $HuR_GGS stop_ _System_molecular_weight 34020.76 _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_GGS _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HuR_GGS _Molecular_mass 34020.76 _Mol_thiol_state 'all free' loop_ _Biological_function 'mRNA binding' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 329 _Mol_residue_sequence ; GAMASNGYEDHMAEDCRGDI GRTNLIVNYLPQNMTQDELR SLFSSIGEVESAKLIRDKVA GHSLGYGFVNYVTAKDAERA INTLNGLRLQSKTIKVSYAR PSSEVIKDANLYISGLPRTM TQKDVEDMFSRFGRIINSRV LVDQTTGLSRGVAFIRFDKR SEAEEAITSFNGHKPPGSSE PITVKFAATGGSGGSGGSGG SGGSGGSGGSGGSGGSGGSG GSGGSGGSGGSGGSGGSGGS GGASSGWCIFIYNLGQDADE GILWQMFGPFGAVTNVKVIR DFNTNKCKGFGFVTMTNYEE AAMAIASLNGYRLGDKILQV SFKTNKSHK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -2 GLY 2 -1 ALA 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 THR 190 187 GLY 191 188 GLY 192 189 SER 193 190 GLY 194 191 GLY 195 192 SER 196 193 GLY 197 194 GLY 198 195 SER 199 196 GLY 200 197 GLY 201 198 SER 202 199 GLY 203 200 GLY 204 201 SER 205 202 GLY 206 203 GLY 207 204 SER 208 205 GLY 209 206 GLY 210 207 SER 211 208 GLY 212 209 GLY 213 210 SER 214 211 GLY 215 212 GLY 216 213 SER 217 214 GLY 218 215 GLY 219 216 SER 220 217 GLY 221 218 GLY 222 219 SER 223 220 GLY 224 221 GLY 225 222 SER 226 223 GLY 227 224 GLY 228 225 SER 229 226 GLY 230 227 GLY 231 228 SER 232 229 GLY 233 230 GLY 234 231 SER 235 232 GLY 236 233 GLY 237 234 SER 238 235 GLY 239 236 GLY 240 237 SER 241 238 GLY 242 239 GLY 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_GGS 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_GGS 'recombinant technology' . Escherichia coli K12 'BL21 (DE3)' pETM11 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_GGS 70 uM [U-15N] 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 200 mM 'natural abundance' DTT 5 mM 'natural abundance' 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 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_ 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_ ######################### # 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 indirect . . . 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 GGS' _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 8.337 0.000 1 2 2 5 SER N N 115.253 0.000 1 3 5 8 TYR H H 8.033 0.000 1 4 5 8 TYR N N 119.976 0.000 1 5 6 9 GLU H H 8.345 0.000 1 6 6 9 GLU N N 122.215 0.000 1 7 7 10 ASP H H 8.233 0.000 1 8 7 10 ASP N N 120.966 0.000 1 9 8 11 HIS H H 8.231 0.000 1 10 8 11 HIS N N 119.346 0.000 1 11 10 13 ALA H H 8.184 0.000 1 12 10 13 ALA N N 124.762 0.000 1 13 11 14 GLU H H 8.368 0.000 1 14 11 14 GLU N N 119.868 0.000 1 15 12 15 ASP H H 8.349 0.000 1 16 12 15 ASP N N 120.769 0.000 1 17 13 16 CYS H H 8.278 0.000 1 18 13 16 CYS N N 119.564 0.000 1 19 14 17 ARG H H 8.318 0.000 1 20 14 17 ARG N N 122.659 0.000 1 21 16 19 ASP H H 8.274 0.000 1 22 16 19 ASP N N 120.480 0.000 1 23 17 20 ILE H H 7.953 0.000 1 24 17 20 ILE N N 119.871 0.000 1 25 18 21 GLY H H 8.484 0.000 1 26 18 21 GLY N N 111.423 0.000 1 27 19 22 ARG H H 8.094 0.000 1 28 19 22 ARG N N 120.273 0.000 1 29 21 24 ASN H H 7.882 0.000 1 30 21 24 ASN N N 120.588 0.000 1 31 22 25 LEU H H 9.755 0.000 1 32 22 25 LEU N N 127.256 0.000 1 33 23 26 ILE H H 9.229 0.000 1 34 23 26 ILE N N 121.156 0.000 1 35 24 27 VAL H H 8.712 0.000 1 36 24 27 VAL N N 128.199 0.000 1 37 25 28 ASN H H 9.193 0.000 1 38 25 28 ASN N N 123.729 0.000 1 39 26 29 TYR H H 8.430 0.000 1 40 26 29 TYR N N 114.697 0.000 1 41 27 30 LEU H H 7.968 0.000 1 42 27 30 LEU N N 114.307 0.000 1 43 30 33 ASN H H 8.279 0.000 1 44 30 33 ASN N N 112.418 0.000 1 45 31 34 MET H H 7.300 0.000 1 46 31 34 MET N N 121.727 0.000 1 47 32 35 THR H H 8.622 0.000 1 48 32 35 THR N N 118.695 0.000 1 49 33 36 GLN H H 9.251 0.000 1 50 33 36 GLN N N 121.667 0.000 1 51 34 37 ASP H H 8.421 0.000 1 52 34 37 ASP N N 118.115 0.000 1 53 35 38 GLU H H 7.690 0.000 1 54 35 38 GLU N N 121.549 0.000 1 55 36 39 LEU H H 8.234 0.000 1 56 36 39 LEU N N 123.086 0.000 1 57 37 40 ARG H H 8.362 0.000 1 58 37 40 ARG N N 118.214 0.000 1 59 38 41 SER H H 8.564 0.000 1 60 38 41 SER N N 116.225 0.000 1 61 39 42 LEU H H 8.113 0.000 1 62 39 42 LEU N N 122.808 0.000 1 63 40 43 PHE H H 7.955 0.000 1 64 40 43 PHE N N 116.869 0.000 1 65 41 44 SER H H 9.009 0.000 1 66 41 44 SER N N 121.446 0.000 1 67 42 45 SER H H 7.374 0.000 1 68 42 45 SER N N 115.867 0.000 1 69 43 46 ILE H H 7.147 0.000 1 70 43 46 ILE N N 120.033 0.000 1 71 44 47 GLY H H 7.195 0.000 1 72 44 47 GLY N N 104.740 0.000 1 73 45 48 GLU H H 8.264 0.000 1 74 45 48 GLU N N 117.266 0.000 1 75 46 49 VAL H H 8.983 0.000 1 76 46 49 VAL N N 129.148 0.000 1 77 47 50 GLU H H 9.254 0.000 1 78 47 50 GLU N N 130.939 0.000 1 79 48 51 SER H H 7.660 0.000 1 80 48 51 SER N N 109.277 0.000 1 81 49 52 ALA H H 8.158 0.000 1 82 49 52 ALA N N 123.132 0.000 1 83 51 54 LEU H H 8.746 0.000 1 84 51 54 LEU N N 126.716 0.000 1 85 52 55 ILE H H 8.242 0.000 1 86 52 55 ILE N N 127.490 0.000 1 87 53 56 ARG H H 8.103 0.000 1 88 53 56 ARG N N 124.895 0.000 1 89 54 57 ASP H H 8.596 0.000 1 90 54 57 ASP N N 121.972 0.000 1 91 56 59 VAL H H 8.122 0.000 1 92 56 59 VAL N N 119.287 0.000 1 93 57 60 ALA H H 8.942 0.000 1 94 57 60 ALA N N 122.331 0.000 1 95 58 61 GLY H H 7.739 0.000 1 96 58 61 GLY N N 105.172 0.000 1 97 59 62 HIS H H 7.492 0.000 1 98 59 62 HIS N N 117.588 0.000 1 99 60 63 SER H H 8.886 0.000 1 100 60 63 SER N N 114.324 0.000 1 101 61 64 LEU H H 9.075 0.000 1 102 61 64 LEU N N 125.648 0.000 1 103 62 65 GLY H H 9.225 0.000 1 104 62 65 GLY N N 107.856 0.000 1 105 63 66 TYR H H 7.344 0.000 1 106 63 66 TYR N N 113.195 0.000 1 107 64 67 GLY H H 8.631 0.000 1 108 64 67 GLY N N 104.926 0.000 1 109 65 68 PHE H H 8.790 0.000 1 110 65 68 PHE N N 116.368 0.000 1 111 66 69 VAL H H 8.674 0.000 1 112 66 69 VAL N N 122.912 0.000 1 113 68 71 TYR H H 8.634 0.000 1 114 68 71 TYR N N 126.046 0.000 1 115 69 72 VAL H H 7.830 0.000 1 116 69 72 VAL N N 118.450 0.000 1 117 70 73 THR H H 9.025 0.000 1 118 70 73 THR N N 109.848 0.000 1 119 71 74 ALA H H 8.841 0.000 1 120 71 74 ALA N N 127.036 0.000 1 121 72 75 LYS H H 8.441 0.000 1 122 72 75 LYS N N 118.834 0.000 1 123 73 76 ASP H H 7.380 0.000 1 124 73 76 ASP N N 119.963 0.000 1 125 74 77 ALA H H 7.055 0.000 1 126 74 77 ALA N N 122.308 0.000 1 127 75 78 GLU H H 7.751 0.000 1 128 75 78 GLU N N 116.908 0.000 1 129 76 79 ARG H H 7.758 0.000 1 130 76 79 ARG N N 119.313 0.000 1 131 77 80 ALA H H 8.567 0.000 1 132 77 80 ALA N N 124.989 0.000 1 133 78 81 ILE H H 7.867 0.000 1 134 78 81 ILE N N 119.327 0.000 1 135 79 82 ASN H H 7.731 0.000 1 136 79 82 ASN N N 114.792 0.000 1 137 80 83 THR H H 8.171 0.000 1 138 80 83 THR N N 112.288 0.000 1 139 81 84 LEU H H 8.662 0.000 1 140 81 84 LEU N N 119.185 0.000 1 141 82 85 ASN H H 7.461 0.000 1 142 82 85 ASN N N 114.959 0.000 1 143 84 87 LEU H H 7.484 0.000 1 144 84 87 LEU N N 123.564 0.000 1 145 85 88 ARG H H 8.245 0.000 1 146 85 88 ARG N N 125.996 0.000 1 147 86 89 LEU H H 8.658 0.000 1 148 86 89 LEU N N 128.517 0.000 1 149 87 90 GLN H H 9.115 0.000 1 150 87 90 GLN N N 121.050 0.000 1 151 88 91 SER H H 8.312 0.000 1 152 88 91 SER N N 113.089 0.000 1 153 89 92 LYS H H 8.192 0.000 1 154 89 92 LYS N N 122.358 0.000 1 155 90 93 THR H H 8.133 0.000 1 156 90 93 THR N N 117.681 0.000 1 157 91 94 ILE H H 8.587 0.000 1 158 91 94 ILE N N 121.411 0.000 1 159 92 95 LYS H H 8.376 0.000 1 160 92 95 LYS N N 123.609 0.000 1 161 93 96 VAL H H 8.814 0.000 1 162 93 96 VAL N N 126.963 0.000 1 163 94 97 SER H H 8.620 0.000 1 164 94 97 SER N N 119.093 0.000 1 165 95 98 TYR H H 8.475 0.000 1 166 95 98 TYR N N 119.886 0.000 1 167 96 99 ALA H H 8.789 0.000 1 168 96 99 ALA N N 125.273 0.000 1 169 97 100 ARG H H 8.832 0.000 1 170 97 100 ARG N N 121.380 0.000 1 171 100 103 SER H H 8.361 0.000 1 172 100 103 SER N N 116.725 0.000 1 173 101 104 GLU H H 8.255 0.000 1 174 101 104 GLU N N 122.308 0.000 1 175 102 105 VAL H H 8.009 0.000 1 176 102 105 VAL N N 121.171 0.000 1 177 103 106 ILE H H 8.077 0.000 1 178 103 106 ILE N N 124.122 0.000 1 179 104 107 LYS H H 8.279 0.000 1 180 104 107 LYS N N 124.719 0.000 1 181 105 108 ASP H H 7.962 0.000 1 182 105 108 ASP N N 121.860 0.000 1 183 106 109 ALA H H 8.471 0.000 1 184 106 109 ALA N N 125.004 0.000 1 185 108 111 LEU H H 9.665 0.000 1 186 108 111 LEU N N 125.531 0.000 1 187 109 112 TYR H H 9.226 0.000 1 188 109 112 TYR N N 122.679 0.000 1 189 110 113 ILE H H 8.483 0.000 1 190 110 113 ILE N N 128.852 0.000 1 191 115 118 ARG H H 9.143 0.000 1 192 115 118 ARG N N 124.196 0.000 1 193 116 119 THR H H 7.215 0.000 1 194 116 119 THR N N 103.967 0.000 1 195 117 120 MET H H 7.185 0.000 1 196 117 120 MET N N 119.975 0.000 1 197 118 121 THR H H 9.326 0.000 1 198 118 121 THR N N 116.756 0.000 1 199 119 122 GLN H H 9.029 0.000 1 200 119 122 GLN N N 120.242 0.000 1 201 120 123 LYS H H 8.129 0.000 1 202 120 123 LYS N N 119.013 0.000 1 203 121 124 ASP H H 7.491 0.000 1 204 121 124 ASP N N 118.617 0.000 1 205 122 125 VAL H H 8.263 0.000 1 206 122 125 VAL N N 121.579 0.000 1 207 123 126 GLU H H 8.402 0.000 1 208 123 126 GLU N N 120.432 0.000 1 209 124 127 ASP H H 8.813 0.000 1 210 124 127 ASP N N 119.353 0.000 1 211 125 128 MET H H 7.858 0.000 1 212 125 128 MET N N 119.814 0.000 1 213 126 129 PHE H H 7.995 0.000 1 214 126 129 PHE N N 113.788 0.000 1 215 127 130 SER H H 8.536 0.000 1 216 127 130 SER N N 117.809 0.000 1 217 128 131 ARG H H 7.160 0.000 1 218 128 131 ARG N N 117.755 0.000 1 219 129 132 PHE H H 7.439 0.000 1 220 129 132 PHE N N 116.822 0.000 1 221 130 133 GLY H H 7.453 0.000 1 222 130 133 GLY N N 104.184 0.000 1 223 131 134 ARG H H 8.317 0.000 1 224 131 134 ARG N N 119.964 0.000 1 225 132 135 ILE H H 8.577 0.000 1 226 132 135 ILE N N 127.868 0.000 1 227 133 136 ILE H H 9.010 0.000 1 228 133 136 ILE N N 127.764 0.000 1 229 134 137 ASN H H 7.442 0.000 1 230 134 137 ASN N N 114.595 0.000 1 231 135 138 SER H H 8.252 0.000 1 232 135 138 SER N N 115.371 0.000 1 233 136 139 ARG H H 8.643 0.000 1 234 136 139 ARG N N 118.183 0.000 1 235 137 140 VAL H H 8.708 0.000 1 236 137 140 VAL N N 124.096 0.000 1 237 138 141 LEU H H 8.639 0.000 1 238 138 141 LEU N N 128.420 0.000 1 239 139 142 VAL H H 8.340 0.000 1 240 139 142 VAL N N 118.946 0.000 1 241 140 143 ASP H H 8.698 0.000 1 242 140 143 ASP N N 125.391 0.000 1 243 141 144 GLN H H 9.186 0.000 1 244 141 144 GLN N N 126.939 0.000 1 245 142 145 THR H H 8.716 0.000 1 246 142 145 THR N N 113.654 0.000 1 247 143 146 THR H H 7.865 0.000 1 248 143 146 THR N N 109.699 0.000 1 249 145 148 LEU H H 7.803 0.000 1 250 145 148 LEU N N 119.996 0.000 1 251 146 149 SER H H 8.634 0.000 1 252 146 149 SER N N 115.078 0.000 1 253 147 150 ARG H H 8.917 0.000 1 254 147 150 ARG N N 123.412 0.000 1 255 148 151 GLY H H 9.604 0.000 1 256 148 151 GLY N N 109.760 0.000 1 257 149 152 VAL H H 6.498 0.000 1 258 149 152 VAL N N 115.733 0.000 1 259 150 153 ALA H H 9.092 0.000 1 260 150 153 ALA N N 126.589 0.000 1 261 151 154 PHE H H 8.613 0.000 1 262 151 154 PHE N N 116.598 0.000 1 263 152 155 ILE H H 8.221 0.000 1 264 152 155 ILE N N 120.353 0.000 1 265 153 156 ARG H H 8.507 0.000 1 266 153 156 ARG N N 127.399 0.000 1 267 154 157 PHE H H 8.371 0.000 1 268 154 157 PHE N N 126.847 0.000 1 269 155 158 ASP H H 8.790 0.000 1 270 155 158 ASP N N 120.389 0.000 1 271 156 159 LYS H H 8.435 0.000 1 272 156 159 LYS N N 113.421 0.000 1 273 157 160 ARG H H 9.106 0.000 1 274 157 160 ARG N N 125.662 0.000 1 275 158 161 SER H H 8.670 0.000 1 276 158 161 SER N N 112.808 0.000 1 277 159 162 GLU H H 6.900 0.000 1 278 159 162 GLU N N 124.157 0.000 1 279 160 163 ALA H H 6.802 0.000 1 280 160 163 ALA N N 119.639 0.000 1 281 161 164 GLU H H 8.634 0.000 1 282 161 164 GLU N N 115.373 0.000 1 283 162 165 GLU H H 7.495 0.000 1 284 162 165 GLU N N 120.383 0.000 1 285 163 166 ALA H H 7.316 0.000 1 286 163 166 ALA N N 123.163 0.000 1 287 164 167 ILE H H 7.679 0.000 1 288 164 167 ILE N N 117.805 0.000 1 289 165 168 THR H H 8.104 0.000 1 290 165 168 THR N N 114.826 0.000 1 291 166 169 SER H H 7.968 0.000 1 292 166 169 SER N N 113.661 0.000 1 293 167 170 PHE H H 8.124 0.000 1 294 167 170 PHE N N 117.044 0.000 1 295 168 171 ASN H H 8.695 0.000 1 296 168 171 ASN N N 119.169 0.000 1 297 169 172 GLY H H 9.379 0.000 1 298 169 172 GLY N N 118.204 0.000 1 299 170 173 HIS H H 8.058 0.000 1 300 170 173 HIS N N 121.657 0.000 1 301 171 174 LYS H H 8.013 0.000 1 302 171 174 LYS N N 126.563 0.000 1 303 175 178 SER H H 8.015 0.000 1 304 175 178 SER N N 115.283 0.000 1 305 176 179 SER H H 8.762 0.000 1 306 176 179 SER N N 117.832 0.000 1 307 177 180 GLU H H 7.888 0.000 1 308 177 180 GLU N N 121.848 0.000 1 309 179 182 ILE H H 8.594 0.000 1 310 179 182 ILE N N 118.608 0.000 1 311 180 183 THR H H 8.839 0.000 1 312 180 183 THR N N 121.059 0.000 1 313 181 184 VAL H H 8.712 0.000 1 314 181 184 VAL N N 124.867 0.000 1 315 182 185 LYS H H 8.758 0.000 1 316 182 185 LYS N N 122.742 0.000 1 317 183 186 PHE H H 8.623 0.000 1 318 183 186 PHE N N 119.859 0.000 1 319 245 248 CYS H H 9.008 0.000 1 320 245 248 CYS N N 124.296 0.000 1 321 246 249 ILE H H 9.807 0.000 1 322 246 249 ILE N N 132.358 0.000 1 323 247 250 PHE H H 9.495 0.000 1 324 247 250 PHE N N 127.832 0.000 1 325 248 251 ILE H H 8.311 0.000 1 326 248 251 ILE N N 125.467 0.000 1 327 249 252 TYR H H 9.093 0.000 1 328 249 252 TYR N N 124.375 0.000 1 329 250 253 ASN H H 7.629 0.000 1 330 250 253 ASN N N 117.171 0.000 1 331 251 254 LEU H H 7.248 0.000 1 332 251 254 LEU N N 113.688 0.000 1 333 252 255 GLY H H 8.433 0.000 1 334 252 255 GLY N N 107.887 0.000 1 335 254 257 ASP H H 8.597 0.000 1 336 254 257 ASP N N 116.780 0.000 1 337 255 258 ALA H H 7.186 0.000 1 338 255 258 ALA N N 123.433 0.000 1 339 256 259 ASP H H 7.102 0.000 1 340 256 259 ASP N N 116.404 0.000 1 341 257 260 GLU H H 9.642 0.000 1 342 257 260 GLU N N 118.950 0.000 1 343 258 261 GLY H H 8.608 0.000 1 344 258 261 GLY N N 106.734 0.000 1 345 259 262 ILE H H 7.748 0.000 1 346 259 262 ILE N N 120.777 0.000 1 347 271 274 THR H H 8.256 0.000 1 348 271 274 THR N N 114.076 0.000 1 349 272 275 ASN H H 7.327 0.000 1 350 272 275 ASN N N 118.327 0.000 1 351 273 276 VAL H H 7.914 0.000 1 352 273 276 VAL N N 119.739 0.000 1 353 274 277 LYS H H 8.743 0.000 1 354 274 277 LYS N N 124.482 0.000 1 355 276 279 ILE H H 7.886 0.000 1 356 276 279 ILE N N 126.560 0.000 1 357 277 280 ARG H H 8.661 0.000 1 358 277 280 ARG N N 127.267 0.000 1 359 278 281 ASP H H 8.469 0.000 1 360 278 281 ASP N N 121.818 0.000 1 361 279 282 PHE H H 8.874 0.000 1 362 279 282 PHE N N 126.999 0.000 1 363 280 283 ASN H H 8.700 0.000 1 364 280 283 ASN N N 116.066 0.000 1 365 281 284 THR H H 8.186 0.000 1 366 281 284 THR N N 108.031 0.000 1 367 283 286 LYS H H 7.747 0.000 1 368 283 286 LYS N N 117.121 0.000 1 369 284 287 CYS H H 8.913 0.000 1 370 284 287 CYS N N 121.908 0.000 1 371 285 288 LYS H H 9.087 0.000 1 372 285 288 LYS N N 128.728 0.000 1 373 286 289 GLY H H 8.494 0.000 1 374 286 289 GLY N N 107.311 0.000 1 375 287 290 PHE H H 6.819 0.000 1 376 287 290 PHE N N 115.598 0.000 1 377 288 291 GLY H H 8.626 0.000 1 378 288 291 GLY N N 105.900 0.000 1 379 289 292 PHE H H 8.978 0.000 1 380 289 292 PHE N N 114.671 0.000 1 381 290 293 VAL H H 8.935 0.000 1 382 290 293 VAL N N 120.823 0.000 1 383 291 294 THR H H 8.635 0.000 1 384 291 294 THR N N 121.331 0.000 1 385 292 295 MET H H 8.887 0.000 1 386 292 295 MET N N 124.769 0.000 1 387 294 297 ASN H H 9.927 0.000 1 388 294 297 ASN N N 120.106 0.000 1 389 295 298 TYR H H 9.108 0.000 1 390 295 298 TYR N N 128.480 0.000 1 391 296 299 GLU H H 9.069 0.000 1 392 296 299 GLU N N 115.726 0.000 1 393 297 300 GLU H H 7.104 0.000 1 394 297 300 GLU N N 119.584 0.000 1 395 298 301 ALA H H 7.970 0.000 1 396 298 301 ALA N N 122.812 0.000 1 397 299 302 ALA H H 8.753 0.000 1 398 299 302 ALA N N 118.469 0.000 1 399 300 303 MET H H 7.575 0.000 1 400 300 303 MET N N 119.196 0.000 1 401 301 304 ALA H H 8.010 0.000 1 402 301 304 ALA N N 125.572 0.000 1 403 302 305 ILE H H 8.081 0.000 1 404 302 305 ILE N N 117.525 0.000 1 405 303 306 ALA H H 7.625 0.000 1 406 303 306 ALA N N 118.948 0.000 1 407 304 307 SER H H 7.489 0.000 1 408 304 307 SER N N 110.865 0.000 1 409 305 308 LEU H H 8.103 0.000 1 410 305 308 LEU N N 118.836 0.000 1 411 306 309 ASN H H 8.083 0.000 1 412 306 309 ASN N N 117.781 0.000 1 413 307 310 GLY H H 8.600 0.000 1 414 307 310 GLY N N 117.533 0.000 1 415 308 311 TYR H H 7.985 0.000 1 416 308 311 TYR N N 123.480 0.000 1 417 309 312 ARG H H 7.608 0.000 1 418 309 312 ARG N N 127.455 0.000 1 419 310 313 LEU H H 8.520 0.000 1 420 310 313 LEU N N 130.203 0.000 1 421 311 314 GLY H H 9.004 0.000 1 422 311 314 GLY N N 118.391 0.000 1 423 313 316 LYS H H 7.741 0.000 1 424 313 316 LYS N N 119.792 0.000 1 425 314 317 ILE H H 8.131 0.000 1 426 314 317 ILE N N 120.993 0.000 1 427 315 318 LEU H H 9.254 0.000 1 428 315 318 LEU N N 128.643 0.000 1 429 316 319 GLN H H 8.187 0.000 1 430 316 319 GLN N N 121.816 0.000 1 431 317 320 VAL H H 8.842 0.000 1 432 317 320 VAL N N 125.985 0.000 1 433 318 321 SER H H 8.904 0.000 1 434 318 321 SER N N 118.283 0.000 1 435 319 322 PHE H H 8.848 0.000 1 436 319 322 PHE N N 120.393 0.000 1 437 320 323 LYS H H 9.035 0.000 1 438 320 323 LYS N N 123.517 0.000 1 439 326 329 LYS H H 7.881 0.000 1 440 326 329 LYS N N 127.404 0.000 1 stop_ save_