data_15492 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone chemical shift assignment of a glutamate receptor ligand binding domain in complexes with five partial agonists ; _BMRB_accession_number 15492 _BMRB_flat_file_name bmr15492.str _Entry_type original _Submission_date 2007-09-27 _Accession_date 2007-09-27 _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 Fenwick Michael K. . 2 Oswald Robert E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 250 "13C chemical shifts" 498 "15N chemical shifts" 250 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-08-12 update BMRB 'added PubMed ID' 2008-01-25 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 15493 fluorowillardiine-S1S2 15494 bromowillardiine-S1S2 15495 iodowillardiine-S1S2 15496 kainate-S1S2 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Backbone chemical shift assignment of a glutamate receptor ligand binding domain in complexes with five partial agonists' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636875 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Fenwick Michael K. . 2 Oswald Robert E. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 1 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 241 _Page_last 243 _Year 2007 _Details . loop_ _Keyword 'glutamate receptor' 'chemical shift' 'partial agonist' 'ion channel' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name willardiine-S1S2 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label S1S2 $S1S2 willardiine $entity_HWD stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_S1S2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common S1S2 _Molecular_mass . _Mol_thiol_state 'free and disulfide bound' loop_ _Biological_function 'Glutamate receptor ligand binding domain' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 263 _Mol_residue_sequence ; GANKTVVVTTILESPYVMMK KNHEMLEGNERYEGYCVDLA AEIAKHCGFKYKLTIVGDGK YGARDADTKIWNGMVGELVY GKADIAIAPLTITLVREEVI DFSKPFMSLGISIMIKKGTP IESAEDLSKQTEIAYGTLDS GSTKEFFRRSKIAVFDKMWT YMRSAEPSVFVRTTAEGVAR VRKSKGKYAYLLESTMNEYI EQRKPCDTMKVGGNLDSKGY GIATPKGSSLGNAVNLAVLK LNEQGLLDKLKNKWWYDKGE CGS ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ALA 3 ASN 4 LYS 5 THR 6 VAL 7 VAL 8 VAL 9 THR 10 THR 11 ILE 12 LEU 13 GLU 14 SER 15 PRO 16 TYR 17 VAL 18 MET 19 MET 20 LYS 21 LYS 22 ASN 23 HIS 24 GLU 25 MET 26 LEU 27 GLU 28 GLY 29 ASN 30 GLU 31 ARG 32 TYR 33 GLU 34 GLY 35 TYR 36 CYS 37 VAL 38 ASP 39 LEU 40 ALA 41 ALA 42 GLU 43 ILE 44 ALA 45 LYS 46 HIS 47 CYS 48 GLY 49 PHE 50 LYS 51 TYR 52 LYS 53 LEU 54 THR 55 ILE 56 VAL 57 GLY 58 ASP 59 GLY 60 LYS 61 TYR 62 GLY 63 ALA 64 ARG 65 ASP 66 ALA 67 ASP 68 THR 69 LYS 70 ILE 71 TRP 72 ASN 73 GLY 74 MET 75 VAL 76 GLY 77 GLU 78 LEU 79 VAL 80 TYR 81 GLY 82 LYS 83 ALA 84 ASP 85 ILE 86 ALA 87 ILE 88 ALA 89 PRO 90 LEU 91 THR 92 ILE 93 THR 94 LEU 95 VAL 96 ARG 97 GLU 98 GLU 99 VAL 100 ILE 101 ASP 102 PHE 103 SER 104 LYS 105 PRO 106 PHE 107 MET 108 SER 109 LEU 110 GLY 111 ILE 112 SER 113 ILE 114 MET 115 ILE 116 LYS 117 LYS 118 GLY 119 THR 120 PRO 121 ILE 122 GLU 123 SER 124 ALA 125 GLU 126 ASP 127 LEU 128 SER 129 LYS 130 GLN 131 THR 132 GLU 133 ILE 134 ALA 135 TYR 136 GLY 137 THR 138 LEU 139 ASP 140 SER 141 GLY 142 SER 143 THR 144 LYS 145 GLU 146 PHE 147 PHE 148 ARG 149 ARG 150 SER 151 LYS 152 ILE 153 ALA 154 VAL 155 PHE 156 ASP 157 LYS 158 MET 159 TRP 160 THR 161 TYR 162 MET 163 ARG 164 SER 165 ALA 166 GLU 167 PRO 168 SER 169 VAL 170 PHE 171 VAL 172 ARG 173 THR 174 THR 175 ALA 176 GLU 177 GLY 178 VAL 179 ALA 180 ARG 181 VAL 182 ARG 183 LYS 184 SER 185 LYS 186 GLY 187 LYS 188 TYR 189 ALA 190 TYR 191 LEU 192 LEU 193 GLU 194 SER 195 THR 196 MET 197 ASN 198 GLU 199 TYR 200 ILE 201 GLU 202 GLN 203 ARG 204 LYS 205 PRO 206 CYS 207 ASP 208 THR 209 MET 210 LYS 211 VAL 212 GLY 213 GLY 214 ASN 215 LEU 216 ASP 217 SER 218 LYS 219 GLY 220 TYR 221 GLY 222 ILE 223 ALA 224 THR 225 PRO 226 LYS 227 GLY 228 SER 229 SER 230 LEU 231 GLY 232 ASN 233 ALA 234 VAL 235 ASN 236 LEU 237 ALA 238 VAL 239 LEU 240 LYS 241 LEU 242 ASN 243 GLU 244 GLN 245 GLY 246 LEU 247 LEU 248 ASP 249 LYS 250 LEU 251 LYS 252 ASN 253 LYS 254 TRP 255 TRP 256 TYR 257 ASP 258 LYS 259 GLY 260 GLU 261 CYS 262 GLY 263 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-12 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 BMRB 15493 S1S2 100.00 263 100.00 100.00 0.00e+00 BMRB 15494 S1S2 100.00 263 100.00 100.00 0.00e+00 BMRB 15495 S1S2 100.00 263 100.00 100.00 0.00e+00 BMRB 15496 S1S2 100.00 263 100.00 100.00 0.00e+00 PDB 1FTJ "Crystal Structure Of The Glur2 Ligand Binding Core (S1s2j) In Complex With Glutamate At 1.9 Resolution" 100.00 263 100.00 100.00 0.00e+00 PDB 1FTK "Crystal Structure Of The Glur2 Ligand Binding Core (S1s2i) In Complex With Kainate At 1.6 A Resolution" 100.76 279 98.11 98.11 0.00e+00 PDB 1FTL "Crystal Structure Of The Glur2 Ligand Binding Core (S1s2j) In Complex With The Antagonist Dnqx At 1.8 A Resolution" 100.00 263 100.00 100.00 0.00e+00 PDB 1FTM "Crystal Structure Of The Glur2 Ligand Binding Core (S1s2j) In Complex With Ampa At 1.7 Resolution" 100.00 263 100.00 100.00 0.00e+00 PDB 1FTO "Crystal Structure Of The Glur2 Ligand Binding Core (S1s2j) In The Apo State At 2.0 A Resolution" 100.00 263 100.00 100.00 0.00e+00 PDB 1FW0 "Crystal Structure Of The Glur2 Ligand Binding Core (S1s2j) In Complex With Kainate At 2.0 A Resolution" 100.00 263 100.00 100.00 0.00e+00 PDB 1GR2 "Structure Of A Glutamate Receptor Ligand Binding Core (Glur2) Complexed With Kainate" 100.76 279 98.11 98.11 0.00e+00 PDB 1LB8 "Crystal Structure Of The Non-Desensitizing Glur2 Ligand Binding Core Mutant (S1s2j-L483y) In Complex With Ampa At 2.3 Resolutio" 100.00 263 99.62 99.62 0.00e+00 PDB 1LB9 "Crystal Structure Of The Non-Desensitizing Glur2 Ligand Binding Core Mutant (S1s2j-L483y) In Complex With Antagonist Dnqx At 2." 100.00 263 99.62 99.62 0.00e+00 PDB 1LBB "Crystal Structure Of The Glur2 Ligand Binding Domain Mutant (s1s2j-n754d) In Complex With Kainate At 2.1 A Resolution" 100.00 263 99.62 100.00 0.00e+00 PDB 1LBC "Crystal Structure Of Glur2 Ligand Binding Core (S1s2j- N775s) In Complex With Cyclothiazide (Ctz) As Well As Glutamate At 1.8 A" 100.00 263 99.62 100.00 0.00e+00 PDB 1M5B "X-Ray Structure Of The Glur2 Ligand Binding Core (S1s2j) In Complex With 2-Me-Tet-Ampa At 1.85 A Resolution." 100.00 263 100.00 100.00 0.00e+00 PDB 1M5C "X-ray Structure Of The Glur2 Ligand Binding Core (s1s2j) In Complex With Br-hibo At 1.65 A Resolution" 100.00 263 100.00 100.00 0.00e+00 PDB 1M5D "X-ray Structure Of The Glur2 Ligand Binding Core (s1s2j-y702f) In Complex With Br-hibo At 1.73 A Resolution" 100.00 263 99.62 100.00 0.00e+00 PDB 1M5E "X-Ray Structure Of The Glur2 Ligand Binding Core (S1s2j) In Complex With Acpa At 1.46 A Resolution" 100.00 263 100.00 100.00 0.00e+00 PDB 1M5F "X-ray Structure Of The Glur2 Ligand Binding Core (s1s2j- Y702f) In Complex With Acpa At 1.95 A Resolution" 100.00 263 99.62 100.00 0.00e+00 PDB 1MM6 "Crystal Structure Of The Glur2 Ligand Binding Core (s1s2j) In Complex With Quisqualate In A Non Zinc Crystal Form At 2.15 Angst" 100.00 263 100.00 100.00 0.00e+00 PDB 1MM7 "Crystal Structure Of The Glur2 Ligand Binding Core (S1s2j) In Complex With Quisqualate In A Zinc Crystal Form At 1.65 Angstroms" 100.00 263 100.00 100.00 0.00e+00 PDB 1MQD "X-Ray Structure Of The Glur2 Ligand-Binding Core (S1s2j) In Complex With (S)-Des-Me-Ampa At 1.46 A Resolution. Crystallization " 99.24 261 100.00 100.00 0.00e+00 PDB 1MQG "Crystal Structure Of The Glur2 Ligand Binding Core (S1s2j) In Complex With Iodo-Willardiine At 2.15 Angstroms Resolution" 100.00 263 100.00 100.00 0.00e+00 PDB 1MQH "Crystal Structure Of The Glur2 Ligand Binding Core (S1s2j) In Complex With Bromo-Willardiine At 1.8 Angstroms Resolution" 100.00 263 99.62 99.62 0.00e+00 PDB 1MQI "Crystal Structure Of The Glur2 Ligand Binding Core (s1s2j) In Complex With Fluoro-willardiine At 1.35 Angstroms Resolution" 100.00 263 100.00 100.00 0.00e+00 PDB 1MQJ "Crystal Structure Of The Glur2 Ligand Binding Core (S1s2j) In Complex With Willardiine At 1.65 Angstroms Resolution" 100.00 263 100.00 100.00 0.00e+00 PDB 1MS7 "X-Ray Structure Of The Glur2 Ligand-Binding Core (S1s2j) In Complex With (S)-Des-Me-Ampa At 1.97 A Resolution, Crystallization " 100.00 263 100.00 100.00 0.00e+00 PDB 1MXU "Crystal Structure Of The Glur2 Ligand Binding Core (S1s2j) In Complex With Bromo-Willardiine (Control For The Crystal Titration" 100.00 263 100.00 100.00 0.00e+00 PDB 1MXV "Crystal Titration Experiments (Ampa Co-Crystals Soaked In 10 Mm Brw)" 100.00 263 100.00 100.00 0.00e+00 PDB 1MXW "Crystal Titration Experiments (ampa Co-crystals Soaked In 1 Mm Brw)" 100.00 263 100.00 100.00 0.00e+00 PDB 1MXX "Crystal Titration Experiments (Ampa Co-Crystals Soaked In 100 Um Brw)" 100.00 263 100.00 100.00 0.00e+00 PDB 1MXY "Crystal Titration Experiments (ampa Co-crystals Soaked In 10 Um Brw)" 100.00 263 100.00 100.00 0.00e+00 PDB 1MXZ "Crystal Titration Experiments (ampa Co-crystals Soaked In 1 Um Brw)" 100.00 263 100.00 100.00 0.00e+00 PDB 1MY0 "Crystal Titration Experiments (Ampa Co-Crystals Soaked In 100 Nm Brw)" 100.00 263 100.00 100.00 0.00e+00 PDB 1MY1 "Crystal Titration Experiments (Ampa Co-Crystals Soaked In 10 Nm Brw)" 100.00 263 100.00 100.00 0.00e+00 PDB 1MY2 "Crystal Titration Experiment (ampa Complex Control)" 100.00 263 100.00 100.00 0.00e+00 PDB 1MY3 "Crystal Structure Of Glutamate Receptor Ligand-Binding Core In Complex With Bromo-Willardiine In The Zn Crystal Form" 100.00 263 100.00 100.00 0.00e+00 PDB 1MY4 "Crystal Structure Of Glutamate Receptor Ligand-Binding Core In Complex With Iodo-Willardiine In The Zn Crystal Form" 100.00 263 100.00 100.00 0.00e+00 PDB 1N0T "X-Ray Structure Of The Glur2 Ligand-Binding Core (S1s2j) In Complex With The Antagonist (S)-Atpo At 2.1 A Resolution." 100.00 263 100.00 100.00 0.00e+00 PDB 1NNK "X-Ray Structure Of The Glur2 Ligand-Binding Core (S1s2j) In Complex With (S)-Atpa At 1.85 A Resolution. Crystallization With Zi" 100.00 263 100.00 100.00 0.00e+00 PDB 1NNP "X-Ray Structure Of The Glur2 Ligand-Binding Core (S1s2j) In Complex With (S)-Atpa At 1.9 A Resolution. Crystallization Without " 100.00 263 100.00 100.00 0.00e+00 PDB 1P1N "Glur2 Ligand Binding Core (S1s2j) Mutant L650t In Complex With Kainate" 100.00 263 99.62 99.62 0.00e+00 PDB 1P1O "Crystal Structure Of The Glur2 Ligand-Binding Core (S1s2j) Mutant L650t In Complex With Quisqualate" 100.00 263 99.62 99.62 0.00e+00 PDB 1P1Q "Crystal Structure Of The Glur2 Ligand Binding Core (S1s2j) L650t Mutant In Complex With Ampa" 100.00 263 99.62 99.62 0.00e+00 PDB 1P1U "Crystal Structure Of The Glur2 Ligand-Binding Core (S1s2j) L650t Mutant In Complex With Ampa (Ammonium Sulfate Crystal Form)" 100.00 263 99.62 99.62 0.00e+00 PDB 1P1W "Crystal Structure Of The Glur2 Ligand-Binding Core (S1s2j) With The L483y And L650t Mutations And In Complex With Ampa" 100.00 263 99.24 99.24 0.00e+00 PDB 1SYH "X-ray Structure Of The Glur2 Ligand-binding Core (s1s2j) In Complex With (s)-cpw399 At 1.85 A Resolution." 100.00 263 100.00 100.00 0.00e+00 PDB 1SYI "X-Ray Structure Of The Y702f Mutant Of The Glur2 Ligand- Binding Core (S1s2j) In Complex With (S)-Cpw399 At 2.1 A Resolution." 100.00 263 99.62 100.00 0.00e+00 PDB 1WVJ "Exploring The Glur2 Ligand-Binding Core In Complex With The Bicyclic Ampa Analogue (S)-4-Ahcp" 100.00 263 100.00 100.00 0.00e+00 PDB 1XHY "X-ray Structure Of The Y702f Mutant Of The Glur2 Ligand-binding Core (s1s2j) In Complex With Kainate At 1.85 A Resolution" 100.00 263 99.62 100.00 0.00e+00 PDB 2AIX "X-Ray Structure Of The Glur2 Ligand-Binding Core (S1s2j) In Complex With (S)-Thio-Atpa At 2.2 A Resolution." 100.00 263 100.00 100.00 0.00e+00 PDB 2AL4 "Crystal Structure Of The Glur2 Ligand Binding Core (S1s2j) In Complex With Quisqualate And Cx614." 100.00 263 100.00 100.00 0.00e+00 PDB 2AL5 "Crystal Structure Of The Glur2 Ligand Binding Core (S1s2j) In Complex With Fluoro-Willardiine And Aniracetam" 100.00 263 100.00 100.00 0.00e+00 PDB 2ANJ "Crystal Structure Of The Glur2 Ligand Binding Core (S1s2j- Y450w) Mutant In Complex With The Partial Agonist Kainic Acid At 2.1" 100.00 263 99.62 100.00 0.00e+00 PDB 2CMO "The Structure Of A Mixed Glur2 Ligand-Binding Core Dimer In Complex With (S)-Glutamate And The Antagonist (S)-Ns1209" 100.00 263 100.00 100.00 0.00e+00 PDB 2GFE "Crystal Structure Of The Glur2 A476e S673d Ligand Binding Core Mutant At 1.54 Angstroms Resolution" 99.62 262 99.24 99.24 0.00e+00 PDB 2I3V "Measurement Of Conformational Changes Accompanying Desensitization In An Ionotropic Glutamate Receptor: Structure Of G725c Muta" 98.48 259 99.61 99.61 0.00e+00 PDB 2I3W "Measurement Of Conformational Changes Accompanying Desensitization In An Ionotropic Glutamate Receptor: Structure Of S729c Muta" 98.48 259 99.61 99.61 0.00e+00 PDB 2P2A "X-Ray Structure Of The Glur2 Ligand Binding Core (S1s2j) In Complex With 2-Bn-Tet-Ampa At 2.26a Resolution" 100.00 263 100.00 100.00 0.00e+00 PDB 2UXA "Crystal Structure Of The Glur2-Flip Ligand Binding Domain, RG UNEDITED" 98.86 261 98.08 98.85 0.00e+00 PDB 2XHD "Crystal Structure Of N-((2s)-5-(6-Fluoro-3-Pyridinyl)-2,3- Dihydro-1h-Inden-2-Yl)-2-Propanesulfonamide In Complex With The Liga" 100.00 263 97.72 98.86 0.00e+00 PDB 2XX7 "Crystal Structure Of 1-(4-(1-Pyrrolidinylcarbonyl)phenyl)-3- (Trifluoromethyl)-4,5,6,7-Tetrahydro-1h-Indazole In Complex With T" 99.62 291 99.62 100.00 0.00e+00 PDB 2XX8 "Crystal Structure Of N,N-Dimethyl-4-(3-(Trifluoromethyl)-4, 5,6,7-Tetrahydro-1h-Indazol-1-Yl)benzamide In Complex With The Liga" 100.00 263 99.62 100.00 0.00e+00 PDB 2XX9 "Crystal Structure Of 1-((2-Fluoro-4-(3-(Trifluoromethyl)-4,5,6,7- Tetrahydro-1h-Indazol-1-Yl)phenyl)methyl)-2-Pyrrolidinone In " 100.00 263 99.62 100.00 0.00e+00 PDB 2XXH "Crystal Structure Of 1-(4-(2-Oxo-2-(1-Pyrrolidinyl)ethyl)phenyl)-3- (Trifluoromethyl)-4,5,6,7-Tetrahydro-1h-Indazole In Complex" 100.00 263 99.62 100.00 0.00e+00 PDB 2XXI "Crystal Structure Of 1-((4-(3-(Trifluoromethyl)-6,7-Dihydropyrano(4,3 -C(Pyrazol-1(4h)-Yl)phenyl)methyl)-2-Pyrrolidinone In Com" 100.00 263 99.62 100.00 0.00e+00 PDB 3B6Q "Crystal Structure Of The Glur2 Ligand Binding Core (S1s2j) Mutant T686a In Complex With Glutamate At 2.0 Resolution" 100.00 263 99.62 99.62 0.00e+00 PDB 3B6T "Crystal Structure Of The Glur2 Ligand Binding Core (S1s2j) T686a Mutant In Complex With Quisqualate At 2.1 Resolution" 100.00 263 99.62 99.62 0.00e+00 PDB 3B6W "Crystal Structure Of The Glur2 Ligand Binding Core (S1s2j) T686s Mutant In Complex With Glutamate At 1.7 Resolution" 100.00 263 99.62 100.00 0.00e+00 PDB 3B7D "Crystal Structure Of The Glur2 Ligand Binding Core (Hs1s2j) In Complex With Cnqx At 2.5 A Resolution" 99.24 261 100.00 100.00 0.00e+00 PDB 3BBR "Crystal Structure Of The Iglur2 Ligand Binding Core (S1s2j-N775s) In Complex With A Dimeric Positive Modulator As Well As Gluta" 100.00 263 99.62 100.00 0.00e+00 PDB 3BFT "Structure Of The Ligand-binding Core Of Glur2 In Complex With The Agonist (s)-tdpa At 2.25 A Resolution" 100.00 263 100.00 100.00 0.00e+00 PDB 3BFU "Structure Of The Ligand-Binding Core Of Glur2 In Complex With The Agonist (R)-Tdpa At 1.95 A Resolution" 100.00 263 100.00 100.00 0.00e+00 PDB 3BKI "Crystal Structure Of The Glur2 Ligand Binding Core (S1s2j) In Complex With Fqx At 1.87 Angstroms" 100.00 263 100.00 100.00 0.00e+00 PDB 3DP6 "Crystal Structure Of The Binding Domain Of The Ampa Subunit Glur2 Bound To Glutamate" 100.00 279 100.00 100.00 0.00e+00 PDB 3H03 "Crystal Structure Of The Binding Domain Of The Ampa Subunit Glur2 Bound To Ubp277" 98.10 258 100.00 100.00 0.00e+00 PDB 3H06 "Crystal Structure Of The Binding Domain Of The Ampa Subunit Glur2 Bound To The Willardiine Antagonist, Ubp282" 98.10 258 100.00 100.00 0.00e+00 PDB 3H6T "Crystal Structure Of The Iglur2 Ligand-Binding Core (S1s2j-N754s) In Complex With Glutamate And Cyclothiazide At 2.25 A Resolut" 100.00 263 99.62 100.00 0.00e+00 PDB 3H6U "Crystal Structure Of The Iglur2 Ligand-binding Core (s1s2j-n754s) In Complex With Glutamate And Ns1493 At 1.85 A Resolution" 100.00 263 99.62 100.00 0.00e+00 PDB 3H6V "Crystal Structure Of The Iglur2 Ligand-Binding Core (S1s2j-N754s) In Complex With Glutamate And Ns5206 At 2.10 A Resolution" 100.00 263 99.62 100.00 0.00e+00 PDB 3H6W "Crystal Structure Of The Iglur2 Ligand-Binding Core (S1s2j-N754s) In Complex With Glutamate And Ns5217 At 1.50 A Resolution" 100.00 263 99.62 100.00 0.00e+00 PDB 3IJO "Crystal Structure Of The Ampa Subunit Glur2 Bound To The Allosteric Modulator, Althiazide" 98.10 258 99.61 100.00 0.00e+00 PDB 3IJX "Crystal Structure Of The Ampa Subunit Glur2 Bound To The Allosteric Modulator, Hydrochlorothiazide" 98.10 258 99.61 100.00 0.00e+00 PDB 3IK6 "Crystal Structure Of The Ampa Subunit Glur2 Bound To The Allosteric Modulator, Chlorothiazide" 98.10 258 99.61 100.00 0.00e+00 PDB 3IL1 "Crystal Structure Of The Ampa Subunit Glur2 Bound To The Allosteric Modulator, Idra-21" 98.10 258 99.61 100.00 0.00e+00 PDB 3ILT "Crystal Structure Of The Ampa Subunit Glur2 Bound To The Allosteric Modulator, Trichlormethiazide" 98.10 258 99.61 100.00 0.00e+00 PDB 3ILU "Crystal Structure Of The Ampa Subunit Glur2 Bound To The Allosteric Modulator, Hydroflumethiazide" 98.10 258 99.61 100.00 0.00e+00 PDB 3KGC "Isolated Ligand Binding Domain Dimer Of Glua2 Ionotropic Glutamate Receptor In Complex With Glutamate, Ly 404187 And Zk 200775" 100.00 263 99.62 100.00 0.00e+00 PDB 3LSF "Piracetam Bound To The Ligand Binding Domain Of Glua2" 98.10 258 99.61 100.00 0.00e+00 PDB 3LSL "Piracetam Bound To The Ligand Binding Domain Of Glua2 (Flop Form)" 98.10 258 100.00 100.00 0.00e+00 PDB 3M3L "Pepa Bound To The Ligand Binding Domain Of Glua2 (Flop Form)" 98.10 258 100.00 100.00 0.00e+00 PDB 3O28 "Ligand-Binding Domain Of Glua2 (Flip) Ionotropic Glutamate Receptor In Complex With An Allosteric Modulator" 100.00 263 98.48 99.24 0.00e+00 PDB 3O29 "Ligand-Binding Domain Of Glua2 (Flip) Ionotropic Glutamate Receptor In Complex With An Allosteric Modulator" 100.00 263 98.10 99.24 0.00e+00 PDB 3O2A "Ligand-Binding Domain Of Glua2 (Flip) Ionotropic Glutamate Receptor In Complex With An Allosteric Modulator" 100.00 263 98.10 99.24 0.00e+00 PDB 3O6G "Ligand-Binding Domain Of Glua2 (Flip) Ionotropic Glutamate Receptor In Complex With An Allosteric Modulator" 100.00 263 98.10 99.24 0.00e+00 PDB 3O6H "Ligand-Binding Domain Of Glua2 (Flip) Ionotropic Glutamate Receptor In Complex With An Allosteric Modulator" 100.00 263 98.10 99.24 0.00e+00 PDB 3O6I "Ligand-Binding Domain Of Glua2 (Flip) Ionotropic Glutamate Receptor In Complex With An Allosteric Modulator" 100.00 263 98.10 99.24 0.00e+00 PDB 3PD8 "X-Ray Structure Of The Ligand-Binding Core Of Glua2 In Complex With (S)-7-Hpca At 2.5 A Resolution" 99.24 261 100.00 100.00 0.00e+00 PDB 3PD9 "X-Ray Structure Of The Ligand-Binding Core Of Glua2 In Complex With (R)-5-Hpca At 2.1 A Resolution" 98.86 260 100.00 100.00 0.00e+00 PDB 3PMV "Ligand-Binding Domain Of Glua2 (Flip) Ionotropic Glutamate Receptor In Complex With An Allosteric Modulator" 100.00 263 98.10 99.24 0.00e+00 PDB 3PMW "Ligand-Binding Domain Of Glua2 (Flip) Ionotropic Glutamate Receptor In Complex With An Allosteric Modulator" 100.00 263 98.10 99.24 0.00e+00 PDB 3PMX "Ligand-Binding Domain Of Glua2 (Flip) Ionotropic Glutamate Receptor In Complex With An Allosteric Modulator" 100.00 263 98.10 99.24 0.00e+00 PDB 3R7X "Crystal Structure Analysis Of A Quinazolinedione Sulfonamide Bound To Human Glur2: A Novel Class Of Competitive Ampa Receptor A" 100.00 263 99.24 99.24 0.00e+00 PDB 3RN8 "Crystal Structure Of Iglur2 Ligand Binding Domain And Symmetrical Carboxyl Containing Potentiator" 100.00 280 100.00 100.00 0.00e+00 PDB 3RNN "Crystal Structure Of Iglur2 Ligand Binding Domain With Symmetric Sulfonamide Containing Potentiator" 100.00 292 100.00 100.00 0.00e+00 PDB 3RTF "Chlorowillardiine Bound To The Ligand Binding Domain Of Glua2" 98.10 258 100.00 100.00 0.00e+00 PDB 3RTW "Nitrowillardiine Bound To The Ligand Binding Domain Of Glua2" 98.10 258 100.00 100.00 0.00e+00 PDB 3T93 "Glutamate Bound To A Double Cysteine Mutant (A452cS652C) OF THE Ligand Binding Domain Of Glua2" 98.10 258 99.22 99.22 0.00e+00 PDB 3T96 "Iodowillardiine Bound To A Double Cysteine Mutant (A452cS652C) OF THE Ligand Binding Domain Of Glua2" 98.10 258 99.22 99.22 0.00e+00 PDB 3T9H "Kainate Bound To A Double Cysteine Mutant (A452cS652C) OF THE LIGAND Binding Domain Of Glua2" 98.10 258 99.22 99.22 0.00e+00 PDB 3T9U "Cnqx Bound To An Oxidized Double Cysteine Mutant (A452cS652C) OF THE Ligand Binding Domain Of Glua2" 98.10 258 99.22 99.22 0.00e+00 PDB 3T9V "Cnqx Bound To A Reduced Double Cysteine Mutant (A452cS652C) OF THE Ligand Binding Domain Of Glua2" 98.10 258 99.22 99.22 0.00e+00 PDB 3T9X "Glutamate Bound To A Double Cysteine Mutant (V484cE657C) OF THE Ligand Binding Domain Of Glua2" 98.10 258 99.22 99.22 0.00e+00 PDB 3TDJ "Crystal Structure Of The Glua2 Ligand-Binding Domain (S1s2j-L483y- N754s) In Complex With Glutamate And Bpam-97 At 1.95 A Resol" 100.00 263 99.24 99.62 0.00e+00 PDB 3TKD "Crystal Structure Of The Glua2 Ligand-Binding Domain (S1s2j-L483y- N754s) In Complex With Glutamate And Cyclothiazide At 1.45 A" 100.00 263 99.24 99.62 0.00e+00 PDB 3TZA "Crystal Structure Of The Glua2 Ligand-binding Domain (s1s2j) In Complex With The Antagonist (s)-2-amino-3-(2-(2-carboxyethyl)-5" 100.00 263 100.00 100.00 0.00e+00 PDB 3UA8 "Crystal Structure Analysis Of A 6-Amino Quinazolinedione Sulfonamide Bound To Human Glur2" 100.00 263 99.24 99.24 0.00e+00 PDB 4FAT "Ligand-Binding Domain Of Glua2 (Flip) Ionotropic Glutamate Receptor In Complex With An Allosteric Modulator" 100.00 263 98.10 99.24 0.00e+00 PDB 4G8M "Crystal Structure Of The Glua2 Ligand-Binding Domain (S1s2j) In Complex With The Agonist Cbg-Iv At 2.05a Resolution" 100.00 263 100.00 100.00 0.00e+00 PDB 4GXS "Ligand Binding Domain Of Glua2 (ampa/glutamate Receptor) Bound To (-)- Kaitocephalin" 98.10 258 100.00 100.00 0.00e+00 PDB 4H8J "Structure Of Glua2-lbd In Complex With Mes" 100.00 276 100.00 100.00 0.00e+00 PDB 4IGT "Crystal Structure Of The Glua2 Ligand-binding Domain (s1s2j) In Complex With The Agonist Za302 At 1.24a Resolution" 100.00 263 100.00 100.00 0.00e+00 PDB 4ISU "Crystal Structure Of The Glua2 Ligand-binding Domain (s1s2j) In Complex With The Antagonist (2r)-ikm-159 At 2.3a Resolution." 100.00 263 100.00 100.00 0.00e+00 PDB 4IY5 "Crystal Structure Of The Glua2 Ligand-binding Domain (s1s2j-l483y- N754s) In Complex With Glutamate And Cx516 At 2.0 A Resoluti" 100.00 263 99.24 99.62 0.00e+00 PDB 4IY6 "Crystal Structure Of The Glua2 Ligand-binding Domain (s1s2j-l483y- N754s) In Complex With Glutamate And Me-cx516 At 1.72 A Reso" 100.00 263 99.24 99.62 0.00e+00 PDB 4L17 "Glua2-l483y-a665c Ligand-binding Domain In Complex With The Antagonist Dnqx" 100.00 263 99.24 99.24 0.00e+00 PDB 4LZ5 "Crystal Structures Of Glur2 Ligand-binding-domain In Complex With Glutamate And Positive Allosteric Modulators" 100.00 275 100.00 100.00 0.00e+00 PDB 4LZ7 "Crystal Structures Of Glur2 Ligand-binding-domain In Complex With Glutamate And Positive Allosteric Modulators" 100.00 275 100.00 100.00 0.00e+00 PDB 4LZ8 "Crystal Structures Of Glur2 Ligand-binding-domain In Complex With Glutamate And Positive Allosteric Modulators" 100.00 275 100.00 100.00 0.00e+00 PDB 4N07 "Crystal Structure Of The Glua2 Ligand-binding Domain (s1s2j-l483y- N754s) In Complex With Glutamate And Bpam-344 At 1.87 A Reso" 100.00 263 99.24 99.62 0.00e+00 PDB 4O3A "Crystal Structure Of The Glua2 Ligand-binding Domain In Complex With L-apartate At 1.80 A Resolution" 100.00 263 100.00 100.00 0.00e+00 PDB 4O3B "Crystal Structure Of An Open/closed Glua2 Ligand-binding Domain Dimer At 1.91 A Resolution" 100.00 263 100.00 100.00 0.00e+00 PDB 4O3C "Crystal Structure Of The Glua2 Ligand-binding Domain In Complex With L-apartate At 1.50 A Resolution" 100.00 263 100.00 100.00 0.00e+00 PDB 4Q30 "Nitrowillardiine Bound To The Ligand Binding Domain Of Glua2 At Ph 3.5" 98.10 258 98.45 99.22 0.00e+00 PDB 4U1O "Glua2flip Slbd Complexed With Kainate And (r,r)-2b Crystal Form C" 100.00 263 98.48 99.24 0.00e+00 PDB 4U1Z "Glua2flip Slbd Complexed With Kainate And (r,r)-2b Crystal Form D" 100.00 263 98.48 99.24 0.00e+00 PDB 4U21 "Glua2flip Slbd Complexed With Fw And (r,r)-2b Crystal Form E" 99.62 262 98.47 99.24 0.00e+00 PDB 4U22 "Glua2flip Slbd Complexed With Fw And (r,r)-2b Crystal Form D" 100.00 263 98.48 99.24 0.00e+00 PDB 4U23 "Glua2flip Slbd Complexed With Fw And (r,r)-2b Crystal Form F" 100.00 263 98.48 99.24 0.00e+00 PDB 4U2R "Crystal Structure Of The Glur2 Ligand Binding Core (s1s2j, Flip Variant) In The Apo State" 100.00 263 98.48 99.24 0.00e+00 PDB 4U4S "Crystal Structure Of The Glua2 Ligand-binding Domain (s1s2j-l483y- N754s) In Complex With Glutamate And Bpam25 At 1.90 A Resolu" 100.00 263 99.24 99.62 0.00e+00 PDB 4U4X "Crystal Structure Of The Glua2 Ligand-binding Domain (s1s2j-l483y- N754s) In Complex With Glutamate And Bpam37 At 1.56 A Resolu" 100.00 263 99.24 99.62 0.00e+00 PDB 4X48 "Crystal Structure Of Glur2 Ligand-binding Core" 100.00 275 100.00 100.00 0.00e+00 PDB 4YMA "Structure Of The Ligand-binding Domain Of Glua2 In Complex With The Antagonist Cng10109" 100.00 264 100.00 100.00 0.00e+00 GB AAB03114 "GluR2 flop, partial [Gallus gallus]" 55.13 242 97.93 99.31 1.06e-96 GB ABV25011 "glutamate receptor ionotropic AMPA2 [Aspidoscelis inornata]" 54.75 224 97.92 99.31 7.55e-96 GB EAX04871 "glutamate receptor, ionotropic, AMPA 2, isoform CRA_g [Homo sapiens]" 100.76 803 97.36 97.74 4.47e-179 REF XP_010160138 "PREDICTED: glutamate receptor 2 isoform X2 [Eurypyga helias]" 55.13 234 97.93 99.31 8.01e-97 stop_ save_ ############# # Ligands # ############# save_HWD _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common '2-AMINO-3-(2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID' _BMRB_code HWD _PDB_code HWD _Molecular_mass 199.164 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C2 C2 C . 0 . ? C4 C4 C . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? C7 C7 C . 0 . ? C8 C8 C . 0 . ? C9 C9 C . 0 . ? H3 H3 H . 0 . ? H5 H5 H . 0 . ? H6 H6 H . 0 . ? H71 H71 H . 0 . ? H72 H72 H . 0 . ? H8 H8 H . 0 . ? H81 H81 H . 0 . ? H82 H82 H . 0 . ? H92O H92O H . 0 . ? N1 N1 N . 0 . ? N3 N3 N . 0 . ? N8 N8 N . 0 . ? O2 O2 O . 0 . ? O4 O4 O . 0 . ? O91 O91 O . 0 . ? O92 O92 O . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N1 C2 ? ? SING N1 C6 ? ? SING N1 C7 ? ? DOUB C2 O2 ? ? SING C2 N3 ? ? SING N3 C4 ? ? SING N3 H3 ? ? DOUB C4 O4 ? ? SING C4 C5 ? ? DOUB C5 C6 ? ? SING C5 H5 ? ? SING C6 H6 ? ? SING C7 C8 ? ? SING C7 H71 ? ? SING C7 H72 ? ? SING C8 N8 ? ? SING C8 C9 ? ? SING C8 H8 ? ? SING N8 H81 ? ? SING N8 H82 ? ? DOUB C9 O91 ? ? SING C9 O92 ? ? SING O92 H92O ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $S1S2 Rat 10116 Eukaryota Metazoa Rattus norvegicus 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 $S1S2 'recombinant technology' . Escherichia coli BL21(DE3)* pET 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 $S1S2 0.25-0.35 mM '[U-98% 13C; U-98% 15N; U-95% 2H]' willardiine 12 mM 'natural abundance' 'sodium chloride' 25 mM 'natural abundance' 'sodium acetate' 25 mM 'natural abundance' 'sodium azide' 3 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ 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_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'peak picking' 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _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_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _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 temperature 298 . K pH 5.0 . pH pressure 1 . atm 'ionic strength' 53.0 . mM 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 C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.00 . 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' '3D HNCO' '3D HN(CO)CA' 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 S1S2 _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 1 1 GLY C C 169.9 0.1 1 2 1 1 GLY CA C 42.9 0.1 1 3 2 2 ALA H H 8.53 0.01 1 4 2 2 ALA C C 177.5 0.1 1 5 2 2 ALA CA C 52.1 0.1 1 6 2 2 ALA N N 124.2 0.1 1 7 3 3 ASN H H 8.51 0.01 1 8 3 3 ASN C C 174.8 0.1 1 9 3 3 ASN CA C 52.9 0.1 1 10 3 3 ASN N N 119.3 0.1 1 11 4 4 LYS H H 8.15 0.01 1 12 4 4 LYS C C 176.4 0.1 1 13 4 4 LYS CA C 55.7 0.1 1 14 4 4 LYS N N 122.5 0.1 1 15 5 5 THR H H 8.38 0.01 1 16 5 5 THR C C 173.8 0.1 1 17 5 5 THR CA C 62.8 0.1 1 18 5 5 THR N N 121.7 0.1 1 19 6 6 VAL H H 8.67 0.01 1 20 6 6 VAL C C 174.7 0.1 1 21 6 6 VAL CA C 62.1 0.1 1 22 6 6 VAL N N 130.1 0.1 1 23 7 7 VAL H H 9.79 0.01 1 24 7 7 VAL C C 175.9 0.1 1 25 7 7 VAL CA C 63.1 0.1 1 26 7 7 VAL N N 130.6 0.1 1 27 8 8 VAL H H 8.64 0.01 1 28 8 8 VAL C C 176.2 0.1 1 29 8 8 VAL CA C 59.1 0.1 1 30 8 8 VAL N N 131.1 0.1 1 31 9 9 THR H H 8.96 0.01 1 32 9 9 THR C C 171.5 0.1 1 33 9 9 THR CA C 59.5 0.1 1 34 9 9 THR N N 124.7 0.1 1 35 10 10 THR H H 7.78 0.01 1 36 10 10 THR C C 170.0 0.1 1 37 10 10 THR CA C 60.9 0.1 1 38 10 10 THR N N 124.3 0.1 1 39 11 11 ILE H H 7.79 0.01 1 40 11 11 ILE C C 172.3 0.1 1 41 11 11 ILE CA C 58.6 0.1 1 42 11 11 ILE N N 120.0 0.1 1 43 12 12 LEU H H 7.85 0.01 1 44 12 12 LEU C C 175.0 0.1 1 45 12 12 LEU CA C 54.7 0.1 1 46 12 12 LEU N N 124.9 0.1 1 47 13 13 GLU H H 7.70 0.01 1 48 13 13 GLU C C 176.5 0.1 1 49 13 13 GLU CA C 54.7 0.1 1 50 13 13 GLU N N 128.5 0.1 1 51 14 14 SER H H 9.52 0.01 1 52 14 14 SER N N 131.6 0.1 1 53 15 15 PRO C C 173.7 0.1 1 54 15 15 PRO CA C 63.3 0.1 1 55 16 16 TYR H H 8.23 0.01 1 56 16 16 TYR C C 176.9 0.1 1 57 16 16 TYR CA C 61.8 0.1 1 58 16 16 TYR N N 124.7 0.1 1 59 17 17 VAL H H 7.87 0.01 1 60 17 17 VAL C C 173.9 0.1 1 61 17 17 VAL CA C 63.5 0.1 1 62 17 17 VAL N N 118.1 0.1 1 63 18 18 MET H H 9.29 0.01 1 64 18 18 MET C C 175.1 0.1 1 65 18 18 MET CA C 53.2 0.1 1 66 18 18 MET N N 126.1 0.1 1 67 19 19 MET H H 8.73 0.01 1 68 19 19 MET C C 177.8 0.1 1 69 19 19 MET CA C 54.2 0.1 1 70 19 19 MET N N 120.1 0.1 1 71 20 20 LYS H H 8.49 0.01 1 72 20 20 LYS C C 177.5 0.1 1 73 20 20 LYS CA C 56.9 0.1 1 74 20 20 LYS N N 126.6 0.1 1 75 21 21 LYS H H 8.82 0.01 1 76 21 21 LYS C C 177.4 0.1 1 77 21 21 LYS CA C 58.1 0.1 1 78 21 21 LYS N N 123.9 0.1 1 79 22 22 ASN H H 8.71 0.01 1 80 22 22 ASN C C 176.1 0.1 1 81 22 22 ASN CA C 53.0 0.1 1 82 22 22 ASN N N 117.0 0.1 1 83 23 23 HIS H H 7.62 0.01 1 84 23 23 HIS C C 175.5 0.1 1 85 23 23 HIS CA C 58.2 0.1 1 86 23 23 HIS N N 115.5 0.1 1 87 24 24 GLU H H 8.68 0.01 1 88 24 24 GLU C C 177.2 0.1 1 89 24 24 GLU CA C 58.5 0.1 1 90 24 24 GLU N N 121.0 0.1 1 91 25 25 MET H H 7.83 0.01 1 92 25 25 MET C C 175.4 0.1 1 93 25 25 MET CA C 54.5 0.1 1 94 25 25 MET N N 116.7 0.1 1 95 26 26 LEU H H 7.43 0.01 1 96 26 26 LEU C C 175.0 0.1 1 97 26 26 LEU CA C 53.0 0.1 1 98 26 26 LEU N N 122.1 0.1 1 99 27 27 GLU H H 8.32 0.01 1 100 27 27 GLU C C 177.0 0.1 1 101 27 27 GLU CA C 54.0 0.1 1 102 27 27 GLU N N 118.4 0.1 1 103 28 28 GLY H H 8.80 0.01 1 104 28 28 GLY C C 177.1 0.1 1 105 28 28 GLY CA C 45.9 0.1 1 106 28 28 GLY N N 109.7 0.1 1 107 29 29 ASN H H 9.49 0.01 1 108 29 29 ASN C C 176.3 0.1 1 109 29 29 ASN CA C 55.1 0.1 1 110 29 29 ASN N N 125.5 0.1 1 111 30 30 GLU H H 7.80 0.01 1 112 30 30 GLU C C 176.1 0.1 1 113 30 30 GLU CA C 57.0 0.1 1 114 30 30 GLU N N 116.5 0.1 1 115 31 31 ARG H H 6.85 0.01 1 116 31 31 ARG C C 174.3 0.1 1 117 31 31 ARG CA C 58.2 0.1 1 118 31 31 ARG N N 114.7 0.1 1 119 32 32 TYR H H 6.85 0.01 1 120 32 32 TYR C C 173.9 0.1 1 121 32 32 TYR CA C 55.3 0.1 1 122 32 32 TYR N N 114.3 0.1 1 123 33 33 GLU H H 9.15 0.01 1 124 33 33 GLU C C 172.9 0.1 1 125 33 33 GLU CA C 53.4 0.1 1 126 33 33 GLU N N 116.2 0.1 1 127 34 34 GLY H H 8.21 0.01 1 128 34 34 GLY C C 174.3 0.1 1 129 34 34 GLY CA C 42.0 0.1 1 130 34 34 GLY N N 109.2 0.1 1 131 35 35 TYR H H 7.32 0.01 1 132 35 35 TYR C C 178.3 0.1 1 133 35 35 TYR CA C 62.5 0.1 1 134 35 35 TYR N N 119.4 0.1 1 135 36 36 CYS H H 10.14 0.01 1 136 36 36 CYS C C 175.5 0.1 1 137 36 36 CYS CA C 63.8 0.1 1 138 36 36 CYS N N 114.3 0.1 1 139 37 37 VAL H H 6.62 0.01 1 140 37 37 VAL C C 178.6 0.1 1 141 37 37 VAL CA C 66.0 0.1 1 142 37 37 VAL N N 124.0 0.1 1 143 38 38 ASP H H 8.06 0.01 1 144 38 38 ASP C C 179.1 0.1 1 145 38 38 ASP CA C 56.9 0.1 1 146 38 38 ASP N N 123.0 0.1 1 147 39 39 LEU H H 8.31 0.01 1 148 39 39 LEU C C 177.8 0.1 1 149 39 39 LEU CA C 57.5 0.1 1 150 39 39 LEU N N 120.8 0.1 1 151 40 40 ALA H H 7.95 0.01 1 152 40 40 ALA C C 177.8 0.1 1 153 40 40 ALA CA C 55.1 0.1 1 154 40 40 ALA N N 120.5 0.1 1 155 41 41 ALA H H 7.21 0.01 1 156 41 41 ALA C C 181.4 0.1 1 157 41 41 ALA CA C 54.9 0.1 1 158 41 41 ALA N N 118.6 0.1 1 159 42 42 GLU H H 7.68 0.01 1 160 42 42 GLU C C 180.1 0.1 1 161 42 42 GLU CA C 58.1 0.1 1 162 42 42 GLU N N 118.3 0.1 1 163 43 43 ILE H H 8.59 0.01 1 164 43 43 ILE C C 177.6 0.1 1 165 43 43 ILE CA C 64.2 0.1 1 166 43 43 ILE N N 122.1 0.1 1 167 44 44 ALA H H 8.17 0.01 1 168 44 44 ALA C C 180.0 0.1 1 169 44 44 ALA CA C 54.9 0.1 1 170 44 44 ALA N N 123.3 0.1 1 171 45 45 LYS H H 7.54 0.01 1 172 45 45 LYS C C 179.1 0.1 1 173 45 45 LYS CA C 58.6 0.1 1 174 45 45 LYS N N 118.1 0.1 1 175 46 46 HIS H H 7.62 0.01 1 176 46 46 HIS C C 177.1 0.1 1 177 46 46 HIS CA C 59.2 0.1 1 178 46 46 HIS N N 117.3 0.1 1 179 47 47 CYS H H 8.06 0.01 1 180 47 47 CYS C C 175.2 0.1 1 181 47 47 CYS CA C 60.2 0.1 1 182 47 47 CYS N N 114.6 0.1 1 183 48 48 GLY H H 7.87 0.01 1 184 48 48 GLY C C 174.0 0.1 1 185 48 48 GLY CA C 46.3 0.1 1 186 48 48 GLY N N 109.9 0.1 1 187 49 49 PHE H H 7.11 0.01 1 188 49 49 PHE C C 174.7 0.1 1 189 49 49 PHE CA C 54.0 0.1 1 190 49 49 PHE N N 114.6 0.1 1 191 50 50 LYS H H 8.79 0.01 1 192 50 50 LYS C C 176.4 0.1 1 193 50 50 LYS CA C 54.8 0.1 1 194 50 50 LYS N N 121.7 0.1 1 195 51 51 TYR H H 8.39 0.01 1 196 51 51 TYR C C 173.9 0.1 1 197 51 51 TYR CA C 55.4 0.1 1 198 51 51 TYR N N 117.5 0.1 1 199 52 52 LYS H H 8.82 0.01 1 200 52 52 LYS C C 175.4 0.1 1 201 52 52 LYS CA C 54.0 0.1 1 202 52 52 LYS N N 122.8 0.1 1 203 53 53 LEU H H 8.76 0.01 1 204 53 53 LEU C C 176.1 0.1 1 205 53 53 LEU CA C 54.9 0.1 1 206 53 53 LEU N N 125.8 0.1 1 207 54 54 THR H H 8.68 0.01 1 208 54 54 THR C C 171.1 0.1 1 209 54 54 THR CA C 59.7 0.1 1 210 54 54 THR N N 119.9 0.1 1 211 55 55 ILE H H 8.10 0.01 1 212 55 55 ILE C C 176.7 0.1 1 213 55 55 ILE CA C 57.1 0.1 1 214 55 55 ILE N N 123.6 0.1 1 215 56 56 VAL H H 8.72 0.01 1 216 56 56 VAL C C 177.4 0.1 1 217 56 56 VAL CA C 60.9 0.1 1 218 56 56 VAL N N 131.1 0.1 1 219 57 57 GLY H H 8.86 0.01 1 220 57 57 GLY C C 175.4 0.1 1 221 57 57 GLY CA C 47.8 0.1 1 222 57 57 GLY N N 118.8 0.1 1 223 58 58 ASP H H 7.80 0.01 1 224 58 58 ASP C C 178.2 0.1 1 225 58 58 ASP CA C 52.3 0.1 1 226 58 58 ASP N N 117.3 0.1 1 227 59 59 GLY H H 7.34 0.01 1 228 59 59 GLY C C 173.6 0.1 1 229 59 59 GLY CA C 46.1 0.1 1 230 59 59 GLY N N 106.4 0.1 1 231 60 60 LYS H H 7.83 0.01 1 232 60 60 LYS C C 175.6 0.1 1 233 60 60 LYS CA C 54.5 0.1 1 234 60 60 LYS N N 120.0 0.1 1 235 61 61 TYR H H 8.31 0.01 1 236 61 61 TYR C C 177.7 0.1 1 237 61 61 TYR CA C 61.8 0.1 1 238 61 61 TYR N N 119.1 0.1 1 239 62 62 GLY H H 8.11 0.01 1 240 62 62 GLY C C 172.7 0.1 1 241 62 62 GLY CA C 46.5 0.1 1 242 62 62 GLY N N 104.0 0.1 1 243 63 63 ALA H H 8.83 0.01 1 244 63 63 ALA C C 174.1 0.1 1 245 63 63 ALA CA C 50.9 0.1 1 246 63 63 ALA N N 134.1 0.1 1 247 64 64 ARG H H 7.75 0.01 1 248 64 64 ARG C C 175.9 0.1 1 249 64 64 ARG CA C 53.8 0.1 1 250 64 64 ARG N N 123.1 0.1 1 251 65 65 ASP H H 7.79 0.01 1 252 65 65 ASP C C 177.4 0.1 1 253 65 65 ASP CA C 54.8 0.1 1 254 65 65 ASP N N 130.4 0.1 1 255 66 66 ALA H H 8.66 0.01 1 256 66 66 ALA C C 178.1 0.1 1 257 66 66 ALA CA C 54.3 0.1 1 258 66 66 ALA N N 129.6 0.1 1 259 67 67 ASP H H 8.36 0.01 1 260 67 67 ASP C C 177.8 0.1 1 261 67 67 ASP CA C 55.9 0.1 1 262 67 67 ASP N N 116.3 0.1 1 263 68 68 THR H H 8.60 0.01 1 264 68 68 THR C C 175.9 0.1 1 265 68 68 THR CA C 61.9 0.1 1 266 68 68 THR N N 110.6 0.1 1 267 69 69 LYS H H 7.75 0.01 1 268 69 69 LYS C C 174.8 0.1 1 269 69 69 LYS CA C 57.1 0.1 1 270 69 69 LYS N N 114.9 0.1 1 271 70 70 ILE H H 7.32 0.01 1 272 70 70 ILE C C 178.0 0.1 1 273 70 70 ILE CA C 59.8 0.1 1 274 70 70 ILE N N 120.2 0.1 1 275 71 71 TRP H H 8.60 0.01 1 276 71 71 TRP C C 175.5 0.1 1 277 71 71 TRP CA C 57.6 0.1 1 278 71 71 TRP N N 129.8 0.1 1 279 72 72 ASN H H 8.27 0.01 1 280 72 72 ASN C C 176.6 0.1 1 281 72 72 ASN CA C 49.7 0.1 1 282 72 72 ASN N N 121.1 0.1 1 283 73 73 GLY H H 9.99 0.01 1 284 73 73 GLY C C 176.5 0.1 1 285 73 73 GLY CA C 46.3 0.1 1 286 73 73 GLY N N 107.5 0.1 1 287 74 74 MET H H 7.47 0.01 1 288 74 74 MET C C 177.9 0.1 1 289 74 74 MET CA C 59.0 0.1 1 290 74 74 MET N N 123.9 0.1 1 291 75 75 VAL H H 7.32 0.01 1 292 75 75 VAL C C 177.2 0.1 1 293 75 75 VAL CA C 66.8 0.1 1 294 75 75 VAL N N 114.9 0.1 1 295 76 76 GLY H H 7.73 0.01 1 296 76 76 GLY C C 174.3 0.1 1 297 76 76 GLY CA C 46.8 0.1 1 298 76 76 GLY N N 106.9 0.1 1 299 77 77 GLU H H 7.54 0.01 1 300 77 77 GLU C C 178.8 0.1 1 301 77 77 GLU CA C 60.0 0.1 1 302 77 77 GLU N N 119.2 0.1 1 303 78 78 LEU H H 7.18 0.01 1 304 78 78 LEU C C 179.2 0.1 1 305 78 78 LEU CA C 56.5 0.1 1 306 78 78 LEU N N 117.1 0.1 1 307 79 79 VAL H H 8.06 0.01 1 308 79 79 VAL C C 178.5 0.1 1 309 79 79 VAL CA C 65.1 0.1 1 310 79 79 VAL N N 120.0 0.1 1 311 80 80 TYR H H 8.08 0.01 1 312 80 80 TYR C C 177.1 0.1 1 313 80 80 TYR CA C 56.3 0.1 1 314 80 80 TYR N N 115.3 0.1 1 315 81 81 GLY H H 7.15 0.01 1 316 81 81 GLY C C 175.1 0.1 1 317 81 81 GLY CA C 46.8 0.1 1 318 81 81 GLY N N 107.3 0.1 1 319 82 82 LYS H H 8.54 0.01 1 320 82 82 LYS C C 175.7 0.1 1 321 82 82 LYS CA C 55.8 0.1 1 322 82 82 LYS N N 119.1 0.1 1 323 83 83 ALA H H 7.40 0.01 1 324 83 83 ALA C C 174.5 0.1 1 325 83 83 ALA CA C 50.1 0.1 1 326 83 83 ALA N N 119.9 0.1 1 327 84 84 ASP H H 8.67 0.01 1 328 84 84 ASP C C 175.0 0.1 1 329 84 84 ASP CA C 55.7 0.1 1 330 84 84 ASP N N 118.4 0.1 1 331 85 85 ILE H H 7.54 0.01 1 332 85 85 ILE C C 172.4 0.1 1 333 85 85 ILE CA C 59.0 0.1 1 334 85 85 ILE N N 114.9 0.1 1 335 86 86 ALA H H 9.32 0.01 1 336 86 86 ALA C C 177.7 0.1 1 337 86 86 ALA CA C 50.0 0.1 1 338 86 86 ALA N N 129.0 0.1 1 339 87 87 ILE H H 7.33 0.01 1 340 87 87 ILE C C 172.3 0.1 1 341 87 87 ILE CA C 61.4 0.1 1 342 87 87 ILE N N 123.9 0.1 1 343 88 88 ALA H H 9.27 0.01 1 344 88 88 ALA N N 131.4 0.1 1 345 89 89 PRO C C 171.7 0.1 1 346 89 89 PRO CA C 59.9 0.1 1 347 90 90 LEU H H 7.84 0.01 1 348 90 90 LEU C C 174.4 0.1 1 349 90 90 LEU CA C 52.8 0.1 1 350 90 90 LEU N N 127.6 0.1 1 351 91 91 THR H H 9.27 0.01 1 352 91 91 THR C C 173.5 0.1 1 353 91 91 THR CA C 62.8 0.1 1 354 91 91 THR N N 124.4 0.1 1 355 92 92 ILE H H 8.08 0.01 1 356 92 92 ILE C C 175.7 0.1 1 357 92 92 ILE CA C 62.1 0.1 1 358 92 92 ILE N N 128.4 0.1 1 359 93 93 THR H H 6.28 0.01 1 360 93 93 THR C C 173.9 0.1 1 361 93 93 THR CA C 57.8 0.1 1 362 93 93 THR N N 117.8 0.1 1 363 94 94 LEU H H 8.44 0.01 1 364 94 94 LEU C C 180.2 0.1 1 365 94 94 LEU CA C 57.7 0.1 1 366 94 94 LEU N N 124.7 0.1 1 367 95 95 VAL H H 7.95 0.01 1 368 95 95 VAL C C 179.2 0.1 1 369 95 95 VAL CA C 65.0 0.1 1 370 95 95 VAL N N 117.2 0.1 1 371 96 96 ARG H H 7.40 0.01 1 372 96 96 ARG C C 178.0 0.1 1 373 96 96 ARG CA C 58.7 0.1 1 374 96 96 ARG N N 118.6 0.1 1 375 97 97 GLU H H 8.13 0.01 1 376 97 97 GLU C C 176.7 0.1 1 377 97 97 GLU CA C 57.5 0.1 1 378 97 97 GLU N N 119.7 0.1 1 379 98 98 GLU H H 7.12 0.01 1 380 98 98 GLU C C 178.3 0.1 1 381 98 98 GLU CA C 58.6 0.1 1 382 98 98 GLU N N 116.1 0.1 1 383 99 99 VAL H H 7.54 0.01 1 384 99 99 VAL C C 174.5 0.1 1 385 99 99 VAL CA C 60.9 0.1 1 386 99 99 VAL N N 107.5 0.1 1 387 100 100 ILE H H 7.97 0.01 1 388 100 100 ILE C C 172.5 0.1 1 389 100 100 ILE CA C 59.6 0.1 1 390 100 100 ILE N N 118.5 0.1 1 391 101 101 ASP H H 8.36 0.01 1 392 101 101 ASP C C 175.3 0.1 1 393 101 101 ASP CA C 52.4 0.1 1 394 101 101 ASP N N 118.3 0.1 1 395 102 102 PHE H H 8.66 0.01 1 396 102 102 PHE C C 176.9 0.1 1 397 102 102 PHE CA C 56.3 0.1 1 398 102 102 PHE N N 117.4 0.1 1 399 103 103 SER H H 8.73 0.01 1 400 103 103 SER C C 175.1 0.1 1 401 103 103 SER CA C 57.9 0.1 1 402 103 103 SER N N 116.1 0.1 1 403 104 104 LYS H H 8.44 0.01 1 404 104 104 LYS N N 119.3 0.1 1 405 105 105 PRO C C 177.9 0.1 1 406 105 105 PRO CA C 62.4 0.1 1 407 106 106 PHE H H 8.31 0.01 1 408 106 106 PHE C C 173.9 0.1 1 409 106 106 PHE CA C 55.0 0.1 1 410 106 106 PHE N N 116.2 0.1 1 411 107 107 MET H H 6.74 0.01 1 412 107 107 MET C C 173.1 0.1 1 413 107 107 MET CA C 55.9 0.1 1 414 107 107 MET N N 120.1 0.1 1 415 108 108 SER H H 8.07 0.01 1 416 108 108 SER C C 172.6 0.1 1 417 108 108 SER CA C 57.1 0.1 1 418 108 108 SER N N 119.8 0.1 1 419 109 109 LEU H H 8.10 0.01 1 420 109 109 LEU C C 174.0 0.1 1 421 109 109 LEU CA C 55.0 0.1 1 422 109 109 LEU N N 119.9 0.1 1 423 110 110 GLY H H 8.00 0.01 1 424 110 110 GLY C C 172.5 0.1 1 425 110 110 GLY CA C 44.9 0.1 1 426 110 110 GLY N N 105.5 0.1 1 427 111 111 ILE H H 9.30 0.01 1 428 111 111 ILE C C 173.5 0.1 1 429 111 111 ILE CA C 64.1 0.1 1 430 111 111 ILE N N 124.9 0.1 1 431 112 112 SER H H 8.80 0.01 1 432 112 112 SER C C 171.0 0.1 1 433 112 112 SER CA C 56.4 0.1 1 434 112 112 SER N N 122.7 0.1 1 435 113 113 ILE H H 8.46 0.01 1 436 113 113 ILE C C 175.3 0.1 1 437 113 113 ILE CA C 60.9 0.1 1 438 113 113 ILE N N 119.0 0.1 1 439 114 114 MET H H 9.56 0.01 1 440 114 114 MET C C 174.6 0.1 1 441 114 114 MET CA C 54.0 0.1 1 442 114 114 MET N N 131.0 0.1 1 443 115 115 ILE H H 8.36 0.01 1 444 115 115 ILE C C 176.1 0.1 1 445 115 115 ILE CA C 57.8 0.1 1 446 115 115 ILE N N 116.9 0.1 1 447 116 116 LYS H H 8.68 0.01 1 448 116 116 LYS C C 177.9 0.1 1 449 116 116 LYS CA C 55.0 0.1 1 450 116 116 LYS N N 122.9 0.1 1 451 117 117 LYS H H 8.63 0.01 1 452 117 117 LYS C C 176.9 0.1 1 453 117 117 LYS CA C 59.7 0.1 1 454 117 117 LYS N N 130.8 0.1 1 455 118 118 GLY H H 8.71 0.01 1 456 118 118 GLY N N 113.4 0.1 1 457 123 123 SER C C 174.0 0.1 1 458 123 123 SER CA C 56.3 0.1 1 459 124 124 ALA H H 9.21 0.01 1 460 124 124 ALA C C 178.4 0.1 1 461 124 124 ALA CA C 54.8 0.1 1 462 124 124 ALA N N 123.8 0.1 1 463 125 125 GLU H H 8.53 0.01 1 464 125 125 GLU C C 179.8 0.1 1 465 125 125 GLU CA C 59.5 0.1 1 466 125 125 GLU N N 118.3 0.1 1 467 126 126 ASP H H 7.88 0.01 1 468 126 126 ASP N N 120.0 0.1 1 469 127 127 LEU C C 178.9 0.1 1 470 127 127 LEU CA C 57.1 0.1 1 471 128 128 SER H H 7.96 0.01 1 472 128 128 SER C C 174.8 0.1 1 473 128 128 SER CA C 60.6 0.1 1 474 128 128 SER N N 112.1 0.1 1 475 129 129 LYS H H 7.00 0.01 1 476 129 129 LYS C C 174.7 0.1 1 477 129 129 LYS CA C 56.1 0.1 1 478 129 129 LYS N N 120.6 0.1 1 479 130 130 GLN H H 7.65 0.01 1 480 130 130 GLN C C 174.1 0.1 1 481 130 130 GLN CA C 53.1 0.1 1 482 130 130 GLN N N 116.9 0.1 1 483 131 131 THR H H 8.52 0.01 1 484 131 131 THR C C 174.4 0.1 1 485 131 131 THR CA C 60.7 0.1 1 486 131 131 THR N N 107.2 0.1 1 487 132 132 GLU H H 7.33 0.01 1 488 132 132 GLU C C 176.5 0.1 1 489 132 132 GLU CA C 58.7 0.1 1 490 132 132 GLU N N 125.5 0.1 1 491 133 133 ILE H H 9.71 0.01 1 492 133 133 ILE C C 176.1 0.1 1 493 133 133 ILE CA C 60.5 0.1 1 494 133 133 ILE N N 122.8 0.1 1 495 134 134 ALA H H 7.87 0.01 1 496 134 134 ALA C C 175.1 0.1 1 497 134 134 ALA CA C 51.0 0.1 1 498 134 134 ALA N N 130.6 0.1 1 499 135 135 TYR H H 6.37 0.01 1 500 135 135 TYR C C 172.8 0.1 1 501 135 135 TYR CA C 54.3 0.1 1 502 135 135 TYR N N 112.4 0.1 1 503 136 136 GLY H H 6.57 0.01 1 504 136 136 GLY C C 170.8 0.1 1 505 136 136 GLY CA C 44.4 0.1 1 506 136 136 GLY N N 101.3 0.1 1 507 137 137 THR H H 6.22 0.01 1 508 137 137 THR C C 174.3 0.1 1 509 137 137 THR N N 105.0 0.1 1 510 138 138 LEU H H 10.14 0.01 1 511 138 138 LEU C C 180.7 0.1 1 512 138 138 LEU CA C 55.9 0.1 1 513 138 138 LEU N N 125.7 0.1 1 514 139 139 ASP H H 9.40 0.01 1 515 139 139 ASP C C 177.1 0.1 1 516 139 139 ASP CA C 55.0 0.1 1 517 139 139 ASP N N 127.8 0.1 1 518 140 140 SER H H 7.56 0.01 1 519 140 140 SER C C 173.1 0.1 1 520 140 140 SER CA C 58.4 0.1 1 521 140 140 SER N N 111.3 0.1 1 522 141 141 GLY H H 7.54 0.01 1 523 141 141 GLY C C 174.2 0.1 1 524 141 141 GLY CA C 44.1 0.1 1 525 141 141 GLY N N 109.0 0.1 1 526 142 142 SER H H 9.08 0.01 1 527 142 142 SER C C 178.2 0.1 1 528 142 142 SER N N 117.2 0.1 1 529 143 143 THR H H 9.31 0.01 1 530 143 143 THR C C 175.7 0.1 1 531 143 143 THR CA C 67.7 0.1 1 532 143 143 THR N N 128.7 0.1 1 533 144 144 LYS H H 8.97 0.01 1 534 144 144 LYS C C 178.7 0.1 1 535 144 144 LYS CA C 60.5 0.1 1 536 144 144 LYS N N 124.2 0.1 1 537 145 145 GLU H H 7.31 0.01 1 538 145 145 GLU C C 177.8 0.1 1 539 145 145 GLU CA C 57.8 0.1 1 540 145 145 GLU N N 114.7 0.1 1 541 146 146 PHE H H 7.89 0.01 1 542 146 146 PHE C C 177.7 0.1 1 543 146 146 PHE CA C 60.6 0.1 1 544 146 146 PHE N N 120.5 0.1 1 545 147 147 PHE H H 7.12 0.01 1 546 147 147 PHE C C 175.6 0.1 1 547 147 147 PHE CA C 62.9 0.1 1 548 147 147 PHE N N 116.5 0.1 1 549 148 148 ARG H H 7.33 0.01 1 550 148 148 ARG C C 177.0 0.1 1 551 148 148 ARG CA C 57.5 0.1 1 552 148 148 ARG N N 119.4 0.1 1 553 149 149 ARG H H 7.07 0.01 1 554 149 149 ARG C C 177.1 0.1 1 555 149 149 ARG CA C 54.6 0.1 1 556 149 149 ARG N N 112.2 0.1 1 557 150 150 SER H H 6.83 0.01 1 558 150 150 SER C C 176.4 0.1 1 559 150 150 SER CA C 60.0 0.1 1 560 150 150 SER N N 115.2 0.1 1 561 151 151 LYS H H 8.74 0.01 1 562 151 151 LYS C C 176.9 0.1 1 563 151 151 LYS CA C 54.6 0.1 1 564 151 151 LYS N N 125.5 0.1 1 565 152 152 ILE H H 8.05 0.01 1 566 152 152 ILE C C 177.4 0.1 1 567 152 152 ILE CA C 60.2 0.1 1 568 152 152 ILE N N 125.4 0.1 1 569 153 153 ALA H H 8.61 0.01 1 570 153 153 ALA C C 180.3 0.1 1 571 153 153 ALA CA C 56.2 0.1 1 572 153 153 ALA N N 132.2 0.1 1 573 154 154 VAL H H 8.02 0.01 1 574 154 154 VAL C C 176.4 0.1 1 575 154 154 VAL CA C 65.6 0.1 1 576 154 154 VAL N N 117.1 0.1 1 577 155 155 PHE H H 6.19 0.01 1 578 155 155 PHE C C 178.0 0.1 1 579 155 155 PHE CA C 57.4 0.1 1 580 155 155 PHE N N 120.5 0.1 1 581 156 156 ASP H H 8.71 0.01 1 582 156 156 ASP C C 179.4 0.1 1 583 156 156 ASP CA C 56.5 0.1 1 584 156 156 ASP N N 122.7 0.1 1 585 157 157 LYS H H 8.39 0.01 1 586 157 157 LYS C C 180.2 0.1 1 587 157 157 LYS CA C 59.5 0.1 1 588 157 157 LYS N N 123.1 0.1 1 589 158 158 MET H H 8.07 0.01 1 590 158 158 MET C C 178.3 0.1 1 591 158 158 MET CA C 58.5 0.1 1 592 158 158 MET N N 119.6 0.1 1 593 159 159 TRP H H 9.27 0.01 1 594 159 159 TRP C C 176.5 0.1 1 595 159 159 TRP CA C 59.3 0.1 1 596 159 159 TRP N N 122.6 0.1 1 597 160 160 THR H H 8.60 0.01 1 598 160 160 THR C C 176.5 0.1 1 599 160 160 THR CA C 66.6 0.1 1 600 160 160 THR N N 114.5 0.1 1 601 161 161 TYR H H 7.57 0.01 1 602 161 161 TYR C C 177.3 0.1 1 603 161 161 TYR CA C 60.3 0.1 1 604 161 161 TYR N N 121.9 0.1 1 605 162 162 MET H H 8.58 0.01 1 606 162 162 MET C C 177.7 0.1 1 607 162 162 MET CA C 59.3 0.1 1 608 162 162 MET N N 120.7 0.1 1 609 163 163 ARG H H 8.30 0.01 1 610 163 163 ARG C C 177.0 0.1 1 611 163 163 ARG CA C 57.6 0.1 1 612 163 163 ARG N N 114.7 0.1 1 613 164 164 SER H H 6.63 0.01 1 614 164 164 SER C C 173.7 0.1 1 615 164 164 SER CA C 57.3 0.1 1 616 164 164 SER N N 112.1 0.1 1 617 165 165 ALA H H 6.73 0.01 1 618 165 165 ALA C C 176.7 0.1 1 619 165 165 ALA CA C 53.3 0.1 1 620 165 165 ALA N N 127.1 0.1 1 621 166 166 GLU H H 8.06 0.01 1 622 166 166 GLU N N 122.6 0.1 1 623 167 167 PRO C C 175.9 0.1 1 624 167 167 PRO CA C 62.2 0.1 1 625 168 168 SER H H 8.40 0.01 1 626 168 168 SER C C 178.5 0.1 1 627 168 168 SER CA C 57.9 0.1 1 628 168 168 SER N N 112.6 0.1 1 629 169 169 VAL H H 7.90 0.01 1 630 169 169 VAL C C 174.9 0.1 1 631 169 169 VAL CA C 61.5 0.1 1 632 169 169 VAL N N 120.6 0.1 1 633 170 170 PHE H H 7.75 0.01 1 634 170 170 PHE C C 176.2 0.1 1 635 170 170 PHE CA C 57.4 0.1 1 636 170 170 PHE N N 121.8 0.1 1 637 171 171 VAL H H 8.01 0.01 1 638 171 171 VAL C C 175.9 0.1 1 639 171 171 VAL CA C 58.8 0.1 1 640 171 171 VAL N N 112.8 0.1 1 641 172 172 ARG H H 8.68 0.01 1 642 172 172 ARG C C 177.6 0.1 1 643 172 172 ARG CA C 57.9 0.1 1 644 172 172 ARG N N 119.6 0.1 1 645 173 173 THR H H 7.09 0.01 1 646 173 173 THR C C 174.1 0.1 1 647 173 173 THR CA C 58.7 0.1 1 648 173 173 THR N N 106.1 0.1 1 649 174 174 THR H H 9.13 0.01 1 650 174 174 THR C C 176.7 0.1 1 651 174 174 THR CA C 65.5 0.1 1 652 174 174 THR N N 121.8 0.1 1 653 175 175 ALA H H 8.49 0.01 1 654 175 175 ALA C C 180.7 0.1 1 655 175 175 ALA CA C 54.9 0.1 1 656 175 175 ALA N N 121.4 0.1 1 657 176 176 GLU H H 7.91 0.01 1 658 176 176 GLU C C 179.5 0.1 1 659 176 176 GLU CA C 58.8 0.1 1 660 176 176 GLU N N 120.6 0.1 1 661 177 177 GLY H H 7.74 0.01 1 662 177 177 GLY C C 174.6 0.1 1 663 177 177 GLY CA C 47.0 0.1 1 664 177 177 GLY N N 111.1 0.1 1 665 178 178 VAL H H 8.18 0.01 1 666 178 178 VAL C C 178.3 0.1 1 667 178 178 VAL CA C 65.6 0.1 1 668 178 178 VAL N N 121.6 0.1 1 669 179 179 ALA H H 7.99 0.01 1 670 179 179 ALA C C 179.8 0.1 1 671 179 179 ALA CA C 54.5 0.1 1 672 179 179 ALA N N 121.5 0.1 1 673 180 180 ARG H H 7.73 0.01 1 674 180 180 ARG C C 180.1 0.1 1 675 180 180 ARG CA C 59.4 0.1 1 676 180 180 ARG N N 120.2 0.1 1 677 181 181 VAL H H 8.15 0.01 1 678 181 181 VAL C C 179.6 0.1 1 679 181 181 VAL CA C 66.2 0.1 1 680 181 181 VAL N N 123.2 0.1 1 681 182 182 ARG H H 8.14 0.01 1 682 182 182 ARG C C 179.6 0.1 1 683 182 182 ARG CA C 60.3 0.1 1 684 182 182 ARG N N 118.2 0.1 1 685 183 183 LYS H H 8.46 0.01 1 686 183 183 LYS C C 178.1 0.1 1 687 183 183 LYS CA C 57.2 0.1 1 688 183 183 LYS N N 118.8 0.1 1 689 184 184 SER H H 7.42 0.01 1 690 184 184 SER C C 176.2 0.1 1 691 184 184 SER CA C 59.5 0.1 1 692 184 184 SER N N 112.9 0.1 1 693 185 185 LYS H H 8.52 0.01 1 694 185 185 LYS C C 175.6 0.1 1 695 185 185 LYS CA C 57.5 0.1 1 696 185 185 LYS N N 119.8 0.1 1 697 186 186 GLY H H 8.19 0.01 1 698 186 186 GLY C C 175.1 0.1 1 699 186 186 GLY CA C 45.1 0.1 1 700 186 186 GLY N N 105.2 0.1 1 701 187 187 LYS H H 7.36 0.01 1 702 187 187 LYS C C 175.1 0.1 1 703 187 187 LYS CA C 55.2 0.1 1 704 187 187 LYS N N 116.2 0.1 1 705 188 188 TYR H H 7.58 0.01 1 706 188 188 TYR C C 173.3 0.1 1 707 188 188 TYR CA C 57.2 0.1 1 708 188 188 TYR N N 122.4 0.1 1 709 189 189 ALA H H 8.76 0.01 1 710 189 189 ALA C C 172.4 0.1 1 711 189 189 ALA CA C 49.8 0.1 1 712 189 189 ALA N N 134.3 0.1 1 713 190 190 TYR H H 8.24 0.01 1 714 190 190 TYR C C 173.2 0.1 1 715 190 190 TYR CA C 54.2 0.1 1 716 190 190 TYR N N 120.5 0.1 1 717 191 191 LEU H H 8.06 0.01 1 718 191 191 LEU C C 173.9 0.1 1 719 191 191 LEU CA C 52.7 0.1 1 720 191 191 LEU N N 130.3 0.1 1 721 192 192 LEU H H 8.48 0.01 1 722 192 192 LEU C C 177.5 0.1 1 723 192 192 LEU CA C 53.9 0.1 1 724 192 192 LEU N N 119.9 0.1 1 725 193 193 GLU H H 8.64 0.01 1 726 193 193 GLU C C 179.3 0.1 1 727 193 193 GLU CA C 58.3 0.1 1 728 193 193 GLU N N 125.3 0.1 1 729 194 194 SER H H 9.57 0.01 1 730 194 194 SER C C 175.0 0.1 1 731 194 194 SER CA C 62.0 0.1 1 732 194 194 SER N N 120.8 0.1 1 733 195 195 THR H H 7.44 0.01 1 734 195 195 THR C C 178.3 0.1 1 735 195 195 THR CA C 62.4 0.1 1 736 195 195 THR N N 112.5 0.1 1 737 196 196 MET H H 7.34 0.01 1 738 196 196 MET C C 177.7 0.1 1 739 196 196 MET CA C 61.0 0.1 1 740 196 196 MET N N 123.0 0.1 1 741 197 197 ASN H H 7.79 0.01 1 742 197 197 ASN C C 176.7 0.1 1 743 197 197 ASN CA C 55.9 0.1 1 744 197 197 ASN N N 119.4 0.1 1 745 198 198 GLU H H 8.96 0.01 1 746 198 198 GLU C C 178.7 0.1 1 747 198 198 GLU CA C 58.6 0.1 1 748 198 198 GLU N N 115.9 0.1 1 749 199 199 TYR H H 7.25 0.01 1 750 199 199 TYR C C 177.0 0.1 1 751 199 199 TYR CA C 61.0 0.1 1 752 199 199 TYR N N 118.3 0.1 1 753 200 200 ILE H H 7.87 0.01 1 754 200 200 ILE C C 179.0 0.1 1 755 200 200 ILE CA C 62.4 0.1 1 756 200 200 ILE N N 120.2 0.1 1 757 201 201 GLU H H 8.17 0.01 1 758 201 201 GLU C C 176.2 0.1 1 759 201 201 GLU CA C 58.0 0.1 1 760 201 201 GLU N N 119.1 0.1 1 761 202 202 GLN H H 6.92 0.01 1 762 202 202 GLN C C 174.8 0.1 1 763 202 202 GLN CA C 54.1 0.1 1 764 202 202 GLN N N 112.7 0.1 1 765 203 203 ARG H H 7.47 0.01 1 766 203 203 ARG C C 176.5 0.1 1 767 203 203 ARG CA C 52.8 0.1 1 768 203 203 ARG N N 120.5 0.1 1 769 204 204 LYS H H 9.11 0.01 1 770 204 204 LYS N N 123.7 0.1 1 771 205 205 PRO C C 175.8 0.1 1 772 205 205 PRO CA C 63.0 0.1 1 773 206 206 CYS H H 9.31 0.01 1 774 206 206 CYS C C 175.8 0.1 1 775 206 206 CYS CA C 56.0 0.1 1 776 206 206 CYS N N 121.8 0.1 1 777 207 207 ASP H H 8.64 0.01 1 778 207 207 ASP C C 176.2 0.1 1 779 207 207 ASP CA C 52.9 0.1 1 780 207 207 ASP N N 117.4 0.1 1 781 208 208 THR H H 7.74 0.01 1 782 208 208 THR C C 173.3 0.1 1 783 208 208 THR CA C 59.7 0.1 1 784 208 208 THR N N 111.7 0.1 1 785 209 209 MET H H 8.87 0.01 1 786 209 209 MET C C 173.1 0.1 1 787 209 209 MET CA C 54.5 0.1 1 788 209 209 MET N N 116.6 0.1 1 789 210 210 LYS H H 8.21 0.01 1 790 210 210 LYS C C 176.7 0.1 1 791 210 210 LYS CA C 54.3 0.1 1 792 210 210 LYS N N 125.0 0.1 1 793 211 211 VAL H H 7.87 0.01 1 794 211 211 VAL C C 175.8 0.1 1 795 211 211 VAL CA C 59.5 0.1 1 796 211 211 VAL N N 122.9 0.1 1 797 212 212 GLY H H 8.55 0.01 1 798 212 212 GLY C C 174.0 0.1 1 799 212 212 GLY CA C 44.7 0.1 1 800 212 212 GLY N N 113.6 0.1 1 801 213 213 GLY H H 8.03 0.01 1 802 213 213 GLY C C 174.3 0.1 1 803 213 213 GLY CA C 43.5 0.1 1 804 213 213 GLY N N 107.4 0.1 1 805 214 214 ASN H H 8.52 0.01 1 806 214 214 ASN C C 177.7 0.1 1 807 214 214 ASN CA C 51.7 0.1 1 808 214 214 ASN N N 120.8 0.1 1 809 215 215 LEU H H 9.29 0.01 1 810 215 215 LEU C C 175.0 0.1 1 811 215 215 LEU CA C 56.0 0.1 1 812 215 215 LEU N N 121.9 0.1 1 813 216 216 ASP H H 7.33 0.01 1 814 216 216 ASP C C 174.1 0.1 1 815 216 216 ASP CA C 51.8 0.1 1 816 216 216 ASP N N 117.2 0.1 1 817 217 217 SER H H 7.60 0.01 1 818 217 217 SER C C 173.1 0.1 1 819 217 217 SER CA C 57.0 0.1 1 820 217 217 SER N N 111.1 0.1 1 821 218 218 LYS H H 8.91 0.01 1 822 218 218 LYS C C 173.3 0.1 1 823 218 218 LYS CA C 54.7 0.1 1 824 218 218 LYS N N 125.7 0.1 1 825 219 219 GLY H H 7.88 0.01 1 826 219 219 GLY C C 172.1 0.1 1 827 219 219 GLY CA C 44.2 0.1 1 828 219 219 GLY N N 106.4 0.1 1 829 220 220 TYR H H 7.13 0.01 1 830 220 220 TYR C C 175.7 0.1 1 831 220 220 TYR CA C 52.2 0.1 1 832 220 220 TYR N N 117.9 0.1 1 833 221 221 GLY H H 8.15 0.01 1 834 221 221 GLY C C 172.7 0.1 1 835 221 221 GLY CA C 43.6 0.1 1 836 221 221 GLY N N 105.1 0.1 1 837 222 222 ILE H H 8.73 0.01 1 838 222 222 ILE C C 175.9 0.1 1 839 222 222 ILE CA C 60.6 0.1 1 840 222 222 ILE N N 121.3 0.1 1 841 223 223 ALA H H 7.87 0.01 1 842 223 223 ALA C C 175.2 0.1 1 843 223 223 ALA CA C 49.6 0.1 1 844 223 223 ALA N N 130.3 0.1 1 845 224 224 THR H H 8.63 0.01 1 846 224 224 THR N N 112.1 0.1 1 847 225 225 PRO C C 176.9 0.1 1 848 225 225 PRO CA C 62.0 0.1 1 849 226 226 LYS H H 8.53 0.01 1 850 226 226 LYS C C 178.9 0.1 1 851 226 226 LYS CA C 56.7 0.1 1 852 226 226 LYS N N 122.7 0.1 1 853 227 227 GLY H H 9.10 0.01 1 854 227 227 GLY C C 174.7 0.1 1 855 227 227 GLY CA C 44.8 0.1 1 856 227 227 GLY N N 114.4 0.1 1 857 228 228 SER H H 7.65 0.01 1 858 228 228 SER C C 178.1 0.1 1 859 228 228 SER CA C 57.5 0.1 1 860 228 228 SER N N 114.7 0.1 1 861 229 229 SER H H 9.29 0.01 1 862 229 229 SER C C 175.7 0.1 1 863 229 229 SER CA C 60.2 0.1 1 864 229 229 SER N N 126.8 0.1 1 865 230 230 LEU H H 8.25 0.01 1 866 230 230 LEU C C 178.0 0.1 1 867 230 230 LEU CA C 55.7 0.1 1 868 230 230 LEU N N 123.1 0.1 1 869 231 231 GLY H H 7.28 0.01 1 870 231 231 GLY C C 176.2 0.1 1 871 231 231 GLY CA C 47.9 0.1 1 872 231 231 GLY N N 104.2 0.1 1 873 232 232 ASN H H 8.31 0.01 1 874 232 232 ASN C C 177.1 0.1 1 875 232 232 ASN CA C 56.5 0.1 1 876 232 232 ASN N N 121.4 0.1 1 877 233 233 ALA H H 7.86 0.01 1 878 233 233 ALA C C 180.8 0.1 1 879 233 233 ALA CA C 54.8 0.1 1 880 233 233 ALA N N 122.6 0.1 1 881 234 234 VAL H H 8.36 0.01 1 882 234 234 VAL C C 177.3 0.1 1 883 234 234 VAL CA C 65.6 0.1 1 884 234 234 VAL N N 117.5 0.1 1 885 235 235 ASN H H 7.90 0.01 1 886 235 235 ASN C C 177.6 0.1 1 887 235 235 ASN CA C 56.8 0.1 1 888 235 235 ASN N N 120.1 0.1 1 889 236 236 LEU H H 7.76 0.01 1 890 236 236 LEU C C 179.5 0.1 1 891 236 236 LEU CA C 57.5 0.1 1 892 236 236 LEU N N 118.5 0.1 1 893 237 237 ALA H H 7.79 0.01 1 894 237 237 ALA C C 178.8 0.1 1 895 237 237 ALA CA C 54.8 0.1 1 896 237 237 ALA N N 121.6 0.1 1 897 238 238 VAL H H 8.20 0.01 1 898 238 238 VAL C C 177.7 0.1 1 899 238 238 VAL CA C 67.6 0.1 1 900 238 238 VAL N N 119.2 0.1 1 901 239 239 LEU H H 7.83 0.01 1 902 239 239 LEU C C 180.2 0.1 1 903 239 239 LEU CA C 58.0 0.1 1 904 239 239 LEU N N 119.7 0.1 1 905 240 240 LYS H H 7.91 0.01 1 906 240 240 LYS C C 178.9 0.1 1 907 240 240 LYS CA C 58.1 0.1 1 908 240 240 LYS N N 121.2 0.1 1 909 241 241 LEU H H 8.47 0.01 1 910 241 241 LEU C C 180.2 0.1 1 911 241 241 LEU CA C 57.5 0.1 1 912 241 241 LEU N N 119.7 0.1 1 913 242 242 ASN H H 8.40 0.01 1 914 242 242 ASN C C 179.4 0.1 1 915 242 242 ASN CA C 55.9 0.1 1 916 242 242 ASN N N 118.2 0.1 1 917 243 243 GLU H H 8.32 0.01 1 918 243 243 GLU C C 178.4 0.1 1 919 243 243 GLU CA C 59.0 0.1 1 920 243 243 GLU N N 122.8 0.1 1 921 244 244 GLN H H 8.02 0.01 1 922 244 244 GLN C C 176.7 0.1 1 923 244 244 GLN CA C 56.0 0.1 1 924 244 244 GLN N N 115.2 0.1 1 925 245 245 GLY H H 7.83 0.01 1 926 245 245 GLY C C 176.0 0.1 1 927 245 245 GLY CA C 45.4 0.1 1 928 245 245 GLY N N 108.1 0.1 1 929 246 246 LEU H H 7.81 0.01 1 930 246 246 LEU C C 179.1 0.1 1 931 246 246 LEU CA C 56.9 0.1 1 932 246 246 LEU N N 121.6 0.1 1 933 247 247 LEU H H 7.27 0.01 1 934 247 247 LEU C C 180.6 0.1 1 935 247 247 LEU CA C 58.0 0.1 1 936 247 247 LEU N N 117.2 0.1 1 937 248 248 ASP H H 7.78 0.01 1 938 248 248 ASP C C 178.4 0.1 1 939 248 248 ASP CA C 57.2 0.1 1 940 248 248 ASP N N 121.8 0.1 1 941 249 249 LYS H H 7.56 0.01 1 942 249 249 LYS C C 180.2 0.1 1 943 249 249 LYS CA C 59.5 0.1 1 944 249 249 LYS N N 120.9 0.1 1 945 250 250 LEU H H 8.47 0.01 1 946 250 250 LEU C C 179.6 0.1 1 947 250 250 LEU CA C 57.6 0.1 1 948 250 250 LEU N N 120.6 0.1 1 949 251 251 LYS H H 8.15 0.01 1 950 251 251 LYS C C 178.9 0.1 1 951 251 251 LYS CA C 59.2 0.1 1 952 251 251 LYS N N 122.4 0.1 1 953 252 252 ASN H H 8.21 0.01 1 954 252 252 ASN C C 177.1 0.1 1 955 252 252 ASN CA C 56.9 0.1 1 956 252 252 ASN N N 118.7 0.1 1 957 253 253 LYS H H 8.09 0.01 1 958 253 253 LYS C C 177.9 0.1 1 959 253 253 LYS CA C 58.8 0.1 1 960 253 253 LYS N N 120.1 0.1 1 961 254 254 TRP H H 7.64 0.01 1 962 254 254 TRP C C 175.6 0.1 1 963 254 254 TRP CA C 58.5 0.1 1 964 254 254 TRP N N 115.8 0.1 1 965 255 255 TRP H H 8.90 0.01 1 966 255 255 TRP C C 177.1 0.1 1 967 255 255 TRP CA C 61.0 0.1 1 968 255 255 TRP N N 120.5 0.1 1 969 256 256 TYR H H 7.20 0.01 1 970 256 256 TYR C C 177.4 0.1 1 971 256 256 TYR CA C 58.7 0.1 1 972 256 256 TYR N N 117.9 0.1 1 973 257 257 ASP H H 8.62 0.01 1 974 257 257 ASP C C 176.7 0.1 1 975 257 257 ASP CA C 55.8 0.1 1 976 257 257 ASP N N 123.7 0.1 1 977 258 258 LYS H H 7.99 0.01 1 978 258 258 LYS C C 176.7 0.1 1 979 258 258 LYS CA C 54.9 0.1 1 980 258 258 LYS N N 119.5 0.1 1 981 259 259 GLY H H 7.95 0.01 1 982 259 259 GLY C C 175.5 0.1 1 983 259 259 GLY CA C 46.1 0.1 1 984 259 259 GLY N N 108.9 0.1 1 985 260 260 GLU H H 8.55 0.01 1 986 260 260 GLU C C 177.1 0.1 1 987 260 260 GLU CA C 56.2 0.1 1 988 260 260 GLU N N 120.3 0.1 1 989 261 261 CYS H H 8.34 0.01 1 990 261 261 CYS C C 175.9 0.1 1 991 261 261 CYS CA C 53.2 0.1 1 992 261 261 CYS N N 117.9 0.1 1 993 262 262 GLY H H 8.31 0.01 1 994 262 262 GLY C C 173.4 0.1 1 995 262 262 GLY CA C 45.0 0.1 1 996 262 262 GLY N N 111.7 0.1 1 997 263 263 SER H H 7.89 0.01 1 998 263 263 SER N N 122.0 0.1 1 stop_ save_