data_15493 ####################### # 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 15493 _BMRB_flat_file_name bmr15493.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" 509 "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 15492 willardiine-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 'chemical shift' 'glutamate receptor' 'ion channel' 'partial agonist' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name fluorowillardiine-S1S2 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label S1S2 $S1S2 fluorowillardiine $FWD 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 15492 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_FWD _Saveframe_category ligand _Mol_type non-polymer _Name_common "FWD (2-AMINO-3-(5-FLUORO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID)" _BMRB_code . _PDB_code FWD _Molecular_mass 217.155 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details ; fluorowillardiine (Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 20 21:37:21 2007) ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C2 C2 C N 0 . ? C4 C4 C N 0 . ? C5 C5 C N 0 . ? C6 C6 C N 0 . ? C7 C7 C N 0 . ? C8 C8 C S 0 . ? C9 C9 C N 0 . ? F5 F5 F N 0 . ? H3 H3 H N 0 . ? H6 H6 H N 0 . ? H71 H71 H N 0 . ? H72 H72 H N 0 . ? H8 H8 H N 0 . ? H81 H81 H N 0 . ? H82 H82 H N 0 . ? H92O H92O H N 0 . ? N1 N1 N N 0 . ? N3 N3 N N 0 . ? N8 N8 N N 0 . ? O2 O2 O N 0 . ? O4 O4 O N 0 . ? O91 O91 O N 0 . ? O92 O92 O N 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 ? ? SING C5 F5 ? ? DOUB C5 C6 ? ? 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]' fluorowillardiine 5 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 'chemical shift assignment' 'peak picking' 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_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _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 'ionic strength' 53.0 . mM pH 5.0 . 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 C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 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 HNCA' '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 124.1 0.1 1 7 3 3 ASN H H 8.50 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 119.2 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 62.7 0.1 1 18 5 5 THR N N 121.7 0.1 1 19 6 6 VAL H H 8.66 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 176.3 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 8.95 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 7.77 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 172.2 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 7.84 0.01 1 44 12 12 LEU C C 174.9 0.1 1 45 12 12 LEU CA C 54.6 0.1 1 46 12 12 LEU N N 124.8 0.1 1 47 13 13 GLU H H 7.66 0.01 1 48 13 13 GLU C C 176.4 0.1 1 49 13 13 GLU CA C 54.7 0.1 1 50 13 13 GLU N N 128.8 0.1 1 51 14 14 SER H H 9.52 0.01 1 52 14 14 SER CA C 58.3 0.1 1 53 14 14 SER N N 131.7 0.1 1 54 15 15 PRO C C 173.7 0.1 1 55 15 15 PRO CA C 63.2 0.1 1 56 16 16 TYR H H 8.22 0.01 1 57 16 16 TYR C C 177.0 0.1 1 58 16 16 TYR CA C 61.4 0.1 1 59 16 16 TYR N N 124.8 0.1 1 60 17 17 VAL H H 7.87 0.01 1 61 17 17 VAL C C 173.9 0.1 1 62 17 17 VAL CA C 63.6 0.1 1 63 17 17 VAL N N 118.0 0.1 1 64 18 18 MET H H 9.28 0.01 1 65 18 18 MET C C 175.1 0.1 1 66 18 18 MET CA C 53.2 0.1 1 67 18 18 MET N N 126.0 0.1 1 68 19 19 MET H H 8.72 0.01 1 69 19 19 MET C C 177.8 0.1 1 70 19 19 MET CA C 54.3 0.1 1 71 19 19 MET N N 120.0 0.1 1 72 20 20 LYS H H 8.49 0.01 1 73 20 20 LYS C C 177.5 0.1 1 74 20 20 LYS CA C 56.9 0.1 1 75 20 20 LYS N N 126.6 0.1 1 76 21 21 LYS H H 8.82 0.01 1 77 21 21 LYS C C 177.4 0.1 1 78 21 21 LYS CA C 58.1 0.1 1 79 21 21 LYS N N 123.9 0.1 1 80 22 22 ASN H H 8.71 0.01 1 81 22 22 ASN C C 176.1 0.1 1 82 22 22 ASN CA C 52.9 0.1 1 83 22 22 ASN N N 117.0 0.1 1 84 23 23 HIS H H 7.62 0.01 1 85 23 23 HIS C C 175.5 0.1 1 86 23 23 HIS CA C 58.2 0.1 1 87 23 23 HIS N N 115.5 0.1 1 88 24 24 GLU H H 8.67 0.01 1 89 24 24 GLU C C 177.2 0.1 1 90 24 24 GLU CA C 58.5 0.1 1 91 24 24 GLU N N 121.0 0.1 1 92 25 25 MET H H 7.83 0.01 1 93 25 25 MET C C 175.4 0.1 1 94 25 25 MET CA C 54.5 0.1 1 95 25 25 MET N N 116.6 0.1 1 96 26 26 LEU H H 7.42 0.01 1 97 26 26 LEU C C 175.0 0.1 1 98 26 26 LEU CA C 53.1 0.1 1 99 26 26 LEU N N 122.1 0.1 1 100 27 27 GLU H H 8.32 0.01 1 101 27 27 GLU C C 177.0 0.1 1 102 27 27 GLU CA C 54.0 0.1 1 103 27 27 GLU N N 118.4 0.1 1 104 28 28 GLY H H 8.79 0.01 1 105 28 28 GLY C C 177.2 0.1 1 106 28 28 GLY CA C 46.1 0.1 1 107 28 28 GLY N N 109.7 0.1 1 108 29 29 ASN H H 9.48 0.01 1 109 29 29 ASN C C 176.3 0.1 1 110 29 29 ASN CA C 55.1 0.1 1 111 29 29 ASN N N 125.5 0.1 1 112 30 30 GLU H H 7.79 0.01 1 113 30 30 GLU C C 176.1 0.1 1 114 30 30 GLU CA C 57.0 0.1 1 115 30 30 GLU N N 116.5 0.1 1 116 31 31 ARG H H 6.84 0.01 1 117 31 31 ARG C C 174.3 0.1 1 118 31 31 ARG CA C 58.2 0.1 1 119 31 31 ARG N N 114.7 0.1 1 120 32 32 TYR H H 6.85 0.01 1 121 32 32 TYR C C 173.9 0.1 1 122 32 32 TYR CA C 55.3 0.1 1 123 32 32 TYR N N 114.3 0.1 1 124 33 33 GLU H H 9.15 0.01 1 125 33 33 GLU C C 172.9 0.1 1 126 33 33 GLU CA C 53.4 0.1 1 127 33 33 GLU N N 116.1 0.1 1 128 34 34 GLY H H 8.19 0.01 1 129 34 34 GLY C C 174.3 0.1 1 130 34 34 GLY CA C 42.0 0.1 1 131 34 34 GLY N N 109.2 0.1 1 132 35 35 TYR H H 7.32 0.01 1 133 35 35 TYR C C 178.3 0.1 1 134 35 35 TYR CA C 62.4 0.1 1 135 35 35 TYR N N 119.3 0.1 1 136 36 36 CYS H H 10.14 0.01 1 137 36 36 CYS C C 175.5 0.1 1 138 36 36 CYS CA C 63.7 0.1 1 139 36 36 CYS N N 114.4 0.1 1 140 37 37 VAL H H 6.61 0.01 1 141 37 37 VAL C C 178.6 0.1 1 142 37 37 VAL CA C 66.1 0.1 1 143 37 37 VAL N N 124.1 0.1 1 144 38 38 ASP H H 8.07 0.01 1 145 38 38 ASP C C 179.1 0.1 1 146 38 38 ASP CA C 56.9 0.1 1 147 38 38 ASP N N 123.0 0.1 1 148 39 39 LEU H H 8.30 0.01 1 149 39 39 LEU C C 177.8 0.1 1 150 39 39 LEU CA C 57.5 0.1 1 151 39 39 LEU N N 120.8 0.1 1 152 40 40 ALA H H 7.93 0.01 1 153 40 40 ALA C C 177.8 0.1 1 154 40 40 ALA CA C 55.1 0.1 1 155 40 40 ALA N N 120.5 0.1 1 156 41 41 ALA H H 7.21 0.01 1 157 41 41 ALA C C 181.4 0.1 1 158 41 41 ALA CA C 54.9 0.1 1 159 41 41 ALA N N 118.6 0.1 1 160 42 42 GLU H H 7.67 0.01 1 161 42 42 GLU C C 180.1 0.1 1 162 42 42 GLU CA C 58.1 0.1 1 163 42 42 GLU N N 118.3 0.1 1 164 43 43 ILE H H 8.59 0.01 1 165 43 43 ILE C C 177.6 0.1 1 166 43 43 ILE CA C 64.1 0.1 1 167 43 43 ILE N N 122.0 0.1 1 168 44 44 ALA H H 8.17 0.01 1 169 44 44 ALA C C 180.0 0.1 1 170 44 44 ALA CA C 54.9 0.1 1 171 44 44 ALA N N 123.3 0.1 1 172 45 45 LYS H H 7.53 0.01 1 173 45 45 LYS C C 179.1 0.1 1 174 45 45 LYS CA C 58.6 0.1 1 175 45 45 LYS N N 118.1 0.1 1 176 46 46 HIS H H 7.62 0.01 1 177 46 46 HIS C C 177.2 0.1 1 178 46 46 HIS CA C 59.2 0.1 1 179 46 46 HIS N N 117.3 0.1 1 180 47 47 CYS H H 8.06 0.01 1 181 47 47 CYS C C 175.2 0.1 1 182 47 47 CYS CA C 60.2 0.1 1 183 47 47 CYS N N 114.6 0.1 1 184 48 48 GLY H H 7.87 0.01 1 185 48 48 GLY C C 174.0 0.1 1 186 48 48 GLY CA C 46.3 0.1 1 187 48 48 GLY N N 109.9 0.1 1 188 49 49 PHE H H 7.11 0.01 1 189 49 49 PHE C C 174.7 0.1 1 190 49 49 PHE CA C 54.0 0.1 1 191 49 49 PHE N N 114.6 0.1 1 192 50 50 LYS H H 8.79 0.01 1 193 50 50 LYS C C 176.4 0.1 1 194 50 50 LYS CA C 54.8 0.1 1 195 50 50 LYS N N 121.7 0.1 1 196 51 51 TYR H H 8.38 0.01 1 197 51 51 TYR C C 173.9 0.1 1 198 51 51 TYR CA C 55.4 0.1 1 199 51 51 TYR N N 117.5 0.1 1 200 52 52 LYS H H 8.81 0.01 1 201 52 52 LYS C C 175.4 0.1 1 202 52 52 LYS CA C 54.0 0.1 1 203 52 52 LYS N N 122.8 0.1 1 204 53 53 LEU H H 8.75 0.01 1 205 53 53 LEU C C 176.2 0.1 1 206 53 53 LEU CA C 54.9 0.1 1 207 53 53 LEU N N 125.8 0.1 1 208 54 54 THR H H 8.67 0.01 1 209 54 54 THR C C 171.1 0.1 1 210 54 54 THR CA C 59.7 0.1 1 211 54 54 THR N N 119.9 0.1 1 212 55 55 ILE H H 8.10 0.01 1 213 55 55 ILE C C 176.7 0.1 1 214 55 55 ILE CA C 57.1 0.1 1 215 55 55 ILE N N 123.6 0.1 1 216 56 56 VAL H H 8.71 0.01 1 217 56 56 VAL C C 177.4 0.1 1 218 56 56 VAL CA C 60.9 0.1 1 219 56 56 VAL N N 131.0 0.1 1 220 57 57 GLY H H 8.85 0.01 1 221 57 57 GLY C C 175.4 0.1 1 222 57 57 GLY CA C 47.8 0.1 1 223 57 57 GLY N N 118.8 0.1 1 224 58 58 ASP H H 7.80 0.01 1 225 58 58 ASP C C 178.2 0.1 1 226 58 58 ASP CA C 52.2 0.1 1 227 58 58 ASP N N 117.3 0.1 1 228 59 59 GLY H H 7.34 0.01 1 229 59 59 GLY C C 173.6 0.1 1 230 59 59 GLY CA C 46.1 0.1 1 231 59 59 GLY N N 106.4 0.1 1 232 60 60 LYS H H 7.83 0.01 1 233 60 60 LYS C C 175.6 0.1 1 234 60 60 LYS CA C 54.4 0.1 1 235 60 60 LYS N N 119.8 0.1 1 236 61 61 TYR H H 8.34 0.01 1 237 61 61 TYR C C 177.7 0.1 1 238 61 61 TYR CA C 61.7 0.1 1 239 61 61 TYR N N 119.3 0.1 1 240 62 62 GLY H H 8.11 0.01 1 241 62 62 GLY C C 172.8 0.1 1 242 62 62 GLY CA C 46.5 0.1 1 243 62 62 GLY N N 104.0 0.1 1 244 63 63 ALA H H 8.82 0.01 1 245 63 63 ALA C C 174.1 0.1 1 246 63 63 ALA CA C 50.9 0.1 1 247 63 63 ALA N N 134.0 0.1 1 248 64 64 ARG H H 7.75 0.01 1 249 64 64 ARG C C 175.9 0.1 1 250 64 64 ARG CA C 53.7 0.1 1 251 64 64 ARG N N 123.1 0.1 1 252 65 65 ASP H H 7.79 0.01 1 253 65 65 ASP C C 177.4 0.1 1 254 65 65 ASP CA C 54.8 0.1 1 255 65 65 ASP N N 130.4 0.1 1 256 66 66 ALA H H 8.66 0.01 1 257 66 66 ALA C C 178.1 0.1 1 258 66 66 ALA CA C 54.3 0.1 1 259 66 66 ALA N N 129.6 0.1 1 260 67 67 ASP H H 8.36 0.01 1 261 67 67 ASP C C 177.8 0.1 1 262 67 67 ASP CA C 55.9 0.1 1 263 67 67 ASP N N 116.3 0.1 1 264 68 68 THR H H 8.59 0.01 1 265 68 68 THR C C 175.9 0.1 1 266 68 68 THR CA C 61.9 0.1 1 267 68 68 THR N N 110.5 0.1 1 268 69 69 LYS H H 7.75 0.01 1 269 69 69 LYS C C 174.8 0.1 1 270 69 69 LYS CA C 57.1 0.1 1 271 69 69 LYS N N 114.9 0.1 1 272 70 70 ILE H H 7.31 0.01 1 273 70 70 ILE C C 178.0 0.1 1 274 70 70 ILE CA C 59.8 0.1 1 275 70 70 ILE N N 120.2 0.1 1 276 71 71 TRP H H 8.60 0.01 1 277 71 71 TRP C C 175.5 0.1 1 278 71 71 TRP CA C 57.6 0.1 1 279 71 71 TRP N N 129.8 0.1 1 280 72 72 ASN H H 8.28 0.01 1 281 72 72 ASN C C 176.6 0.1 1 282 72 72 ASN CA C 49.8 0.1 1 283 72 72 ASN N N 121.1 0.1 1 284 73 73 GLY H H 9.98 0.01 1 285 73 73 GLY C C 176.5 0.1 1 286 73 73 GLY CA C 46.3 0.1 1 287 73 73 GLY N N 107.5 0.1 1 288 74 74 MET H H 7.46 0.01 1 289 74 74 MET C C 177.9 0.1 1 290 74 74 MET CA C 59.0 0.1 1 291 74 74 MET N N 123.8 0.1 1 292 75 75 VAL H H 7.29 0.01 1 293 75 75 VAL C C 177.2 0.1 1 294 75 75 VAL CA C 66.8 0.1 1 295 75 75 VAL N N 114.7 0.1 1 296 76 76 GLY H H 7.72 0.01 1 297 76 76 GLY C C 174.3 0.1 1 298 76 76 GLY CA C 46.8 0.1 1 299 76 76 GLY N N 106.9 0.1 1 300 77 77 GLU H H 7.53 0.01 1 301 77 77 GLU C C 178.8 0.1 1 302 77 77 GLU CA C 60.0 0.1 1 303 77 77 GLU N N 119.2 0.1 1 304 78 78 LEU H H 7.17 0.01 1 305 78 78 LEU C C 179.2 0.1 1 306 78 78 LEU CA C 56.5 0.1 1 307 78 78 LEU N N 117.1 0.1 1 308 79 79 VAL H H 8.06 0.01 1 309 79 79 VAL C C 178.5 0.1 1 310 79 79 VAL CA C 65.1 0.1 1 311 79 79 VAL N N 119.9 0.1 1 312 80 80 TYR H H 8.07 0.01 1 313 80 80 TYR C C 177.0 0.1 1 314 80 80 TYR CA C 56.3 0.1 1 315 80 80 TYR N N 115.3 0.1 1 316 81 81 GLY H H 7.15 0.01 1 317 81 81 GLY C C 175.1 0.1 1 318 81 81 GLY CA C 46.8 0.1 1 319 81 81 GLY N N 107.3 0.1 1 320 82 82 LYS H H 8.52 0.01 1 321 82 82 LYS C C 175.7 0.1 1 322 82 82 LYS CA C 55.8 0.1 1 323 82 82 LYS N N 119.2 0.1 1 324 83 83 ALA H H 7.39 0.01 1 325 83 83 ALA C C 174.5 0.1 1 326 83 83 ALA CA C 50.2 0.1 1 327 83 83 ALA N N 119.9 0.1 1 328 84 84 ASP H H 8.67 0.01 1 329 84 84 ASP C C 175.0 0.1 1 330 84 84 ASP CA C 55.8 0.1 1 331 84 84 ASP N N 118.4 0.1 1 332 85 85 ILE H H 7.54 0.01 1 333 85 85 ILE C C 172.3 0.1 1 334 85 85 ILE CA C 59.1 0.1 1 335 85 85 ILE N N 114.9 0.1 1 336 86 86 ALA H H 9.31 0.01 1 337 86 86 ALA C C 177.7 0.1 1 338 86 86 ALA CA C 50.0 0.1 1 339 86 86 ALA N N 129.0 0.1 1 340 87 87 ILE H H 7.31 0.01 1 341 87 87 ILE C C 172.3 0.1 1 342 87 87 ILE CA C 61.5 0.1 1 343 87 87 ILE N N 123.8 0.1 1 344 88 88 ALA H H 9.24 0.01 1 345 88 88 ALA CA C 50.9 0.1 1 346 88 88 ALA N N 131.3 0.1 1 347 89 89 PRO C C 171.7 0.1 1 348 89 89 PRO CA C 59.9 0.1 1 349 90 90 LEU H H 7.85 0.01 1 350 90 90 LEU C C 174.4 0.1 1 351 90 90 LEU CA C 52.8 0.1 1 352 90 90 LEU N N 127.6 0.1 1 353 91 91 THR H H 9.24 0.01 1 354 91 91 THR C C 173.5 0.1 1 355 91 91 THR CA C 62.8 0.1 1 356 91 91 THR N N 124.4 0.1 1 357 92 92 ILE H H 8.08 0.01 1 358 92 92 ILE C C 175.8 0.1 1 359 92 92 ILE CA C 62.1 0.1 1 360 92 92 ILE N N 128.5 0.1 1 361 93 93 THR H H 6.28 0.01 1 362 93 93 THR C C 173.9 0.1 1 363 93 93 THR CA C 57.8 0.1 1 364 93 93 THR N N 117.8 0.1 1 365 94 94 LEU H H 8.43 0.01 1 366 94 94 LEU C C 180.2 0.1 1 367 94 94 LEU CA C 57.7 0.1 1 368 94 94 LEU N N 124.6 0.1 1 369 95 95 VAL H H 7.94 0.01 1 370 95 95 VAL C C 179.2 0.1 1 371 95 95 VAL CA C 65.0 0.1 1 372 95 95 VAL N N 117.2 0.1 1 373 96 96 ARG H H 7.40 0.01 1 374 96 96 ARG C C 178.0 0.1 1 375 96 96 ARG CA C 58.6 0.1 1 376 96 96 ARG N N 118.6 0.1 1 377 97 97 GLU H H 8.13 0.01 1 378 97 97 GLU C C 176.7 0.1 1 379 97 97 GLU CA C 57.5 0.1 1 380 97 97 GLU N N 119.7 0.1 1 381 98 98 GLU H H 7.11 0.01 1 382 98 98 GLU C C 178.2 0.1 1 383 98 98 GLU CA C 58.5 0.1 1 384 98 98 GLU N N 116.1 0.1 1 385 99 99 VAL H H 7.53 0.01 1 386 99 99 VAL C C 174.5 0.1 1 387 99 99 VAL CA C 61.0 0.1 1 388 99 99 VAL N N 107.5 0.1 1 389 100 100 ILE H H 7.97 0.01 1 390 100 100 ILE C C 172.5 0.1 1 391 100 100 ILE CA C 59.6 0.1 1 392 100 100 ILE N N 118.5 0.1 1 393 101 101 ASP H H 8.35 0.01 1 394 101 101 ASP C C 175.4 0.1 1 395 101 101 ASP CA C 52.4 0.1 1 396 101 101 ASP N N 118.2 0.1 1 397 102 102 PHE H H 8.66 0.01 1 398 102 102 PHE C C 176.9 0.1 1 399 102 102 PHE CA C 56.3 0.1 1 400 102 102 PHE N N 117.4 0.1 1 401 103 103 SER H H 8.73 0.01 1 402 103 103 SER C C 175.2 0.1 1 403 103 103 SER CA C 57.8 0.1 1 404 103 103 SER N N 116.2 0.1 1 405 104 104 LYS H H 8.44 0.01 1 406 104 104 LYS CA C 54.6 0.1 1 407 104 104 LYS N N 119.3 0.1 1 408 105 105 PRO C C 177.9 0.1 1 409 105 105 PRO CA C 62.4 0.1 1 410 106 106 PHE H H 8.30 0.01 1 411 106 106 PHE C C 173.8 0.1 1 412 106 106 PHE CA C 55.0 0.1 1 413 106 106 PHE N N 116.3 0.1 1 414 107 107 MET H H 6.74 0.01 1 415 107 107 MET C C 173.2 0.1 1 416 107 107 MET CA C 55.9 0.1 1 417 107 107 MET N N 120.4 0.1 1 418 108 108 SER H H 8.05 0.01 1 419 108 108 SER C C 172.6 0.1 1 420 108 108 SER CA C 57.1 0.1 1 421 108 108 SER N N 119.8 0.1 1 422 109 109 LEU H H 8.10 0.01 1 423 109 109 LEU C C 174.0 0.1 1 424 109 109 LEU CA C 55.1 0.1 1 425 109 109 LEU N N 119.9 0.1 1 426 110 110 GLY H H 8.01 0.01 1 427 110 110 GLY C C 172.5 0.1 1 428 110 110 GLY CA C 44.9 0.1 1 429 110 110 GLY N N 105.5 0.1 1 430 111 111 ILE H H 9.31 0.01 1 431 111 111 ILE C C 173.4 0.1 1 432 111 111 ILE CA C 64.1 0.1 1 433 111 111 ILE N N 125.0 0.1 1 434 112 112 SER H H 8.78 0.01 1 435 112 112 SER C C 170.9 0.1 1 436 112 112 SER CA C 56.4 0.1 1 437 112 112 SER N N 122.7 0.1 1 438 113 113 ILE H H 8.45 0.01 1 439 113 113 ILE C C 175.2 0.1 1 440 113 113 ILE CA C 60.9 0.1 1 441 113 113 ILE N N 119.0 0.1 1 442 114 114 MET H H 9.54 0.01 1 443 114 114 MET C C 174.6 0.1 1 444 114 114 MET CA C 54.0 0.1 1 445 114 114 MET N N 130.9 0.1 1 446 115 115 ILE H H 8.36 0.01 1 447 115 115 ILE C C 176.1 0.1 1 448 115 115 ILE CA C 57.8 0.1 1 449 115 115 ILE N N 116.9 0.1 1 450 116 116 LYS H H 8.66 0.01 1 451 116 116 LYS C C 177.9 0.1 1 452 116 116 LYS CA C 55.0 0.1 1 453 116 116 LYS N N 122.9 0.1 1 454 117 117 LYS H H 8.63 0.01 1 455 117 117 LYS C C 176.9 0.1 1 456 117 117 LYS CA C 59.7 0.1 1 457 117 117 LYS N N 130.8 0.1 1 458 118 118 GLY H H 8.71 0.01 1 459 118 118 GLY CA C 44.0 0.1 1 460 118 118 GLY N N 113.4 0.1 1 461 123 123 SER C C 174.0 0.1 1 462 123 123 SER CA C 56.3 0.1 1 463 124 124 ALA H H 9.19 0.01 1 464 124 124 ALA C C 178.4 0.1 1 465 124 124 ALA CA C 54.8 0.1 1 466 124 124 ALA N N 123.8 0.1 1 467 125 125 GLU H H 8.52 0.01 1 468 125 125 GLU C C 179.8 0.1 1 469 125 125 GLU CA C 59.5 0.1 1 470 125 125 GLU N N 118.3 0.1 1 471 126 126 ASP H H 7.87 0.01 1 472 126 126 ASP CA C 57.0 0.1 1 473 126 126 ASP N N 120.0 0.1 1 474 127 127 LEU C C 179.0 0.1 1 475 127 127 LEU CA C 57.1 0.1 1 476 128 128 SER H H 7.96 0.01 1 477 128 128 SER C C 174.8 0.1 1 478 128 128 SER CA C 60.6 0.1 1 479 128 128 SER N N 112.1 0.1 1 480 129 129 LYS H H 7.00 0.01 1 481 129 129 LYS C C 174.7 0.1 1 482 129 129 LYS CA C 56.1 0.1 1 483 129 129 LYS N N 120.6 0.1 1 484 130 130 GLN H H 7.65 0.01 1 485 130 130 GLN C C 174.1 0.1 1 486 130 130 GLN CA C 53.1 0.1 1 487 130 130 GLN N N 116.8 0.1 1 488 131 131 THR H H 8.51 0.01 1 489 131 131 THR C C 174.4 0.1 1 490 131 131 THR CA C 60.7 0.1 1 491 131 131 THR N N 107.1 0.1 1 492 132 132 GLU H H 7.33 0.01 1 493 132 132 GLU C C 176.5 0.1 1 494 132 132 GLU CA C 58.7 0.1 1 495 132 132 GLU N N 125.4 0.1 1 496 133 133 ILE H H 9.71 0.01 1 497 133 133 ILE C C 176.1 0.1 1 498 133 133 ILE CA C 60.5 0.1 1 499 133 133 ILE N N 122.8 0.1 1 500 134 134 ALA H H 7.87 0.01 1 501 134 134 ALA C C 175.1 0.1 1 502 134 134 ALA CA C 51.0 0.1 1 503 134 134 ALA N N 130.6 0.1 1 504 135 135 TYR H H 6.37 0.01 1 505 135 135 TYR C C 172.8 0.1 1 506 135 135 TYR CA C 54.3 0.1 1 507 135 135 TYR N N 112.4 0.1 1 508 136 136 GLY H H 6.56 0.01 1 509 136 136 GLY C C 170.7 0.1 1 510 136 136 GLY CA C 44.5 0.1 1 511 136 136 GLY N N 101.4 0.1 1 512 137 137 THR H H 6.20 0.01 1 513 137 137 THR C C 174.3 0.1 1 514 137 137 THR CA C 60.0 0.1 1 515 137 137 THR N N 104.9 0.1 1 516 138 138 LEU H H 10.14 0.01 1 517 138 138 LEU C C 180.8 0.1 1 518 138 138 LEU CA C 55.8 0.1 1 519 138 138 LEU N N 125.7 0.1 1 520 139 139 ASP H H 9.37 0.01 1 521 139 139 ASP C C 177.0 0.1 1 522 139 139 ASP CA C 55.1 0.1 1 523 139 139 ASP N N 127.6 0.1 1 524 140 140 SER H H 7.55 0.01 1 525 140 140 SER C C 173.0 0.1 1 526 140 140 SER CA C 58.2 0.1 1 527 140 140 SER N N 111.4 0.1 1 528 141 141 GLY H H 7.58 0.01 1 529 141 141 GLY C C 174.1 0.1 1 530 141 141 GLY CA C 44.0 0.1 1 531 141 141 GLY N N 109.2 0.1 1 532 142 142 SER H H 9.05 0.01 1 533 142 142 SER C C 178.3 0.1 1 534 142 142 SER CA C 61.3 0.1 1 535 142 142 SER N N 117.2 0.1 1 536 143 143 THR H H 9.31 0.01 1 537 143 143 THR C C 175.6 0.1 1 538 143 143 THR CA C 67.5 0.1 1 539 143 143 THR N N 128.7 0.1 1 540 144 144 LYS H H 8.95 0.01 1 541 144 144 LYS C C 178.7 0.1 1 542 144 144 LYS CA C 60.5 0.1 1 543 144 144 LYS N N 124.4 0.1 1 544 145 145 GLU H H 7.34 0.01 1 545 145 145 GLU C C 177.8 0.1 1 546 145 145 GLU CA C 57.8 0.1 1 547 145 145 GLU N N 114.6 0.1 1 548 146 146 PHE H H 7.89 0.01 1 549 146 146 PHE C C 177.7 0.1 1 550 146 146 PHE CA C 60.6 0.1 1 551 146 146 PHE N N 120.5 0.1 1 552 147 147 PHE H H 7.13 0.01 1 553 147 147 PHE C C 175.6 0.1 1 554 147 147 PHE CA C 62.9 0.1 1 555 147 147 PHE N N 116.6 0.1 1 556 148 148 ARG H H 7.32 0.01 1 557 148 148 ARG C C 177.0 0.1 1 558 148 148 ARG CA C 57.5 0.1 1 559 148 148 ARG N N 119.3 0.1 1 560 149 149 ARG H H 7.06 0.01 1 561 149 149 ARG C C 177.1 0.1 1 562 149 149 ARG CA C 54.6 0.1 1 563 149 149 ARG N N 112.2 0.1 1 564 150 150 SER H H 6.83 0.01 1 565 150 150 SER C C 176.4 0.1 1 566 150 150 SER CA C 60.1 0.1 1 567 150 150 SER N N 115.2 0.1 1 568 151 151 LYS H H 8.74 0.01 1 569 151 151 LYS C C 176.9 0.1 1 570 151 151 LYS CA C 54.6 0.1 1 571 151 151 LYS N N 125.5 0.1 1 572 152 152 ILE H H 8.04 0.01 1 573 152 152 ILE C C 177.4 0.1 1 574 152 152 ILE CA C 60.2 0.1 1 575 152 152 ILE N N 125.4 0.1 1 576 153 153 ALA H H 8.60 0.01 1 577 153 153 ALA C C 180.3 0.1 1 578 153 153 ALA CA C 56.1 0.1 1 579 153 153 ALA N N 132.2 0.1 1 580 154 154 VAL H H 8.01 0.01 1 581 154 154 VAL C C 176.4 0.1 1 582 154 154 VAL CA C 65.6 0.1 1 583 154 154 VAL N N 117.1 0.1 1 584 155 155 PHE H H 6.19 0.01 1 585 155 155 PHE C C 178.0 0.1 1 586 155 155 PHE CA C 57.5 0.1 1 587 155 155 PHE N N 120.5 0.1 1 588 156 156 ASP H H 8.70 0.01 1 589 156 156 ASP C C 179.4 0.1 1 590 156 156 ASP CA C 56.6 0.1 1 591 156 156 ASP N N 122.8 0.1 1 592 157 157 LYS H H 8.38 0.01 1 593 157 157 LYS C C 180.2 0.1 1 594 157 157 LYS CA C 59.5 0.1 1 595 157 157 LYS N N 123.1 0.1 1 596 158 158 MET H H 8.06 0.01 1 597 158 158 MET C C 178.3 0.1 1 598 158 158 MET CA C 58.5 0.1 1 599 158 158 MET N N 119.6 0.1 1 600 159 159 TRP H H 9.27 0.01 1 601 159 159 TRP C C 176.5 0.1 1 602 159 159 TRP CA C 59.3 0.1 1 603 159 159 TRP N N 122.6 0.1 1 604 160 160 THR H H 8.60 0.01 1 605 160 160 THR C C 176.5 0.1 1 606 160 160 THR CA C 66.6 0.1 1 607 160 160 THR N N 114.5 0.1 1 608 161 161 TYR H H 7.57 0.01 1 609 161 161 TYR C C 177.3 0.1 1 610 161 161 TYR CA C 60.3 0.1 1 611 161 161 TYR N N 121.9 0.1 1 612 162 162 MET H H 8.57 0.01 1 613 162 162 MET C C 177.8 0.1 1 614 162 162 MET CA C 59.4 0.1 1 615 162 162 MET N N 120.6 0.1 1 616 163 163 ARG H H 8.30 0.01 1 617 163 163 ARG C C 177.0 0.1 1 618 163 163 ARG CA C 57.6 0.1 1 619 163 163 ARG N N 114.7 0.1 1 620 164 164 SER H H 6.63 0.01 1 621 164 164 SER C C 173.7 0.1 1 622 164 164 SER CA C 57.4 0.1 1 623 164 164 SER N N 112.1 0.1 1 624 165 165 ALA H H 6.73 0.01 1 625 165 165 ALA C C 176.7 0.1 1 626 165 165 ALA CA C 53.2 0.1 1 627 165 165 ALA N N 127.0 0.1 1 628 166 166 GLU H H 8.06 0.01 1 629 166 166 GLU CA C 53.1 0.1 1 630 166 166 GLU N N 122.7 0.1 1 631 167 167 PRO C C 175.9 0.1 1 632 167 167 PRO CA C 62.3 0.1 1 633 168 168 SER H H 8.40 0.01 1 634 168 168 SER C C 178.5 0.1 1 635 168 168 SER CA C 57.9 0.1 1 636 168 168 SER N N 112.5 0.1 1 637 169 169 VAL H H 7.90 0.01 1 638 169 169 VAL C C 174.9 0.1 1 639 169 169 VAL CA C 61.6 0.1 1 640 169 169 VAL N N 120.6 0.1 1 641 170 170 PHE H H 7.75 0.01 1 642 170 170 PHE C C 176.2 0.1 1 643 170 170 PHE CA C 57.5 0.1 1 644 170 170 PHE N N 121.8 0.1 1 645 171 171 VAL H H 8.01 0.01 1 646 171 171 VAL C C 175.9 0.1 1 647 171 171 VAL CA C 58.9 0.1 1 648 171 171 VAL N N 112.8 0.1 1 649 172 172 ARG H H 8.67 0.01 1 650 172 172 ARG C C 177.6 0.1 1 651 172 172 ARG CA C 57.8 0.1 1 652 172 172 ARG N N 119.5 0.1 1 653 173 173 THR H H 7.08 0.01 1 654 173 173 THR C C 174.1 0.1 1 655 173 173 THR CA C 58.7 0.1 1 656 173 173 THR N N 106.2 0.1 1 657 174 174 THR H H 9.16 0.01 1 658 174 174 THR C C 176.7 0.1 1 659 174 174 THR CA C 65.4 0.1 1 660 174 174 THR N N 122.0 0.1 1 661 175 175 ALA H H 8.43 0.01 1 662 175 175 ALA C C 180.7 0.1 1 663 175 175 ALA CA C 54.8 0.1 1 664 175 175 ALA N N 121.3 0.1 1 665 176 176 GLU H H 7.89 0.01 1 666 176 176 GLU C C 179.5 0.1 1 667 176 176 GLU CA C 58.8 0.1 1 668 176 176 GLU N N 120.6 0.1 1 669 177 177 GLY H H 7.74 0.01 1 670 177 177 GLY C C 174.6 0.1 1 671 177 177 GLY CA C 47.0 0.1 1 672 177 177 GLY N N 111.0 0.1 1 673 178 178 VAL H H 8.22 0.01 1 674 178 178 VAL C C 178.2 0.1 1 675 178 178 VAL CA C 65.5 0.1 1 676 178 178 VAL N N 121.5 0.1 1 677 179 179 ALA H H 7.98 0.01 1 678 179 179 ALA C C 179.8 0.1 1 679 179 179 ALA CA C 54.5 0.1 1 680 179 179 ALA N N 121.5 0.1 1 681 180 180 ARG H H 7.70 0.01 1 682 180 180 ARG C C 180.1 0.1 1 683 180 180 ARG CA C 59.4 0.1 1 684 180 180 ARG N N 120.1 0.1 1 685 181 181 VAL H H 8.14 0.01 1 686 181 181 VAL C C 179.5 0.1 1 687 181 181 VAL CA C 66.2 0.1 1 688 181 181 VAL N N 123.2 0.1 1 689 182 182 ARG H H 8.17 0.01 1 690 182 182 ARG C C 179.6 0.1 1 691 182 182 ARG CA C 60.3 0.1 1 692 182 182 ARG N N 118.2 0.1 1 693 183 183 LYS H H 8.47 0.01 1 694 183 183 LYS C C 178.1 0.1 1 695 183 183 LYS CA C 57.2 0.1 1 696 183 183 LYS N N 118.8 0.1 1 697 184 184 SER H H 7.42 0.01 1 698 184 184 SER C C 176.2 0.1 1 699 184 184 SER CA C 59.5 0.1 1 700 184 184 SER N N 112.8 0.1 1 701 185 185 LYS H H 8.51 0.01 1 702 185 185 LYS C C 175.5 0.1 1 703 185 185 LYS CA C 57.3 0.1 1 704 185 185 LYS N N 119.8 0.1 1 705 186 186 GLY H H 8.21 0.01 1 706 186 186 GLY C C 175.1 0.1 1 707 186 186 GLY CA C 45.2 0.1 1 708 186 186 GLY N N 105.2 0.1 1 709 187 187 LYS H H 7.35 0.01 1 710 187 187 LYS C C 175.1 0.1 1 711 187 187 LYS CA C 55.2 0.1 1 712 187 187 LYS N N 116.4 0.1 1 713 188 188 TYR H H 7.58 0.01 1 714 188 188 TYR C C 173.3 0.1 1 715 188 188 TYR CA C 57.2 0.1 1 716 188 188 TYR N N 122.5 0.1 1 717 189 189 ALA H H 8.75 0.01 1 718 189 189 ALA C C 172.5 0.1 1 719 189 189 ALA CA C 49.9 0.1 1 720 189 189 ALA N N 134.3 0.1 1 721 190 190 TYR H H 8.23 0.01 1 722 190 190 TYR C C 173.3 0.1 1 723 190 190 TYR CA C 54.2 0.1 1 724 190 190 TYR N N 120.5 0.1 1 725 191 191 LEU H H 8.06 0.01 1 726 191 191 LEU C C 174.0 0.1 1 727 191 191 LEU CA C 52.8 0.1 1 728 191 191 LEU N N 130.3 0.1 1 729 192 192 LEU H H 8.48 0.01 1 730 192 192 LEU C C 177.5 0.1 1 731 192 192 LEU CA C 53.7 0.1 1 732 192 192 LEU N N 119.8 0.1 1 733 193 193 GLU H H 8.38 0.01 1 734 193 193 GLU C C 179.3 0.1 1 735 193 193 GLU CA C 58.3 0.1 1 736 193 193 GLU N N 125.1 0.1 1 737 194 194 SER H H 9.63 0.01 1 738 194 194 SER C C 175.0 0.1 1 739 194 194 SER CA C 62.0 0.1 1 740 194 194 SER N N 121.2 0.1 1 741 195 195 THR H H 7.50 0.01 1 742 195 195 THR C C 178.2 0.1 1 743 195 195 THR CA C 62.4 0.1 1 744 195 195 THR N N 112.4 0.1 1 745 196 196 MET H H 7.25 0.01 1 746 196 196 MET C C 177.9 0.1 1 747 196 196 MET CA C 61.0 0.1 1 748 196 196 MET N N 123.5 0.1 1 749 197 197 ASN H H 7.85 0.01 1 750 197 197 ASN C C 176.7 0.1 1 751 197 197 ASN CA C 55.9 0.1 1 752 197 197 ASN N N 119.4 0.1 1 753 198 198 GLU H H 8.98 0.01 1 754 198 198 GLU C C 178.7 0.1 1 755 198 198 GLU CA C 58.5 0.1 1 756 198 198 GLU N N 116.0 0.1 1 757 199 199 TYR H H 7.22 0.01 1 758 199 199 TYR C C 176.9 0.1 1 759 199 199 TYR CA C 61.0 0.1 1 760 199 199 TYR N N 118.3 0.1 1 761 200 200 ILE H H 7.82 0.01 1 762 200 200 ILE C C 179.0 0.1 1 763 200 200 ILE CA C 62.5 0.1 1 764 200 200 ILE N N 120.3 0.1 1 765 201 201 GLU H H 8.17 0.01 1 766 201 201 GLU C C 176.2 0.1 1 767 201 201 GLU CA C 58.0 0.1 1 768 201 201 GLU N N 119.0 0.1 1 769 202 202 GLN H H 6.94 0.01 1 770 202 202 GLN C C 174.8 0.1 1 771 202 202 GLN CA C 54.1 0.1 1 772 202 202 GLN N N 112.8 0.1 1 773 203 203 ARG H H 7.46 0.01 1 774 203 203 ARG C C 176.6 0.1 1 775 203 203 ARG CA C 52.8 0.1 1 776 203 203 ARG N N 120.4 0.1 1 777 204 204 LYS H H 9.12 0.01 1 778 204 204 LYS CA C 55.9 0.1 1 779 204 204 LYS N N 123.8 0.1 1 780 205 205 PRO C C 175.8 0.1 1 781 205 205 PRO CA C 63.0 0.1 1 782 206 206 CYS H H 9.30 0.01 1 783 206 206 CYS C C 175.8 0.1 1 784 206 206 CYS CA C 55.8 0.1 1 785 206 206 CYS N N 121.9 0.1 1 786 207 207 ASP H H 8.62 0.01 1 787 207 207 ASP C C 176.2 0.1 1 788 207 207 ASP CA C 52.9 0.1 1 789 207 207 ASP N N 117.4 0.1 1 790 208 208 THR H H 7.74 0.01 1 791 208 208 THR C C 173.3 0.1 1 792 208 208 THR CA C 59.6 0.1 1 793 208 208 THR N N 111.7 0.1 1 794 209 209 MET H H 8.87 0.01 1 795 209 209 MET C C 173.1 0.1 1 796 209 209 MET CA C 54.5 0.1 1 797 209 209 MET N N 116.7 0.1 1 798 210 210 LYS H H 8.21 0.01 1 799 210 210 LYS C C 176.7 0.1 1 800 210 210 LYS CA C 54.4 0.1 1 801 210 210 LYS N N 125.0 0.1 1 802 211 211 VAL H H 7.87 0.01 1 803 211 211 VAL C C 175.7 0.1 1 804 211 211 VAL CA C 59.6 0.1 1 805 211 211 VAL N N 122.9 0.1 1 806 212 212 GLY H H 8.54 0.01 1 807 212 212 GLY C C 174.0 0.1 1 808 212 212 GLY CA C 44.7 0.1 1 809 212 212 GLY N N 113.5 0.1 1 810 213 213 GLY H H 8.03 0.01 1 811 213 213 GLY C C 174.4 0.1 1 812 213 213 GLY CA C 43.5 0.1 1 813 213 213 GLY N N 107.4 0.1 1 814 214 214 ASN H H 8.53 0.01 1 815 214 214 ASN C C 177.7 0.1 1 816 214 214 ASN CA C 51.8 0.1 1 817 214 214 ASN N N 120.8 0.1 1 818 215 215 LEU H H 9.28 0.01 1 819 215 215 LEU C C 175.0 0.1 1 820 215 215 LEU CA C 56.0 0.1 1 821 215 215 LEU N N 121.9 0.1 1 822 216 216 ASP H H 7.32 0.01 1 823 216 216 ASP C C 174.1 0.1 1 824 216 216 ASP CA C 51.7 0.1 1 825 216 216 ASP N N 117.1 0.1 1 826 217 217 SER H H 7.60 0.01 1 827 217 217 SER C C 173.0 0.1 1 828 217 217 SER CA C 57.0 0.1 1 829 217 217 SER N N 111.1 0.1 1 830 218 218 LYS H H 8.92 0.01 1 831 218 218 LYS C C 173.2 0.1 1 832 218 218 LYS CA C 54.8 0.1 1 833 218 218 LYS N N 125.6 0.1 1 834 219 219 GLY H H 7.82 0.01 1 835 219 219 GLY C C 172.1 0.1 1 836 219 219 GLY CA C 44.3 0.1 1 837 219 219 GLY N N 106.3 0.1 1 838 220 220 TYR H H 7.11 0.01 1 839 220 220 TYR C C 175.7 0.1 1 840 220 220 TYR CA C 52.3 0.1 1 841 220 220 TYR N N 117.9 0.1 1 842 221 221 GLY H H 8.16 0.01 1 843 221 221 GLY C C 172.7 0.1 1 844 221 221 GLY CA C 43.6 0.1 1 845 221 221 GLY N N 105.1 0.1 1 846 222 222 ILE H H 8.72 0.01 1 847 222 222 ILE C C 175.9 0.1 1 848 222 222 ILE CA C 60.6 0.1 1 849 222 222 ILE N N 121.2 0.1 1 850 223 223 ALA H H 7.87 0.01 1 851 223 223 ALA C C 175.2 0.1 1 852 223 223 ALA CA C 49.6 0.1 1 853 223 223 ALA N N 130.2 0.1 1 854 224 224 THR H H 8.63 0.01 1 855 224 224 THR CA C 57.6 0.1 1 856 224 224 THR N N 112.1 0.1 1 857 225 225 PRO C C 176.9 0.1 1 858 225 225 PRO CA C 62.0 0.1 1 859 226 226 LYS H H 8.54 0.01 1 860 226 226 LYS C C 178.9 0.1 1 861 226 226 LYS CA C 56.7 0.1 1 862 226 226 LYS N N 122.7 0.1 1 863 227 227 GLY H H 9.10 0.01 1 864 227 227 GLY C C 174.7 0.1 1 865 227 227 GLY CA C 44.8 0.1 1 866 227 227 GLY N N 114.3 0.1 1 867 228 228 SER H H 7.65 0.01 1 868 228 228 SER C C 178.1 0.1 1 869 228 228 SER CA C 57.5 0.1 1 870 228 228 SER N N 114.8 0.1 1 871 229 229 SER H H 9.29 0.01 1 872 229 229 SER C C 175.7 0.1 1 873 229 229 SER CA C 60.2 0.1 1 874 229 229 SER N N 126.8 0.1 1 875 230 230 LEU H H 8.24 0.01 1 876 230 230 LEU C C 178.0 0.1 1 877 230 230 LEU CA C 55.7 0.1 1 878 230 230 LEU N N 123.0 0.1 1 879 231 231 GLY H H 7.27 0.01 1 880 231 231 GLY C C 176.2 0.1 1 881 231 231 GLY CA C 47.9 0.1 1 882 231 231 GLY N N 104.1 0.1 1 883 232 232 ASN H H 8.31 0.01 1 884 232 232 ASN C C 177.1 0.1 1 885 232 232 ASN CA C 56.5 0.1 1 886 232 232 ASN N N 121.4 0.1 1 887 233 233 ALA H H 7.87 0.01 1 888 233 233 ALA C C 180.8 0.1 1 889 233 233 ALA CA C 54.8 0.1 1 890 233 233 ALA N N 122.5 0.1 1 891 234 234 VAL H H 8.35 0.01 1 892 234 234 VAL C C 177.3 0.1 1 893 234 234 VAL CA C 65.6 0.1 1 894 234 234 VAL N N 117.4 0.1 1 895 235 235 ASN H H 7.88 0.01 1 896 235 235 ASN C C 177.6 0.1 1 897 235 235 ASN CA C 56.8 0.1 1 898 235 235 ASN N N 120.1 0.1 1 899 236 236 LEU H H 7.75 0.01 1 900 236 236 LEU C C 179.5 0.1 1 901 236 236 LEU CA C 57.5 0.1 1 902 236 236 LEU N N 118.4 0.1 1 903 237 237 ALA H H 7.78 0.01 1 904 237 237 ALA C C 178.8 0.1 1 905 237 237 ALA CA C 54.7 0.1 1 906 237 237 ALA N N 121.6 0.1 1 907 238 238 VAL H H 8.19 0.01 1 908 238 238 VAL C C 177.7 0.1 1 909 238 238 VAL CA C 67.6 0.1 1 910 238 238 VAL N N 119.1 0.1 1 911 239 239 LEU H H 7.84 0.01 1 912 239 239 LEU C C 180.2 0.1 1 913 239 239 LEU CA C 58.0 0.1 1 914 239 239 LEU N N 119.6 0.1 1 915 240 240 LYS H H 7.90 0.01 1 916 240 240 LYS C C 178.9 0.1 1 917 240 240 LYS CA C 58.2 0.1 1 918 240 240 LYS N N 121.2 0.1 1 919 241 241 LEU H H 8.46 0.01 1 920 241 241 LEU C C 180.2 0.1 1 921 241 241 LEU CA C 57.5 0.1 1 922 241 241 LEU N N 119.8 0.1 1 923 242 242 ASN H H 8.40 0.01 1 924 242 242 ASN C C 179.4 0.1 1 925 242 242 ASN CA C 55.9 0.1 1 926 242 242 ASN N N 118.3 0.1 1 927 243 243 GLU H H 8.32 0.01 1 928 243 243 GLU C C 178.4 0.1 1 929 243 243 GLU CA C 59.0 0.1 1 930 243 243 GLU N N 122.8 0.1 1 931 244 244 GLN H H 8.00 0.01 1 932 244 244 GLN C C 176.7 0.1 1 933 244 244 GLN CA C 55.9 0.1 1 934 244 244 GLN N N 115.2 0.1 1 935 245 245 GLY H H 7.83 0.01 1 936 245 245 GLY C C 176.0 0.1 1 937 245 245 GLY CA C 45.4 0.1 1 938 245 245 GLY N N 108.2 0.1 1 939 246 246 LEU H H 7.80 0.01 1 940 246 246 LEU C C 179.1 0.1 1 941 246 246 LEU CA C 57.0 0.1 1 942 246 246 LEU N N 121.6 0.1 1 943 247 247 LEU H H 7.26 0.01 1 944 247 247 LEU C C 180.6 0.1 1 945 247 247 LEU CA C 58.0 0.1 1 946 247 247 LEU N N 117.1 0.1 1 947 248 248 ASP H H 7.77 0.01 1 948 248 248 ASP C C 178.4 0.1 1 949 248 248 ASP CA C 57.2 0.1 1 950 248 248 ASP N N 121.6 0.1 1 951 249 249 LYS H H 7.56 0.01 1 952 249 249 LYS C C 180.1 0.1 1 953 249 249 LYS CA C 59.5 0.1 1 954 249 249 LYS N N 120.8 0.1 1 955 250 250 LEU H H 8.48 0.01 1 956 250 250 LEU C C 179.6 0.1 1 957 250 250 LEU CA C 57.4 0.1 1 958 250 250 LEU N N 120.6 0.1 1 959 251 251 LYS H H 8.15 0.01 1 960 251 251 LYS C C 178.9 0.1 1 961 251 251 LYS CA C 59.2 0.1 1 962 251 251 LYS N N 122.4 0.1 1 963 252 252 ASN H H 8.21 0.01 1 964 252 252 ASN C C 177.1 0.1 1 965 252 252 ASN CA C 56.9 0.1 1 966 252 252 ASN N N 118.7 0.1 1 967 253 253 LYS H H 8.10 0.01 1 968 253 253 LYS C C 177.9 0.1 1 969 253 253 LYS CA C 58.9 0.1 1 970 253 253 LYS N N 120.1 0.1 1 971 254 254 TRP H H 7.64 0.01 1 972 254 254 TRP C C 175.6 0.1 1 973 254 254 TRP CA C 58.6 0.1 1 974 254 254 TRP N N 115.8 0.1 1 975 255 255 TRP H H 8.92 0.01 1 976 255 255 TRP C C 177.2 0.1 1 977 255 255 TRP CA C 61.1 0.1 1 978 255 255 TRP N N 120.5 0.1 1 979 256 256 TYR H H 7.17 0.01 1 980 256 256 TYR C C 177.6 0.1 1 981 256 256 TYR CA C 58.7 0.1 1 982 256 256 TYR N N 117.6 0.1 1 983 257 257 ASP H H 8.65 0.01 1 984 257 257 ASP C C 176.9 0.1 1 985 257 257 ASP CA C 55.9 0.1 1 986 257 257 ASP N N 123.6 0.1 1 987 258 258 LYS H H 7.99 0.01 1 988 258 258 LYS C C 176.7 0.1 1 989 258 258 LYS CA C 54.8 0.1 1 990 258 258 LYS N N 119.2 0.1 1 991 259 259 GLY H H 7.90 0.01 1 992 259 259 GLY C C 175.5 0.1 1 993 259 259 GLY CA C 46.1 0.1 1 994 259 259 GLY N N 108.8 0.1 1 995 260 260 GLU H H 8.56 0.01 1 996 260 260 GLU C C 177.1 0.1 1 997 260 260 GLU CA C 56.1 0.1 1 998 260 260 GLU N N 120.3 0.1 1 999 261 261 CYS H H 8.33 0.01 1 1000 261 261 CYS C C 175.9 0.1 1 1001 261 261 CYS CA C 53.3 0.1 1 1002 261 261 CYS N N 118.0 0.1 1 1003 262 262 GLY H H 8.32 0.01 1 1004 262 262 GLY C C 173.4 0.1 1 1005 262 262 GLY CA C 45.0 0.1 1 1006 262 262 GLY N N 111.8 0.1 1 1007 263 263 SER H H 7.89 0.01 1 1008 263 263 SER CA C 59.5 0.1 1 1009 263 263 SER N N 122.0 0.1 1 stop_ save_