data_15734 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15734 _Entry.Title ; Solution Structure of cGMP-binding GAF domain of Phosphodiesterase 5 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-04-16 _Entry.Accession_date 2008-04-16 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.112 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Clemens Heikaus . C. . 15734 2 Joseph Stout . R. . 15734 3 Monica Sekharan . R. . 15734 4 Catherine Eakin . M. . 15734 5 Ponni Rajagopal . . . 15734 6 Peter Brzovic . S. . 15734 7 Joseph Beavo . A. . 15734 8 Rachel Klevit . E. . 15734 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 15734 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'cyclic nucleotide phosphodiesterase' . 15734 PDE5 . 15734 'GAF domain' . 15734 cGMP . 15734 NMR . 15734 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15734 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 978 15734 '13C chemical shifts' 636 15734 '15N chemical shifts' 151 15734 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-06-02 2008-04-16 update BMRB 'edit assembly name' 15734 1 . . 2008-08-28 2008-04-16 original author 'original release' 15734 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15734 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18534985 _Citation.Full_citation . _Citation.Title 'Solution Structure of the cGMP Binding GAF Domain from Phosphodiesterase 5: INSIGHTS INTO NUCLEOTIDE SPECIFICITY, DIMERIZATION, AND cGMP-DEPENDENT CONFORMATIONAL CHANGE' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 283 _Citation.Journal_issue 33 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 22749 _Citation.Page_last 22759 _Citation.Year 2008 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Clemens Heikaus . C. . 15734 1 2 Joseph Stout . R. . 15734 1 3 Monica Sekharan . R. . 15734 1 4 Catherine Eakin . M. . 15734 1 5 Ponni Rajagopal . . . 15734 1 6 Peter Brzovic . S. . 15734 1 7 Joseph Beavo . A. . 15734 1 8 Rachel Klevit . E. . 15734 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'cyclic nucleotide phosphodiesterase' 15734 1 PDE5 15734 1 'GAF domain' 15734 1 cGMP 15734 1 NMR 15734 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15734 _Assembly.ID 1 _Assembly.Name 'Phosphodiesterase 5' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $mPDE5_GAFA A . yes native no no . . . 15734 1 2 GUANOSINE-3',5'-MONOPHOSPHATE 2 $entity_35G B . no native no no . . . 15734 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_mPDE5_GAFA _Entity.Sf_category entity _Entity.Sf_framecode mPDE5_GAFA _Entity.Entry_ID 15734 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name mPDE5_GAFA _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MDVTALCHKIFLHIHGLISA DRYSLFLVCEDSSKDKFLIS RLFDVAEGSTLEEASNNCIR LEWNKGIVGHVAAFGEPLNI KDAYEDPRFNAEVDQITGYK TQSILCMPIKNHREEVVGVA QAINKKSGNGGTFTEKDEKD FAEYLAFCGEVLHNAQLYET SLLENKRNLEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 176 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation ; A295E I302E ; _Entity.EC_number 'EC 3.1.4.35' _Entity.Calc_isoelectric_point . _Entity.Formula_weight 20037.4 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2K31 . "Solution Structure Of Cgmp-Binding Gaf Domain Of Phosphodiesterase 5" . . . . . 100.00 176 100.00 100.00 2.73e-126 . . . . 15734 1 2 no DBJ BAA84660 . "cGMP-binding cGMP specific phosphodiesterase [Rattus norvegicus]" . . . . . 65.34 235 98.26 100.00 1.04e-76 . . . . 15734 1 3 no DBJ BAC27332 . "unnamed protein product [Mus musculus]" . . . . . 78.98 287 99.28 100.00 6.14e-95 . . . . 15734 1 4 no GB EGW02508 . "cGMP-specific 3',5'-cyclic phosphodiesterase [Cricetulus griseus]" . . . . . 95.45 597 97.02 98.81 1.18e-112 . . . . 15734 1 5 no TPG DAA28931 . "TPA: cGMP-specific 3',5'-cyclic phosphodiesterase [Bos taurus]" . . . . . 50.00 240 97.73 98.86 8.33e-54 . . . . 15734 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 153 MET . 15734 1 2 154 ASP . 15734 1 3 155 VAL . 15734 1 4 156 THR . 15734 1 5 157 ALA . 15734 1 6 158 LEU . 15734 1 7 159 CYS . 15734 1 8 160 HIS . 15734 1 9 161 LYS . 15734 1 10 162 ILE . 15734 1 11 163 PHE . 15734 1 12 164 LEU . 15734 1 13 165 HIS . 15734 1 14 166 ILE . 15734 1 15 167 HIS . 15734 1 16 168 GLY . 15734 1 17 169 LEU . 15734 1 18 170 ILE . 15734 1 19 171 SER . 15734 1 20 172 ALA . 15734 1 21 173 ASP . 15734 1 22 174 ARG . 15734 1 23 175 TYR . 15734 1 24 176 SER . 15734 1 25 177 LEU . 15734 1 26 178 PHE . 15734 1 27 179 LEU . 15734 1 28 180 VAL . 15734 1 29 181 CYS . 15734 1 30 182 GLU . 15734 1 31 183 ASP . 15734 1 32 184 SER . 15734 1 33 185 SER . 15734 1 34 186 LYS . 15734 1 35 187 ASP . 15734 1 36 188 LYS . 15734 1 37 189 PHE . 15734 1 38 190 LEU . 15734 1 39 191 ILE . 15734 1 40 192 SER . 15734 1 41 193 ARG . 15734 1 42 194 LEU . 15734 1 43 195 PHE . 15734 1 44 196 ASP . 15734 1 45 197 VAL . 15734 1 46 198 ALA . 15734 1 47 199 GLU . 15734 1 48 200 GLY . 15734 1 49 201 SER . 15734 1 50 202 THR . 15734 1 51 203 LEU . 15734 1 52 204 GLU . 15734 1 53 205 GLU . 15734 1 54 206 ALA . 15734 1 55 207 SER . 15734 1 56 208 ASN . 15734 1 57 209 ASN . 15734 1 58 210 CYS . 15734 1 59 211 ILE . 15734 1 60 212 ARG . 15734 1 61 213 LEU . 15734 1 62 214 GLU . 15734 1 63 215 TRP . 15734 1 64 216 ASN . 15734 1 65 217 LYS . 15734 1 66 218 GLY . 15734 1 67 219 ILE . 15734 1 68 220 VAL . 15734 1 69 221 GLY . 15734 1 70 222 HIS . 15734 1 71 223 VAL . 15734 1 72 224 ALA . 15734 1 73 225 ALA . 15734 1 74 226 PHE . 15734 1 75 227 GLY . 15734 1 76 228 GLU . 15734 1 77 229 PRO . 15734 1 78 230 LEU . 15734 1 79 231 ASN . 15734 1 80 232 ILE . 15734 1 81 233 LYS . 15734 1 82 234 ASP . 15734 1 83 235 ALA . 15734 1 84 236 TYR . 15734 1 85 237 GLU . 15734 1 86 238 ASP . 15734 1 87 239 PRO . 15734 1 88 240 ARG . 15734 1 89 241 PHE . 15734 1 90 242 ASN . 15734 1 91 243 ALA . 15734 1 92 244 GLU . 15734 1 93 245 VAL . 15734 1 94 246 ASP . 15734 1 95 247 GLN . 15734 1 96 248 ILE . 15734 1 97 249 THR . 15734 1 98 250 GLY . 15734 1 99 251 TYR . 15734 1 100 252 LYS . 15734 1 101 253 THR . 15734 1 102 254 GLN . 15734 1 103 255 SER . 15734 1 104 256 ILE . 15734 1 105 257 LEU . 15734 1 106 258 CYS . 15734 1 107 259 MET . 15734 1 108 260 PRO . 15734 1 109 261 ILE . 15734 1 110 262 LYS . 15734 1 111 263 ASN . 15734 1 112 264 HIS . 15734 1 113 265 ARG . 15734 1 114 266 GLU . 15734 1 115 267 GLU . 15734 1 116 268 VAL . 15734 1 117 269 VAL . 15734 1 118 270 GLY . 15734 1 119 271 VAL . 15734 1 120 272 ALA . 15734 1 121 273 GLN . 15734 1 122 274 ALA . 15734 1 123 275 ILE . 15734 1 124 276 ASN . 15734 1 125 277 LYS . 15734 1 126 278 LYS . 15734 1 127 279 SER . 15734 1 128 280 GLY . 15734 1 129 281 ASN . 15734 1 130 282 GLY . 15734 1 131 283 GLY . 15734 1 132 284 THR . 15734 1 133 285 PHE . 15734 1 134 286 THR . 15734 1 135 287 GLU . 15734 1 136 288 LYS . 15734 1 137 289 ASP . 15734 1 138 290 GLU . 15734 1 139 291 LYS . 15734 1 140 292 ASP . 15734 1 141 293 PHE . 15734 1 142 294 ALA . 15734 1 143 295 GLU . 15734 1 144 296 TYR . 15734 1 145 297 LEU . 15734 1 146 298 ALA . 15734 1 147 299 PHE . 15734 1 148 300 CYS . 15734 1 149 301 GLY . 15734 1 150 302 GLU . 15734 1 151 303 VAL . 15734 1 152 304 LEU . 15734 1 153 305 HIS . 15734 1 154 306 ASN . 15734 1 155 307 ALA . 15734 1 156 308 GLN . 15734 1 157 309 LEU . 15734 1 158 310 TYR . 15734 1 159 311 GLU . 15734 1 160 312 THR . 15734 1 161 313 SER . 15734 1 162 314 LEU . 15734 1 163 315 LEU . 15734 1 164 316 GLU . 15734 1 165 317 ASN . 15734 1 166 318 LYS . 15734 1 167 319 ARG . 15734 1 168 320 ASN . 15734 1 169 321 LEU . 15734 1 170 322 GLU . 15734 1 171 323 HIS . 15734 1 172 324 HIS . 15734 1 173 325 HIS . 15734 1 174 326 HIS . 15734 1 175 327 HIS . 15734 1 176 328 HIS . 15734 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 15734 1 . ASP 2 2 15734 1 . VAL 3 3 15734 1 . THR 4 4 15734 1 . ALA 5 5 15734 1 . LEU 6 6 15734 1 . CYS 7 7 15734 1 . HIS 8 8 15734 1 . LYS 9 9 15734 1 . ILE 10 10 15734 1 . PHE 11 11 15734 1 . LEU 12 12 15734 1 . HIS 13 13 15734 1 . ILE 14 14 15734 1 . HIS 15 15 15734 1 . GLY 16 16 15734 1 . LEU 17 17 15734 1 . ILE 18 18 15734 1 . SER 19 19 15734 1 . ALA 20 20 15734 1 . ASP 21 21 15734 1 . ARG 22 22 15734 1 . TYR 23 23 15734 1 . SER 24 24 15734 1 . LEU 25 25 15734 1 . PHE 26 26 15734 1 . LEU 27 27 15734 1 . VAL 28 28 15734 1 . CYS 29 29 15734 1 . GLU 30 30 15734 1 . ASP 31 31 15734 1 . SER 32 32 15734 1 . SER 33 33 15734 1 . LYS 34 34 15734 1 . ASP 35 35 15734 1 . LYS 36 36 15734 1 . PHE 37 37 15734 1 . LEU 38 38 15734 1 . ILE 39 39 15734 1 . SER 40 40 15734 1 . ARG 41 41 15734 1 . LEU 42 42 15734 1 . PHE 43 43 15734 1 . ASP 44 44 15734 1 . VAL 45 45 15734 1 . ALA 46 46 15734 1 . GLU 47 47 15734 1 . GLY 48 48 15734 1 . SER 49 49 15734 1 . THR 50 50 15734 1 . LEU 51 51 15734 1 . GLU 52 52 15734 1 . GLU 53 53 15734 1 . ALA 54 54 15734 1 . SER 55 55 15734 1 . ASN 56 56 15734 1 . ASN 57 57 15734 1 . CYS 58 58 15734 1 . ILE 59 59 15734 1 . ARG 60 60 15734 1 . LEU 61 61 15734 1 . GLU 62 62 15734 1 . TRP 63 63 15734 1 . ASN 64 64 15734 1 . LYS 65 65 15734 1 . GLY 66 66 15734 1 . ILE 67 67 15734 1 . VAL 68 68 15734 1 . GLY 69 69 15734 1 . HIS 70 70 15734 1 . VAL 71 71 15734 1 . ALA 72 72 15734 1 . ALA 73 73 15734 1 . PHE 74 74 15734 1 . GLY 75 75 15734 1 . GLU 76 76 15734 1 . PRO 77 77 15734 1 . LEU 78 78 15734 1 . ASN 79 79 15734 1 . ILE 80 80 15734 1 . LYS 81 81 15734 1 . ASP 82 82 15734 1 . ALA 83 83 15734 1 . TYR 84 84 15734 1 . GLU 85 85 15734 1 . ASP 86 86 15734 1 . PRO 87 87 15734 1 . ARG 88 88 15734 1 . PHE 89 89 15734 1 . ASN 90 90 15734 1 . ALA 91 91 15734 1 . GLU 92 92 15734 1 . VAL 93 93 15734 1 . ASP 94 94 15734 1 . GLN 95 95 15734 1 . ILE 96 96 15734 1 . THR 97 97 15734 1 . GLY 98 98 15734 1 . TYR 99 99 15734 1 . LYS 100 100 15734 1 . THR 101 101 15734 1 . GLN 102 102 15734 1 . SER 103 103 15734 1 . ILE 104 104 15734 1 . LEU 105 105 15734 1 . CYS 106 106 15734 1 . MET 107 107 15734 1 . PRO 108 108 15734 1 . ILE 109 109 15734 1 . LYS 110 110 15734 1 . ASN 111 111 15734 1 . HIS 112 112 15734 1 . ARG 113 113 15734 1 . GLU 114 114 15734 1 . GLU 115 115 15734 1 . VAL 116 116 15734 1 . VAL 117 117 15734 1 . GLY 118 118 15734 1 . VAL 119 119 15734 1 . ALA 120 120 15734 1 . GLN 121 121 15734 1 . ALA 122 122 15734 1 . ILE 123 123 15734 1 . ASN 124 124 15734 1 . LYS 125 125 15734 1 . LYS 126 126 15734 1 . SER 127 127 15734 1 . GLY 128 128 15734 1 . ASN 129 129 15734 1 . GLY 130 130 15734 1 . GLY 131 131 15734 1 . THR 132 132 15734 1 . PHE 133 133 15734 1 . THR 134 134 15734 1 . GLU 135 135 15734 1 . LYS 136 136 15734 1 . ASP 137 137 15734 1 . GLU 138 138 15734 1 . LYS 139 139 15734 1 . ASP 140 140 15734 1 . PHE 141 141 15734 1 . ALA 142 142 15734 1 . GLU 143 143 15734 1 . TYR 144 144 15734 1 . LEU 145 145 15734 1 . ALA 146 146 15734 1 . PHE 147 147 15734 1 . CYS 148 148 15734 1 . GLY 149 149 15734 1 . GLU 150 150 15734 1 . VAL 151 151 15734 1 . LEU 152 152 15734 1 . HIS 153 153 15734 1 . ASN 154 154 15734 1 . ALA 155 155 15734 1 . GLN 156 156 15734 1 . LEU 157 157 15734 1 . TYR 158 158 15734 1 . GLU 159 159 15734 1 . THR 160 160 15734 1 . SER 161 161 15734 1 . LEU 162 162 15734 1 . LEU 163 163 15734 1 . GLU 164 164 15734 1 . ASN 165 165 15734 1 . LYS 166 166 15734 1 . ARG 167 167 15734 1 . ASN 168 168 15734 1 . LEU 169 169 15734 1 . GLU 170 170 15734 1 . HIS 171 171 15734 1 . HIS 172 172 15734 1 . HIS 173 173 15734 1 . HIS 174 174 15734 1 . HIS 175 175 15734 1 . HIS 176 176 15734 1 stop_ save_ save_entity_35G _Entity.Sf_category entity _Entity.Sf_framecode entity_35G _Entity.Entry_ID 15734 _Entity.ID 2 _Entity.BMRB_code 35G _Entity.Name GUANOSINE-3',5'-MONOPHOSPHATE _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID 35G _Entity.Nonpolymer_comp_label $chem_comp_35G _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 345.205 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID GUANOSINE-3',5'-MONOPHOSPHATE BMRB 15734 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID GUANOSINE-3',5'-MONOPHOSPHATE BMRB 15734 2 35G 'Three letter code' 15734 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 35G $chem_comp_35G 15734 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 35G C1' 15734 2 2 1 35G C2 15734 2 3 1 35G C2' 15734 2 4 1 35G C3' 15734 2 5 1 35G C4 15734 2 6 1 35G C4' 15734 2 7 1 35G C5 15734 2 8 1 35G C5' 15734 2 9 1 35G C6 15734 2 10 1 35G C8 15734 2 11 1 35G H1' 15734 2 12 1 35G H2' 15734 2 13 1 35G H3' 15734 2 14 1 35G H4' 15734 2 15 1 35G H5'1 15734 2 16 1 35G H5'2 15734 2 17 1 35G H8 15734 2 18 1 35G HN1 15734 2 19 1 35G HN21 15734 2 20 1 35G HN22 15734 2 21 1 35G HO2' 15734 2 22 1 35G HOP2 15734 2 23 1 35G N1 15734 2 24 1 35G N2 15734 2 25 1 35G N3 15734 2 26 1 35G N7 15734 2 27 1 35G N9 15734 2 28 1 35G O1P 15734 2 29 1 35G O2' 15734 2 30 1 35G O2P 15734 2 31 1 35G O3' 15734 2 32 1 35G O4' 15734 2 33 1 35G O5' 15734 2 34 1 35G O6 15734 2 35 1 35G P 15734 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 15734 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $mPDE5_GAFA . 10090 organism . 'Mus musculus' 'Mus musculus' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 15734 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 15734 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $mPDE5_GAFA . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)star . . . . . . . . . . . . . . . pRunH . . . . . . 15734 1 2 2 $entity_35G . 'obtained from a vendor' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15734 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_35G _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_35G _Chem_comp.Entry_ID 15734 _Chem_comp.ID 35G _Chem_comp.Provenance PDB _Chem_comp.Name GUANOSINE-3',5'-MONOPHOSPHATE _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code 35G _Chem_comp.PDB_code 35G _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code 35G _Chem_comp.Number_atoms_all 35 _Chem_comp.Number_atoms_nh 23 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C10 H12 N5 O7 P' _Chem_comp.Formula_weight 345.205 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1BHN _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID c1nc2c(n1C3C(C4C(O3)COP(=O)(O4)O)O)N=C(NC2=O)N SMILES 'OpenEye OEToolkits' 1.7.0 15734 35G c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O4)O)O)N=C(NC2=O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.0 15734 35G InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1 InChI InChI 1.03 15734 35G NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@@H]4CO[P](O)(=O)O[C@H]4[C@H]3O SMILES_CANONICAL CACTVS 3.370 15734 35G NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH]4CO[P](O)(=O)O[CH]4[CH]3O SMILES CACTVS 3.370 15734 35G O=C4NC(=Nc1c4ncn1C3OC2COP(=O)(OC2C3O)O)N SMILES ACDLabs 12.01 15734 35G ZOOGRGPOEVQQDX-UUOKFMHZSA-N InChIKey InChI 1.03 15734 35G stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID 2-amino-9-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-1,9-dihydro-6H-purin-6-one 'SYSTEMATIC NAME' ACDLabs 12.01 15734 35G stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1' C1' C1' C1' . C . . R 0 . . . 1 no no . . . . 28.676 . 21.780 . 80.667 . 0.190 -0.055 -0.840 12 . 15734 35G C2 C2 C2 C2 . C . . N 0 . . . 1 no no . . . . 27.572 . 19.418 . 83.995 . 4.385 -1.462 -0.149 20 . 15734 35G C2' C2' C2' C2' . C . . R 0 . . . 1 no no . . . . 28.735 . 21.082 . 79.305 . -0.535 -0.733 0.350 10 . 15734 35G C3' C3' C3' C3' . C . . S 0 . . . 1 no no . . . . 29.317 . 22.182 . 78.419 . -1.892 -0.019 0.389 8 . 15734 35G C4 C4 C4 C4 . C . . N 0 . . . 1 yes no . . . . 27.144 . 21.000 . 82.467 . 2.633 0.043 -0.200 23 . 15734 35G C4' C4' C4' C4' . C . . R 0 . . . 1 no no . . . . 30.195 . 22.983 . 79.370 . -2.031 0.432 -1.090 6 . 15734 35G C5 C5 C5 C5 . C . . N 0 . . . 1 yes no . . . . 25.867 . 21.301 . 82.967 . 3.476 1.060 0.263 16 . 15734 35G C5' C5' C5' C5' . C . . N 0 . . . 1 no no . . . . 30.588 . 24.320 . 78.763 . -3.169 1.428 -1.199 5 . 15734 35G C6 C6 C6 C6 . C . . N 0 . . . 1 no no . . . . 25.407 . 20.626 . 84.157 . 4.832 0.750 0.523 17 . 15734 35G C8 C8 C8 C8 . C . . N 0 . . . 1 yes no . . . . 26.226 . 22.619 . 81.315 . 1.510 1.930 -0.008 14 . 15734 35G H1' H1' H1' H1' . H . . N 0 . . . 1 no no . . . . 29.214 . 21.122 . 81.366 . 0.445 -0.801 -1.593 31 . 15734 35G H2' H2' H2' H2' . H . . N 0 . . . 1 no no . . . . 27.766 . 20.697 . 78.955 . 0.011 -0.572 1.279 29 . 15734 35G H3' H3' H3' H3' . H . . N 0 . . . 1 no no . . . . 28.526 . 22.766 . 77.925 . -1.883 0.835 1.067 28 . 15734 35G H4' H4' H4' H4' . H . . N 0 . . . 1 no no . . . . 31.177 . 22.550 . 79.611 . -2.250 -0.441 -1.704 27 . 15734 35G H5'1 H5'1 H5'1 H5'1 . H . . N 0 . . . 0 no no . . . . 31.603 . 24.604 . 79.080 . -3.207 1.841 -2.207 25 . 15734 35G H5'2 H5'2 H5'2 H5'2 . H . . N 0 . . . 0 no no . . . . 29.891 . 25.109 . 79.083 . -3.034 2.228 -0.472 26 . 15734 35G H8 H8 H8 H8 . H . . N 0 . . . 1 no no . . . . 26.081 . 23.378 . 80.560 . 0.703 2.647 -0.028 32 . 15734 35G HN1 HN1 HN1 HN1 . H . . N 0 . . . 1 no no . . . . 26.049 . 19.056 . 85.328 . 6.178 -0.752 0.478 33 . 15734 35G HN21 HN21 HN21 HN21 . H . . N 0 . . . 0 no no . . . . 29.266 . 18.285 . 84.150 . 5.769 -2.958 -0.182 34 . 15734 35G HN22 HN22 HN22 HN22 . H . . N 0 . . . 0 no no . . . . 28.072 . 17.990 . 85.369 . 4.234 -3.424 -0.683 35 . 15734 35G HO2' HO2' HO2' HO2' . H . . N 0 . . . 0 no no . . . . 29.188 . 19.279 . 79.904 . 0.120 -2.629 0.069 30 . 15734 35G HOP2 HOP2 HOP2 HOP2 . H . . N 0 . . . 0 no no . . . . 31.255 . 22.517 . 74.794 . -5.793 1.071 1.584 24 . 15734 35G N1 N1 N1 N1 . N . . N 0 . . . 1 no no . . . . 26.319 . 19.644 . 84.565 . 5.253 -0.516 0.307 19 . 15734 35G N2 N2 N2 N2 . N . . N 0 . . . 1 no no . . . . 28.373 . 18.483 . 84.553 . 4.840 -2.740 -0.358 21 . 15734 35G N3 N3 N3 N3 . N . . N 0 . . . 1 no no . . . . 28.018 . 20.047 . 82.909 . 3.123 -1.186 -0.395 22 . 15734 35G N7 N7 N7 N7 . N . . N 0 . . . 1 yes no . . . . 25.328 . 22.363 . 82.240 . 2.730 2.187 0.362 15 . 15734 35G N9 N9 N9 N9 . N . . N 0 . . . 1 yes no . . . . 27.372 . 21.843 . 81.380 . 1.402 0.618 -0.367 13 . 15734 35G O1P O1P O1P O1P . O . . N 0 . . . 1 no no . . . . 32.161 . 22.401 . 76.907 . -5.476 -1.319 0.182 2 . 15734 35G O2' O2' O2' O2' . O . . N 0 . . . 1 no no . . . . 29.578 . 19.942 . 79.346 . -0.708 -2.130 0.104 11 . 15734 35G O2P O2P O2P O2P . O . . N 0 . . . 1 no no . . . . 30.478 . 22.783 . 75.272 . -4.928 0.649 1.677 3 . 15734 35G O3' O3' O3' O3' . O . . N 0 . . . 1 no no . . . . 30.127 . 21.653 . 77.415 . -3.009 -0.874 0.653 9 . 15734 35G O4' O4' O4' O4' . O . . N 0 . . . 1 no no . . . . 29.324 . 23.057 . 80.532 . -0.727 0.917 -1.400 7 . 15734 35G O5' O5' O5' O5' . O . . N 0 . . . 1 no no . . . . 30.535 . 24.150 . 77.347 . -4.388 0.700 -0.915 4 . 15734 35G O6 O6 O6 O6 . O . . N 0 . . . 1 no no . . . . 24.356 . 20.747 . 84.820 . 5.601 1.603 0.931 18 . 15734 35G P P P P . P . . N 0 . . . 1 no no . . . . 30.777 . 22.801 . 76.747 . -4.491 -0.237 0.406 1 . 15734 35G stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB P O1P no N 1 . 15734 35G 2 . SING P O2P no N 2 . 15734 35G 3 . SING P O5' no N 3 . 15734 35G 4 . SING P O3' no N 4 . 15734 35G 5 . SING O2P HOP2 no N 5 . 15734 35G 6 . SING O5' C5' no N 6 . 15734 35G 7 . SING C5' C4' no N 7 . 15734 35G 8 . SING C5' H5'1 no N 8 . 15734 35G 9 . SING C5' H5'2 no N 9 . 15734 35G 10 . SING C4' O4' no N 10 . 15734 35G 11 . SING C4' C3' no N 11 . 15734 35G 12 . SING C4' H4' no N 12 . 15734 35G 13 . SING O4' C1' no N 13 . 15734 35G 14 . SING C3' O3' no N 14 . 15734 35G 15 . SING C3' C2' no N 15 . 15734 35G 16 . SING C3' H3' no N 16 . 15734 35G 17 . SING C2' O2' no N 17 . 15734 35G 18 . SING C2' C1' no N 18 . 15734 35G 19 . SING C2' H2' no N 19 . 15734 35G 20 . SING O2' HO2' no N 20 . 15734 35G 21 . SING C1' N9 no N 21 . 15734 35G 22 . SING C1' H1' no N 22 . 15734 35G 23 . SING N9 C8 yes N 23 . 15734 35G 24 . SING N9 C4 yes N 24 . 15734 35G 25 . DOUB C8 N7 yes N 25 . 15734 35G 26 . SING C8 H8 no N 26 . 15734 35G 27 . SING N7 C5 yes N 27 . 15734 35G 28 . SING C5 C6 no N 28 . 15734 35G 29 . DOUB C5 C4 yes N 29 . 15734 35G 30 . DOUB C6 O6 no N 30 . 15734 35G 31 . SING C6 N1 no N 31 . 15734 35G 32 . SING N1 C2 no N 32 . 15734 35G 33 . SING N1 HN1 no N 33 . 15734 35G 34 . SING C2 N2 no N 34 . 15734 35G 35 . DOUB C2 N3 no N 35 . 15734 35G 36 . SING N2 HN21 no N 36 . 15734 35G 37 . SING N2 HN22 no N 37 . 15734 35G 38 . SING N3 C4 no N 38 . 15734 35G stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_unlabeled_5A _Sample.Sf_category sample _Sample.Sf_framecode unlabeled_5A _Sample.Entry_ID 15734 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 GUANOSINE-3',5'-MONOPHOSPHATE 'natural abundance' . . 2 $entity_35G . . . 0.5 1.2 mM . . . . 15734 1 2 mPDE5_GAFA 'natural abundance' . . 1 $mPDE5_GAFA . . . 0.5 1.2 mM . . . . 15734 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 15734 1 4 PMSF 'natural abundance' . . . . . . 1 . . mM . . . . 15734 1 5 DTT 'natural abundance' . . . . . . 1-5 . . mM . . . . 15734 1 6 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 15734 1 7 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 15734 1 8 D2O . . . . . . . 10 . . % . . . . 15734 1 9 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15734 1 stop_ save_ save_15N_5A _Sample.Sf_category sample _Sample.Sf_framecode 15N_5A _Sample.Entry_ID 15734 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 GUANOSINE-3',5'-MONOPHOSPHATE 'natural abundance' . . 2 $entity_35G . . . 0.5 1.2 mM . . . . 15734 2 2 mPDE5_GAFA '[U-100% 15N]' . . 1 $mPDE5_GAFA . . . 0.5 1.2 mM . . . . 15734 2 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 15734 2 4 PMSF 'natural abundance' . . . . . . 1 . . mM . . . . 15734 2 5 DTT 'natural abundance' . . . . . . 1-5 . . mM . . . . 15734 2 6 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 15734 2 7 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 15734 2 8 D2O . . . . . . . 10 . . % . . . . 15734 2 9 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15734 2 stop_ save_ save_2H_13C_15N_5A _Sample.Sf_category sample _Sample.Sf_framecode 2H_13C_15N_5A _Sample.Entry_ID 15734 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 GUANOSINE-3',5'-MONOPHOSPHATE 'natural abundance' . . 2 $entity_35G . . . 0.5 1.2 mM . . . . 15734 3 2 mPDE5_GAFA '[U-100% 13C; U-100% 15N; 80% 2H]' . . 1 $mPDE5_GAFA . . . 0.5 1.2 mM . . . . 15734 3 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 15734 3 4 PMSF 'natural abundance' . . . . . . 1 . . mM . . . . 15734 3 5 DTT 'natural abundance' . . . . . . 1-5 . . mM . . . . 15734 3 6 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 15734 3 7 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 15734 3 8 D2O . . . . . . . 10 . . % . . . . 15734 3 9 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15734 3 stop_ save_ save_13C_15N_5A _Sample.Sf_category sample _Sample.Sf_framecode 13C_15N_5A _Sample.Entry_ID 15734 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 GUANOSINE-3',5'-MONOPHOSPHATE 'natural abundance' . . 2 $entity_35G . . . 0.5 1.2 mM . . . . 15734 4 2 mPDE5_GAFA '[U-100% 13C; U-100% 15N]' . . 1 $mPDE5_GAFA . . . 0.5 1.2 mM . . . . 15734 4 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 15734 4 4 PMSF 'natural abundance' . . . . . . 1 . . mM . . . . 15734 4 5 DTT 'natural abundance' . . . . . . 1-5 . . mM . . . . 15734 4 6 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 15734 4 7 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 15734 4 8 D2O . . . . . . . 10 . . % . . . . 15734 4 9 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15734 4 stop_ save_ save_15N_5A_2 _Sample.Sf_category sample _Sample.Sf_framecode 15N_5A_2 _Sample.Entry_ID 15734 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 GUANOSINE-3',5'-MONOPHOSPHATE 'natural abundance' . . 2 $entity_35G . . . 0.5 1.2 mM . . . . 15734 5 2 mPDE5_GAFA '[U-100% 15N]' . . 1 $mPDE5_GAFA . . . 0.5 1.2 mM . . . . 15734 5 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 15734 5 4 PMSF 'natural abundance' . . . . . . 1 . . mM . . . . 15734 5 5 DTT 'natural abundance' . . . . . . 1-5 . . mM . . . . 15734 5 6 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 15734 5 7 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 15734 5 8 D2O . . . . . . . 100 . . % . . . . 15734 5 stop_ save_ save_13C_15N_5A_2 _Sample.Sf_category sample _Sample.Sf_framecode 13C_15N_5A_2 _Sample.Entry_ID 15734 _Sample.ID 6 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 GUANOSINE-3',5'-MONOPHOSPHATE 'natural abundance' . . 2 $entity_35G . . . 0.5 1.2 mM . . . . 15734 6 2 mPDE5_GAFA '[U-100% 13C; U-100% 15N]' . . 1 $mPDE5_GAFA . . . 0.5 1.2 mM . . . . 15734 6 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 15734 6 4 PMSF 'natural abundance' . . . . . . 1 . . mM . . . . 15734 6 5 DTT 'natural abundance' . . . . . . 1-5 . . mM . . . . 15734 6 6 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 15734 6 7 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 15734 6 8 D2O . . . . . . . 100 . . % . . . . 15734 6 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15734 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID temperature 310 . K 15734 1 pH 7 . pH 15734 1 pressure 1 . atm 15734 1 'ionic strength' 150 . mM 15734 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 15734 _Software.ID 1 _Software.Name CNS _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 15734 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15734 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15734 _Software.ID 2 _Software.Name CYANA _Software.Version 2.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 15734 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15734 2 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 15734 _Software.ID 3 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15734 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15734 3 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15734 _Software.ID 4 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 15734 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15734 4 'peak picking' 15734 4 'data analysis' 15734 4 stop_ save_ save_ModelFree _Software.Sf_category software _Software.Sf_framecode ModelFree _Software.Entry_ID 15734 _Software.ID 5 _Software.Name ModelFree _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Palmer . . 15734 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15734 5 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 15734 _Software.ID 6 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 15734 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15734 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15734 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15734 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15734 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 15734 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_5 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_5 _NMR_spectrometer.Entry_ID 15734 _NMR_spectrometer.ID 5 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15734 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DMX . 500 . . . 15734 1 2 spectrometer_2 Bruker DMX . 600 . . . 15734 1 3 spectrometer_3 Varian INOVA . 600 . . . 15734 1 4 spectrometer_4 Varian INOVA . 800 . . . 15734 1 5 spectrometer_5 Varian INOVA . 900 . . . 15734 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 15734 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $15N_5A isotropic . . 1 $sample_conditions_1 . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 15734 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 4 $13C_15N_5A isotropic . . 1 $sample_conditions_1 . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 15734 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $unlabeled_5A isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15734 1 4 '3D HNCO' no . . . . . . . . . . 3 $2H_13C_15N_5A isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15734 1 5 '3D HNCA' no . . . . . . . . . . 3 $2H_13C_15N_5A isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15734 1 6 '3D HNCACB' no . . . . . . . . . . 3 $2H_13C_15N_5A isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15734 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 3 $2H_13C_15N_5A isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15734 1 8 '3D HCCH-COSY' no . . . . . . . . . . 4 $13C_15N_5A isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15734 1 9 '3D HN(COCA)CB' no . . . . . . . . . . 3 $2H_13C_15N_5A isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15734 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 4 $13C_15N_5A isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15734 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 4 $13C_15N_5A isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 15734 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 6 $13C_15N_5A_2 isotropic . . 1 $sample_conditions_1 . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 15734 1 13 '3D HN(CO)CA' no . . . . . . . . . . 3 $2H_13C_15N_5A isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15734 1 14 '2D 1H-15N HSQC' no . . . . . . . . . . 5 $15N_5A_2 isotropic . . 1 $sample_conditions_1 . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 15734 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15734 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1.0 . . . . . . . . . 15734 1 C 13 DSS 'methyl protons' . . . . ppm 0 external indirect 0.25145 . . . . . . . . . 15734 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.10133 . . . . . . . . . 15734 1 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_assignments_5GAFA_N-AI _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assignments_5GAFA_N-AI _Assigned_chem_shift_list.Entry_ID 15734 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.05 _Assigned_chem_shift_list.Chem_shift_13C_err 0.5 _Assigned_chem_shift_list.Chem_shift_15N_err 0.5 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15734 1 2 '2D 1H-13C HSQC' . . . 15734 1 4 '3D HNCO' . . . 15734 1 5 '3D HNCA' . . . 15734 1 6 '3D HNCACB' . . . 15734 1 7 '3D CBCA(CO)NH' . . . 15734 1 8 '3D HCCH-COSY' . . . 15734 1 9 '3D HN(COCA)CB' . . . 15734 1 10 '3D HCCH-TOCSY' . . . 15734 1 11 '3D 1H-15N NOESY' . . . 15734 1 12 '3D 1H-13C NOESY' . . . 15734 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ASP HA H 1 4.852 0.05 . 1 . . . . 154 ASP HA . 15734 1 2 . 1 1 2 2 ASP HB2 H 1 2.902 0.05 . 2 . . . . 154 ASP HB1 . 15734 1 3 . 1 1 2 2 ASP HB3 H 1 2.802 0.05 . 2 . . . . 154 ASP HB2 . 15734 1 4 . 1 1 2 2 ASP C C 13 176.400 0.5 . 1 . . . . 154 ASP C . 15734 1 5 . 1 1 2 2 ASP CA C 13 53.300 0.5 . 1 . . . . 154 ASP CA . 15734 1 6 . 1 1 2 2 ASP CB C 13 41.800 0.5 . 1 . . . . 154 ASP CB . 15734 1 7 . 1 1 3 3 VAL H H 1 8.510 0.05 . 1 . . . . 155 VAL HN . 15734 1 8 . 1 1 3 3 VAL HA H 1 3.852 0.05 . 1 . . . . 155 VAL HA . 15734 1 9 . 1 1 3 3 VAL HB H 1 2.162 0.05 . 1 . . . . 155 VAL HB . 15734 1 10 . 1 1 3 3 VAL HG11 H 1 0.840 0.05 . 2 . . . . 155 VAL HG11 . 15734 1 11 . 1 1 3 3 VAL HG12 H 1 0.840 0.05 . 2 . . . . 155 VAL HG11 . 15734 1 12 . 1 1 3 3 VAL HG13 H 1 0.840 0.05 . 2 . . . . 155 VAL HG11 . 15734 1 13 . 1 1 3 3 VAL HG21 H 1 0.980 0.05 . 2 . . . . 155 VAL HG21 . 15734 1 14 . 1 1 3 3 VAL HG22 H 1 0.980 0.05 . 2 . . . . 155 VAL HG21 . 15734 1 15 . 1 1 3 3 VAL HG23 H 1 0.980 0.05 . 2 . . . . 155 VAL HG21 . 15734 1 16 . 1 1 3 3 VAL CA C 13 65.200 0.5 . 1 . . . . 155 VAL CA . 15734 1 17 . 1 1 3 3 VAL CB C 13 31.500 0.5 . 1 . . . . 155 VAL CB . 15734 1 18 . 1 1 3 3 VAL CG1 C 13 22.100 0.5 . 1 . . . . 155 VAL CG1 . 15734 1 19 . 1 1 3 3 VAL CG2 C 13 22.200 0.5 . 1 . . . . 155 VAL CG2 . 15734 1 20 . 1 1 3 3 VAL N N 15 121.700 0.5 . 1 . . . . 155 VAL N . 15734 1 21 . 1 1 4 4 THR H H 1 8.140 0.05 . 1 . . . . 156 THR HN . 15734 1 22 . 1 1 4 4 THR CA C 13 59.000 0.5 . 1 . . . . 156 THR CA . 15734 1 23 . 1 1 4 4 THR CB C 13 63.600 0.5 . 1 . . . . 156 THR CB . 15734 1 24 . 1 1 4 4 THR CG2 C 13 22.700 0.5 . 1 . . . . 156 THR CG2 . 15734 1 25 . 1 1 4 4 THR N N 15 117.200 0.5 . 1 . . . . 156 THR N . 15734 1 26 . 1 1 5 5 ALA H H 1 7.970 0.05 . 1 . . . . 157 ALA HN . 15734 1 27 . 1 1 5 5 ALA HA H 1 4.172 0.05 . 1 . . . . 157 ALA HA . 15734 1 28 . 1 1 5 5 ALA HB1 H 1 1.542 0.05 . 1 . . . . 157 ALA HB1 . 15734 1 29 . 1 1 5 5 ALA HB2 H 1 1.542 0.05 . 1 . . . . 157 ALA HB1 . 15734 1 30 . 1 1 5 5 ALA HB3 H 1 1.542 0.05 . 1 . . . . 157 ALA HB1 . 15734 1 31 . 1 1 5 5 ALA CA C 13 55.100 0.5 . 1 . . . . 157 ALA CA . 15734 1 32 . 1 1 5 5 ALA CB C 13 18.700 0.5 . 1 . . . . 157 ALA CB . 15734 1 33 . 1 1 5 5 ALA N N 15 123.200 0.5 . 1 . . . . 157 ALA N . 15734 1 34 . 1 1 6 6 LEU H H 1 7.940 0.05 . 1 . . . . 158 LEU HN . 15734 1 35 . 1 1 6 6 LEU HA H 1 4.152 0.05 . 1 . . . . 158 LEU HA . 15734 1 36 . 1 1 6 6 LEU HB2 H 1 1.632 0.05 . 2 . . . . 158 LEU HB1 . 15734 1 37 . 1 1 6 6 LEU HB3 H 1 1.762 0.05 . 2 . . . . 158 LEU HB2 . 15734 1 38 . 1 1 6 6 LEU HD11 H 1 0.922 0.05 . 2 . . . . 158 LEU HD11 . 15734 1 39 . 1 1 6 6 LEU HD12 H 1 0.922 0.05 . 2 . . . . 158 LEU HD11 . 15734 1 40 . 1 1 6 6 LEU HD13 H 1 0.922 0.05 . 2 . . . . 158 LEU HD11 . 15734 1 41 . 1 1 6 6 LEU HD21 H 1 0.872 0.05 . 2 . . . . 158 LEU HD21 . 15734 1 42 . 1 1 6 6 LEU HD22 H 1 0.872 0.05 . 2 . . . . 158 LEU HD21 . 15734 1 43 . 1 1 6 6 LEU HD23 H 1 0.872 0.05 . 2 . . . . 158 LEU HD21 . 15734 1 44 . 1 1 6 6 LEU HG H 1 1.600 0.05 . 1 . . . . 158 LEU HG . 15734 1 45 . 1 1 6 6 LEU C C 13 178.800 0.5 . 1 . . . . 158 LEU C . 15734 1 46 . 1 1 6 6 LEU CA C 13 57.900 0.5 . 1 . . . . 158 LEU CA . 15734 1 47 . 1 1 6 6 LEU CB C 13 42.100 0.5 . 1 . . . . 158 LEU CB . 15734 1 48 . 1 1 6 6 LEU CD1 C 13 24.100 0.5 . 1 . . . . 158 LEU CD1 . 15734 1 49 . 1 1 6 6 LEU CD2 C 13 26.100 0.5 . 1 . . . . 158 LEU CD2 . 15734 1 50 . 1 1 6 6 LEU CG C 13 26.900 0.5 . 1 . . . . 158 LEU CG . 15734 1 51 . 1 1 6 6 LEU N N 15 119.300 0.5 . 1 . . . . 158 LEU N . 15734 1 52 . 1 1 7 7 CYS H H 1 8.340 0.05 . 1 . . . . 159 CYS HN . 15734 1 53 . 1 1 7 7 CYS HA H 1 3.992 0.05 . 1 . . . . 159 CYS HA . 15734 1 54 . 1 1 7 7 CYS HB2 H 1 2.372 0.05 . 2 . . . . 159 CYS HB1 . 15734 1 55 . 1 1 7 7 CYS HB3 H 1 2.972 0.05 . 2 . . . . 159 CYS HB2 . 15734 1 56 . 1 1 7 7 CYS CA C 13 64.500 0.5 . 1 . . . . 159 CYS CA . 15734 1 57 . 1 1 7 7 CYS CB C 13 26.700 0.5 . 1 . . . . 159 CYS CB . 15734 1 58 . 1 1 7 7 CYS N N 15 115.900 0.5 . 1 . . . . 159 CYS N . 15734 1 59 . 1 1 8 8 HIS H H 1 8.410 0.05 . 1 . . . . 160 HIS HN . 15734 1 60 . 1 1 8 8 HIS C C 13 175.900 0.5 . 1 . . . . 160 HIS C . 15734 1 61 . 1 1 8 8 HIS CA C 13 61.600 0.5 . 1 . . . . 160 HIS CA . 15734 1 62 . 1 1 8 8 HIS CB C 13 32.400 0.5 . 1 . . . . 160 HIS CB . 15734 1 63 . 1 1 8 8 HIS N N 15 119.800 0.5 . 1 . . . . 160 HIS N . 15734 1 64 . 1 1 9 9 LYS H H 1 7.630 0.05 . 1 . . . . 161 LYS HN . 15734 1 65 . 1 1 9 9 LYS HA H 1 3.832 0.05 . 1 . . . . 161 LYS HA . 15734 1 66 . 1 1 9 9 LYS HB2 H 1 2.172 0.05 . 2 . . . . 161 LYS HB1 . 15734 1 67 . 1 1 9 9 LYS HB3 H 1 1.952 0.05 . 2 . . . . 161 LYS HB2 . 15734 1 68 . 1 1 9 9 LYS HD2 H 1 1.642 0.05 . 2 . . . . 161 LYS HD1 . 15734 1 69 . 1 1 9 9 LYS HD3 H 1 1.672 0.05 . 2 . . . . 161 LYS HD2 . 15734 1 70 . 1 1 9 9 LYS HE2 H 1 3.002 0.05 . 2 . . . . 161 LYS HE1 . 15734 1 71 . 1 1 9 9 LYS HE3 H 1 3.002 0.05 . 2 . . . . 161 LYS HE2 . 15734 1 72 . 1 1 9 9 LYS HG2 H 1 1.710 0.05 . 2 . . . . 161 LYS HG1 . 15734 1 73 . 1 1 9 9 LYS HG3 H 1 1.590 0.05 . 2 . . . . 161 LYS HG2 . 15734 1 74 . 1 1 9 9 LYS CA C 13 59.500 0.5 . 1 . . . . 161 LYS CA . 15734 1 75 . 1 1 9 9 LYS CB C 13 32.100 0.5 . 1 . . . . 161 LYS CB . 15734 1 76 . 1 1 9 9 LYS CD C 13 28.700 0.5 . 1 . . . . 161 LYS CD . 15734 1 77 . 1 1 9 9 LYS CE C 13 42.100 0.5 . 1 . . . . 161 LYS CE . 15734 1 78 . 1 1 9 9 LYS CG C 13 25.400 0.5 . 1 . . . . 161 LYS CG . 15734 1 79 . 1 1 9 9 LYS N N 15 116.700 0.5 . 1 . . . . 161 LYS N . 15734 1 80 . 1 1 10 10 ILE H H 1 8.190 0.05 . 1 . . . . 162 ILE HN . 15734 1 81 . 1 1 10 10 ILE HA H 1 3.662 0.05 . 1 . . . . 162 ILE HA . 15734 1 82 . 1 1 10 10 ILE HB H 1 2.052 0.05 . 1 . . . . 162 ILE HB . 15734 1 83 . 1 1 10 10 ILE HD11 H 1 0.912 0.05 . 1 . . . . 162 ILE HD11 . 15734 1 84 . 1 1 10 10 ILE HD12 H 1 0.912 0.05 . 1 . . . . 162 ILE HD11 . 15734 1 85 . 1 1 10 10 ILE HD13 H 1 0.912 0.05 . 1 . . . . 162 ILE HD11 . 15734 1 86 . 1 1 10 10 ILE HG12 H 1 1.880 0.05 . 1 . . . . 162 ILE HG12 . 15734 1 87 . 1 1 10 10 ILE HG21 H 1 0.780 0.05 . 2 . . . . 162 ILE HG21 . 15734 1 88 . 1 1 10 10 ILE HG22 H 1 0.780 0.05 . 2 . . . . 162 ILE HG21 . 15734 1 89 . 1 1 10 10 ILE HG23 H 1 0.780 0.05 . 2 . . . . 162 ILE HG21 . 15734 1 90 . 1 1 10 10 ILE CA C 13 65.500 0.5 . 1 . . . . 162 ILE CA . 15734 1 91 . 1 1 10 10 ILE CB C 13 37.200 0.5 . 1 . . . . 162 ILE CB . 15734 1 92 . 1 1 10 10 ILE CD1 C 13 17.500 0.5 . 1 . . . . 162 ILE CD1 . 15734 1 93 . 1 1 10 10 ILE CG1 C 13 23.430 0.5 . 2 . . . . 162 ILE CG1 . 15734 1 94 . 1 1 10 10 ILE CG2 C 13 13.900 0.5 . 1 . . . . 162 ILE CG2 . 15734 1 95 . 1 1 10 10 ILE N N 15 120.000 0.5 . 1 . . . . 162 ILE N . 15734 1 96 . 1 1 11 11 PHE H H 1 8.440 0.05 . 1 . . . . 163 PHE HN . 15734 1 97 . 1 1 11 11 PHE HA H 1 4.022 0.05 . 1 . . . . 163 PHE HA . 15734 1 98 . 1 1 11 11 PHE HB2 H 1 2.402 0.05 . 2 . . . . 163 PHE HB1 . 15734 1 99 . 1 1 11 11 PHE HB3 H 1 3.132 0.05 . 2 . . . . 163 PHE HB2 . 15734 1 100 . 1 1 11 11 PHE HD1 H 1 7.130 0.05 . 3 . . . . 163 PHE HD1 . 15734 1 101 . 1 1 11 11 PHE HE1 H 1 7.300 0.05 . 3 . . . . 163 PHE HE1 . 15734 1 102 . 1 1 11 11 PHE C C 13 175.843 0.5 . 1 . . . . 163 PHE C . 15734 1 103 . 1 1 11 11 PHE CA C 13 60.400 0.5 . 1 . . . . 163 PHE CA . 15734 1 104 . 1 1 11 11 PHE CB C 13 37.900 0.5 . 1 . . . . 163 PHE CB . 15734 1 105 . 1 1 11 11 PHE CD1 C 13 130.600 0.5 . 3 . . . . 163 PHE CD1 . 15734 1 106 . 1 1 11 11 PHE CE1 C 13 130.600 0.5 . 3 . . . . 163 PHE CE1 . 15734 1 107 . 1 1 11 11 PHE N N 15 119.800 0.5 . 1 . . . . 163 PHE N . 15734 1 108 . 1 1 12 12 LEU HA H 1 4.092 0.05 . 1 . . . . 164 LEU HA . 15734 1 109 . 1 1 12 12 LEU HB2 H 1 1.772 0.05 . 2 . . . . 164 LEU HB1 . 15734 1 110 . 1 1 12 12 LEU HB3 H 1 1.772 0.05 . 2 . . . . 164 LEU HB2 . 15734 1 111 . 1 1 12 12 LEU HD11 H 1 0.802 0.05 . 2 . . . . 164 LEU HD11 . 15734 1 112 . 1 1 12 12 LEU HD12 H 1 0.802 0.05 . 2 . . . . 164 LEU HD11 . 15734 1 113 . 1 1 12 12 LEU HD13 H 1 0.802 0.05 . 2 . . . . 164 LEU HD11 . 15734 1 114 . 1 1 12 12 LEU HD21 H 1 0.972 0.05 . 2 . . . . 164 LEU HD21 . 15734 1 115 . 1 1 12 12 LEU HD22 H 1 0.972 0.05 . 2 . . . . 164 LEU HD21 . 15734 1 116 . 1 1 12 12 LEU HD23 H 1 0.972 0.05 . 2 . . . . 164 LEU HD21 . 15734 1 117 . 1 1 12 12 LEU HG H 1 1.510 0.05 . 1 . . . . 164 LEU HG . 15734 1 118 . 1 1 12 12 LEU CA C 13 57.300 0.5 . 1 . . . . 164 LEU CA . 15734 1 119 . 1 1 12 12 LEU CB C 13 41.700 0.5 . 1 . . . . 164 LEU CB . 15734 1 120 . 1 1 12 12 LEU CD1 C 13 25.700 0.5 . 1 . . . . 164 LEU CD1 . 15734 1 121 . 1 1 12 12 LEU CD2 C 13 21.400 0.5 . 1 . . . . 164 LEU CD2 . 15734 1 122 . 1 1 12 12 LEU CG C 13 25.100 0.5 . 1 . . . . 164 LEU CG . 15734 1 123 . 1 1 13 13 HIS H H 1 7.810 0.05 . 1 . . . . 165 HIS HN . 15734 1 124 . 1 1 13 13 HIS HA H 1 4.292 0.05 . 1 . . . . 165 HIS HA . 15734 1 125 . 1 1 13 13 HIS HB2 H 1 3.062 0.05 . 2 . . . . 165 HIS HB1 . 15734 1 126 . 1 1 13 13 HIS HB3 H 1 3.172 0.05 . 2 . . . . 165 HIS HB2 . 15734 1 127 . 1 1 13 13 HIS C C 13 178.300 0.5 . 1 . . . . 165 HIS C . 15734 1 128 . 1 1 13 13 HIS CA C 13 59.400 0.5 . 1 . . . . 165 HIS CA . 15734 1 129 . 1 1 13 13 HIS CB C 13 30.900 0.5 . 1 . . . . 165 HIS CB . 15734 1 130 . 1 1 13 13 HIS N N 15 120.200 0.5 . 1 . . . . 165 HIS N . 15734 1 131 . 1 1 14 14 ILE H H 1 8.390 0.05 . 1 . . . . 166 ILE HN . 15734 1 132 . 1 1 14 14 ILE HA H 1 3.442 0.05 . 1 . . . . 166 ILE HA . 15734 1 133 . 1 1 14 14 ILE HB H 1 1.872 0.05 . 1 . . . . 166 ILE HB . 15734 1 134 . 1 1 14 14 ILE HD11 H 1 0.672 0.05 . 1 . . . . 166 ILE HD11 . 15734 1 135 . 1 1 14 14 ILE HD12 H 1 0.672 0.05 . 1 . . . . 166 ILE HD11 . 15734 1 136 . 1 1 14 14 ILE HD13 H 1 0.672 0.05 . 1 . . . . 166 ILE HD11 . 15734 1 137 . 1 1 14 14 ILE HG12 H 1 1.470 0.05 . 1 . . . . 166 ILE HG11 . 15734 1 138 . 1 1 14 14 ILE HG13 H 1 1.070 0.05 . 1 . . . . 166 ILE HG12 . 15734 1 139 . 1 1 14 14 ILE HG21 H 1 0.620 0.05 . 2 . . . . 166 ILE HG21 . 15734 1 140 . 1 1 14 14 ILE HG22 H 1 0.620 0.05 . 2 . . . . 166 ILE HG21 . 15734 1 141 . 1 1 14 14 ILE HG23 H 1 0.620 0.05 . 2 . . . . 166 ILE HG21 . 15734 1 142 . 1 1 14 14 ILE C C 13 178.355 0.5 . 1 . . . . 166 ILE C . 15734 1 143 . 1 1 14 14 ILE CA C 13 64.000 0.5 . 1 . . . . 166 ILE CA . 15734 1 144 . 1 1 14 14 ILE CB C 13 37.900 0.5 . 1 . . . . 166 ILE CB . 15734 1 145 . 1 1 14 14 ILE CD1 C 13 18.200 0.5 . 1 . . . . 166 ILE CD1 . 15734 1 146 . 1 1 14 14 ILE CG1 C 13 29.200 0.5 . 2 . . . . 166 ILE CG1 . 15734 1 147 . 1 1 14 14 ILE CG2 C 13 14.200 0.5 . 1 . . . . 166 ILE CG2 . 15734 1 148 . 1 1 14 14 ILE N N 15 118.200 0.5 . 1 . . . . 166 ILE N . 15734 1 149 . 1 1 15 15 HIS H H 1 8.090 0.05 . 1 . . . . 167 HIS HN . 15734 1 150 . 1 1 15 15 HIS HA H 1 4.842 0.05 . 1 . . . . 167 HIS HA . 15734 1 151 . 1 1 15 15 HIS HB2 H 1 3.102 0.05 . 2 . . . . 167 HIS HB1 . 15734 1 152 . 1 1 15 15 HIS HB3 H 1 3.082 0.05 . 2 . . . . 167 HIS HB2 . 15734 1 153 . 1 1 15 15 HIS HD2 H 1 7.042 0.05 . 3 . . . . 167 HIS HD2 . 15734 1 154 . 1 1 15 15 HIS C C 13 178.500 0.5 . 1 . . . . 167 HIS C . 15734 1 155 . 1 1 15 15 HIS CA C 13 59.500 0.5 . 1 . . . . 167 HIS CA . 15734 1 156 . 1 1 15 15 HIS CB C 13 30.900 0.5 . 1 . . . . 167 HIS CB . 15734 1 157 . 1 1 15 15 HIS CD2 C 13 117.130 0.5 . 1 . . . . 167 HIS CD2 . 15734 1 158 . 1 1 15 15 HIS N N 15 122.100 0.5 . 1 . . . . 167 HIS N . 15734 1 159 . 1 1 16 16 GLY H H 1 7.460 0.05 . 1 . . . . 168 GLY HN . 15734 1 160 . 1 1 16 16 GLY HA2 H 1 3.662 0.05 . 2 . . . . 168 GLY HA1 . 15734 1 161 . 1 1 16 16 GLY HA3 H 1 3.792 0.05 . 2 . . . . 168 GLY HA2 . 15734 1 162 . 1 1 16 16 GLY C C 13 173.900 0.5 . 1 . . . . 168 GLY C . 15734 1 163 . 1 1 16 16 GLY CA C 13 46.100 0.5 . 1 . . . . 168 GLY CA . 15734 1 164 . 1 1 16 16 GLY N N 15 103.600 0.5 . 1 . . . . 168 GLY N . 15734 1 165 . 1 1 17 17 LEU H H 1 7.380 0.05 . 1 . . . . 169 LEU HN . 15734 1 166 . 1 1 17 17 LEU HA H 1 4.392 0.05 . 1 . . . . 169 LEU HA . 15734 1 167 . 1 1 17 17 LEU HB2 H 1 1.692 0.05 . 2 . . . . 169 LEU HB1 . 15734 1 168 . 1 1 17 17 LEU HB3 H 1 1.822 0.05 . 2 . . . . 169 LEU HB2 . 15734 1 169 . 1 1 17 17 LEU HD11 H 1 0.782 0.05 . 2 . . . . 169 LEU HD11 . 15734 1 170 . 1 1 17 17 LEU HD12 H 1 0.782 0.05 . 2 . . . . 169 LEU HD11 . 15734 1 171 . 1 1 17 17 LEU HD13 H 1 0.782 0.05 . 2 . . . . 169 LEU HD11 . 15734 1 172 . 1 1 17 17 LEU HD21 H 1 0.752 0.05 . 2 . . . . 169 LEU HD21 . 15734 1 173 . 1 1 17 17 LEU HD22 H 1 0.752 0.05 . 2 . . . . 169 LEU HD21 . 15734 1 174 . 1 1 17 17 LEU HD23 H 1 0.752 0.05 . 2 . . . . 169 LEU HD21 . 15734 1 175 . 1 1 17 17 LEU HG H 1 1.690 0.05 . 1 . . . . 169 LEU HG . 15734 1 176 . 1 1 17 17 LEU C C 13 177.800 0.5 . 1 . . . . 169 LEU C . 15734 1 177 . 1 1 17 17 LEU CA C 13 56.500 0.5 . 1 . . . . 169 LEU CA . 15734 1 178 . 1 1 17 17 LEU CB C 13 42.400 0.5 . 1 . . . . 169 LEU CB . 15734 1 179 . 1 1 17 17 LEU CD1 C 13 23.100 0.5 . 1 . . . . 169 LEU CD1 . 15734 1 180 . 1 1 17 17 LEU CD2 C 13 25.600 0.5 . 1 . . . . 169 LEU CD2 . 15734 1 181 . 1 1 17 17 LEU CG C 13 26.900 0.5 . 1 . . . . 169 LEU CG . 15734 1 182 . 1 1 17 17 LEU N N 15 118.900 0.5 . 1 . . . . 169 LEU N . 15734 1 183 . 1 1 18 18 ILE H H 1 7.910 0.05 . 1 . . . . 170 ILE HN . 15734 1 184 . 1 1 18 18 ILE HA H 1 4.282 0.05 . 1 . . . . 170 ILE HA . 15734 1 185 . 1 1 18 18 ILE HB H 1 2.052 0.05 . 1 . . . . 170 ILE HB . 15734 1 186 . 1 1 18 18 ILE HD11 H 1 0.972 0.05 . 1 . . . . 170 ILE HD11 . 15734 1 187 . 1 1 18 18 ILE HD12 H 1 0.972 0.05 . 1 . . . . 170 ILE HD11 . 15734 1 188 . 1 1 18 18 ILE HD13 H 1 0.972 0.05 . 1 . . . . 170 ILE HD11 . 15734 1 189 . 1 1 18 18 ILE HG12 H 1 1.460 0.05 . 1 . . . . 170 ILE HG11 . 15734 1 190 . 1 1 18 18 ILE HG13 H 1 1.460 0.05 . 1 . . . . 170 ILE HG12 . 15734 1 191 . 1 1 18 18 ILE HG21 H 1 0.560 0.05 . 2 . . . . 170 ILE HG21 . 15734 1 192 . 1 1 18 18 ILE HG22 H 1 0.560 0.05 . 2 . . . . 170 ILE HG21 . 15734 1 193 . 1 1 18 18 ILE HG23 H 1 0.560 0.05 . 2 . . . . 170 ILE HG21 . 15734 1 194 . 1 1 18 18 ILE CA C 13 61.900 0.5 . 1 . . . . 170 ILE CA . 15734 1 195 . 1 1 18 18 ILE CB C 13 38.900 0.5 . 1 . . . . 170 ILE CB . 15734 1 196 . 1 1 18 18 ILE CD1 C 13 18.000 0.5 . 1 . . . . 170 ILE CD1 . 15734 1 197 . 1 1 18 18 ILE CG1 C 13 27.100 0.5 . 2 . . . . 170 ILE CG1 . 15734 1 198 . 1 1 18 18 ILE CG2 C 13 13.400 0.5 . 1 . . . . 170 ILE CG2 . 15734 1 199 . 1 1 18 18 ILE N N 15 113.000 0.5 . 1 . . . . 170 ILE N . 15734 1 200 . 1 1 19 19 SER H H 1 8.190 0.05 . 1 . . . . 171 SER HN . 15734 1 201 . 1 1 19 19 SER HA H 1 3.702 0.05 . 1 . . . . 171 SER HA . 15734 1 202 . 1 1 19 19 SER HB2 H 1 3.662 0.05 . 2 . . . . 171 SER HB1 . 15734 1 203 . 1 1 19 19 SER HB3 H 1 4.042 0.05 . 2 . . . . 171 SER HB2 . 15734 1 204 . 1 1 19 19 SER C C 13 173.600 0.5 . 1 . . . . 171 SER C . 15734 1 205 . 1 1 19 19 SER CA C 13 58.600 0.5 . 1 . . . . 171 SER CA . 15734 1 206 . 1 1 19 19 SER CB C 13 62.300 0.5 . 1 . . . . 171 SER CB . 15734 1 207 . 1 1 19 19 SER N N 15 113.600 0.5 . 1 . . . . 171 SER N . 15734 1 208 . 1 1 20 20 ALA H H 1 8.240 0.05 . 1 . . . . 172 ALA HN . 15734 1 209 . 1 1 20 20 ALA HA H 1 4.682 0.05 . 1 . . . . 172 ALA HA . 15734 1 210 . 1 1 20 20 ALA HB1 H 1 1.122 0.05 . 1 . . . . 172 ALA HB1 . 15734 1 211 . 1 1 20 20 ALA HB2 H 1 1.122 0.05 . 1 . . . . 172 ALA HB1 . 15734 1 212 . 1 1 20 20 ALA HB3 H 1 1.122 0.05 . 1 . . . . 172 ALA HB1 . 15734 1 213 . 1 1 20 20 ALA CA C 13 50.400 0.5 . 1 . . . . 172 ALA CA . 15734 1 214 . 1 1 20 20 ALA CB C 13 20.600 0.5 . 1 . . . . 172 ALA CB . 15734 1 215 . 1 1 20 20 ALA N N 15 122.500 0.5 . 1 . . . . 172 ALA N . 15734 1 216 . 1 1 21 21 ASP H H 1 8.110 0.05 . 1 . . . . 173 ASP HN . 15734 1 217 . 1 1 21 21 ASP HA H 1 4.782 0.05 . 1 . . . . 173 ASP HA . 15734 1 218 . 1 1 21 21 ASP HB2 H 1 2.962 0.05 . 2 . . . . 173 ASP HB1 . 15734 1 219 . 1 1 21 21 ASP HB3 H 1 3.012 0.05 . 2 . . . . 173 ASP HB2 . 15734 1 220 . 1 1 21 21 ASP C C 13 174.836 0.5 . 1 . . . . 173 ASP C . 15734 1 221 . 1 1 21 21 ASP CA C 13 56.900 0.5 . 1 . . . . 173 ASP CA . 15734 1 222 . 1 1 21 21 ASP CB C 13 44.700 0.5 . 1 . . . . 173 ASP CB . 15734 1 223 . 1 1 21 21 ASP N N 15 118.800 0.5 . 1 . . . . 173 ASP N . 15734 1 224 . 1 1 22 22 ARG H H 1 7.550 0.05 . 1 . . . . 174 ARG HN . 15734 1 225 . 1 1 22 22 ARG HA H 1 5.272 0.05 . 1 . . . . 174 ARG HA . 15734 1 226 . 1 1 22 22 ARG HB2 H 1 1.152 0.05 . 2 . . . . 174 ARG HB1 . 15734 1 227 . 1 1 22 22 ARG HB3 H 1 1.562 0.05 . 2 . . . . 174 ARG HB2 . 15734 1 228 . 1 1 22 22 ARG HD2 H 1 2.542 0.05 . 2 . . . . 174 ARG HD1 . 15734 1 229 . 1 1 22 22 ARG HD3 H 1 3.272 0.05 . 2 . . . . 174 ARG HD2 . 15734 1 230 . 1 1 22 22 ARG HG2 H 1 1.000 0.05 . 2 . . . . 174 ARG HG1 . 15734 1 231 . 1 1 22 22 ARG HG3 H 1 1.240 0.05 . 2 . . . . 174 ARG HG2 . 15734 1 232 . 1 1 22 22 ARG C C 13 173.400 0.5 . 1 . . . . 174 ARG C . 15734 1 233 . 1 1 22 22 ARG CA C 13 52.800 0.5 . 1 . . . . 174 ARG CA . 15734 1 234 . 1 1 22 22 ARG CB C 13 34.200 0.5 . 1 . . . . 174 ARG CB . 15734 1 235 . 1 1 22 22 ARG CD C 13 42.300 0.5 . 1 . . . . 174 ARG CD . 15734 1 236 . 1 1 22 22 ARG CG C 13 26.300 0.5 . 1 . . . . 174 ARG CG . 15734 1 237 . 1 1 22 22 ARG N N 15 112.500 0.5 . 1 . . . . 174 ARG N . 15734 1 238 . 1 1 23 23 TYR H H 1 7.910 0.05 . 1 . . . . 175 TYR HN . 15734 1 239 . 1 1 23 23 TYR HA H 1 5.472 0.05 . 1 . . . . 175 TYR HA . 15734 1 240 . 1 1 23 23 TYR HD1 H 1 6.810 0.05 . 3 . . . . 175 TYR HD1 . 15734 1 241 . 1 1 23 23 TYR HE1 H 1 6.390 0.05 . 3 . . . . 175 TYR HE1 . 15734 1 242 . 1 1 23 23 TYR C C 13 173.800 0.5 . 1 . . . . 175 TYR C . 15734 1 243 . 1 1 23 23 TYR CA C 13 56.300 0.5 . 1 . . . . 175 TYR CA . 15734 1 244 . 1 1 23 23 TYR CB C 13 43.100 0.5 . 1 . . . . 175 TYR CB . 15734 1 245 . 1 1 23 23 TYR CD1 C 13 133.000 0.5 . 3 . . . . 175 TYR CD1 . 15734 1 246 . 1 1 23 23 TYR CE1 C 13 117.600 0.5 . 3 . . . . 175 TYR CE1 . 15734 1 247 . 1 1 23 23 TYR N N 15 115.500 0.5 . 1 . . . . 175 TYR N . 15734 1 248 . 1 1 24 24 SER H H 1 9.050 0.05 . 1 . . . . 176 SER HN . 15734 1 249 . 1 1 24 24 SER HA H 1 4.512 0.05 . 1 . . . . 176 SER HA . 15734 1 250 . 1 1 24 24 SER HB2 H 1 3.832 0.05 . 2 . . . . 176 SER HB1 . 15734 1 251 . 1 1 24 24 SER HB3 H 1 4.832 0.05 . 2 . . . . 176 SER HB2 . 15734 1 252 . 1 1 24 24 SER C C 13 173.600 0.5 . 1 . . . . 176 SER C . 15734 1 253 . 1 1 24 24 SER CA C 13 56.200 0.5 . 1 . . . . 176 SER CA . 15734 1 254 . 1 1 24 24 SER CB C 13 66.200 0.5 . 1 . . . . 176 SER CB . 15734 1 255 . 1 1 24 24 SER N N 15 111.300 0.5 . 1 . . . . 176 SER N . 15734 1 256 . 1 1 25 25 LEU H H 1 8.580 0.05 . 1 . . . . 177 LEU HN . 15734 1 257 . 1 1 25 25 LEU HA H 1 5.292 0.05 . 1 . . . . 177 LEU HA . 15734 1 258 . 1 1 25 25 LEU HB2 H 1 1.532 0.05 . 2 . . . . 177 LEU HB1 . 15734 1 259 . 1 1 25 25 LEU HB3 H 1 1.702 0.05 . 2 . . . . 177 LEU HB2 . 15734 1 260 . 1 1 25 25 LEU HD11 H 1 0.962 0.05 . 2 . . . . 177 LEU HD11 . 15734 1 261 . 1 1 25 25 LEU HD12 H 1 0.962 0.05 . 2 . . . . 177 LEU HD11 . 15734 1 262 . 1 1 25 25 LEU HD13 H 1 0.962 0.05 . 2 . . . . 177 LEU HD11 . 15734 1 263 . 1 1 25 25 LEU HD21 H 1 0.832 0.05 . 2 . . . . 177 LEU HD21 . 15734 1 264 . 1 1 25 25 LEU HD22 H 1 0.832 0.05 . 2 . . . . 177 LEU HD21 . 15734 1 265 . 1 1 25 25 LEU HD23 H 1 0.832 0.05 . 2 . . . . 177 LEU HD21 . 15734 1 266 . 1 1 25 25 LEU HG H 1 1.420 0.05 . 1 . . . . 177 LEU HG . 15734 1 267 . 1 1 25 25 LEU C C 13 174.400 0.5 . 1 . . . . 177 LEU C . 15734 1 268 . 1 1 25 25 LEU CA C 13 54.402 0.5 . 1 . . . . 177 LEU CA . 15734 1 269 . 1 1 25 25 LEU CB C 13 47.100 0.5 . 1 . . . . 177 LEU CB . 15734 1 270 . 1 1 25 25 LEU CD1 C 13 24.100 0.5 . 1 . . . . 177 LEU CD1 . 15734 1 271 . 1 1 25 25 LEU CD2 C 13 25.900 0.5 . 1 . . . . 177 LEU CD2 . 15734 1 272 . 1 1 25 25 LEU CG C 13 28.600 0.5 . 1 . . . . 177 LEU CG . 15734 1 273 . 1 1 25 25 LEU N N 15 118.600 0.5 . 1 . . . . 177 LEU N . 15734 1 274 . 1 1 26 26 PHE H H 1 9.790 0.05 . 1 . . . . 178 PHE HN . 15734 1 275 . 1 1 26 26 PHE HA H 1 5.242 0.05 . 1 . . . . 178 PHE HA . 15734 1 276 . 1 1 26 26 PHE HB2 H 1 2.722 0.05 . 2 . . . . 178 PHE HB1 . 15734 1 277 . 1 1 26 26 PHE HB3 H 1 2.932 0.05 . 2 . . . . 178 PHE HB2 . 15734 1 278 . 1 1 26 26 PHE HD1 H 1 7.000 0.05 . 3 . . . . 178 PHE HD1 . 15734 1 279 . 1 1 26 26 PHE HE1 H 1 7.490 0.05 . 3 . . . . 178 PHE HE1 . 15734 1 280 . 1 1 26 26 PHE C C 13 174.700 0.5 . 1 . . . . 178 PHE C . 15734 1 281 . 1 1 26 26 PHE CA C 13 56.600 0.5 . 1 . . . . 178 PHE CA . 15734 1 282 . 1 1 26 26 PHE CB C 13 42.700 0.5 . 1 . . . . 178 PHE CB . 15734 1 283 . 1 1 26 26 PHE CD1 C 13 128.800 0.5 . 3 . . . . 178 PHE CD1 . 15734 1 284 . 1 1 26 26 PHE CE1 C 13 131.900 0.5 . 3 . . . . 178 PHE CE1 . 15734 1 285 . 1 1 26 26 PHE N N 15 125.500 0.5 . 1 . . . . 178 PHE N . 15734 1 286 . 1 1 27 27 LEU H H 1 9.370 0.05 . 1 . . . . 179 LEU HN . 15734 1 287 . 1 1 27 27 LEU HA H 1 5.062 0.05 . 1 . . . . 179 LEU HA . 15734 1 288 . 1 1 27 27 LEU HB2 H 1 1.642 0.05 . 2 . . . . 179 LEU HB1 . 15734 1 289 . 1 1 27 27 LEU HB3 H 1 1.692 0.05 . 2 . . . . 179 LEU HB2 . 15734 1 290 . 1 1 27 27 LEU HD11 H 1 0.912 0.05 . 2 . . . . 179 LEU HD11 . 15734 1 291 . 1 1 27 27 LEU HD12 H 1 0.912 0.05 . 2 . . . . 179 LEU HD11 . 15734 1 292 . 1 1 27 27 LEU HD13 H 1 0.912 0.05 . 2 . . . . 179 LEU HD11 . 15734 1 293 . 1 1 27 27 LEU HD21 H 1 0.932 0.05 . 2 . . . . 179 LEU HD21 . 15734 1 294 . 1 1 27 27 LEU HD22 H 1 0.932 0.05 . 2 . . . . 179 LEU HD21 . 15734 1 295 . 1 1 27 27 LEU HD23 H 1 0.932 0.05 . 2 . . . . 179 LEU HD21 . 15734 1 296 . 1 1 27 27 LEU HG H 1 1.660 0.05 . 1 . . . . 179 LEU HG . 15734 1 297 . 1 1 27 27 LEU C C 13 176.300 0.5 . 1 . . . . 179 LEU C . 15734 1 298 . 1 1 27 27 LEU CA C 13 53.332 0.5 . 1 . . . . 179 LEU CA . 15734 1 299 . 1 1 27 27 LEU CB C 13 43.800 0.5 . 1 . . . . 179 LEU CB . 15734 1 300 . 1 1 27 27 LEU CD1 C 13 25.600 0.5 . 1 . . . . 179 LEU CD1 . 15734 1 301 . 1 1 27 27 LEU CD2 C 13 23.300 0.5 . 1 . . . . 179 LEU CD2 . 15734 1 302 . 1 1 27 27 LEU CG C 13 27.800 0.5 . 1 . . . . 179 LEU CG . 15734 1 303 . 1 1 27 27 LEU N N 15 120.900 0.5 . 1 . . . . 179 LEU N . 15734 1 304 . 1 1 28 28 VAL H H 1 7.570 0.05 . 1 . . . . 180 VAL HN . 15734 1 305 . 1 1 28 28 VAL HA H 1 4.312 0.05 . 1 . . . . 180 VAL HA . 15734 1 306 . 1 1 28 28 VAL HB H 1 1.942 0.05 . 1 . . . . 180 VAL HB . 15734 1 307 . 1 1 28 28 VAL HG11 H 1 0.960 0.05 . 2 . . . . 180 VAL HG11 . 15734 1 308 . 1 1 28 28 VAL HG12 H 1 0.960 0.05 . 2 . . . . 180 VAL HG11 . 15734 1 309 . 1 1 28 28 VAL HG13 H 1 0.960 0.05 . 2 . . . . 180 VAL HG11 . 15734 1 310 . 1 1 28 28 VAL HG21 H 1 0.990 0.05 . 2 . . . . 180 VAL HG21 . 15734 1 311 . 1 1 28 28 VAL HG22 H 1 0.990 0.05 . 2 . . . . 180 VAL HG21 . 15734 1 312 . 1 1 28 28 VAL HG23 H 1 0.990 0.05 . 2 . . . . 180 VAL HG21 . 15734 1 313 . 1 1 28 28 VAL C C 13 175.600 0.5 . 1 . . . . 180 VAL C . 15734 1 314 . 1 1 28 28 VAL CA C 13 63.200 0.5 . 1 . . . . 180 VAL CA . 15734 1 315 . 1 1 28 28 VAL CB C 13 32.054 0.5 . 1 . . . . 180 VAL CB . 15734 1 316 . 1 1 28 28 VAL CG1 C 13 21.300 0.5 . 1 . . . . 180 VAL CG1 . 15734 1 317 . 1 1 28 28 VAL CG2 C 13 21.600 0.5 . 1 . . . . 180 VAL CG2 . 15734 1 318 . 1 1 28 28 VAL N N 15 121.100 0.5 . 1 . . . . 180 VAL N . 15734 1 319 . 1 1 29 29 CYS H H 1 8.730 0.05 . 1 . . . . 181 CYS HN . 15734 1 320 . 1 1 29 29 CYS HA H 1 4.632 0.05 . 1 . . . . 181 CYS HA . 15734 1 321 . 1 1 29 29 CYS HB2 H 1 1.402 0.05 . 2 . . . . 181 CYS HB1 . 15734 1 322 . 1 1 29 29 CYS HB3 H 1 2.162 0.05 . 2 . . . . 181 CYS HB2 . 15734 1 323 . 1 1 29 29 CYS C C 13 171.600 0.5 . 1 . . . . 181 CYS C . 15734 1 324 . 1 1 29 29 CYS CA C 13 57.261 0.5 . 1 . . . . 181 CYS CA . 15734 1 325 . 1 1 29 29 CYS CB C 13 31.200 0.5 . 1 . . . . 181 CYS CB . 15734 1 326 . 1 1 29 29 CYS N N 15 127.200 0.5 . 1 . . . . 181 CYS N . 15734 1 327 . 1 1 30 30 GLU H H 1 8.040 0.05 . 1 . . . . 182 GLU HN . 15734 1 328 . 1 1 30 30 GLU HA H 1 4.992 0.05 . 1 . . . . 182 GLU HA . 15734 1 329 . 1 1 30 30 GLU HB2 H 1 1.712 0.05 . 2 . . . . 182 GLU HB1 . 15734 1 330 . 1 1 30 30 GLU HB3 H 1 1.852 0.05 . 2 . . . . 182 GLU HB2 . 15734 1 331 . 1 1 30 30 GLU HG2 H 1 1.950 0.05 . 2 . . . . 182 GLU HG1 . 15734 1 332 . 1 1 30 30 GLU HG3 H 1 2.060 0.05 . 2 . . . . 182 GLU HG2 . 15734 1 333 . 1 1 30 30 GLU C C 13 176.100 0.5 . 1 . . . . 182 GLU C . 15734 1 334 . 1 1 30 30 GLU CA C 13 54.770 0.5 . 1 . . . . 182 GLU CA . 15734 1 335 . 1 1 30 30 GLU CB C 13 33.159 0.5 . 1 . . . . 182 GLU CB . 15734 1 336 . 1 1 30 30 GLU CG C 13 36.500 0.5 . 1 . . . . 182 GLU CG . 15734 1 337 . 1 1 30 30 GLU N N 15 119.243 0.5 . 1 . . . . 182 GLU N . 15734 1 338 . 1 1 31 31 ASP H H 1 8.560 0.05 . 1 . . . . 183 ASP HN . 15734 1 339 . 1 1 31 31 ASP HA H 1 4.992 0.05 . 1 . . . . 183 ASP HA . 15734 1 340 . 1 1 31 31 ASP HB2 H 1 2.792 0.05 . 2 . . . . 183 ASP HB1 . 15734 1 341 . 1 1 31 31 ASP HB3 H 1 3.272 0.05 . 2 . . . . 183 ASP HB2 . 15734 1 342 . 1 1 31 31 ASP CA C 13 52.632 0.5 . 1 . . . . 183 ASP CA . 15734 1 343 . 1 1 31 31 ASP CB C 13 42.814 0.5 . 1 . . . . 183 ASP CB . 15734 1 344 . 1 1 31 31 ASP N N 15 123.374 0.5 . 1 . . . . 183 ASP N . 15734 1 345 . 1 1 32 32 SER HA H 1 4.282 0.05 . 1 . . . . 184 SER HA . 15734 1 346 . 1 1 32 32 SER HB2 H 1 4.002 0.05 . 2 . . . . 184 SER HB1 . 15734 1 347 . 1 1 32 32 SER HB3 H 1 4.062 0.05 . 2 . . . . 184 SER HB2 . 15734 1 348 . 1 1 32 32 SER C C 13 175.400 0.5 . 1 . . . . 184 SER C . 15734 1 349 . 1 1 32 32 SER CA C 13 60.900 0.5 . 1 . . . . 184 SER CA . 15734 1 350 . 1 1 32 32 SER CB C 13 62.800 0.5 . 1 . . . . 184 SER CB . 15734 1 351 . 1 1 33 33 SER H H 1 8.320 0.05 . 1 . . . . 185 SER HN . 15734 1 352 . 1 1 33 33 SER HA H 1 4.512 0.05 . 1 . . . . 185 SER HA . 15734 1 353 . 1 1 33 33 SER HB2 H 1 3.962 0.05 . 2 . . . . 185 SER HB1 . 15734 1 354 . 1 1 33 33 SER HB3 H 1 4.062 0.05 . 2 . . . . 185 SER HB2 . 15734 1 355 . 1 1 33 33 SER C C 13 173.900 0.5 . 1 . . . . 185 SER C . 15734 1 356 . 1 1 33 33 SER CA C 13 58.789 0.5 . 1 . . . . 185 SER CA . 15734 1 357 . 1 1 33 33 SER CB C 13 63.548 0.5 . 1 . . . . 185 SER CB . 15734 1 358 . 1 1 33 33 SER N N 15 117.723 0.5 . 1 . . . . 185 SER N . 15734 1 359 . 1 1 34 34 LYS H H 1 8.160 0.05 . 1 . . . . 186 LYS HN . 15734 1 360 . 1 1 34 34 LYS HA H 1 3.822 0.05 . 1 . . . . 186 LYS HA . 15734 1 361 . 1 1 34 34 LYS HB2 H 1 1.982 0.05 . 2 . . . . 186 LYS HB1 . 15734 1 362 . 1 1 34 34 LYS HB3 H 1 2.162 0.05 . 2 . . . . 186 LYS HB2 . 15734 1 363 . 1 1 34 34 LYS HD2 H 1 1.882 0.05 . 2 . . . . 186 LYS HD1 . 15734 1 364 . 1 1 34 34 LYS HD3 H 1 1.882 0.05 . 2 . . . . 186 LYS HD2 . 15734 1 365 . 1 1 34 34 LYS HE2 H 1 2.992 0.05 . 2 . . . . 186 LYS HE1 . 15734 1 366 . 1 1 34 34 LYS HE3 H 1 2.992 0.05 . 2 . . . . 186 LYS HE2 . 15734 1 367 . 1 1 34 34 LYS HG2 H 1 1.330 0.05 . 2 . . . . 186 LYS HG1 . 15734 1 368 . 1 1 34 34 LYS HG3 H 1 1.390 0.05 . 2 . . . . 186 LYS HG2 . 15734 1 369 . 1 1 34 34 LYS C C 13 175.500 0.5 . 1 . . . . 186 LYS C . 15734 1 370 . 1 1 34 34 LYS CA C 13 57.782 0.5 . 1 . . . . 186 LYS CA . 15734 1 371 . 1 1 34 34 LYS CB C 13 29.400 0.5 . 1 . . . . 186 LYS CB . 15734 1 372 . 1 1 34 34 LYS CD C 13 28.700 0.5 . 1 . . . . 186 LYS CD . 15734 1 373 . 1 1 34 34 LYS CE C 13 42.200 0.5 . 1 . . . . 186 LYS CE . 15734 1 374 . 1 1 34 34 LYS CG C 13 25.400 0.5 . 1 . . . . 186 LYS CG . 15734 1 375 . 1 1 34 34 LYS N N 15 114.826 0.5 . 1 . . . . 186 LYS N . 15734 1 376 . 1 1 35 35 ASP H H 1 7.990 0.05 . 1 . . . . 187 ASP HN . 15734 1 377 . 1 1 35 35 ASP HA H 1 4.632 0.05 . 1 . . . . 187 ASP HA . 15734 1 378 . 1 1 35 35 ASP HB2 H 1 2.622 0.05 . 2 . . . . 187 ASP HB1 . 15734 1 379 . 1 1 35 35 ASP HB3 H 1 2.712 0.05 . 2 . . . . 187 ASP HB2 . 15734 1 380 . 1 1 35 35 ASP C C 13 175.500 0.5 . 1 . . . . 187 ASP C . 15734 1 381 . 1 1 35 35 ASP CA C 13 54.400 0.5 . 1 . . . . 187 ASP CA . 15734 1 382 . 1 1 35 35 ASP CB C 13 41.877 0.5 . 1 . . . . 187 ASP CB . 15734 1 383 . 1 1 35 35 ASP N N 15 120.708 0.5 . 1 . . . . 187 ASP N . 15734 1 384 . 1 1 36 36 LYS H H 1 7.790 0.05 . 1 . . . . 188 LYS HN . 15734 1 385 . 1 1 36 36 LYS HA H 1 5.042 0.05 . 1 . . . . 188 LYS HA . 15734 1 386 . 1 1 36 36 LYS HB2 H 1 0.522 0.05 . 2 . . . . 188 LYS HB1 . 15734 1 387 . 1 1 36 36 LYS HB3 H 1 0.952 0.05 . 2 . . . . 188 LYS HB2 . 15734 1 388 . 1 1 36 36 LYS HD2 H 1 0.552 0.05 . 2 . . . . 188 LYS HD1 . 15734 1 389 . 1 1 36 36 LYS HD3 H 1 0.732 0.05 . 2 . . . . 188 LYS HD2 . 15734 1 390 . 1 1 36 36 LYS HE2 H 1 2.262 0.05 . 2 . . . . 188 LYS HE1 . 15734 1 391 . 1 1 36 36 LYS HE3 H 1 2.302 0.05 . 2 . . . . 188 LYS HE2 . 15734 1 392 . 1 1 36 36 LYS HG2 H 1 0.820 0.05 . 2 . . . . 188 LYS HG1 . 15734 1 393 . 1 1 36 36 LYS HG3 H 1 0.940 0.05 . 2 . . . . 188 LYS HG2 . 15734 1 394 . 1 1 36 36 LYS C C 13 175.800 0.5 . 1 . . . . 188 LYS C . 15734 1 395 . 1 1 36 36 LYS CA C 13 55.059 0.5 . 1 . . . . 188 LYS CA . 15734 1 396 . 1 1 36 36 LYS CB C 13 34.689 0.5 . 1 . . . . 188 LYS CB . 15734 1 397 . 1 1 36 36 LYS CD C 13 28.900 0.5 . 1 . . . . 188 LYS CD . 15734 1 398 . 1 1 36 36 LYS CE C 13 41.600 0.5 . 1 . . . . 188 LYS CE . 15734 1 399 . 1 1 36 36 LYS CG C 13 25.500 0.5 . 1 . . . . 188 LYS CG . 15734 1 400 . 1 1 36 36 LYS N N 15 120.600 0.5 . 1 . . . . 188 LYS N . 15734 1 401 . 1 1 37 37 PHE H H 1 8.530 0.05 . 1 . . . . 189 PHE HN . 15734 1 402 . 1 1 37 37 PHE HA H 1 5.002 0.05 . 1 . . . . 189 PHE HA . 15734 1 403 . 1 1 37 37 PHE HB2 H 1 3.192 0.05 . 2 . . . . 189 PHE HB1 . 15734 1 404 . 1 1 37 37 PHE HB3 H 1 3.272 0.05 . 2 . . . . 189 PHE HB2 . 15734 1 405 . 1 1 37 37 PHE HD1 H 1 7.030 0.05 . 3 . . . . 189 PHE HD1 . 15734 1 406 . 1 1 37 37 PHE HE1 H 1 7.090 0.05 . 3 . . . . 189 PHE HE1 . 15734 1 407 . 1 1 37 37 PHE C C 13 172.000 0.5 . 1 . . . . 189 PHE C . 15734 1 408 . 1 1 37 37 PHE CA C 13 56.689 0.5 . 1 . . . . 189 PHE CA . 15734 1 409 . 1 1 37 37 PHE CB C 13 40.582 0.5 . 1 . . . . 189 PHE CB . 15734 1 410 . 1 1 37 37 PHE CD1 C 13 133.000 0.5 . 3 . . . . 189 PHE CD1 . 15734 1 411 . 1 1 37 37 PHE CE1 C 13 130.900 0.5 . 3 . . . . 189 PHE CE1 . 15734 1 412 . 1 1 37 37 PHE N N 15 115.976 0.5 . 1 . . . . 189 PHE N . 15734 1 413 . 1 1 38 38 LEU H H 1 8.930 0.05 . 1 . . . . 190 LEU HN . 15734 1 414 . 1 1 38 38 LEU HA H 1 5.582 0.05 . 1 . . . . 190 LEU HA . 15734 1 415 . 1 1 38 38 LEU HB2 H 1 1.362 0.05 . 2 . . . . 190 LEU HB1 . 15734 1 416 . 1 1 38 38 LEU HB3 H 1 1.802 0.05 . 2 . . . . 190 LEU HB2 . 15734 1 417 . 1 1 38 38 LEU HD11 H 1 0.652 0.05 . 2 . . . . 190 LEU HD11 . 15734 1 418 . 1 1 38 38 LEU HD12 H 1 0.652 0.05 . 2 . . . . 190 LEU HD11 . 15734 1 419 . 1 1 38 38 LEU HD13 H 1 0.652 0.05 . 2 . . . . 190 LEU HD11 . 15734 1 420 . 1 1 38 38 LEU HD21 H 1 0.762 0.05 . 2 . . . . 190 LEU HD21 . 15734 1 421 . 1 1 38 38 LEU HD22 H 1 0.762 0.05 . 2 . . . . 190 LEU HD21 . 15734 1 422 . 1 1 38 38 LEU HD23 H 1 0.762 0.05 . 2 . . . . 190 LEU HD21 . 15734 1 423 . 1 1 38 38 LEU HG H 1 1.630 0.05 . 1 . . . . 190 LEU HG . 15734 1 424 . 1 1 38 38 LEU C C 13 175.900 0.5 . 1 . . . . 190 LEU C . 15734 1 425 . 1 1 38 38 LEU CA C 13 53.611 0.5 . 1 . . . . 190 LEU CA . 15734 1 426 . 1 1 38 38 LEU CB C 13 45.430 0.5 . 1 . . . . 190 LEU CB . 15734 1 427 . 1 1 38 38 LEU CD1 C 13 26.300 0.5 . 1 . . . . 190 LEU CD1 . 15734 1 428 . 1 1 38 38 LEU CD2 C 13 25.800 0.5 . 1 . . . . 190 LEU CD2 . 15734 1 429 . 1 1 38 38 LEU CG C 13 28.500 0.5 . 1 . . . . 190 LEU CG . 15734 1 430 . 1 1 38 38 LEU N N 15 119.237 0.5 . 1 . . . . 190 LEU N . 15734 1 431 . 1 1 39 39 ILE H H 1 8.890 0.05 . 1 . . . . 191 ILE HN . 15734 1 432 . 1 1 39 39 ILE HA H 1 5.712 0.05 . 1 . . . . 191 ILE HA . 15734 1 433 . 1 1 39 39 ILE HB H 1 1.852 0.05 . 1 . . . . 191 ILE HB . 15734 1 434 . 1 1 39 39 ILE HD11 H 1 0.972 0.05 . 1 . . . . 191 ILE HD11 . 15734 1 435 . 1 1 39 39 ILE HD12 H 1 0.972 0.05 . 1 . . . . 191 ILE HD11 . 15734 1 436 . 1 1 39 39 ILE HD13 H 1 0.972 0.05 . 1 . . . . 191 ILE HD11 . 15734 1 437 . 1 1 39 39 ILE HG12 H 1 1.300 0.05 . 1 . . . . 191 ILE HG11 . 15734 1 438 . 1 1 39 39 ILE HG13 H 1 1.560 0.05 . 1 . . . . 191 ILE HG12 . 15734 1 439 . 1 1 39 39 ILE HG21 H 1 0.980 0.05 . 2 . . . . 191 ILE HG21 . 15734 1 440 . 1 1 39 39 ILE HG22 H 1 0.980 0.05 . 2 . . . . 191 ILE HG21 . 15734 1 441 . 1 1 39 39 ILE HG23 H 1 0.980 0.05 . 2 . . . . 191 ILE HG21 . 15734 1 442 . 1 1 39 39 ILE C C 13 175.000 0.5 . 1 . . . . 191 ILE C . 15734 1 443 . 1 1 39 39 ILE CA C 13 57.392 0.5 . 1 . . . . 191 ILE CA . 15734 1 444 . 1 1 39 39 ILE CB C 13 42.900 0.5 . 1 . . . . 191 ILE CB . 15734 1 445 . 1 1 39 39 ILE CD1 C 13 18.000 0.5 . 1 . . . . 191 ILE CD1 . 15734 1 446 . 1 1 39 39 ILE CG1 C 13 28.400 0.5 . 2 . . . . 191 ILE CG1 . 15734 1 447 . 1 1 39 39 ILE CG2 C 13 14.300 0.5 . 1 . . . . 191 ILE CG2 . 15734 1 448 . 1 1 39 39 ILE N N 15 119.076 0.5 . 1 . . . . 191 ILE N . 15734 1 449 . 1 1 40 40 SER H H 1 8.920 0.05 . 1 . . . . 192 SER HN . 15734 1 450 . 1 1 40 40 SER HA H 1 4.462 0.05 . 1 . . . . 192 SER HA . 15734 1 451 . 1 1 40 40 SER HB2 H 1 3.712 0.05 . 2 . . . . 192 SER HB1 . 15734 1 452 . 1 1 40 40 SER HB3 H 1 3.882 0.05 . 2 . . . . 192 SER HB2 . 15734 1 453 . 1 1 40 40 SER C C 13 173.900 0.5 . 1 . . . . 192 SER C . 15734 1 454 . 1 1 40 40 SER CA C 13 57.800 0.5 . 1 . . . . 192 SER CA . 15734 1 455 . 1 1 40 40 SER CB C 13 63.917 0.5 . 1 . . . . 192 SER CB . 15734 1 456 . 1 1 40 40 SER N N 15 123.169 0.5 . 1 . . . . 192 SER N . 15734 1 457 . 1 1 41 41 ARG H H 1 8.730 0.05 . 1 . . . . 193 ARG HN . 15734 1 458 . 1 1 41 41 ARG HA H 1 4.662 0.05 . 1 . . . . 193 ARG HA . 15734 1 459 . 1 1 41 41 ARG HB2 H 1 1.572 0.05 . 2 . . . . 193 ARG HB1 . 15734 1 460 . 1 1 41 41 ARG HB3 H 1 1.792 0.05 . 2 . . . . 193 ARG HB2 . 15734 1 461 . 1 1 41 41 ARG HD2 H 1 3.332 0.05 . 2 . . . . 193 ARG HD1 . 15734 1 462 . 1 1 41 41 ARG HD3 H 1 3.382 0.05 . 2 . . . . 193 ARG HD2 . 15734 1 463 . 1 1 41 41 ARG HG2 H 1 1.580 0.05 . 2 . . . . 193 ARG HG1 . 15734 1 464 . 1 1 41 41 ARG HG3 H 1 1.580 0.05 . 2 . . . . 193 ARG HG2 . 15734 1 465 . 1 1 41 41 ARG C C 13 176.500 0.5 . 1 . . . . 193 ARG C . 15734 1 466 . 1 1 41 41 ARG CA C 13 54.701 0.5 . 1 . . . . 193 ARG CA . 15734 1 467 . 1 1 41 41 ARG CB C 13 32.722 0.5 . 1 . . . . 193 ARG CB . 15734 1 468 . 1 1 41 41 ARG CD C 13 42.100 0.5 . 1 . . . . 193 ARG CD . 15734 1 469 . 1 1 41 41 ARG CG C 13 27.000 0.5 . 1 . . . . 193 ARG CG . 15734 1 470 . 1 1 41 41 ARG N N 15 120.184 0.5 . 1 . . . . 193 ARG N . 15734 1 471 . 1 1 42 42 LEU H H 1 7.610 0.05 . 1 . . . . 194 LEU HN . 15734 1 472 . 1 1 42 42 LEU HA H 1 5.072 0.05 . 1 . . . . 194 LEU HA . 15734 1 473 . 1 1 42 42 LEU HB2 H 1 1.562 0.05 . 2 . . . . 194 LEU HB1 . 15734 1 474 . 1 1 42 42 LEU HB3 H 1 1.602 0.05 . 2 . . . . 194 LEU HB2 . 15734 1 475 . 1 1 42 42 LEU HD11 H 1 0.902 0.05 . 2 . . . . 194 LEU HD11 . 15734 1 476 . 1 1 42 42 LEU HD12 H 1 0.902 0.05 . 2 . . . . 194 LEU HD11 . 15734 1 477 . 1 1 42 42 LEU HD13 H 1 0.902 0.05 . 2 . . . . 194 LEU HD11 . 15734 1 478 . 1 1 42 42 LEU HG H 1 1.670 0.05 . 1 . . . . 194 LEU HG . 15734 1 479 . 1 1 42 42 LEU C C 13 175.600 0.5 . 1 . . . . 194 LEU C . 15734 1 480 . 1 1 42 42 LEU CA C 13 53.400 0.5 . 1 . . . . 194 LEU CA . 15734 1 481 . 1 1 42 42 LEU CB C 13 45.300 0.5 . 1 . . . . 194 LEU CB . 15734 1 482 . 1 1 42 42 LEU CD1 C 13 24.200 0.5 . 1 . . . . 194 LEU CD1 . 15734 1 483 . 1 1 42 42 LEU CG C 13 27.900 0.5 . 1 . . . . 194 LEU CG . 15734 1 484 . 1 1 42 42 LEU N N 15 115.300 0.5 . 1 . . . . 194 LEU N . 15734 1 485 . 1 1 43 43 PHE H H 1 8.830 0.05 . 1 . . . . 195 PHE HN . 15734 1 486 . 1 1 43 43 PHE HA H 1 4.422 0.05 . 1 . . . . 195 PHE HA . 15734 1 487 . 1 1 43 43 PHE HB2 H 1 2.732 0.05 . 2 . . . . 195 PHE HB1 . 15734 1 488 . 1 1 43 43 PHE HB3 H 1 2.712 0.05 . 2 . . . . 195 PHE HB2 . 15734 1 489 . 1 1 43 43 PHE HD1 H 1 6.860 0.05 . 3 . . . . 195 PHE HD1 . 15734 1 490 . 1 1 43 43 PHE HE1 H 1 6.510 0.05 . 3 . . . . 195 PHE HE1 . 15734 1 491 . 1 1 43 43 PHE C C 13 173.300 0.5 . 1 . . . . 195 PHE C . 15734 1 492 . 1 1 43 43 PHE CA C 13 58.561 0.5 . 1 . . . . 195 PHE CA . 15734 1 493 . 1 1 43 43 PHE CB C 13 43.473 0.5 . 1 . . . . 195 PHE CB . 15734 1 494 . 1 1 43 43 PHE CD1 C 13 131.700 0.5 . 3 . . . . 195 PHE CD1 . 15734 1 495 . 1 1 43 43 PHE CE1 C 13 130.300 0.5 . 3 . . . . 195 PHE CE1 . 15734 1 496 . 1 1 43 43 PHE N N 15 122.447 0.5 . 1 . . . . 195 PHE N . 15734 1 497 . 1 1 44 44 ASP H H 1 8.920 0.05 . 1 . . . . 196 ASP HN . 15734 1 498 . 1 1 44 44 ASP HA H 1 4.262 0.05 . 1 . . . . 196 ASP HA . 15734 1 499 . 1 1 44 44 ASP HB2 H 1 2.732 0.05 . 2 . . . . 196 ASP HB1 . 15734 1 500 . 1 1 44 44 ASP HB3 H 1 3.242 0.05 . 2 . . . . 196 ASP HB2 . 15734 1 501 . 1 1 44 44 ASP C C 13 176.500 0.5 . 1 . . . . 196 ASP C . 15734 1 502 . 1 1 44 44 ASP CA C 13 55.599 0.5 . 1 . . . . 196 ASP CA . 15734 1 503 . 1 1 44 44 ASP CB C 13 39.303 0.5 . 1 . . . . 196 ASP CB . 15734 1 504 . 1 1 44 44 ASP N N 15 126.430 0.5 . 1 . . . . 196 ASP N . 15734 1 505 . 1 1 45 45 VAL H H 1 8.770 0.05 . 1 . . . . 197 VAL HN . 15734 1 506 . 1 1 45 45 VAL HA H 1 3.672 0.05 . 1 . . . . 197 VAL HA . 15734 1 507 . 1 1 45 45 VAL HB H 1 2.392 0.05 . 1 . . . . 197 VAL HB . 15734 1 508 . 1 1 45 45 VAL HG11 H 1 0.890 0.05 . 2 . . . . 197 VAL HG11 . 15734 1 509 . 1 1 45 45 VAL HG12 H 1 0.890 0.05 . 2 . . . . 197 VAL HG11 . 15734 1 510 . 1 1 45 45 VAL HG13 H 1 0.890 0.05 . 2 . . . . 197 VAL HG11 . 15734 1 511 . 1 1 45 45 VAL HG21 H 1 1.050 0.05 . 2 . . . . 197 VAL HG21 . 15734 1 512 . 1 1 45 45 VAL HG22 H 1 1.050 0.05 . 2 . . . . 197 VAL HG21 . 15734 1 513 . 1 1 45 45 VAL HG23 H 1 1.050 0.05 . 2 . . . . 197 VAL HG21 . 15734 1 514 . 1 1 45 45 VAL C C 13 174.700 0.5 . 1 . . . . 197 VAL C . 15734 1 515 . 1 1 45 45 VAL CA C 13 65.050 0.5 . 1 . . . . 197 VAL CA . 15734 1 516 . 1 1 45 45 VAL CB C 13 30.958 0.5 . 1 . . . . 197 VAL CB . 15734 1 517 . 1 1 45 45 VAL CG1 C 13 21.700 0.5 . 1 . . . . 197 VAL CG1 . 15734 1 518 . 1 1 45 45 VAL CG2 C 13 24.600 0.5 . 1 . . . . 197 VAL CG2 . 15734 1 519 . 1 1 45 45 VAL N N 15 117.594 0.5 . 1 . . . . 197 VAL N . 15734 1 520 . 1 1 46 46 ALA H H 1 7.600 0.05 . 1 . . . . 198 ALA HN . 15734 1 521 . 1 1 46 46 ALA HA H 1 4.792 0.05 . 1 . . . . 198 ALA HA . 15734 1 522 . 1 1 46 46 ALA HB1 H 1 1.432 0.05 . 1 . . . . 198 ALA HB1 . 15734 1 523 . 1 1 46 46 ALA HB2 H 1 1.432 0.05 . 1 . . . . 198 ALA HB1 . 15734 1 524 . 1 1 46 46 ALA HB3 H 1 1.432 0.05 . 1 . . . . 198 ALA HB1 . 15734 1 525 . 1 1 46 46 ALA C C 13 177.000 0.5 . 1 . . . . 198 ALA C . 15734 1 526 . 1 1 46 46 ALA CA C 13 49.887 0.5 . 1 . . . . 198 ALA CA . 15734 1 527 . 1 1 46 46 ALA CB C 13 23.300 0.5 . 1 . . . . 198 ALA CB . 15734 1 528 . 1 1 46 46 ALA N N 15 126.470 0.5 . 1 . . . . 198 ALA N . 15734 1 529 . 1 1 47 47 GLU H H 1 8.280 0.05 . 1 . . . . 199 GLU HN . 15734 1 530 . 1 1 47 47 GLU HA H 1 3.692 0.05 . 1 . . . . 199 GLU HA . 15734 1 531 . 1 1 47 47 GLU HB2 H 1 1.742 0.05 . 2 . . . . 199 GLU HB1 . 15734 1 532 . 1 1 47 47 GLU HB3 H 1 1.872 0.05 . 2 . . . . 199 GLU HB2 . 15734 1 533 . 1 1 47 47 GLU HG2 H 1 2.210 0.05 . 2 . . . . 199 GLU HG1 . 15734 1 534 . 1 1 47 47 GLU HG3 H 1 2.250 0.05 . 2 . . . . 199 GLU HG2 . 15734 1 535 . 1 1 47 47 GLU C C 13 177.400 0.5 . 1 . . . . 199 GLU C . 15734 1 536 . 1 1 47 47 GLU CA C 13 58.475 0.5 . 1 . . . . 199 GLU CA . 15734 1 537 . 1 1 47 47 GLU CB C 13 29.563 0.5 . 1 . . . . 199 GLU CB . 15734 1 538 . 1 1 47 47 GLU CG C 13 36.100 0.5 . 1 . . . . 199 GLU CG . 15734 1 539 . 1 1 47 47 GLU N N 15 120.980 0.5 . 1 . . . . 199 GLU N . 15734 1 540 . 1 1 48 48 GLY H H 1 8.680 0.05 . 1 . . . . 200 GLY HN . 15734 1 541 . 1 1 48 48 GLY HA2 H 1 3.752 0.05 . 2 . . . . 200 GLY HA1 . 15734 1 542 . 1 1 48 48 GLY HA3 H 1 3.832 0.05 . 2 . . . . 200 GLY HA2 . 15734 1 543 . 1 1 48 48 GLY C C 13 174.700 0.5 . 1 . . . . 200 GLY C . 15734 1 544 . 1 1 48 48 GLY CA C 13 45.399 0.5 . 1 . . . . 200 GLY CA . 15734 1 545 . 1 1 48 48 GLY N N 15 112.702 0.5 . 1 . . . . 200 GLY N . 15734 1 546 . 1 1 49 49 SER H H 1 8.010 0.05 . 1 . . . . 201 SER HN . 15734 1 547 . 1 1 49 49 SER HA H 1 4.752 0.05 . 1 . . . . 201 SER HA . 15734 1 548 . 1 1 49 49 SER HB2 H 1 4.182 0.05 . 2 . . . . 201 SER HB1 . 15734 1 549 . 1 1 49 49 SER HB3 H 1 4.182 0.05 . 2 . . . . 201 SER HB2 . 15734 1 550 . 1 1 49 49 SER C C 13 175.500 0.5 . 1 . . . . 201 SER C . 15734 1 551 . 1 1 49 49 SER CA C 13 58.600 0.5 . 1 . . . . 201 SER CA . 15734 1 552 . 1 1 49 49 SER CB C 13 65.083 0.5 . 1 . . . . 201 SER CB . 15734 1 553 . 1 1 49 49 SER N N 15 115.704 0.5 . 1 . . . . 201 SER N . 15734 1 554 . 1 1 50 50 THR H H 1 8.710 0.05 . 1 . . . . 202 THR HN . 15734 1 555 . 1 1 50 50 THR HA H 1 4.632 0.05 . 1 . . . . 202 THR HA . 15734 1 556 . 1 1 50 50 THR HB H 1 4.672 0.05 . 1 . . . . 202 THR HB . 15734 1 557 . 1 1 50 50 THR HG21 H 1 1.390 0.05 . 1 . . . . 202 THR HG21 . 15734 1 558 . 1 1 50 50 THR HG22 H 1 1.390 0.05 . 1 . . . . 202 THR HG21 . 15734 1 559 . 1 1 50 50 THR HG23 H 1 1.390 0.05 . 1 . . . . 202 THR HG21 . 15734 1 560 . 1 1 50 50 THR C C 13 175.200 0.5 . 1 . . . . 202 THR C . 15734 1 561 . 1 1 50 50 THR CA C 13 60.262 0.5 . 1 . . . . 202 THR CA . 15734 1 562 . 1 1 50 50 THR CB C 13 71.600 0.5 . 1 . . . . 202 THR CB . 15734 1 563 . 1 1 50 50 THR CG2 C 13 22.000 0.5 . 1 . . . . 202 THR CG2 . 15734 1 564 . 1 1 50 50 THR N N 15 114.730 0.5 . 1 . . . . 202 THR N . 15734 1 565 . 1 1 51 51 LEU H H 1 8.660 0.05 . 1 . . . . 203 LEU HN . 15734 1 566 . 1 1 51 51 LEU HA H 1 3.082 0.05 . 1 . . . . 203 LEU HA . 15734 1 567 . 1 1 51 51 LEU HB2 H 1 1.282 0.05 . 2 . . . . 203 LEU HB1 . 15734 1 568 . 1 1 51 51 LEU HB3 H 1 1.632 0.05 . 2 . . . . 203 LEU HB2 . 15734 1 569 . 1 1 51 51 LEU HD11 H 1 0.862 0.05 . 2 . . . . 203 LEU HD11 . 15734 1 570 . 1 1 51 51 LEU HD12 H 1 0.862 0.05 . 2 . . . . 203 LEU HD11 . 15734 1 571 . 1 1 51 51 LEU HD13 H 1 0.862 0.05 . 2 . . . . 203 LEU HD11 . 15734 1 572 . 1 1 51 51 LEU HD21 H 1 0.652 0.05 . 2 . . . . 203 LEU HD21 . 15734 1 573 . 1 1 51 51 LEU HD22 H 1 0.652 0.05 . 2 . . . . 203 LEU HD21 . 15734 1 574 . 1 1 51 51 LEU HD23 H 1 0.652 0.05 . 2 . . . . 203 LEU HD21 . 15734 1 575 . 1 1 51 51 LEU HG H 1 1.300 0.05 . 1 . . . . 203 LEU HG . 15734 1 576 . 1 1 51 51 LEU C C 13 179.300 0.5 . 1 . . . . 203 LEU C . 15734 1 577 . 1 1 51 51 LEU CA C 13 57.743 0.5 . 1 . . . . 203 LEU CA . 15734 1 578 . 1 1 51 51 LEU CB C 13 41.200 0.5 . 1 . . . . 203 LEU CB . 15734 1 579 . 1 1 51 51 LEU CD1 C 13 24.400 0.5 . 1 . . . . 203 LEU CD1 . 15734 1 580 . 1 1 51 51 LEU CD2 C 13 23.900 0.5 . 1 . . . . 203 LEU CD2 . 15734 1 581 . 1 1 51 51 LEU CG C 13 27.200 0.5 . 1 . . . . 203 LEU CG . 15734 1 582 . 1 1 51 51 LEU N N 15 123.021 0.5 . 1 . . . . 203 LEU N . 15734 1 583 . 1 1 52 52 GLU H H 1 8.760 0.05 . 1 . . . . 204 GLU HN . 15734 1 584 . 1 1 52 52 GLU HA H 1 3.822 0.05 . 1 . . . . 204 GLU HA . 15734 1 585 . 1 1 52 52 GLU HB2 H 1 1.932 0.05 . 2 . . . . 204 GLU HB1 . 15734 1 586 . 1 1 52 52 GLU HB3 H 1 2.072 0.05 . 2 . . . . 204 GLU HB2 . 15734 1 587 . 1 1 52 52 GLU HG2 H 1 2.230 0.05 . 2 . . . . 204 GLU HG1 . 15734 1 588 . 1 1 52 52 GLU HG3 H 1 2.360 0.05 . 2 . . . . 204 GLU HG2 . 15734 1 589 . 1 1 52 52 GLU C C 13 178.800 0.5 . 1 . . . . 204 GLU C . 15734 1 590 . 1 1 52 52 GLU CA C 13 60.068 0.5 . 1 . . . . 204 GLU CA . 15734 1 591 . 1 1 52 52 GLU CB C 13 29.200 0.5 . 1 . . . . 204 GLU CB . 15734 1 592 . 1 1 52 52 GLU CG C 13 36.700 0.5 . 1 . . . . 204 GLU CG . 15734 1 593 . 1 1 52 52 GLU N N 15 118.773 0.5 . 1 . . . . 204 GLU N . 15734 1 594 . 1 1 53 53 GLU H H 1 7.520 0.05 . 1 . . . . 205 GLU HN . 15734 1 595 . 1 1 53 53 GLU HA H 1 4.092 0.05 . 1 . . . . 205 GLU HA . 15734 1 596 . 1 1 53 53 GLU HB2 H 1 2.142 0.05 . 2 . . . . 205 GLU HB1 . 15734 1 597 . 1 1 53 53 GLU HB3 H 1 2.282 0.05 . 2 . . . . 205 GLU HB2 . 15734 1 598 . 1 1 53 53 GLU HG2 H 1 2.340 0.05 . 2 . . . . 205 GLU HG1 . 15734 1 599 . 1 1 53 53 GLU HG3 H 1 2.370 0.05 . 2 . . . . 205 GLU HG2 . 15734 1 600 . 1 1 53 53 GLU C C 13 178.600 0.5 . 1 . . . . 205 GLU C . 15734 1 601 . 1 1 53 53 GLU CA C 13 58.300 0.5 . 1 . . . . 205 GLU CA . 15734 1 602 . 1 1 53 53 GLU CB C 13 30.190 0.5 . 1 . . . . 205 GLU CB . 15734 1 603 . 1 1 53 53 GLU CG C 13 37.200 0.5 . 1 . . . . 205 GLU CG . 15734 1 604 . 1 1 53 53 GLU N N 15 117.700 0.5 . 1 . . . . 205 GLU N . 15734 1 605 . 1 1 54 54 ALA H H 1 7.870 0.05 . 1 . . . . 206 ALA HN . 15734 1 606 . 1 1 54 54 ALA HA H 1 4.642 0.05 . 1 . . . . 206 ALA HA . 15734 1 607 . 1 1 54 54 ALA HB1 H 1 1.482 0.05 . 1 . . . . 206 ALA HB1 . 15734 1 608 . 1 1 54 54 ALA HB2 H 1 1.482 0.05 . 1 . . . . 206 ALA HB1 . 15734 1 609 . 1 1 54 54 ALA HB3 H 1 1.482 0.05 . 1 . . . . 206 ALA HB1 . 15734 1 610 . 1 1 54 54 ALA C C 13 173.500 0.5 . 1 . . . . 206 ALA C . 15734 1 611 . 1 1 54 54 ALA CA C 13 53.000 0.5 . 1 . . . . 206 ALA CA . 15734 1 612 . 1 1 54 54 ALA CB C 13 21.400 0.5 . 1 . . . . 206 ALA CB . 15734 1 613 . 1 1 54 54 ALA N N 15 119.533 0.5 . 1 . . . . 206 ALA N . 15734 1 614 . 1 1 55 55 SER H H 1 7.600 0.05 . 1 . . . . 207 SER HN . 15734 1 615 . 1 1 55 55 SER HA H 1 4.822 0.05 . 1 . . . . 207 SER HA . 15734 1 616 . 1 1 55 55 SER HB2 H 1 3.712 0.05 . 2 . . . . 207 SER HB1 . 15734 1 617 . 1 1 55 55 SER HB3 H 1 4.042 0.05 . 2 . . . . 207 SER HB2 . 15734 1 618 . 1 1 55 55 SER C C 13 174.500 0.5 . 1 . . . . 207 SER C . 15734 1 619 . 1 1 55 55 SER CA C 13 58.068 0.5 . 1 . . . . 207 SER CA . 15734 1 620 . 1 1 55 55 SER CB C 13 64.500 0.5 . 1 . . . . 207 SER CB . 15734 1 621 . 1 1 55 55 SER N N 15 110.255 0.5 . 1 . . . . 207 SER N . 15734 1 622 . 1 1 56 56 ASN H H 1 7.470 0.05 . 1 . . . . 208 ASN HN . 15734 1 623 . 1 1 56 56 ASN HA H 1 4.692 0.05 . 1 . . . . 208 ASN HA . 15734 1 624 . 1 1 56 56 ASN HB2 H 1 2.822 0.05 . 2 . . . . 208 ASN HB1 . 15734 1 625 . 1 1 56 56 ASN HB3 H 1 2.922 0.05 . 2 . . . . 208 ASN HB2 . 15734 1 626 . 1 1 56 56 ASN CA C 13 53.843 0.5 . 1 . . . . 208 ASN CA . 15734 1 627 . 1 1 56 56 ASN CB C 13 39.500 0.5 . 1 . . . . 208 ASN CB . 15734 1 628 . 1 1 56 56 ASN N N 15 121.318 0.5 . 1 . . . . 208 ASN N . 15734 1 629 . 1 1 57 57 ASN H H 1 8.070 0.05 . 1 . . . . 209 ASN HN . 15734 1 630 . 1 1 57 57 ASN CA C 13 55.300 0.5 . 1 . . . . 209 ASN CA . 15734 1 631 . 1 1 57 57 ASN CB C 13 42.100 0.5 . 1 . . . . 209 ASN CB . 15734 1 632 . 1 1 57 57 ASN N N 15 121.800 0.5 . 1 . . . . 209 ASN N . 15734 1 633 . 1 1 58 58 CYS HA H 1 4.302 0.05 . 1 . . . . 210 CYS HA . 15734 1 634 . 1 1 58 58 CYS HB2 H 1 2.782 0.05 . 2 . . . . 210 CYS HB1 . 15734 1 635 . 1 1 58 58 CYS HB3 H 1 2.802 0.05 . 2 . . . . 210 CYS HB2 . 15734 1 636 . 1 1 58 58 CYS C C 13 173.600 0.5 . 1 . . . . 210 CYS C . 15734 1 637 . 1 1 58 58 CYS CA C 13 58.400 0.5 . 1 . . . . 210 CYS CA . 15734 1 638 . 1 1 58 58 CYS CB C 13 28.200 0.5 . 1 . . . . 210 CYS CB . 15734 1 639 . 1 1 59 59 ILE H H 1 8.240 0.05 . 1 . . . . 211 ILE HN . 15734 1 640 . 1 1 59 59 ILE HA H 1 4.112 0.05 . 1 . . . . 211 ILE HA . 15734 1 641 . 1 1 59 59 ILE HB H 1 1.442 0.05 . 1 . . . . 211 ILE HB . 15734 1 642 . 1 1 59 59 ILE HD11 H 1 0.622 0.05 . 1 . . . . 211 ILE HD11 . 15734 1 643 . 1 1 59 59 ILE HD12 H 1 0.622 0.05 . 1 . . . . 211 ILE HD11 . 15734 1 644 . 1 1 59 59 ILE HD13 H 1 0.622 0.05 . 1 . . . . 211 ILE HD11 . 15734 1 645 . 1 1 59 59 ILE HG12 H 1 0.510 0.05 . 1 . . . . 211 ILE HG11 . 15734 1 646 . 1 1 59 59 ILE HG13 H 1 0.510 0.05 . 1 . . . . 211 ILE HG12 . 15734 1 647 . 1 1 59 59 ILE HG21 H 1 0.070 0.05 . 2 . . . . 211 ILE HG21 . 15734 1 648 . 1 1 59 59 ILE HG22 H 1 0.070 0.05 . 2 . . . . 211 ILE HG21 . 15734 1 649 . 1 1 59 59 ILE HG23 H 1 0.070 0.05 . 2 . . . . 211 ILE HG21 . 15734 1 650 . 1 1 59 59 ILE C C 13 173.700 0.5 . 1 . . . . 211 ILE C . 15734 1 651 . 1 1 59 59 ILE CA C 13 59.619 0.5 . 1 . . . . 211 ILE CA . 15734 1 652 . 1 1 59 59 ILE CB C 13 38.351 0.5 . 1 . . . . 211 ILE CB . 15734 1 653 . 1 1 59 59 ILE CD1 C 13 16.500 0.5 . 1 . . . . 211 ILE CD1 . 15734 1 654 . 1 1 59 59 ILE CG1 C 13 26.000 0.5 . 2 . . . . 211 ILE CG1 . 15734 1 655 . 1 1 59 59 ILE CG2 C 13 11.200 0.5 . 1 . . . . 211 ILE CG2 . 15734 1 656 . 1 1 59 59 ILE N N 15 126.355 0.5 . 1 . . . . 211 ILE N . 15734 1 657 . 1 1 60 60 ARG H H 1 8.180 0.05 . 1 . . . . 212 ARG HN . 15734 1 658 . 1 1 60 60 ARG HA H 1 5.452 0.05 . 1 . . . . 212 ARG HA . 15734 1 659 . 1 1 60 60 ARG HB2 H 1 1.552 0.05 . 2 . . . . 212 ARG HB1 . 15734 1 660 . 1 1 60 60 ARG HB3 H 1 1.732 0.05 . 2 . . . . 212 ARG HB2 . 15734 1 661 . 1 1 60 60 ARG HD2 H 1 2.782 0.05 . 2 . . . . 212 ARG HD1 . 15734 1 662 . 1 1 60 60 ARG HD3 H 1 2.812 0.05 . 2 . . . . 212 ARG HD2 . 15734 1 663 . 1 1 60 60 ARG HG2 H 1 1.350 0.05 . 2 . . . . 212 ARG HG1 . 15734 1 664 . 1 1 60 60 ARG HG3 H 1 1.660 0.05 . 2 . . . . 212 ARG HG2 . 15734 1 665 . 1 1 60 60 ARG C C 13 175.300 0.5 . 1 . . . . 212 ARG C . 15734 1 666 . 1 1 60 60 ARG CA C 13 54.300 0.5 . 1 . . . . 212 ARG CA . 15734 1 667 . 1 1 60 60 ARG CB C 13 32.400 0.5 . 1 . . . . 212 ARG CB . 15734 1 668 . 1 1 60 60 ARG CD C 13 43.200 0.5 . 1 . . . . 212 ARG CD . 15734 1 669 . 1 1 60 60 ARG CG C 13 28.200 0.5 . 1 . . . . 212 ARG CG . 15734 1 670 . 1 1 60 60 ARG N N 15 127.148 0.5 . 1 . . . . 212 ARG N . 15734 1 671 . 1 1 61 61 LEU H H 1 9.360 0.05 . 1 . . . . 213 LEU HN . 15734 1 672 . 1 1 61 61 LEU HA H 1 4.852 0.05 . 1 . . . . 213 LEU HA . 15734 1 673 . 1 1 61 61 LEU HB2 H 1 1.572 0.05 . 2 . . . . 213 LEU HB1 . 15734 1 674 . 1 1 61 61 LEU HB3 H 1 1.522 0.05 . 2 . . . . 213 LEU HB2 . 15734 1 675 . 1 1 61 61 LEU HD11 H 1 0.492 0.05 . 2 . . . . 213 LEU HD11 . 15734 1 676 . 1 1 61 61 LEU HD12 H 1 0.492 0.05 . 2 . . . . 213 LEU HD11 . 15734 1 677 . 1 1 61 61 LEU HD13 H 1 0.492 0.05 . 2 . . . . 213 LEU HD11 . 15734 1 678 . 1 1 61 61 LEU HD21 H 1 0.732 0.05 . 2 . . . . 213 LEU HD21 . 15734 1 679 . 1 1 61 61 LEU HD22 H 1 0.732 0.05 . 2 . . . . 213 LEU HD21 . 15734 1 680 . 1 1 61 61 LEU HD23 H 1 0.732 0.05 . 2 . . . . 213 LEU HD21 . 15734 1 681 . 1 1 61 61 LEU HG H 1 1.420 0.05 . 1 . . . . 213 LEU HG . 15734 1 682 . 1 1 61 61 LEU CA C 13 52.931 0.5 . 1 . . . . 213 LEU CA . 15734 1 683 . 1 1 61 61 LEU CB C 13 45.437 0.5 . 1 . . . . 213 LEU CB . 15734 1 684 . 1 1 61 61 LEU CD1 C 13 27.500 0.5 . 1 . . . . 213 LEU CD1 . 15734 1 685 . 1 1 61 61 LEU CD2 C 13 23.300 0.5 . 1 . . . . 213 LEU CD2 . 15734 1 686 . 1 1 61 61 LEU CG C 13 27.100 0.5 . 1 . . . . 213 LEU CG . 15734 1 687 . 1 1 61 61 LEU N N 15 126.813 0.5 . 1 . . . . 213 LEU N . 15734 1 688 . 1 1 62 62 GLU H H 1 8.230 0.05 . 1 . . . . 214 GLU HN . 15734 1 689 . 1 1 62 62 GLU HA H 1 4.462 0.05 . 1 . . . . 214 GLU HA . 15734 1 690 . 1 1 62 62 GLU HB2 H 1 1.872 0.05 . 2 . . . . 214 GLU HB1 . 15734 1 691 . 1 1 62 62 GLU HB3 H 1 2.162 0.05 . 2 . . . . 214 GLU HB2 . 15734 1 692 . 1 1 62 62 GLU HG2 H 1 2.440 0.05 . 2 . . . . 214 GLU HG1 . 15734 1 693 . 1 1 62 62 GLU HG3 H 1 2.450 0.05 . 2 . . . . 214 GLU HG2 . 15734 1 694 . 1 1 62 62 GLU C C 13 175.600 0.5 . 1 . . . . 214 GLU C . 15734 1 695 . 1 1 62 62 GLU CA C 13 55.903 0.5 . 1 . . . . 214 GLU CA . 15734 1 696 . 1 1 62 62 GLU CB C 13 30.679 0.5 . 1 . . . . 214 GLU CB . 15734 1 697 . 1 1 62 62 GLU CG C 13 36.700 0.5 . 1 . . . . 214 GLU CG . 15734 1 698 . 1 1 62 62 GLU N N 15 119.400 0.5 . 1 . . . . 214 GLU N . 15734 1 699 . 1 1 63 63 TRP H H 1 8.610 0.05 . 1 . . . . 215 TRP HN . 15734 1 700 . 1 1 63 63 TRP HA H 1 4.112 0.05 . 1 . . . . 215 TRP HA . 15734 1 701 . 1 1 63 63 TRP HB2 H 1 3.042 0.05 . 2 . . . . 215 TRP HB1 . 15734 1 702 . 1 1 63 63 TRP HB3 H 1 3.442 0.05 . 2 . . . . 215 TRP HB2 . 15734 1 703 . 1 1 63 63 TRP HD1 H 1 7.240 0.05 . 1 . . . . 215 TRP HD1 . 15734 1 704 . 1 1 63 63 TRP HE1 H 1 10.210 0.05 . 3 . . . . 215 TRP HE1 . 15734 1 705 . 1 1 63 63 TRP HH2 H 1 7.080 0.05 . 1 . . . . 215 TRP HH2 . 15734 1 706 . 1 1 63 63 TRP HZ2 H 1 7.470 0.05 . 3 . . . . 215 TRP HZ2 . 15734 1 707 . 1 1 63 63 TRP C C 13 176.700 0.5 . 1 . . . . 215 TRP C . 15734 1 708 . 1 1 63 63 TRP CA C 13 57.904 0.5 . 1 . . . . 215 TRP CA . 15734 1 709 . 1 1 63 63 TRP CB C 13 29.900 0.5 . 1 . . . . 215 TRP CB . 15734 1 710 . 1 1 63 63 TRP CD1 C 13 128.000 0.5 . 3 . . . . 215 TRP CD1 . 15734 1 711 . 1 1 63 63 TRP CH2 C 13 124.800 0.5 . 1 . . . . 215 TRP CH2 . 15734 1 712 . 1 1 63 63 TRP CZ2 C 13 114.700 0.5 . 3 . . . . 215 TRP CZ2 . 15734 1 713 . 1 1 63 63 TRP N N 15 120.295 0.5 . 1 . . . . 215 TRP N . 15734 1 714 . 1 1 63 63 TRP NE1 N 15 129.000 0.5 . 1 . . . . 215 TRP NE1 . 15734 1 715 . 1 1 64 64 ASN H H 1 7.960 0.05 . 1 . . . . 216 ASN HN . 15734 1 716 . 1 1 64 64 ASN HA H 1 3.572 0.05 . 1 . . . . 216 ASN HA . 15734 1 717 . 1 1 64 64 ASN HB2 H 1 2.402 0.05 . 2 . . . . 216 ASN HB1 . 15734 1 718 . 1 1 64 64 ASN HB3 H 1 2.952 0.05 . 2 . . . . 216 ASN HB2 . 15734 1 719 . 1 1 64 64 ASN C C 13 173.800 0.5 . 1 . . . . 216 ASN C . 15734 1 720 . 1 1 64 64 ASN CA C 13 53.825 0.5 . 1 . . . . 216 ASN CA . 15734 1 721 . 1 1 64 64 ASN CB C 13 38.600 0.5 . 1 . . . . 216 ASN CB . 15734 1 722 . 1 1 64 64 ASN N N 15 117.854 0.5 . 1 . . . . 216 ASN N . 15734 1 723 . 1 1 65 65 LYS H H 1 7.290 0.05 . 1 . . . . 217 LYS HN . 15734 1 724 . 1 1 65 65 LYS HA H 1 4.552 0.05 . 1 . . . . 217 LYS HA . 15734 1 725 . 1 1 65 65 LYS HB2 H 1 1.672 0.05 . 2 . . . . 217 LYS HB1 . 15734 1 726 . 1 1 65 65 LYS HB3 H 1 1.762 0.05 . 2 . . . . 217 LYS HB2 . 15734 1 727 . 1 1 65 65 LYS HD2 H 1 1.662 0.05 . 2 . . . . 217 LYS HD1 . 15734 1 728 . 1 1 65 65 LYS HD3 H 1 1.672 0.05 . 2 . . . . 217 LYS HD2 . 15734 1 729 . 1 1 65 65 LYS HE2 H 1 2.872 0.05 . 2 . . . . 217 LYS HE1 . 15734 1 730 . 1 1 65 65 LYS HE3 H 1 2.872 0.05 . 2 . . . . 217 LYS HE2 . 15734 1 731 . 1 1 65 65 LYS HG2 H 1 1.280 0.05 . 2 . . . . 217 LYS HG1 . 15734 1 732 . 1 1 65 65 LYS HG3 H 1 1.360 0.05 . 2 . . . . 217 LYS HG2 . 15734 1 733 . 1 1 65 65 LYS C C 13 177.400 0.5 . 1 . . . . 217 LYS C . 15734 1 734 . 1 1 65 65 LYS CA C 13 55.673 0.5 . 1 . . . . 217 LYS CA . 15734 1 735 . 1 1 65 65 LYS CB C 13 34.453 0.5 . 1 . . . . 217 LYS CB . 15734 1 736 . 1 1 65 65 LYS CD C 13 29.500 0.5 . 1 . . . . 217 LYS CD . 15734 1 737 . 1 1 65 65 LYS CE C 13 42.100 0.5 . 1 . . . . 217 LYS CE . 15734 1 738 . 1 1 65 65 LYS CG C 13 25.500 0.5 . 1 . . . . 217 LYS CG . 15734 1 739 . 1 1 65 65 LYS N N 15 118.427 0.5 . 1 . . . . 217 LYS N . 15734 1 740 . 1 1 66 66 GLY H H 1 8.630 0.05 . 1 . . . . 218 GLY HN . 15734 1 741 . 1 1 66 66 GLY HA2 H 1 4.172 0.05 . 2 . . . . 218 GLY HA1 . 15734 1 742 . 1 1 66 66 GLY HA3 H 1 4.612 0.05 . 2 . . . . 218 GLY HA2 . 15734 1 743 . 1 1 66 66 GLY C C 13 174.600 0.5 . 1 . . . . 218 GLY C . 15734 1 744 . 1 1 66 66 GLY CA C 13 45.827 0.5 . 1 . . . . 218 GLY CA . 15734 1 745 . 1 1 66 66 GLY N N 15 111.921 0.5 . 1 . . . . 218 GLY N . 15734 1 746 . 1 1 67 67 ILE H H 1 10.210 0.05 . 1 . . . . 219 ILE HN . 15734 1 747 . 1 1 67 67 ILE HA H 1 3.542 0.05 . 1 . . . . 219 ILE HA . 15734 1 748 . 1 1 67 67 ILE HB H 1 2.682 0.05 . 1 . . . . 219 ILE HB . 15734 1 749 . 1 1 67 67 ILE HD11 H 1 0.832 0.05 . 1 . . . . 219 ILE HD11 . 15734 1 750 . 1 1 67 67 ILE HD12 H 1 0.832 0.05 . 1 . . . . 219 ILE HD11 . 15734 1 751 . 1 1 67 67 ILE HD13 H 1 0.832 0.05 . 1 . . . . 219 ILE HD11 . 15734 1 752 . 1 1 67 67 ILE HG12 H 1 1.040 0.05 . 1 . . . . 219 ILE HG11 . 15734 1 753 . 1 1 67 67 ILE HG13 H 1 1.400 0.05 . 1 . . . . 219 ILE HG12 . 15734 1 754 . 1 1 67 67 ILE HG21 H 1 0.710 0.05 . 2 . . . . 219 ILE HG21 . 15734 1 755 . 1 1 67 67 ILE HG22 H 1 0.710 0.05 . 2 . . . . 219 ILE HG21 . 15734 1 756 . 1 1 67 67 ILE HG23 H 1 0.710 0.05 . 2 . . . . 219 ILE HG21 . 15734 1 757 . 1 1 67 67 ILE C C 13 179.400 0.5 . 1 . . . . 219 ILE C . 15734 1 758 . 1 1 67 67 ILE CA C 13 64.063 0.5 . 1 . . . . 219 ILE CA . 15734 1 759 . 1 1 67 67 ILE CB C 13 34.732 0.5 . 1 . . . . 219 ILE CB . 15734 1 760 . 1 1 67 67 ILE CD1 C 13 17.700 0.5 . 1 . . . . 219 ILE CD1 . 15734 1 761 . 1 1 67 67 ILE CG1 C 13 29.200 0.5 . 2 . . . . 219 ILE CG1 . 15734 1 762 . 1 1 67 67 ILE CG2 C 13 11.300 0.5 . 1 . . . . 219 ILE CG2 . 15734 1 763 . 1 1 67 67 ILE N N 15 125.645 0.5 . 1 . . . . 219 ILE N . 15734 1 764 . 1 1 68 68 VAL H H 1 9.550 0.05 . 1 . . . . 220 VAL HN . 15734 1 765 . 1 1 68 68 VAL HA H 1 3.782 0.05 . 1 . . . . 220 VAL HA . 15734 1 766 . 1 1 68 68 VAL HB H 1 1.962 0.05 . 1 . . . . 220 VAL HB . 15734 1 767 . 1 1 68 68 VAL HG11 H 1 0.440 0.05 . 2 . . . . 220 VAL HG11 . 15734 1 768 . 1 1 68 68 VAL HG12 H 1 0.440 0.05 . 2 . . . . 220 VAL HG11 . 15734 1 769 . 1 1 68 68 VAL HG13 H 1 0.440 0.05 . 2 . . . . 220 VAL HG11 . 15734 1 770 . 1 1 68 68 VAL HG21 H 1 0.650 0.05 . 2 . . . . 220 VAL HG21 . 15734 1 771 . 1 1 68 68 VAL HG22 H 1 0.650 0.05 . 2 . . . . 220 VAL HG21 . 15734 1 772 . 1 1 68 68 VAL HG23 H 1 0.650 0.05 . 2 . . . . 220 VAL HG21 . 15734 1 773 . 1 1 68 68 VAL C C 13 175.700 0.5 . 1 . . . . 220 VAL C . 15734 1 774 . 1 1 68 68 VAL CA C 13 64.400 0.5 . 1 . . . . 220 VAL CA . 15734 1 775 . 1 1 68 68 VAL CB C 13 30.300 0.5 . 1 . . . . 220 VAL CB . 15734 1 776 . 1 1 68 68 VAL CG1 C 13 21.300 0.5 . 1 . . . . 220 VAL CG1 . 15734 1 777 . 1 1 68 68 VAL CG2 C 13 21.100 0.5 . 1 . . . . 220 VAL CG2 . 15734 1 778 . 1 1 68 68 VAL N N 15 119.149 0.5 . 1 . . . . 220 VAL N . 15734 1 779 . 1 1 69 69 GLY H H 1 6.800 0.05 . 1 . . . . 221 GLY HN . 15734 1 780 . 1 1 69 69 GLY HA2 H 1 3.412 0.05 . 2 . . . . 221 GLY HA1 . 15734 1 781 . 1 1 69 69 GLY HA3 H 1 3.502 0.05 . 2 . . . . 221 GLY HA2 . 15734 1 782 . 1 1 69 69 GLY C C 13 176.700 0.5 . 1 . . . . 221 GLY C . 15734 1 783 . 1 1 69 69 GLY CA C 13 45.653 0.5 . 1 . . . . 221 GLY CA . 15734 1 784 . 1 1 69 69 GLY N N 15 108.008 0.5 . 1 . . . . 221 GLY N . 15734 1 785 . 1 1 70 70 HIS H H 1 8.100 0.05 . 1 . . . . 222 HIS HN . 15734 1 786 . 1 1 70 70 HIS HA H 1 4.162 0.05 . 1 . . . . 222 HIS HA . 15734 1 787 . 1 1 70 70 HIS HB2 H 1 3.142 0.05 . 2 . . . . 222 HIS HB1 . 15734 1 788 . 1 1 70 70 HIS HB3 H 1 3.252 0.05 . 2 . . . . 222 HIS HB2 . 15734 1 789 . 1 1 70 70 HIS C C 13 177.700 0.5 . 1 . . . . 222 HIS C . 15734 1 790 . 1 1 70 70 HIS CA C 13 60.762 0.5 . 1 . . . . 222 HIS CA . 15734 1 791 . 1 1 70 70 HIS CB C 13 30.600 0.5 . 1 . . . . 222 HIS CB . 15734 1 792 . 1 1 70 70 HIS N N 15 124.828 0.5 . 1 . . . . 222 HIS N . 15734 1 793 . 1 1 71 71 VAL H H 1 8.220 0.05 . 1 . . . . 223 VAL HN . 15734 1 794 . 1 1 71 71 VAL HA H 1 3.922 0.05 . 1 . . . . 223 VAL HA . 15734 1 795 . 1 1 71 71 VAL HB H 1 2.032 0.05 . 1 . . . . 223 VAL HB . 15734 1 796 . 1 1 71 71 VAL HG11 H 1 0.740 0.05 . 2 . . . . 223 VAL HG11 . 15734 1 797 . 1 1 71 71 VAL HG12 H 1 0.740 0.05 . 2 . . . . 223 VAL HG11 . 15734 1 798 . 1 1 71 71 VAL HG13 H 1 0.740 0.05 . 2 . . . . 223 VAL HG11 . 15734 1 799 . 1 1 71 71 VAL HG21 H 1 1.280 0.05 . 2 . . . . 223 VAL HG21 . 15734 1 800 . 1 1 71 71 VAL HG22 H 1 1.280 0.05 . 2 . . . . 223 VAL HG21 . 15734 1 801 . 1 1 71 71 VAL HG23 H 1 1.280 0.05 . 2 . . . . 223 VAL HG21 . 15734 1 802 . 1 1 71 71 VAL C C 13 178.700 0.5 . 1 . . . . 223 VAL C . 15734 1 803 . 1 1 71 71 VAL CA C 13 66.642 0.5 . 1 . . . . 223 VAL CA . 15734 1 804 . 1 1 71 71 VAL CB C 13 31.400 0.5 . 1 . . . . 223 VAL CB . 15734 1 805 . 1 1 71 71 VAL CG1 C 13 21.700 0.5 . 1 . . . . 223 VAL CG1 . 15734 1 806 . 1 1 71 71 VAL CG2 C 13 23.600 0.5 . 1 . . . . 223 VAL CG2 . 15734 1 807 . 1 1 71 71 VAL N N 15 119.918 0.5 . 1 . . . . 223 VAL N . 15734 1 808 . 1 1 72 72 ALA H H 1 7.930 0.05 . 1 . . . . 224 ALA HN . 15734 1 809 . 1 1 72 72 ALA HA H 1 3.842 0.05 . 1 . . . . 224 ALA HA . 15734 1 810 . 1 1 72 72 ALA HB1 H 1 1.072 0.05 . 1 . . . . 224 ALA HB1 . 15734 1 811 . 1 1 72 72 ALA HB2 H 1 1.072 0.05 . 1 . . . . 224 ALA HB1 . 15734 1 812 . 1 1 72 72 ALA HB3 H 1 1.072 0.05 . 1 . . . . 224 ALA HB1 . 15734 1 813 . 1 1 72 72 ALA C C 13 177.000 0.5 . 1 . . . . 224 ALA C . 15734 1 814 . 1 1 72 72 ALA CA C 13 54.500 0.5 . 1 . . . . 224 ALA CA . 15734 1 815 . 1 1 72 72 ALA CB C 13 18.500 0.5 . 1 . . . . 224 ALA CB . 15734 1 816 . 1 1 72 72 ALA N N 15 119.493 0.5 . 1 . . . . 224 ALA N . 15734 1 817 . 1 1 73 73 ALA H H 1 7.230 0.05 . 1 . . . . 225 ALA HN . 15734 1 818 . 1 1 73 73 ALA HA H 1 4.052 0.05 . 1 . . . . 225 ALA HA . 15734 1 819 . 1 1 73 73 ALA HB1 H 1 0.692 0.05 . 1 . . . . 225 ALA HB1 . 15734 1 820 . 1 1 73 73 ALA HB2 H 1 0.692 0.05 . 1 . . . . 225 ALA HB1 . 15734 1 821 . 1 1 73 73 ALA HB3 H 1 0.692 0.05 . 1 . . . . 225 ALA HB1 . 15734 1 822 . 1 1 73 73 ALA CA C 13 53.784 0.5 . 1 . . . . 225 ALA CA . 15734 1 823 . 1 1 73 73 ALA CB C 13 18.600 0.5 . 1 . . . . 225 ALA CB . 15734 1 824 . 1 1 73 73 ALA N N 15 114.925 0.5 . 1 . . . . 225 ALA N . 15734 1 825 . 1 1 74 74 PHE H H 1 8.190 0.05 . 1 . . . . 226 PHE HN . 15734 1 826 . 1 1 74 74 PHE HA H 1 4.602 0.05 . 1 . . . . 226 PHE HA . 15734 1 827 . 1 1 74 74 PHE HB2 H 1 2.802 0.05 . 2 . . . . 226 PHE HB1 . 15734 1 828 . 1 1 74 74 PHE HB3 H 1 3.162 0.05 . 2 . . . . 226 PHE HB2 . 15734 1 829 . 1 1 74 74 PHE HD1 H 1 7.060 0.05 . 3 . . . . 226 PHE HD1 . 15734 1 830 . 1 1 74 74 PHE HE1 H 1 7.280 0.05 . 3 . . . . 226 PHE HE1 . 15734 1 831 . 1 1 74 74 PHE C C 13 178.000 0.5 . 1 . . . . 226 PHE C . 15734 1 832 . 1 1 74 74 PHE CA C 13 58.582 0.5 . 1 . . . . 226 PHE CA . 15734 1 833 . 1 1 74 74 PHE CB C 13 39.354 0.5 . 1 . . . . 226 PHE CB . 15734 1 834 . 1 1 74 74 PHE CD1 C 13 131.900 0.5 . 3 . . . . 226 PHE CD1 . 15734 1 835 . 1 1 74 74 PHE CE1 C 13 131.400 0.5 . 3 . . . . 226 PHE CE1 . 15734 1 836 . 1 1 74 74 PHE N N 15 113.595 0.5 . 1 . . . . 226 PHE N . 15734 1 837 . 1 1 75 75 GLY H H 1 8.490 0.05 . 1 . . . . 227 GLY HN . 15734 1 838 . 1 1 75 75 GLY HA2 H 1 3.592 0.05 . 2 . . . . 227 GLY HA1 . 15734 1 839 . 1 1 75 75 GLY HA3 H 1 4.002 0.05 . 2 . . . . 227 GLY HA2 . 15734 1 840 . 1 1 75 75 GLY C C 13 172.500 0.5 . 1 . . . . 227 GLY C . 15734 1 841 . 1 1 75 75 GLY CA C 13 46.859 0.5 . 1 . . . . 227 GLY CA . 15734 1 842 . 1 1 75 75 GLY N N 15 108.034 0.5 . 1 . . . . 227 GLY N . 15734 1 843 . 1 1 76 76 GLU H H 1 7.180 0.05 . 1 . . . . 228 GLU HN . 15734 1 844 . 1 1 76 76 GLU HA H 1 5.099 0.05 . 1 . . . . 228 GLU HA . 15734 1 845 . 1 1 76 76 GLU HB2 H 1 1.842 0.05 . 2 . . . . 228 GLU HB1 . 15734 1 846 . 1 1 76 76 GLU HB3 H 1 2.142 0.05 . 2 . . . . 228 GLU HB2 . 15734 1 847 . 1 1 76 76 GLU HG2 H 1 2.250 0.05 . 2 . . . . 228 GLU HG1 . 15734 1 848 . 1 1 76 76 GLU HG3 H 1 2.350 0.05 . 2 . . . . 228 GLU HG2 . 15734 1 849 . 1 1 76 76 GLU CA C 13 52.100 0.5 . 1 . . . . 228 GLU CA . 15734 1 850 . 1 1 76 76 GLU CB C 13 31.454 0.5 . 1 . . . . 228 GLU CB . 15734 1 851 . 1 1 76 76 GLU CG C 13 35.300 0.5 . 1 . . . . 228 GLU CG . 15734 1 852 . 1 1 76 76 GLU N N 15 117.487 0.5 . 1 . . . . 228 GLU N . 15734 1 853 . 1 1 77 77 PRO HA H 1 4.912 0.05 . 1 . . . . 229 PRO HA . 15734 1 854 . 1 1 77 77 PRO HB2 H 1 2.072 0.05 . 2 . . . . 229 PRO HB1 . 15734 1 855 . 1 1 77 77 PRO HB3 H 1 2.502 0.05 . 2 . . . . 229 PRO HB2 . 15734 1 856 . 1 1 77 77 PRO HD2 H 1 3.832 0.05 . 2 . . . . 229 PRO HD1 . 15734 1 857 . 1 1 77 77 PRO HD3 H 1 3.942 0.05 . 2 . . . . 229 PRO HD2 . 15734 1 858 . 1 1 77 77 PRO HG2 H 1 2.270 0.05 . 2 . . . . 229 PRO HG1 . 15734 1 859 . 1 1 77 77 PRO HG3 H 1 2.130 0.05 . 2 . . . . 229 PRO HG2 . 15734 1 860 . 1 1 77 77 PRO C C 13 175.700 0.5 . 1 . . . . 229 PRO C . 15734 1 861 . 1 1 77 77 PRO CA C 13 62.400 0.5 . 1 . . . . 229 PRO CA . 15734 1 862 . 1 1 77 77 PRO CB C 13 34.200 0.5 . 1 . . . . 229 PRO CB . 15734 1 863 . 1 1 77 77 PRO CD C 13 50.900 0.5 . 1 . . . . 229 PRO CD . 15734 1 864 . 1 1 77 77 PRO CG C 13 27.600 0.5 . 1 . . . . 229 PRO CG . 15734 1 865 . 1 1 78 78 LEU H H 1 8.570 0.05 . 1 . . . . 230 LEU HN . 15734 1 866 . 1 1 78 78 LEU HA H 1 4.762 0.05 . 1 . . . . 230 LEU HA . 15734 1 867 . 1 1 78 78 LEU HB2 H 1 1.222 0.05 . 2 . . . . 230 LEU HB1 . 15734 1 868 . 1 1 78 78 LEU HB3 H 1 1.372 0.05 . 2 . . . . 230 LEU HB2 . 15734 1 869 . 1 1 78 78 LEU HD11 H 1 0.802 0.05 . 2 . . . . 230 LEU HD11 . 15734 1 870 . 1 1 78 78 LEU HD12 H 1 0.802 0.05 . 2 . . . . 230 LEU HD11 . 15734 1 871 . 1 1 78 78 LEU HD13 H 1 0.802 0.05 . 2 . . . . 230 LEU HD11 . 15734 1 872 . 1 1 78 78 LEU HD21 H 1 0.922 0.05 . 2 . . . . 230 LEU HD21 . 15734 1 873 . 1 1 78 78 LEU HD22 H 1 0.922 0.05 . 2 . . . . 230 LEU HD21 . 15734 1 874 . 1 1 78 78 LEU HD23 H 1 0.922 0.05 . 2 . . . . 230 LEU HD21 . 15734 1 875 . 1 1 78 78 LEU HG H 1 1.680 0.05 . 1 . . . . 230 LEU HG . 15734 1 876 . 1 1 78 78 LEU C C 13 174.100 0.5 . 1 . . . . 230 LEU C . 15734 1 877 . 1 1 78 78 LEU CA C 13 54.117 0.5 . 1 . . . . 230 LEU CA . 15734 1 878 . 1 1 78 78 LEU CB C 13 47.138 0.5 . 1 . . . . 230 LEU CB . 15734 1 879 . 1 1 78 78 LEU CD1 C 13 26.100 0.5 . 1 . . . . 230 LEU CD1 . 15734 1 880 . 1 1 78 78 LEU CD2 C 13 23.700 0.5 . 1 . . . . 230 LEU CD2 . 15734 1 881 . 1 1 78 78 LEU CG C 13 27.000 0.5 . 1 . . . . 230 LEU CG . 15734 1 882 . 1 1 78 78 LEU N N 15 118.034 0.5 . 1 . . . . 230 LEU N . 15734 1 883 . 1 1 79 79 ASN H H 1 8.380 0.05 . 1 . . . . 231 ASN HN . 15734 1 884 . 1 1 79 79 ASN HA H 1 5.172 0.05 . 1 . . . . 231 ASN HA . 15734 1 885 . 1 1 79 79 ASN HB2 H 1 2.452 0.05 . 2 . . . . 231 ASN HB1 . 15734 1 886 . 1 1 79 79 ASN HB3 H 1 3.112 0.05 . 2 . . . . 231 ASN HB2 . 15734 1 887 . 1 1 79 79 ASN C C 13 174.800 0.5 . 1 . . . . 231 ASN C . 15734 1 888 . 1 1 79 79 ASN CA C 13 51.901 0.5 . 1 . . . . 231 ASN CA . 15734 1 889 . 1 1 79 79 ASN CB C 13 39.000 0.5 . 1 . . . . 231 ASN CB . 15734 1 890 . 1 1 79 79 ASN N N 15 121.187 0.5 . 1 . . . . 231 ASN N . 15734 1 891 . 1 1 80 80 ILE H H 1 9.600 0.05 . 1 . . . . 232 ILE HN . 15734 1 892 . 1 1 80 80 ILE HA H 1 4.462 0.05 . 1 . . . . 232 ILE HA . 15734 1 893 . 1 1 80 80 ILE HB H 1 2.192 0.05 . 1 . . . . 232 ILE HB . 15734 1 894 . 1 1 80 80 ILE HD11 H 1 0.832 0.05 . 1 . . . . 232 ILE HD11 . 15734 1 895 . 1 1 80 80 ILE HD12 H 1 0.832 0.05 . 1 . . . . 232 ILE HD11 . 15734 1 896 . 1 1 80 80 ILE HD13 H 1 0.832 0.05 . 1 . . . . 232 ILE HD11 . 15734 1 897 . 1 1 80 80 ILE HG12 H 1 1.480 0.05 . 1 . . . . 232 ILE HG12 . 15734 1 898 . 1 1 80 80 ILE HG21 H 1 0.750 0.05 . 2 . . . . 232 ILE HG21 . 15734 1 899 . 1 1 80 80 ILE HG22 H 1 0.750 0.05 . 2 . . . . 232 ILE HG21 . 15734 1 900 . 1 1 80 80 ILE HG23 H 1 0.750 0.05 . 2 . . . . 232 ILE HG21 . 15734 1 901 . 1 1 80 80 ILE C C 13 177.300 0.5 . 1 . . . . 232 ILE C . 15734 1 902 . 1 1 80 80 ILE CA C 13 57.707 0.5 . 1 . . . . 232 ILE CA . 15734 1 903 . 1 1 80 80 ILE CB C 13 38.564 0.5 . 1 . . . . 232 ILE CB . 15734 1 904 . 1 1 80 80 ILE CD1 C 13 16.900 0.5 . 1 . . . . 232 ILE CD1 . 15734 1 905 . 1 1 80 80 ILE CG1 C 13 26.800 0.5 . 2 . . . . 232 ILE CG1 . 15734 1 906 . 1 1 80 80 ILE CG2 C 13 10.900 0.5 . 1 . . . . 232 ILE CG2 . 15734 1 907 . 1 1 80 80 ILE N N 15 124.790 0.5 . 1 . . . . 232 ILE N . 15734 1 908 . 1 1 81 81 LYS H H 1 8.970 0.05 . 1 . . . . 233 LYS HN . 15734 1 909 . 1 1 81 81 LYS HA H 1 4.222 0.05 . 1 . . . . 233 LYS HA . 15734 1 910 . 1 1 81 81 LYS HB2 H 1 1.882 0.05 . 2 . . . . 233 LYS HB1 . 15734 1 911 . 1 1 81 81 LYS HB3 H 1 1.882 0.05 . 2 . . . . 233 LYS HB2 . 15734 1 912 . 1 1 81 81 LYS HD2 H 1 1.752 0.05 . 2 . . . . 233 LYS HD1 . 15734 1 913 . 1 1 81 81 LYS HD3 H 1 1.752 0.05 . 2 . . . . 233 LYS HD2 . 15734 1 914 . 1 1 81 81 LYS HE2 H 1 3.042 0.05 . 2 . . . . 233 LYS HE1 . 15734 1 915 . 1 1 81 81 LYS HE3 H 1 3.042 0.05 . 2 . . . . 233 LYS HE2 . 15734 1 916 . 1 1 81 81 LYS HG2 H 1 1.450 0.05 . 2 . . . . 233 LYS HG1 . 15734 1 917 . 1 1 81 81 LYS HG3 H 1 1.590 0.05 . 2 . . . . 233 LYS HG2 . 15734 1 918 . 1 1 81 81 LYS C C 13 175.300 0.5 . 1 . . . . 233 LYS C . 15734 1 919 . 1 1 81 81 LYS CA C 13 59.247 0.5 . 1 . . . . 233 LYS CA . 15734 1 920 . 1 1 81 81 LYS CB C 13 33.247 0.5 . 1 . . . . 233 LYS CB . 15734 1 921 . 1 1 81 81 LYS CD C 13 29.500 0.5 . 1 . . . . 233 LYS CD . 15734 1 922 . 1 1 81 81 LYS CE C 13 42.200 0.5 . 1 . . . . 233 LYS CE . 15734 1 923 . 1 1 81 81 LYS CG C 13 25.500 0.5 . 1 . . . . 233 LYS CG . 15734 1 924 . 1 1 81 81 LYS N N 15 129.950 0.5 . 1 . . . . 233 LYS N . 15734 1 925 . 1 1 82 82 ASP H H 1 7.350 0.05 . 1 . . . . 234 ASP HN . 15734 1 926 . 1 1 82 82 ASP HA H 1 4.732 0.05 . 1 . . . . 234 ASP HA . 15734 1 927 . 1 1 82 82 ASP HB2 H 1 2.342 0.05 . 2 . . . . 234 ASP HB1 . 15734 1 928 . 1 1 82 82 ASP HB3 H 1 2.692 0.05 . 2 . . . . 234 ASP HB2 . 15734 1 929 . 1 1 82 82 ASP C C 13 177.000 0.5 . 1 . . . . 234 ASP C . 15734 1 930 . 1 1 82 82 ASP CA C 13 52.626 0.5 . 1 . . . . 234 ASP CA . 15734 1 931 . 1 1 82 82 ASP CB C 13 41.620 0.5 . 1 . . . . 234 ASP CB . 15734 1 932 . 1 1 82 82 ASP N N 15 115.001 0.5 . 1 . . . . 234 ASP N . 15734 1 933 . 1 1 83 83 ALA H H 1 9.490 0.05 . 1 . . . . 235 ALA HN . 15734 1 934 . 1 1 83 83 ALA HA H 1 3.342 0.05 . 1 . . . . 235 ALA HA . 15734 1 935 . 1 1 83 83 ALA HB1 H 1 0.242 0.05 . 1 . . . . 235 ALA HB1 . 15734 1 936 . 1 1 83 83 ALA HB2 H 1 0.242 0.05 . 1 . . . . 235 ALA HB1 . 15734 1 937 . 1 1 83 83 ALA HB3 H 1 0.242 0.05 . 1 . . . . 235 ALA HB1 . 15734 1 938 . 1 1 83 83 ALA C C 13 177.300 0.5 . 1 . . . . 235 ALA C . 15734 1 939 . 1 1 83 83 ALA CA C 13 55.908 0.5 . 1 . . . . 235 ALA CA . 15734 1 940 . 1 1 83 83 ALA CB C 13 17.400 0.5 . 1 . . . . 235 ALA CB . 15734 1 941 . 1 1 83 83 ALA N N 15 130.800 0.5 . 1 . . . . 235 ALA N . 15734 1 942 . 1 1 84 84 TYR H H 1 7.850 0.05 . 1 . . . . 236 TYR HN . 15734 1 943 . 1 1 84 84 TYR HA H 1 3.952 0.05 . 1 . . . . 236 TYR HA . 15734 1 944 . 1 1 84 84 TYR HB2 H 1 3.102 0.05 . 2 . . . . 236 TYR HB1 . 15734 1 945 . 1 1 84 84 TYR HB3 H 1 3.112 0.05 . 2 . . . . 236 TYR HB2 . 15734 1 946 . 1 1 84 84 TYR HD1 H 1 7.140 0.05 . 3 . . . . 236 TYR HD1 . 15734 1 947 . 1 1 84 84 TYR HE1 H 1 6.820 0.05 . 3 . . . . 236 TYR HE1 . 15734 1 948 . 1 1 84 84 TYR C C 13 177.800 0.5 . 1 . . . . 236 TYR C . 15734 1 949 . 1 1 84 84 TYR CA C 13 61.569 0.5 . 1 . . . . 236 TYR CA . 15734 1 950 . 1 1 84 84 TYR CB C 13 37.681 0.5 . 1 . . . . 236 TYR CB . 15734 1 951 . 1 1 84 84 TYR CD1 C 13 133.300 0.5 . 3 . . . . 236 TYR CD1 . 15734 1 952 . 1 1 84 84 TYR CE1 C 13 118.400 0.5 . 3 . . . . 236 TYR CE1 . 15734 1 953 . 1 1 84 84 TYR N N 15 110.281 0.5 . 1 . . . . 236 TYR N . 15734 1 954 . 1 1 85 85 GLU H H 1 7.470 0.05 . 1 . . . . 237 GLU HN . 15734 1 955 . 1 1 85 85 GLU HA H 1 4.482 0.05 . 1 . . . . 237 GLU HA . 15734 1 956 . 1 1 85 85 GLU HB2 H 1 1.842 0.05 . 2 . . . . 237 GLU HB1 . 15734 1 957 . 1 1 85 85 GLU HB3 H 1 2.332 0.05 . 2 . . . . 237 GLU HB2 . 15734 1 958 . 1 1 85 85 GLU HG2 H 1 2.180 0.05 . 2 . . . . 237 GLU HG1 . 15734 1 959 . 1 1 85 85 GLU HG3 H 1 2.310 0.05 . 2 . . . . 237 GLU HG2 . 15734 1 960 . 1 1 85 85 GLU C C 13 175.900 0.5 . 1 . . . . 237 GLU C . 15734 1 961 . 1 1 85 85 GLU CA C 13 55.581 0.5 . 1 . . . . 237 GLU CA . 15734 1 962 . 1 1 85 85 GLU CB C 13 30.800 0.5 . 1 . . . . 237 GLU CB . 15734 1 963 . 1 1 85 85 GLU CG C 13 36.100 0.5 . 1 . . . . 237 GLU CG . 15734 1 964 . 1 1 85 85 GLU N N 15 116.789 0.5 . 1 . . . . 237 GLU N . 15734 1 965 . 1 1 86 86 ASP H H 1 7.890 0.05 . 1 . . . . 238 ASP HN . 15734 1 966 . 1 1 86 86 ASP HA H 1 5.102 0.05 . 1 . . . . 238 ASP HA . 15734 1 967 . 1 1 86 86 ASP HB2 H 1 2.272 0.05 . 2 . . . . 238 ASP HB1 . 15734 1 968 . 1 1 86 86 ASP HB3 H 1 3.052 0.05 . 2 . . . . 238 ASP HB2 . 15734 1 969 . 1 1 86 86 ASP CA C 13 51.616 0.5 . 1 . . . . 238 ASP CA . 15734 1 970 . 1 1 86 86 ASP CB C 13 44.906 0.5 . 1 . . . . 238 ASP CB . 15734 1 971 . 1 1 86 86 ASP N N 15 124.058 0.5 . 1 . . . . 238 ASP N . 15734 1 972 . 1 1 87 87 PRO HA H 1 4.532 0.05 . 1 . . . . 239 PRO HA . 15734 1 973 . 1 1 87 87 PRO HB2 H 1 2.032 0.05 . 2 . . . . 239 PRO HB1 . 15734 1 974 . 1 1 87 87 PRO HB3 H 1 2.412 0.05 . 2 . . . . 239 PRO HB2 . 15734 1 975 . 1 1 87 87 PRO HD2 H 1 3.842 0.05 . 2 . . . . 239 PRO HD1 . 15734 1 976 . 1 1 87 87 PRO HD3 H 1 3.992 0.05 . 2 . . . . 239 PRO HD2 . 15734 1 977 . 1 1 87 87 PRO HG2 H 1 1.950 0.05 . 2 . . . . 239 PRO HG1 . 15734 1 978 . 1 1 87 87 PRO HG3 H 1 2.090 0.05 . 2 . . . . 239 PRO HG2 . 15734 1 979 . 1 1 87 87 PRO C C 13 177.400 0.5 . 1 . . . . 239 PRO C . 15734 1 980 . 1 1 87 87 PRO CA C 13 64.200 0.5 . 1 . . . . 239 PRO CA . 15734 1 981 . 1 1 87 87 PRO CB C 13 32.133 0.5 . 1 . . . . 239 PRO CB . 15734 1 982 . 1 1 87 87 PRO CD C 13 51.300 0.5 . 1 . . . . 239 PRO CD . 15734 1 983 . 1 1 87 87 PRO CG C 13 27.400 0.5 . 1 . . . . 239 PRO CG . 15734 1 984 . 1 1 88 88 ARG H H 1 9.110 0.05 . 1 . . . . 240 ARG HN . 15734 1 985 . 1 1 88 88 ARG HA H 1 4.122 0.05 . 1 . . . . 240 ARG HA . 15734 1 986 . 1 1 88 88 ARG C C 13 176.400 0.5 . 1 . . . . 240 ARG C . 15734 1 987 . 1 1 88 88 ARG CA C 13 56.348 0.5 . 1 . . . . 240 ARG CA . 15734 1 988 . 1 1 88 88 ARG CB C 13 30.619 0.5 . 1 . . . . 240 ARG CB . 15734 1 989 . 1 1 88 88 ARG CD C 13 42.900 0.5 . 1 . . . . 240 ARG CD . 15734 1 990 . 1 1 88 88 ARG CG C 13 25.200 0.5 . 1 . . . . 240 ARG CG . 15734 1 991 . 1 1 88 88 ARG N N 15 118.010 0.5 . 1 . . . . 240 ARG N . 15734 1 992 . 1 1 89 89 PHE H H 1 7.280 0.05 . 1 . . . . 241 PHE HN . 15734 1 993 . 1 1 89 89 PHE HA H 1 4.282 0.05 . 1 . . . . 241 PHE HA . 15734 1 994 . 1 1 89 89 PHE HB2 H 1 3.022 0.05 . 2 . . . . 241 PHE HB1 . 15734 1 995 . 1 1 89 89 PHE HB3 H 1 3.242 0.05 . 2 . . . . 241 PHE HB2 . 15734 1 996 . 1 1 89 89 PHE HD1 H 1 7.380 0.05 . 3 . . . . 241 PHE HD1 . 15734 1 997 . 1 1 89 89 PHE C C 13 174.800 0.5 . 1 . . . . 241 PHE C . 15734 1 998 . 1 1 89 89 PHE CA C 13 57.100 0.5 . 1 . . . . 241 PHE CA . 15734 1 999 . 1 1 89 89 PHE CB C 13 41.318 0.5 . 1 . . . . 241 PHE CB . 15734 1 1000 . 1 1 89 89 PHE CD1 C 13 131.500 0.5 . 3 . . . . 241 PHE CD1 . 15734 1 1001 . 1 1 89 89 PHE N N 15 117.771 0.5 . 1 . . . . 241 PHE N . 15734 1 1002 . 1 1 90 90 ASN H H 1 8.790 0.05 . 1 . . . . 242 ASN HN . 15734 1 1003 . 1 1 90 90 ASN HA H 1 4.622 0.05 . 1 . . . . 242 ASN HA . 15734 1 1004 . 1 1 90 90 ASN HB2 H 1 2.242 0.05 . 2 . . . . 242 ASN HB1 . 15734 1 1005 . 1 1 90 90 ASN HB3 H 1 3.362 0.05 . 2 . . . . 242 ASN HB2 . 15734 1 1006 . 1 1 90 90 ASN C C 13 172.900 0.5 . 1 . . . . 242 ASN C . 15734 1 1007 . 1 1 90 90 ASN CA C 13 50.758 0.5 . 1 . . . . 242 ASN CA . 15734 1 1008 . 1 1 90 90 ASN CB C 13 38.400 0.5 . 1 . . . . 242 ASN CB . 15734 1 1009 . 1 1 90 90 ASN N N 15 127.659 0.5 . 1 . . . . 242 ASN N . 15734 1 1010 . 1 1 91 91 ALA H H 1 7.820 0.05 . 1 . . . . 243 ALA HN . 15734 1 1011 . 1 1 91 91 ALA HA H 1 3.782 0.05 . 1 . . . . 243 ALA HA . 15734 1 1012 . 1 1 91 91 ALA HB1 H 1 1.362 0.05 . 1 . . . . 243 ALA HB1 . 15734 1 1013 . 1 1 91 91 ALA HB2 H 1 1.362 0.05 . 1 . . . . 243 ALA HB1 . 15734 1 1014 . 1 1 91 91 ALA HB3 H 1 1.362 0.05 . 1 . . . . 243 ALA HB1 . 15734 1 1015 . 1 1 91 91 ALA C C 13 177.600 0.5 . 1 . . . . 243 ALA C . 15734 1 1016 . 1 1 91 91 ALA CA C 13 52.800 0.5 . 1 . . . . 243 ALA CA . 15734 1 1017 . 1 1 91 91 ALA CB C 13 18.800 0.5 . 1 . . . . 243 ALA CB . 15734 1 1018 . 1 1 91 91 ALA N N 15 125.264 0.5 . 1 . . . . 243 ALA N . 15734 1 1019 . 1 1 92 92 GLU H H 1 7.610 0.05 . 1 . . . . 244 GLU HN . 15734 1 1020 . 1 1 92 92 GLU HA H 1 3.942 0.05 . 1 . . . . 244 GLU HA . 15734 1 1021 . 1 1 92 92 GLU HB2 H 1 2.012 0.05 . 2 . . . . 244 GLU HB1 . 15734 1 1022 . 1 1 92 92 GLU HB3 H 1 2.142 0.05 . 2 . . . . 244 GLU HB2 . 15734 1 1023 . 1 1 92 92 GLU HG2 H 1 2.280 0.05 . 2 . . . . 244 GLU HG1 . 15734 1 1024 . 1 1 92 92 GLU HG3 H 1 2.380 0.05 . 2 . . . . 244 GLU HG2 . 15734 1 1025 . 1 1 92 92 GLU C C 13 178.600 0.5 . 1 . . . . 244 GLU C . 15734 1 1026 . 1 1 92 92 GLU CA C 13 58.939 0.5 . 1 . . . . 244 GLU CA . 15734 1 1027 . 1 1 92 92 GLU CB C 13 30.200 0.5 . 1 . . . . 244 GLU CB . 15734 1 1028 . 1 1 92 92 GLU CG C 13 36.800 0.5 . 1 . . . . 244 GLU CG . 15734 1 1029 . 1 1 92 92 GLU N N 15 115.628 0.5 . 1 . . . . 244 GLU N . 15734 1 1030 . 1 1 93 93 VAL H H 1 6.620 0.05 . 1 . . . . 245 VAL HN . 15734 1 1031 . 1 1 93 93 VAL HA H 1 3.822 0.05 . 1 . . . . 245 VAL HA . 15734 1 1032 . 1 1 93 93 VAL HB H 1 2.582 0.05 . 1 . . . . 245 VAL HB . 15734 1 1033 . 1 1 93 93 VAL HG11 H 1 0.930 0.05 . 2 . . . . 245 VAL HG11 . 15734 1 1034 . 1 1 93 93 VAL HG12 H 1 0.930 0.05 . 2 . . . . 245 VAL HG11 . 15734 1 1035 . 1 1 93 93 VAL HG13 H 1 0.930 0.05 . 2 . . . . 245 VAL HG11 . 15734 1 1036 . 1 1 93 93 VAL HG21 H 1 1.270 0.05 . 2 . . . . 245 VAL HG21 . 15734 1 1037 . 1 1 93 93 VAL HG22 H 1 1.270 0.05 . 2 . . . . 245 VAL HG21 . 15734 1 1038 . 1 1 93 93 VAL HG23 H 1 1.270 0.05 . 2 . . . . 245 VAL HG21 . 15734 1 1039 . 1 1 93 93 VAL C C 13 178.200 0.5 . 1 . . . . 245 VAL C . 15734 1 1040 . 1 1 93 93 VAL CA C 13 67.200 0.5 . 1 . . . . 245 VAL CA . 15734 1 1041 . 1 1 93 93 VAL CB C 13 31.100 0.5 . 1 . . . . 245 VAL CB . 15734 1 1042 . 1 1 93 93 VAL CG1 C 13 23.500 0.5 . 1 . . . . 245 VAL CG1 . 15734 1 1043 . 1 1 93 93 VAL CG2 C 13 22.300 0.5 . 1 . . . . 245 VAL CG2 . 15734 1 1044 . 1 1 93 93 VAL N N 15 118.177 0.5 . 1 . . . . 245 VAL N . 15734 1 1045 . 1 1 94 94 ASP H H 1 9.660 0.05 . 1 . . . . 246 ASP HN . 15734 1 1046 . 1 1 94 94 ASP HA H 1 4.672 0.05 . 1 . . . . 246 ASP HA . 15734 1 1047 . 1 1 94 94 ASP HB2 H 1 3.132 0.05 . 2 . . . . 246 ASP HB1 . 15734 1 1048 . 1 1 94 94 ASP HB3 H 1 3.092 0.05 . 2 . . . . 246 ASP HB2 . 15734 1 1049 . 1 1 94 94 ASP C C 13 179.800 0.5 . 1 . . . . 246 ASP C . 15734 1 1050 . 1 1 94 94 ASP CA C 13 56.938 0.5 . 1 . . . . 246 ASP CA . 15734 1 1051 . 1 1 94 94 ASP CB C 13 40.489 0.5 . 1 . . . . 246 ASP CB . 15734 1 1052 . 1 1 94 94 ASP N N 15 124.605 0.5 . 1 . . . . 246 ASP N . 15734 1 1053 . 1 1 95 95 GLN H H 1 7.560 0.05 . 1 . . . . 247 GLN HN . 15734 1 1054 . 1 1 95 95 GLN HA H 1 4.162 0.05 . 1 . . . . 247 GLN HA . 15734 1 1055 . 1 1 95 95 GLN HB2 H 1 2.262 0.05 . 2 . . . . 247 GLN HB1 . 15734 1 1056 . 1 1 95 95 GLN HB3 H 1 2.332 0.05 . 2 . . . . 247 GLN HB2 . 15734 1 1057 . 1 1 95 95 GLN HG2 H 1 2.530 0.05 . 2 . . . . 247 GLN HG1 . 15734 1 1058 . 1 1 95 95 GLN HG3 H 1 2.640 0.05 . 2 . . . . 247 GLN HG2 . 15734 1 1059 . 1 1 95 95 GLN CA C 13 58.473 0.5 . 1 . . . . 247 GLN CA . 15734 1 1060 . 1 1 95 95 GLN CB C 13 28.400 0.5 . 1 . . . . 247 GLN CB . 15734 1 1061 . 1 1 95 95 GLN CG C 13 34.200 0.5 . 1 . . . . 247 GLN CG . 15734 1 1062 . 1 1 95 95 GLN N N 15 116.148 0.5 . 1 . . . . 247 GLN N . 15734 1 1063 . 1 1 96 96 ILE H H 1 7.870 0.05 . 1 . . . . 248 ILE HN . 15734 1 1064 . 1 1 96 96 ILE HA H 1 4.112 0.05 . 1 . . . . 248 ILE HA . 15734 1 1065 . 1 1 96 96 ILE HB H 1 2.192 0.05 . 1 . . . . 248 ILE HB . 15734 1 1066 . 1 1 96 96 ILE HD11 H 1 0.982 0.05 . 1 . . . . 248 ILE HD11 . 15734 1 1067 . 1 1 96 96 ILE HD12 H 1 0.982 0.05 . 1 . . . . 248 ILE HD11 . 15734 1 1068 . 1 1 96 96 ILE HD13 H 1 0.982 0.05 . 1 . . . . 248 ILE HD11 . 15734 1 1069 . 1 1 96 96 ILE HG12 H 1 1.290 0.05 . 1 . . . . 248 ILE HG11 . 15734 1 1070 . 1 1 96 96 ILE HG13 H 1 1.830 0.05 . 1 . . . . 248 ILE HG12 . 15734 1 1071 . 1 1 96 96 ILE HG21 H 1 0.890 0.05 . 2 . . . . 248 ILE HG21 . 15734 1 1072 . 1 1 96 96 ILE HG22 H 1 0.890 0.05 . 2 . . . . 248 ILE HG21 . 15734 1 1073 . 1 1 96 96 ILE HG23 H 1 0.890 0.05 . 2 . . . . 248 ILE HG21 . 15734 1 1074 . 1 1 96 96 ILE C C 13 178.700 0.5 . 1 . . . . 248 ILE C . 15734 1 1075 . 1 1 96 96 ILE CA C 13 63.500 0.5 . 1 . . . . 248 ILE CA . 15734 1 1076 . 1 1 96 96 ILE CB C 13 39.101 0.5 . 1 . . . . 248 ILE CB . 15734 1 1077 . 1 1 96 96 ILE CD1 C 13 17.200 0.5 . 1 . . . . 248 ILE CD1 . 15734 1 1078 . 1 1 96 96 ILE CG1 C 13 28.400 0.5 . 2 . . . . 248 ILE CG1 . 15734 1 1079 . 1 1 96 96 ILE CG2 C 13 13.500 0.5 . 1 . . . . 248 ILE CG2 . 15734 1 1080 . 1 1 96 96 ILE N N 15 118.806 0.5 . 1 . . . . 248 ILE N . 15734 1 1081 . 1 1 97 97 THR H H 1 9.210 0.05 . 1 . . . . 249 THR HN . 15734 1 1082 . 1 1 97 97 THR HA H 1 4.262 0.05 . 1 . . . . 249 THR HA . 15734 1 1083 . 1 1 97 97 THR HB H 1 4.632 0.05 . 1 . . . . 249 THR HB . 15734 1 1084 . 1 1 97 97 THR HG21 H 1 1.550 0.05 . 1 . . . . 249 THR HG21 . 15734 1 1085 . 1 1 97 97 THR HG22 H 1 1.550 0.05 . 1 . . . . 249 THR HG21 . 15734 1 1086 . 1 1 97 97 THR HG23 H 1 1.550 0.05 . 1 . . . . 249 THR HG21 . 15734 1 1087 . 1 1 97 97 THR C C 13 177.900 0.5 . 1 . . . . 249 THR C . 15734 1 1088 . 1 1 97 97 THR CA C 13 63.543 0.5 . 1 . . . . 249 THR CA . 15734 1 1089 . 1 1 97 97 THR CB C 13 70.500 0.5 . 1 . . . . 249 THR CB . 15734 1 1090 . 1 1 97 97 THR CG2 C 13 21.400 0.5 . 1 . . . . 249 THR CG2 . 15734 1 1091 . 1 1 97 97 THR N N 15 111.222 0.5 . 1 . . . . 249 THR N . 15734 1 1092 . 1 1 98 98 GLY H H 1 8.530 0.05 . 1 . . . . 250 GLY HN . 15734 1 1093 . 1 1 98 98 GLY HA2 H 1 3.882 0.05 . 2 . . . . 250 GLY HA1 . 15734 1 1094 . 1 1 98 98 GLY HA3 H 1 4.282 0.05 . 2 . . . . 250 GLY HA2 . 15734 1 1095 . 1 1 98 98 GLY C C 13 173.200 0.5 . 1 . . . . 250 GLY C . 15734 1 1096 . 1 1 98 98 GLY CA C 13 45.756 0.5 . 1 . . . . 250 GLY CA . 15734 1 1097 . 1 1 98 98 GLY N N 15 111.696 0.5 . 1 . . . . 250 GLY N . 15734 1 1098 . 1 1 99 99 TYR H H 1 8.430 0.05 . 1 . . . . 251 TYR HN . 15734 1 1099 . 1 1 99 99 TYR HA H 1 4.342 0.05 . 1 . . . . 251 TYR HA . 15734 1 1100 . 1 1 99 99 TYR HB2 H 1 3.002 0.05 . 2 . . . . 251 TYR HB1 . 15734 1 1101 . 1 1 99 99 TYR HB3 H 1 3.242 0.05 . 2 . . . . 251 TYR HB2 . 15734 1 1102 . 1 1 99 99 TYR HD1 H 1 7.080 0.05 . 3 . . . . 251 TYR HD1 . 15734 1 1103 . 1 1 99 99 TYR HE1 H 1 6.630 0.05 . 3 . . . . 251 TYR HE1 . 15734 1 1104 . 1 1 99 99 TYR C C 13 172.600 0.5 . 1 . . . . 251 TYR C . 15734 1 1105 . 1 1 99 99 TYR CA C 13 57.975 0.5 . 1 . . . . 251 TYR CA . 15734 1 1106 . 1 1 99 99 TYR CB C 13 40.861 0.5 . 1 . . . . 251 TYR CB . 15734 1 1107 . 1 1 99 99 TYR CD1 C 13 133.800 0.5 . 3 . . . . 251 TYR CD1 . 15734 1 1108 . 1 1 99 99 TYR CE1 C 13 118.100 0.5 . 3 . . . . 251 TYR CE1 . 15734 1 1109 . 1 1 99 99 TYR N N 15 125.246 0.5 . 1 . . . . 251 TYR N . 15734 1 1110 . 1 1 100 100 LYS H H 1 6.240 0.05 . 1 . . . . 252 LYS HN . 15734 1 1111 . 1 1 100 100 LYS HA H 1 4.832 0.05 . 1 . . . . 252 LYS HA . 15734 1 1112 . 1 1 100 100 LYS HB2 H 1 1.402 0.05 . 2 . . . . 252 LYS HB1 . 15734 1 1113 . 1 1 100 100 LYS HB3 H 1 1.582 0.05 . 2 . . . . 252 LYS HB2 . 15734 1 1114 . 1 1 100 100 LYS HD2 H 1 1.532 0.05 . 2 . . . . 252 LYS HD1 . 15734 1 1115 . 1 1 100 100 LYS HD3 H 1 1.532 0.05 . 2 . . . . 252 LYS HD2 . 15734 1 1116 . 1 1 100 100 LYS HE2 H 1 2.552 0.05 . 2 . . . . 252 LYS HE1 . 15734 1 1117 . 1 1 100 100 LYS HE3 H 1 2.582 0.05 . 2 . . . . 252 LYS HE2 . 15734 1 1118 . 1 1 100 100 LYS HG2 H 1 1.100 0.05 . 2 . . . . 252 LYS HG1 . 15734 1 1119 . 1 1 100 100 LYS HG3 H 1 1.150 0.05 . 2 . . . . 252 LYS HG2 . 15734 1 1120 . 1 1 100 100 LYS C C 13 175.100 0.5 . 1 . . . . 252 LYS C . 15734 1 1121 . 1 1 100 100 LYS CA C 13 53.676 0.5 . 1 . . . . 252 LYS CA . 15734 1 1122 . 1 1 100 100 LYS CB C 13 33.028 0.5 . 1 . . . . 252 LYS CB . 15734 1 1123 . 1 1 100 100 LYS CD C 13 28.700 0.5 . 1 . . . . 252 LYS CD . 15734 1 1124 . 1 1 100 100 LYS CE C 13 41.700 0.5 . 1 . . . . 252 LYS CE . 15734 1 1125 . 1 1 100 100 LYS CG C 13 25.000 0.5 . 1 . . . . 252 LYS CG . 15734 1 1126 . 1 1 100 100 LYS N N 15 122.828 0.5 . 1 . . . . 252 LYS N . 15734 1 1127 . 1 1 101 101 THR H H 1 10.940 0.05 . 1 . . . . 253 THR HN . 15734 1 1128 . 1 1 101 101 THR HA H 1 3.772 0.05 . 1 . . . . 253 THR HA . 15734 1 1129 . 1 1 101 101 THR HB H 1 4.612 0.05 . 1 . . . . 253 THR HB . 15734 1 1130 . 1 1 101 101 THR HG21 H 1 1.060 0.05 . 1 . . . . 253 THR HG21 . 15734 1 1131 . 1 1 101 101 THR HG22 H 1 1.060 0.05 . 1 . . . . 253 THR HG21 . 15734 1 1132 . 1 1 101 101 THR HG23 H 1 1.060 0.05 . 1 . . . . 253 THR HG21 . 15734 1 1133 . 1 1 101 101 THR C C 13 172.900 0.5 . 1 . . . . 253 THR C . 15734 1 1134 . 1 1 101 101 THR CA C 13 65.999 0.5 . 1 . . . . 253 THR CA . 15734 1 1135 . 1 1 101 101 THR CB C 13 68.200 0.5 . 1 . . . . 253 THR CB . 15734 1 1136 . 1 1 101 101 THR CG2 C 13 21.500 0.5 . 1 . . . . 253 THR CG2 . 15734 1 1137 . 1 1 101 101 THR N N 15 130.637 0.5 . 1 . . . . 253 THR N . 15734 1 1138 . 1 1 102 102 GLN H H 1 9.890 0.05 . 1 . . . . 254 GLN HN . 15734 1 1139 . 1 1 102 102 GLN HA H 1 4.792 0.05 . 1 . . . . 254 GLN HA . 15734 1 1140 . 1 1 102 102 GLN HB2 H 1 1.972 0.05 . 2 . . . . 254 GLN HB1 . 15734 1 1141 . 1 1 102 102 GLN HB3 H 1 2.222 0.05 . 2 . . . . 254 GLN HB2 . 15734 1 1142 . 1 1 102 102 GLN HG2 H 1 2.290 0.05 . 2 . . . . 254 GLN HG1 . 15734 1 1143 . 1 1 102 102 GLN HG3 H 1 2.400 0.05 . 2 . . . . 254 GLN HG2 . 15734 1 1144 . 1 1 102 102 GLN C C 13 174.000 0.5 . 1 . . . . 254 GLN C . 15734 1 1145 . 1 1 102 102 GLN CA C 13 57.432 0.5 . 1 . . . . 254 GLN CA . 15734 1 1146 . 1 1 102 102 GLN CB C 13 30.500 0.5 . 1 . . . . 254 GLN CB . 15734 1 1147 . 1 1 102 102 GLN CG C 13 34.000 0.5 . 1 . . . . 254 GLN CG . 15734 1 1148 . 1 1 102 102 GLN N N 15 127.234 0.5 . 1 . . . . 254 GLN N . 15734 1 1149 . 1 1 103 103 SER H H 1 8.050 0.05 . 1 . . . . 255 SER HN . 15734 1 1150 . 1 1 103 103 SER HA H 1 5.002 0.05 . 1 . . . . 255 SER HA . 15734 1 1151 . 1 1 103 103 SER HB2 H 1 4.162 0.05 . 2 . . . . 255 SER HB1 . 15734 1 1152 . 1 1 103 103 SER HB3 H 1 4.212 0.05 . 2 . . . . 255 SER HB2 . 15734 1 1153 . 1 1 103 103 SER C C 13 174.800 0.5 . 1 . . . . 255 SER C . 15734 1 1154 . 1 1 103 103 SER CA C 13 55.372 0.5 . 1 . . . . 255 SER CA . 15734 1 1155 . 1 1 103 103 SER CB C 13 65.892 0.5 . 1 . . . . 255 SER CB . 15734 1 1156 . 1 1 103 103 SER N N 15 111.549 0.5 . 1 . . . . 255 SER N . 15734 1 1157 . 1 1 104 104 ILE H H 1 8.690 0.05 . 1 . . . . 256 ILE HN . 15734 1 1158 . 1 1 104 104 ILE HA H 1 5.002 0.05 . 1 . . . . 256 ILE HA . 15734 1 1159 . 1 1 104 104 ILE HB H 1 1.492 0.05 . 1 . . . . 256 ILE HB . 15734 1 1160 . 1 1 104 104 ILE HD11 H 1 0.862 0.05 . 1 . . . . 256 ILE HD11 . 15734 1 1161 . 1 1 104 104 ILE HD12 H 1 0.862 0.05 . 1 . . . . 256 ILE HD11 . 15734 1 1162 . 1 1 104 104 ILE HD13 H 1 0.862 0.05 . 1 . . . . 256 ILE HD11 . 15734 1 1163 . 1 1 104 104 ILE HG12 H 1 0.860 0.05 . 1 . . . . 256 ILE HG11 . 15734 1 1164 . 1 1 104 104 ILE HG13 H 1 1.370 0.05 . 1 . . . . 256 ILE HG12 . 15734 1 1165 . 1 1 104 104 ILE HG21 H 1 0.890 0.05 . 2 . . . . 256 ILE HG21 . 15734 1 1166 . 1 1 104 104 ILE HG22 H 1 0.890 0.05 . 2 . . . . 256 ILE HG21 . 15734 1 1167 . 1 1 104 104 ILE HG23 H 1 0.890 0.05 . 2 . . . . 256 ILE HG21 . 15734 1 1168 . 1 1 104 104 ILE C C 13 173.100 0.5 . 1 . . . . 256 ILE C . 15734 1 1169 . 1 1 104 104 ILE CA C 13 60.730 0.5 . 1 . . . . 256 ILE CA . 15734 1 1170 . 1 1 104 104 ILE CB C 13 44.700 0.5 . 1 . . . . 256 ILE CB . 15734 1 1171 . 1 1 104 104 ILE CD1 C 13 18.000 0.5 . 1 . . . . 256 ILE CD1 . 15734 1 1172 . 1 1 104 104 ILE CG1 C 13 27.200 0.5 . 2 . . . . 256 ILE CG1 . 15734 1 1173 . 1 1 104 104 ILE CG2 C 13 15.300 0.5 . 1 . . . . 256 ILE CG2 . 15734 1 1174 . 1 1 104 104 ILE N N 15 118.341 0.5 . 1 . . . . 256 ILE N . 15734 1 1175 . 1 1 105 105 LEU H H 1 8.860 0.05 . 1 . . . . 257 LEU HN . 15734 1 1176 . 1 1 105 105 LEU HA H 1 4.962 0.05 . 1 . . . . 257 LEU HA . 15734 1 1177 . 1 1 105 105 LEU HB2 H 1 0.352 0.05 . 2 . . . . 257 LEU HB1 . 15734 1 1178 . 1 1 105 105 LEU HB3 H 1 0.912 0.05 . 2 . . . . 257 LEU HB2 . 15734 1 1179 . 1 1 105 105 LEU HD11 H 1 0.862 0.05 . 2 . . . . 257 LEU HD11 . 15734 1 1180 . 1 1 105 105 LEU HD12 H 1 0.862 0.05 . 2 . . . . 257 LEU HD11 . 15734 1 1181 . 1 1 105 105 LEU HD13 H 1 0.862 0.05 . 2 . . . . 257 LEU HD11 . 15734 1 1182 . 1 1 105 105 LEU HD21 H 1 0.572 0.05 . 2 . . . . 257 LEU HD21 . 15734 1 1183 . 1 1 105 105 LEU HD22 H 1 0.572 0.05 . 2 . . . . 257 LEU HD21 . 15734 1 1184 . 1 1 105 105 LEU HD23 H 1 0.572 0.05 . 2 . . . . 257 LEU HD21 . 15734 1 1185 . 1 1 105 105 LEU HG H 1 1.260 0.05 . 1 . . . . 257 LEU HG . 15734 1 1186 . 1 1 105 105 LEU C C 13 174.600 0.5 . 1 . . . . 257 LEU C . 15734 1 1187 . 1 1 105 105 LEU CA C 13 53.402 0.5 . 1 . . . . 257 LEU CA . 15734 1 1188 . 1 1 105 105 LEU CB C 13 42.675 0.5 . 1 . . . . 257 LEU CB . 15734 1 1189 . 1 1 105 105 LEU CD1 C 13 23.500 0.5 . 1 . . . . 257 LEU CD1 . 15734 1 1190 . 1 1 105 105 LEU CD2 C 13 26.400 0.5 . 1 . . . . 257 LEU CD2 . 15734 1 1191 . 1 1 105 105 LEU CG C 13 27.400 0.5 . 1 . . . . 257 LEU CG . 15734 1 1192 . 1 1 105 105 LEU N N 15 128.630 0.5 . 1 . . . . 257 LEU N . 15734 1 1193 . 1 1 106 106 CYS H H 1 9.270 0.05 . 1 . . . . 258 CYS HN . 15734 1 1194 . 1 1 106 106 CYS HA H 1 5.662 0.05 . 1 . . . . 258 CYS HA . 15734 1 1195 . 1 1 106 106 CYS HB2 H 1 2.642 0.05 . 2 . . . . 258 CYS HB1 . 15734 1 1196 . 1 1 106 106 CYS HB3 H 1 2.702 0.05 . 2 . . . . 258 CYS HB2 . 15734 1 1197 . 1 1 106 106 CYS C C 13 172.500 0.5 . 1 . . . . 258 CYS C . 15734 1 1198 . 1 1 106 106 CYS CA C 13 56.500 0.5 . 1 . . . . 258 CYS CA . 15734 1 1199 . 1 1 106 106 CYS CB C 13 29.359 0.5 . 1 . . . . 258 CYS CB . 15734 1 1200 . 1 1 106 106 CYS N N 15 127.307 0.5 . 1 . . . . 258 CYS N . 15734 1 1201 . 1 1 107 107 MET H H 1 8.970 0.05 . 1 . . . . 259 MET HN . 15734 1 1202 . 1 1 107 107 MET HA H 1 5.242 0.05 . 1 . . . . 259 MET HA . 15734 1 1203 . 1 1 107 107 MET HB2 H 1 1.522 0.05 . 2 . . . . 259 MET HB1 . 15734 1 1204 . 1 1 107 107 MET HB3 H 1 2.062 0.05 . 2 . . . . 259 MET HB2 . 15734 1 1205 . 1 1 107 107 MET HG2 H 1 2.400 0.05 . 2 . . . . 259 MET HG1 . 15734 1 1206 . 1 1 107 107 MET HG3 H 1 2.280 0.05 . 2 . . . . 259 MET HG2 . 15734 1 1207 . 1 1 107 107 MET CA C 13 51.769 0.5 . 1 . . . . 259 MET CA . 15734 1 1208 . 1 1 107 107 MET CB C 13 35.900 0.5 . 1 . . . . 259 MET CB . 15734 1 1209 . 1 1 107 107 MET CG C 13 33.100 0.5 . 1 . . . . 259 MET CG . 15734 1 1210 . 1 1 107 107 MET N N 15 125.033 0.5 . 1 . . . . 259 MET N . 15734 1 1211 . 1 1 108 108 PRO HA H 1 4.752 0.05 . 1 . . . . 260 PRO HA . 15734 1 1212 . 1 1 108 108 PRO HB2 H 1 1.782 0.05 . 2 . . . . 260 PRO HB1 . 15734 1 1213 . 1 1 108 108 PRO HB3 H 1 1.962 0.05 . 2 . . . . 260 PRO HB2 . 15734 1 1214 . 1 1 108 108 PRO HD2 H 1 3.362 0.05 . 2 . . . . 260 PRO HD1 . 15734 1 1215 . 1 1 108 108 PRO HD3 H 1 3.952 0.05 . 2 . . . . 260 PRO HD2 . 15734 1 1216 . 1 1 108 108 PRO CA C 13 61.900 0.5 . 1 . . . . 260 PRO CA . 15734 1 1217 . 1 1 108 108 PRO CB C 13 32.800 0.5 . 1 . . . . 260 PRO CB . 15734 1 1218 . 1 1 108 108 PRO CD C 13 49.900 0.5 . 1 . . . . 260 PRO CD . 15734 1 1219 . 1 1 108 108 PRO CG C 13 25.200 0.5 . 1 . . . . 260 PRO CG . 15734 1 1220 . 1 1 109 109 ILE H H 1 8.400 0.05 . 1 . . . . 261 ILE HN . 15734 1 1221 . 1 1 109 109 ILE HA H 1 4.202 0.05 . 1 . . . . 261 ILE HA . 15734 1 1222 . 1 1 109 109 ILE HB H 1 1.322 0.05 . 1 . . . . 261 ILE HB . 15734 1 1223 . 1 1 109 109 ILE HD11 H 1 0.742 0.05 . 1 . . . . 261 ILE HD11 . 15734 1 1224 . 1 1 109 109 ILE HD12 H 1 0.742 0.05 . 1 . . . . 261 ILE HD11 . 15734 1 1225 . 1 1 109 109 ILE HD13 H 1 0.742 0.05 . 1 . . . . 261 ILE HD11 . 15734 1 1226 . 1 1 109 109 ILE HG12 H 1 0.860 0.05 . 1 . . . . 261 ILE HG11 . 15734 1 1227 . 1 1 109 109 ILE HG13 H 1 1.420 0.05 . 1 . . . . 261 ILE HG12 . 15734 1 1228 . 1 1 109 109 ILE HG21 H 1 0.740 0.05 . 2 . . . . 261 ILE HG21 . 15734 1 1229 . 1 1 109 109 ILE HG22 H 1 0.740 0.05 . 2 . . . . 261 ILE HG21 . 15734 1 1230 . 1 1 109 109 ILE HG23 H 1 0.740 0.05 . 2 . . . . 261 ILE HG21 . 15734 1 1231 . 1 1 109 109 ILE C C 13 175.200 0.5 . 1 . . . . 261 ILE C . 15734 1 1232 . 1 1 109 109 ILE CA C 13 60.800 0.5 . 1 . . . . 261 ILE CA . 15734 1 1233 . 1 1 109 109 ILE CB C 13 39.100 0.5 . 1 . . . . 261 ILE CB . 15734 1 1234 . 1 1 109 109 ILE CD1 C 13 18.000 0.5 . 1 . . . . 261 ILE CD1 . 15734 1 1235 . 1 1 109 109 ILE CG1 C 13 27.500 0.5 . 2 . . . . 261 ILE CG1 . 15734 1 1236 . 1 1 109 109 ILE CG2 C 13 15.000 0.5 . 1 . . . . 261 ILE CG2 . 15734 1 1237 . 1 1 109 109 ILE N N 15 119.837 0.5 . 1 . . . . 261 ILE N . 15734 1 1238 . 1 1 110 110 LYS H H 1 8.710 0.05 . 1 . . . . 262 LYS HN . 15734 1 1239 . 1 1 110 110 LYS HA H 1 5.602 0.05 . 1 . . . . 262 LYS HA . 15734 1 1240 . 1 1 110 110 LYS HB2 H 1 1.652 0.05 . 2 . . . . 262 LYS HB1 . 15734 1 1241 . 1 1 110 110 LYS HB3 H 1 1.792 0.05 . 2 . . . . 262 LYS HB2 . 15734 1 1242 . 1 1 110 110 LYS HD2 H 1 1.582 0.05 . 2 . . . . 262 LYS HD1 . 15734 1 1243 . 1 1 110 110 LYS HD3 H 1 1.672 0.05 . 2 . . . . 262 LYS HD2 . 15734 1 1244 . 1 1 110 110 LYS HE2 H 1 2.832 0.05 . 2 . . . . 262 LYS HE1 . 15734 1 1245 . 1 1 110 110 LYS HE3 H 1 2.872 0.05 . 2 . . . . 262 LYS HE2 . 15734 1 1246 . 1 1 110 110 LYS HG2 H 1 1.080 0.05 . 2 . . . . 262 LYS HG1 . 15734 1 1247 . 1 1 110 110 LYS HG3 H 1 1.220 0.05 . 2 . . . . 262 LYS HG2 . 15734 1 1248 . 1 1 110 110 LYS C C 13 173.500 0.5 . 1 . . . . 262 LYS C . 15734 1 1249 . 1 1 110 110 LYS CA C 13 54.474 0.5 . 1 . . . . 262 LYS CA . 15734 1 1250 . 1 1 110 110 LYS CB C 13 36.398 0.5 . 1 . . . . 262 LYS CB . 15734 1 1251 . 1 1 110 110 LYS CD C 13 29.900 0.5 . 1 . . . . 262 LYS CD . 15734 1 1252 . 1 1 110 110 LYS CE C 13 42.400 0.5 . 1 . . . . 262 LYS CE . 15734 1 1253 . 1 1 110 110 LYS CG C 13 26.900 0.5 . 1 . . . . 262 LYS CG . 15734 1 1254 . 1 1 110 110 LYS N N 15 126.157 0.5 . 1 . . . . 262 LYS N . 15734 1 1255 . 1 1 111 111 ASN H H 1 8.230 0.05 . 1 . . . . 263 ASN HN . 15734 1 1256 . 1 1 111 111 ASN HA H 1 4.832 0.05 . 1 . . . . 263 ASN HA . 15734 1 1257 . 1 1 111 111 ASN HB2 H 1 2.752 0.05 . 2 . . . . 263 ASN HB1 . 15734 1 1258 . 1 1 111 111 ASN HB3 H 1 3.662 0.05 . 2 . . . . 263 ASN HB2 . 15734 1 1259 . 1 1 111 111 ASN CA C 13 50.615 0.5 . 1 . . . . 263 ASN CA . 15734 1 1260 . 1 1 111 111 ASN CB C 13 39.446 0.5 . 1 . . . . 263 ASN CB . 15734 1 1261 . 1 1 111 111 ASN N N 15 117.157 0.5 . 1 . . . . 263 ASN N . 15734 1 1262 . 1 1 112 112 HIS HA H 1 4.622 0.05 . 1 . . . . 264 HIS HA . 15734 1 1263 . 1 1 112 112 HIS HB2 H 1 3.022 0.05 . 2 . . . . 264 HIS HB1 . 15734 1 1264 . 1 1 112 112 HIS HB3 H 1 3.122 0.05 . 2 . . . . 264 HIS HB2 . 15734 1 1265 . 1 1 112 112 HIS HD2 H 1 7.042 0.05 . 3 . . . . 264 HIS HD2 . 15734 1 1266 . 1 1 112 112 HIS C C 13 174.000 0.5 . 1 . . . . 264 HIS C . 15734 1 1267 . 1 1 112 112 HIS CA C 13 56.200 0.5 . 1 . . . . 264 HIS CA . 15734 1 1268 . 1 1 112 112 HIS CB C 13 30.500 0.5 . 1 . . . . 264 HIS CB . 15734 1 1269 . 1 1 112 112 HIS CD2 C 13 120.050 0.5 . 1 . . . . 264 HIS CD2 . 15734 1 1270 . 1 1 113 113 ARG H H 1 7.930 0.05 . 1 . . . . 265 ARG HN . 15734 1 1271 . 1 1 113 113 ARG HA H 1 4.412 0.05 . 1 . . . . 265 ARG HA . 15734 1 1272 . 1 1 113 113 ARG HB2 H 1 1.532 0.05 . 2 . . . . 265 ARG HB1 . 15734 1 1273 . 1 1 113 113 ARG HB3 H 1 1.962 0.05 . 2 . . . . 265 ARG HB2 . 15734 1 1274 . 1 1 113 113 ARG HD2 H 1 3.122 0.05 . 2 . . . . 265 ARG HD1 . 15734 1 1275 . 1 1 113 113 ARG HD3 H 1 3.172 0.05 . 2 . . . . 265 ARG HD2 . 15734 1 1276 . 1 1 113 113 ARG HG2 H 1 1.060 0.05 . 2 . . . . 265 ARG HG1 . 15734 1 1277 . 1 1 113 113 ARG HG3 H 1 1.280 0.05 . 2 . . . . 265 ARG HG2 . 15734 1 1278 . 1 1 113 113 ARG C C 13 175.000 0.5 . 1 . . . . 265 ARG C . 15734 1 1279 . 1 1 113 113 ARG CA C 13 55.100 0.5 . 1 . . . . 265 ARG CA . 15734 1 1280 . 1 1 113 113 ARG CB C 13 30.300 0.5 . 1 . . . . 265 ARG CB . 15734 1 1281 . 1 1 113 113 ARG CD C 13 43.400 0.5 . 1 . . . . 265 ARG CD . 15734 1 1282 . 1 1 113 113 ARG CG C 13 27.500 0.5 . 1 . . . . 265 ARG CG . 15734 1 1283 . 1 1 113 113 ARG N N 15 125.226 0.5 . 1 . . . . 265 ARG N . 15734 1 1284 . 1 1 114 114 GLU H H 1 8.080 0.05 . 1 . . . . 266 GLU HN . 15734 1 1285 . 1 1 114 114 GLU HA H 1 3.732 0.05 . 1 . . . . 266 GLU HA . 15734 1 1286 . 1 1 114 114 GLU HB2 H 1 2.352 0.05 . 2 . . . . 266 GLU HB1 . 15734 1 1287 . 1 1 114 114 GLU HB3 H 1 2.382 0.05 . 2 . . . . 266 GLU HB2 . 15734 1 1288 . 1 1 114 114 GLU HG2 H 1 2.230 0.05 . 2 . . . . 266 GLU HG1 . 15734 1 1289 . 1 1 114 114 GLU HG3 H 1 2.140 0.05 . 2 . . . . 266 GLU HG2 . 15734 1 1290 . 1 1 114 114 GLU C C 13 174.800 0.5 . 1 . . . . 266 GLU C . 15734 1 1291 . 1 1 114 114 GLU CA C 13 58.052 0.5 . 1 . . . . 266 GLU CA . 15734 1 1292 . 1 1 114 114 GLU CB C 13 26.601 0.5 . 1 . . . . 266 GLU CB . 15734 1 1293 . 1 1 114 114 GLU CG C 13 36.700 0.5 . 1 . . . . 266 GLU CG . 15734 1 1294 . 1 1 114 114 GLU N N 15 111.744 0.5 . 1 . . . . 266 GLU N . 15734 1 1295 . 1 1 115 115 GLU H H 1 7.690 0.05 . 1 . . . . 267 GLU HN . 15734 1 1296 . 1 1 115 115 GLU HA H 1 4.392 0.05 . 1 . . . . 267 GLU HA . 15734 1 1297 . 1 1 115 115 GLU HB2 H 1 1.822 0.05 . 2 . . . . 267 GLU HB1 . 15734 1 1298 . 1 1 115 115 GLU HB3 H 1 1.942 0.05 . 2 . . . . 267 GLU HB2 . 15734 1 1299 . 1 1 115 115 GLU HG2 H 1 2.180 0.05 . 2 . . . . 267 GLU HG1 . 15734 1 1300 . 1 1 115 115 GLU HG3 H 1 2.180 0.05 . 2 . . . . 267 GLU HG2 . 15734 1 1301 . 1 1 115 115 GLU C C 13 176.700 0.5 . 1 . . . . 267 GLU C . 15734 1 1302 . 1 1 115 115 GLU CA C 13 54.401 0.5 . 1 . . . . 267 GLU CA . 15734 1 1303 . 1 1 115 115 GLU CB C 13 30.231 0.5 . 1 . . . . 267 GLU CB . 15734 1 1304 . 1 1 115 115 GLU CG C 13 36.100 0.5 . 1 . . . . 267 GLU CG . 15734 1 1305 . 1 1 115 115 GLU N N 15 118.221 0.5 . 1 . . . . 267 GLU N . 15734 1 1306 . 1 1 116 116 VAL H H 1 8.870 0.05 . 1 . . . . 268 VAL HN . 15734 1 1307 . 1 1 116 116 VAL HA H 1 4.092 0.05 . 1 . . . . 268 VAL HA . 15734 1 1308 . 1 1 116 116 VAL HB H 1 2.292 0.05 . 1 . . . . 268 VAL HB . 15734 1 1309 . 1 1 116 116 VAL HG11 H 1 0.990 0.05 . 2 . . . . 268 VAL HG11 . 15734 1 1310 . 1 1 116 116 VAL HG12 H 1 0.990 0.05 . 2 . . . . 268 VAL HG11 . 15734 1 1311 . 1 1 116 116 VAL HG13 H 1 0.990 0.05 . 2 . . . . 268 VAL HG11 . 15734 1 1312 . 1 1 116 116 VAL HG21 H 1 1.080 0.05 . 2 . . . . 268 VAL HG21 . 15734 1 1313 . 1 1 116 116 VAL HG22 H 1 1.080 0.05 . 2 . . . . 268 VAL HG21 . 15734 1 1314 . 1 1 116 116 VAL HG23 H 1 1.080 0.05 . 2 . . . . 268 VAL HG21 . 15734 1 1315 . 1 1 116 116 VAL C C 13 176.500 0.5 . 1 . . . . 268 VAL C . 15734 1 1316 . 1 1 116 116 VAL CA C 13 64.112 0.5 . 1 . . . . 268 VAL CA . 15734 1 1317 . 1 1 116 116 VAL CB C 13 31.300 0.5 . 1 . . . . 268 VAL CB . 15734 1 1318 . 1 1 116 116 VAL CG1 C 13 22.100 0.5 . 1 . . . . 268 VAL CG1 . 15734 1 1319 . 1 1 116 116 VAL CG2 C 13 22.500 0.5 . 1 . . . . 268 VAL CG2 . 15734 1 1320 . 1 1 116 116 VAL N N 15 122.496 0.5 . 1 . . . . 268 VAL N . 15734 1 1321 . 1 1 117 117 VAL H H 1 8.930 0.05 . 1 . . . . 269 VAL HN . 15734 1 1322 . 1 1 117 117 VAL HA H 1 4.602 0.05 . 1 . . . . 269 VAL HA . 15734 1 1323 . 1 1 117 117 VAL HB H 1 2.322 0.05 . 1 . . . . 269 VAL HB . 15734 1 1324 . 1 1 117 117 VAL HG11 H 1 0.780 0.05 . 2 . . . . 269 VAL HG11 . 15734 1 1325 . 1 1 117 117 VAL HG12 H 1 0.780 0.05 . 2 . . . . 269 VAL HG11 . 15734 1 1326 . 1 1 117 117 VAL HG13 H 1 0.780 0.05 . 2 . . . . 269 VAL HG11 . 15734 1 1327 . 1 1 117 117 VAL HG21 H 1 0.980 0.05 . 2 . . . . 269 VAL HG21 . 15734 1 1328 . 1 1 117 117 VAL HG22 H 1 0.980 0.05 . 2 . . . . 269 VAL HG21 . 15734 1 1329 . 1 1 117 117 VAL HG23 H 1 0.980 0.05 . 2 . . . . 269 VAL HG21 . 15734 1 1330 . 1 1 117 117 VAL C C 13 176.500 0.5 . 1 . . . . 269 VAL C . 15734 1 1331 . 1 1 117 117 VAL CA C 13 61.207 0.5 . 1 . . . . 269 VAL CA . 15734 1 1332 . 1 1 117 117 VAL CB C 13 32.801 0.5 . 1 . . . . 269 VAL CB . 15734 1 1333 . 1 1 117 117 VAL CG1 C 13 19.100 0.5 . 1 . . . . 269 VAL CG1 . 15734 1 1334 . 1 1 117 117 VAL CG2 C 13 22.100 0.5 . 1 . . . . 269 VAL CG2 . 15734 1 1335 . 1 1 117 117 VAL N N 15 121.422 0.5 . 1 . . . . 269 VAL N . 15734 1 1336 . 1 1 118 118 GLY H H 1 8.110 0.05 . 1 . . . . 270 GLY HN . 15734 1 1337 . 1 1 118 118 GLY HA2 H 1 4.022 0.05 . 2 . . . . 270 GLY HA1 . 15734 1 1338 . 1 1 118 118 GLY HA3 H 1 4.732 0.05 . 2 . . . . 270 GLY HA2 . 15734 1 1339 . 1 1 118 118 GLY C C 13 169.900 0.5 . 1 . . . . 270 GLY C . 15734 1 1340 . 1 1 118 118 GLY CA C 13 45.347 0.5 . 1 . . . . 270 GLY CA . 15734 1 1341 . 1 1 118 118 GLY N N 15 108.446 0.5 . 1 . . . . 270 GLY N . 15734 1 1342 . 1 1 119 119 VAL H H 1 9.610 0.05 . 1 . . . . 271 VAL HN . 15734 1 1343 . 1 1 119 119 VAL HA H 1 4.732 0.05 . 1 . . . . 271 VAL HA . 15734 1 1344 . 1 1 119 119 VAL HB H 1 1.792 0.05 . 1 . . . . 271 VAL HB . 15734 1 1345 . 1 1 119 119 VAL HG11 H 1 0.790 0.05 . 2 . . . . 271 VAL HG11 . 15734 1 1346 . 1 1 119 119 VAL HG12 H 1 0.790 0.05 . 2 . . . . 271 VAL HG11 . 15734 1 1347 . 1 1 119 119 VAL HG13 H 1 0.790 0.05 . 2 . . . . 271 VAL HG11 . 15734 1 1348 . 1 1 119 119 VAL HG21 H 1 0.940 0.05 . 2 . . . . 271 VAL HG21 . 15734 1 1349 . 1 1 119 119 VAL HG22 H 1 0.940 0.05 . 2 . . . . 271 VAL HG21 . 15734 1 1350 . 1 1 119 119 VAL HG23 H 1 0.940 0.05 . 2 . . . . 271 VAL HG21 . 15734 1 1351 . 1 1 119 119 VAL C C 13 172.900 0.5 . 1 . . . . 271 VAL C . 15734 1 1352 . 1 1 119 119 VAL CA C 13 61.500 0.5 . 1 . . . . 271 VAL CA . 15734 1 1353 . 1 1 119 119 VAL CB C 13 36.700 0.5 . 1 . . . . 271 VAL CB . 15734 1 1354 . 1 1 119 119 VAL CG1 C 13 22.100 0.5 . 1 . . . . 271 VAL CG1 . 15734 1 1355 . 1 1 119 119 VAL CG2 C 13 24.500 0.5 . 1 . . . . 271 VAL CG2 . 15734 1 1356 . 1 1 119 119 VAL N N 15 118.357 0.5 . 1 . . . . 271 VAL N . 15734 1 1357 . 1 1 120 120 ALA H H 1 9.030 0.05 . 1 . . . . 272 ALA HN . 15734 1 1358 . 1 1 120 120 ALA HA H 1 6.002 0.05 . 1 . . . . 272 ALA HA . 15734 1 1359 . 1 1 120 120 ALA HB1 H 1 1.692 0.05 . 1 . . . . 272 ALA HB1 . 15734 1 1360 . 1 1 120 120 ALA HB2 H 1 1.692 0.05 . 1 . . . . 272 ALA HB1 . 15734 1 1361 . 1 1 120 120 ALA HB3 H 1 1.692 0.05 . 1 . . . . 272 ALA HB1 . 15734 1 1362 . 1 1 120 120 ALA C C 13 176.500 0.5 . 1 . . . . 272 ALA C . 15734 1 1363 . 1 1 120 120 ALA CA C 13 49.900 0.5 . 1 . . . . 272 ALA CA . 15734 1 1364 . 1 1 120 120 ALA CB C 13 25.300 0.5 . 1 . . . . 272 ALA CB . 15734 1 1365 . 1 1 120 120 ALA N N 15 128.214 0.5 . 1 . . . . 272 ALA N . 15734 1 1366 . 1 1 121 121 GLN H H 1 9.190 0.05 . 1 . . . . 273 GLN HN . 15734 1 1367 . 1 1 121 121 GLN HA H 1 5.672 0.05 . 1 . . . . 273 GLN HA . 15734 1 1368 . 1 1 121 121 GLN HB2 H 1 1.732 0.05 . 2 . . . . 273 GLN HB1 . 15734 1 1369 . 1 1 121 121 GLN HB3 H 1 2.582 0.05 . 2 . . . . 273 GLN HB2 . 15734 1 1370 . 1 1 121 121 GLN HG2 H 1 2.140 0.05 . 2 . . . . 273 GLN HG1 . 15734 1 1371 . 1 1 121 121 GLN HG3 H 1 2.450 0.05 . 2 . . . . 273 GLN HG2 . 15734 1 1372 . 1 1 121 121 GLN C C 13 173.600 0.5 . 1 . . . . 273 GLN C . 15734 1 1373 . 1 1 121 121 GLN CA C 13 55.399 0.5 . 1 . . . . 273 GLN CA . 15734 1 1374 . 1 1 121 121 GLN CB C 13 32.500 0.5 . 1 . . . . 273 GLN CB . 15734 1 1375 . 1 1 121 121 GLN CG C 13 36.400 0.5 . 1 . . . . 273 GLN CG . 15734 1 1376 . 1 1 121 121 GLN N N 15 119.127 0.5 . 1 . . . . 273 GLN N . 15734 1 1377 . 1 1 122 122 ALA H H 1 8.630 0.05 . 1 . . . . 274 ALA HN . 15734 1 1378 . 1 1 122 122 ALA HA H 1 4.722 0.05 . 1 . . . . 274 ALA HA . 15734 1 1379 . 1 1 122 122 ALA HB1 H 1 0.672 0.05 . 1 . . . . 274 ALA HB1 . 15734 1 1380 . 1 1 122 122 ALA HB2 H 1 0.672 0.05 . 1 . . . . 274 ALA HB1 . 15734 1 1381 . 1 1 122 122 ALA HB3 H 1 0.672 0.05 . 1 . . . . 274 ALA HB1 . 15734 1 1382 . 1 1 122 122 ALA C C 13 175.100 0.5 . 1 . . . . 274 ALA C . 15734 1 1383 . 1 1 122 122 ALA CA C 13 50.115 0.5 . 1 . . . . 274 ALA CA . 15734 1 1384 . 1 1 122 122 ALA CB C 13 21.600 0.5 . 1 . . . . 274 ALA CB . 15734 1 1385 . 1 1 122 122 ALA N N 15 123.331 0.5 . 1 . . . . 274 ALA N . 15734 1 1386 . 1 1 123 123 ILE H H 1 8.710 0.05 . 1 . . . . 275 ILE HN . 15734 1 1387 . 1 1 123 123 ILE HA H 1 4.942 0.05 . 1 . . . . 275 ILE HA . 15734 1 1388 . 1 1 123 123 ILE HB H 1 1.552 0.05 . 1 . . . . 275 ILE HB . 15734 1 1389 . 1 1 123 123 ILE HD11 H 1 0.972 0.05 . 1 . . . . 275 ILE HD11 . 15734 1 1390 . 1 1 123 123 ILE HD12 H 1 0.972 0.05 . 1 . . . . 275 ILE HD11 . 15734 1 1391 . 1 1 123 123 ILE HD13 H 1 0.972 0.05 . 1 . . . . 275 ILE HD11 . 15734 1 1392 . 1 1 123 123 ILE HG12 H 1 0.600 0.05 . 1 . . . . 275 ILE HG11 . 15734 1 1393 . 1 1 123 123 ILE HG13 H 1 0.730 0.05 . 1 . . . . 275 ILE HG12 . 15734 1 1394 . 1 1 123 123 ILE HG21 H 1 0.160 0.05 . 2 . . . . 275 ILE HG21 . 15734 1 1395 . 1 1 123 123 ILE HG22 H 1 0.160 0.05 . 2 . . . . 275 ILE HG21 . 15734 1 1396 . 1 1 123 123 ILE HG23 H 1 0.160 0.05 . 2 . . . . 275 ILE HG21 . 15734 1 1397 . 1 1 123 123 ILE C C 13 175.600 0.5 . 1 . . . . 275 ILE C . 15734 1 1398 . 1 1 123 123 ILE CA C 13 59.047 0.5 . 1 . . . . 275 ILE CA . 15734 1 1399 . 1 1 123 123 ILE CB C 13 40.026 0.5 . 1 . . . . 275 ILE CB . 15734 1 1400 . 1 1 123 123 ILE CD1 C 13 19.600 0.5 . 1 . . . . 275 ILE CD1 . 15734 1 1401 . 1 1 123 123 ILE CG1 C 13 27.100 0.5 . 2 . . . . 275 ILE CG1 . 15734 1 1402 . 1 1 123 123 ILE CG2 C 13 12.100 0.5 . 1 . . . . 275 ILE CG2 . 15734 1 1403 . 1 1 123 123 ILE N N 15 121.184 0.5 . 1 . . . . 275 ILE N . 15734 1 1404 . 1 1 124 124 ASN H H 1 9.350 0.05 . 1 . . . . 276 ASN HN . 15734 1 1405 . 1 1 124 124 ASN HA H 1 4.642 0.05 . 1 . . . . 276 ASN HA . 15734 1 1406 . 1 1 124 124 ASN HB2 H 1 2.732 0.05 . 2 . . . . 276 ASN HB1 . 15734 1 1407 . 1 1 124 124 ASN HB3 H 1 3.562 0.05 . 2 . . . . 276 ASN HB2 . 15734 1 1408 . 1 1 124 124 ASN C C 13 173.200 0.5 . 1 . . . . 276 ASN C . 15734 1 1409 . 1 1 124 124 ASN CA C 13 53.515 0.5 . 1 . . . . 276 ASN CA . 15734 1 1410 . 1 1 124 124 ASN CB C 13 35.200 0.5 . 1 . . . . 276 ASN CB . 15734 1 1411 . 1 1 124 124 ASN N N 15 121.603 0.5 . 1 . . . . 276 ASN N . 15734 1 1412 . 1 1 125 125 LYS H H 1 6.500 0.05 . 1 . . . . 277 LYS HN . 15734 1 1413 . 1 1 125 125 LYS HA H 1 3.512 0.05 . 1 . . . . 277 LYS HA . 15734 1 1414 . 1 1 125 125 LYS C C 13 176.600 0.5 . 1 . . . . 277 LYS C . 15734 1 1415 . 1 1 125 125 LYS CA C 13 56.268 0.5 . 1 . . . . 277 LYS CA . 15734 1 1416 . 1 1 125 125 LYS CB C 13 31.444 0.5 . 1 . . . . 277 LYS CB . 15734 1 1417 . 1 1 125 125 LYS CD C 13 26.900 0.5 . 1 . . . . 277 LYS CD . 15734 1 1418 . 1 1 125 125 LYS CE C 13 42.100 0.5 . 1 . . . . 277 LYS CE . 15734 1 1419 . 1 1 125 125 LYS CG C 13 23.500 0.5 . 1 . . . . 277 LYS CG . 15734 1 1420 . 1 1 125 125 LYS N N 15 123.377 0.5 . 1 . . . . 277 LYS N . 15734 1 1421 . 1 1 126 126 LYS H H 1 8.790 0.05 . 1 . . . . 278 LYS HN . 15734 1 1422 . 1 1 126 126 LYS HA H 1 4.422 0.05 . 1 . . . . 278 LYS HA . 15734 1 1423 . 1 1 126 126 LYS HB2 H 1 1.812 0.05 . 2 . . . . 278 LYS HB1 . 15734 1 1424 . 1 1 126 126 LYS HB3 H 1 1.812 0.05 . 2 . . . . 278 LYS HB2 . 15734 1 1425 . 1 1 126 126 LYS HD2 H 1 1.722 0.05 . 2 . . . . 278 LYS HD1 . 15734 1 1426 . 1 1 126 126 LYS HD3 H 1 1.772 0.05 . 2 . . . . 278 LYS HD2 . 15734 1 1427 . 1 1 126 126 LYS HE2 H 1 3.052 0.05 . 2 . . . . 278 LYS HE1 . 15734 1 1428 . 1 1 126 126 LYS HE3 H 1 3.052 0.05 . 2 . . . . 278 LYS HE2 . 15734 1 1429 . 1 1 126 126 LYS HG2 H 1 1.480 0.05 . 2 . . . . 278 LYS HG1 . 15734 1 1430 . 1 1 126 126 LYS HG3 H 1 1.550 0.05 . 2 . . . . 278 LYS HG2 . 15734 1 1431 . 1 1 126 126 LYS C C 13 176.500 0.5 . 1 . . . . 278 LYS C . 15734 1 1432 . 1 1 126 126 LYS CA C 13 56.496 0.5 . 1 . . . . 278 LYS CA . 15734 1 1433 . 1 1 126 126 LYS CB C 13 31.739 0.5 . 1 . . . . 278 LYS CB . 15734 1 1434 . 1 1 126 126 LYS CD C 13 29.300 0.5 . 1 . . . . 278 LYS CD . 15734 1 1435 . 1 1 126 126 LYS CE C 13 41.600 0.5 . 1 . . . . 278 LYS CE . 15734 1 1436 . 1 1 126 126 LYS CG C 13 24.800 0.5 . 1 . . . . 278 LYS CG . 15734 1 1437 . 1 1 126 126 LYS N N 15 128.406 0.5 . 1 . . . . 278 LYS N . 15734 1 1438 . 1 1 127 127 SER H H 1 8.060 0.05 . 1 . . . . 279 SER HN . 15734 1 1439 . 1 1 127 127 SER HA H 1 4.512 0.05 . 1 . . . . 279 SER HA . 15734 1 1440 . 1 1 127 127 SER HB2 H 1 3.662 0.05 . 2 . . . . 279 SER HB1 . 15734 1 1441 . 1 1 127 127 SER HB3 H 1 3.742 0.05 . 2 . . . . 279 SER HB2 . 15734 1 1442 . 1 1 127 127 SER C C 13 176.500 0.5 . 1 . . . . 279 SER C . 15734 1 1443 . 1 1 127 127 SER CA C 13 56.900 0.5 . 1 . . . . 279 SER CA . 15734 1 1444 . 1 1 127 127 SER CB C 13 63.735 0.5 . 1 . . . . 279 SER CB . 15734 1 1445 . 1 1 127 127 SER N N 15 117.105 0.5 . 1 . . . . 279 SER N . 15734 1 1446 . 1 1 128 128 GLY H H 1 8.170 0.05 . 1 . . . . 280 GLY HN . 15734 1 1447 . 1 1 128 128 GLY HA2 H 1 3.722 0.05 . 2 . . . . 280 GLY HA1 . 15734 1 1448 . 1 1 128 128 GLY HA3 H 1 4.112 0.05 . 2 . . . . 280 GLY HA2 . 15734 1 1449 . 1 1 128 128 GLY C C 13 173.000 0.5 . 1 . . . . 280 GLY C . 15734 1 1450 . 1 1 128 128 GLY CA C 13 45.100 0.5 . 1 . . . . 280 GLY CA . 15734 1 1451 . 1 1 128 128 GLY N N 15 113.188 0.5 . 1 . . . . 280 GLY N . 15734 1 1452 . 1 1 129 129 ASN H H 1 7.910 0.05 . 1 . . . . 281 ASN HN . 15734 1 1453 . 1 1 129 129 ASN HA H 1 4.532 0.05 . 1 . . . . 281 ASN HA . 15734 1 1454 . 1 1 129 129 ASN HB2 H 1 2.752 0.05 . 2 . . . . 281 ASN HB1 . 15734 1 1455 . 1 1 129 129 ASN HB3 H 1 2.862 0.05 . 2 . . . . 281 ASN HB2 . 15734 1 1456 . 1 1 129 129 ASN C C 13 174.700 0.5 . 1 . . . . 281 ASN C . 15734 1 1457 . 1 1 129 129 ASN CA C 13 53.902 0.5 . 1 . . . . 281 ASN CA . 15734 1 1458 . 1 1 129 129 ASN CB C 13 40.024 0.5 . 1 . . . . 281 ASN CB . 15734 1 1459 . 1 1 129 129 ASN N N 15 123.605 0.5 . 1 . . . . 281 ASN N . 15734 1 1460 . 1 1 130 130 GLY H H 1 7.910 0.05 . 1 . . . . 282 GLY HN . 15734 1 1461 . 1 1 130 130 GLY HA2 H 1 3.722 0.05 . 2 . . . . 282 GLY HA1 . 15734 1 1462 . 1 1 130 130 GLY HA3 H 1 4.142 0.05 . 2 . . . . 282 GLY HA2 . 15734 1 1463 . 1 1 130 130 GLY C C 13 175.000 0.5 . 1 . . . . 282 GLY C . 15734 1 1464 . 1 1 130 130 GLY CA C 13 45.319 0.5 . 1 . . . . 282 GLY CA . 15734 1 1465 . 1 1 130 130 GLY N N 15 108.689 0.5 . 1 . . . . 282 GLY N . 15734 1 1466 . 1 1 131 131 GLY H H 1 7.960 0.05 . 1 . . . . 283 GLY HN . 15734 1 1467 . 1 1 131 131 GLY HA2 H 1 3.862 0.05 . 2 . . . . 283 GLY HA1 . 15734 1 1468 . 1 1 131 131 GLY HA3 H 1 3.732 0.05 . 2 . . . . 283 GLY HA2 . 15734 1 1469 . 1 1 131 131 GLY C C 13 177.200 0.5 . 1 . . . . 283 GLY C . 15734 1 1470 . 1 1 131 131 GLY CA C 13 45.976 0.5 . 1 . . . . 283 GLY CA . 15734 1 1471 . 1 1 131 131 GLY N N 15 107.374 0.5 . 1 . . . . 283 GLY N . 15734 1 1472 . 1 1 132 132 THR H H 1 7.610 0.05 . 1 . . . . 284 THR HN . 15734 1 1473 . 1 1 132 132 THR HA H 1 4.342 0.05 . 1 . . . . 284 THR HA . 15734 1 1474 . 1 1 132 132 THR HB H 1 4.512 0.05 . 1 . . . . 284 THR HB . 15734 1 1475 . 1 1 132 132 THR HG21 H 1 1.220 0.05 . 1 . . . . 284 THR HG21 . 15734 1 1476 . 1 1 132 132 THR HG22 H 1 1.220 0.05 . 1 . . . . 284 THR HG21 . 15734 1 1477 . 1 1 132 132 THR HG23 H 1 1.220 0.05 . 1 . . . . 284 THR HG21 . 15734 1 1478 . 1 1 132 132 THR CA C 13 59.700 0.5 . 1 . . . . 284 THR CA . 15734 1 1479 . 1 1 132 132 THR CB C 13 70.000 0.5 . 1 . . . . 284 THR CB . 15734 1 1480 . 1 1 132 132 THR CG2 C 13 21.900 0.5 . 1 . . . . 284 THR CG2 . 15734 1 1481 . 1 1 132 132 THR N N 15 110.500 0.5 . 1 . . . . 284 THR N . 15734 1 1482 . 1 1 133 133 PHE H H 1 8.160 0.05 . 1 . . . . 285 PHE HN . 15734 1 1483 . 1 1 133 133 PHE HA H 1 4.732 0.05 . 1 . . . . 285 PHE HA . 15734 1 1484 . 1 1 133 133 PHE HB2 H 1 3.112 0.05 . 2 . . . . 285 PHE HB1 . 15734 1 1485 . 1 1 133 133 PHE HB3 H 1 3.162 0.05 . 2 . . . . 285 PHE HB2 . 15734 1 1486 . 1 1 133 133 PHE HD1 H 1 7.450 0.05 . 3 . . . . 285 PHE HD1 . 15734 1 1487 . 1 1 133 133 PHE HE1 H 1 6.990 0.05 . 3 . . . . 285 PHE HE1 . 15734 1 1488 . 1 1 133 133 PHE C C 13 177.600 0.5 . 1 . . . . 285 PHE C . 15734 1 1489 . 1 1 133 133 PHE CA C 13 59.700 0.5 . 1 . . . . 285 PHE CA . 15734 1 1490 . 1 1 133 133 PHE CB C 13 38.800 0.5 . 1 . . . . 285 PHE CB . 15734 1 1491 . 1 1 133 133 PHE CD1 C 13 132.700 0.5 . 3 . . . . 285 PHE CD1 . 15734 1 1492 . 1 1 133 133 PHE CE1 C 13 131.400 0.5 . 3 . . . . 285 PHE CE1 . 15734 1 1493 . 1 1 133 133 PHE N N 15 119.000 0.5 . 1 . . . . 285 PHE N . 15734 1 1494 . 1 1 134 134 THR H H 1 9.640 0.05 . 1 . . . . 286 THR HN . 15734 1 1495 . 1 1 134 134 THR HA H 1 4.832 0.05 . 1 . . . . 286 THR HA . 15734 1 1496 . 1 1 134 134 THR HB H 1 4.662 0.05 . 1 . . . . 286 THR HB . 15734 1 1497 . 1 1 134 134 THR HG21 H 1 1.370 0.05 . 1 . . . . 286 THR HG21 . 15734 1 1498 . 1 1 134 134 THR HG22 H 1 1.370 0.05 . 1 . . . . 286 THR HG21 . 15734 1 1499 . 1 1 134 134 THR HG23 H 1 1.370 0.05 . 1 . . . . 286 THR HG21 . 15734 1 1500 . 1 1 134 134 THR C C 13 175.400 0.5 . 1 . . . . 286 THR C . 15734 1 1501 . 1 1 134 134 THR CA C 13 60.554 0.5 . 1 . . . . 286 THR CA . 15734 1 1502 . 1 1 134 134 THR CB C 13 72.600 0.5 . 1 . . . . 286 THR CB . 15734 1 1503 . 1 1 134 134 THR CG2 C 13 21.700 0.5 . 1 . . . . 286 THR CG2 . 15734 1 1504 . 1 1 134 134 THR N N 15 116.467 0.5 . 1 . . . . 286 THR N . 15734 1 1505 . 1 1 135 135 GLU H H 1 8.840 0.05 . 1 . . . . 287 GLU HN . 15734 1 1506 . 1 1 135 135 GLU HA H 1 4.142 0.05 . 1 . . . . 287 GLU HA . 15734 1 1507 . 1 1 135 135 GLU HB2 H 1 2.122 0.05 . 2 . . . . 287 GLU HB1 . 15734 1 1508 . 1 1 135 135 GLU HB3 H 1 2.132 0.05 . 2 . . . . 287 GLU HB2 . 15734 1 1509 . 1 1 135 135 GLU HG2 H 1 2.360 0.05 . 2 . . . . 287 GLU HG1 . 15734 1 1510 . 1 1 135 135 GLU HG3 H 1 2.430 0.05 . 2 . . . . 287 GLU HG2 . 15734 1 1511 . 1 1 135 135 GLU C C 13 175.505 0.5 . 1 . . . . 287 GLU C . 15734 1 1512 . 1 1 135 135 GLU CA C 13 59.600 0.5 . 1 . . . . 287 GLU CA . 15734 1 1513 . 1 1 135 135 GLU CB C 13 29.409 0.5 . 1 . . . . 287 GLU CB . 15734 1 1514 . 1 1 135 135 GLU CG C 13 36.700 0.5 . 1 . . . . 287 GLU CG . 15734 1 1515 . 1 1 135 135 GLU N N 15 119.107 0.5 . 1 . . . . 287 GLU N . 15734 1 1516 . 1 1 136 136 LYS H H 1 7.890 0.05 . 1 . . . . 288 LYS HN . 15734 1 1517 . 1 1 136 136 LYS HA H 1 4.092 0.05 . 1 . . . . 288 LYS HA . 15734 1 1518 . 1 1 136 136 LYS HB2 H 1 2.062 0.05 . 2 . . . . 288 LYS HB1 . 15734 1 1519 . 1 1 136 136 LYS HB3 H 1 2.062 0.05 . 2 . . . . 288 LYS HB2 . 15734 1 1520 . 1 1 136 136 LYS HD2 H 1 1.672 0.05 . 2 . . . . 288 LYS HD1 . 15734 1 1521 . 1 1 136 136 LYS HD3 H 1 1.832 0.05 . 2 . . . . 288 LYS HD2 . 15734 1 1522 . 1 1 136 136 LYS HE2 H 1 3.102 0.05 . 2 . . . . 288 LYS HE1 . 15734 1 1523 . 1 1 136 136 LYS HE3 H 1 3.132 0.05 . 2 . . . . 288 LYS HE2 . 15734 1 1524 . 1 1 136 136 LYS HG2 H 1 1.510 0.05 . 2 . . . . 288 LYS HG1 . 15734 1 1525 . 1 1 136 136 LYS HG3 H 1 1.660 0.05 . 2 . . . . 288 LYS HG2 . 15734 1 1526 . 1 1 136 136 LYS C C 13 179.500 0.5 . 1 . . . . 288 LYS C . 15734 1 1527 . 1 1 136 136 LYS CA C 13 59.300 0.5 . 1 . . . . 288 LYS CA . 15734 1 1528 . 1 1 136 136 LYS CB C 13 32.500 0.5 . 1 . . . . 288 LYS CB . 15734 1 1529 . 1 1 136 136 LYS CD C 13 28.900 0.5 . 1 . . . . 288 LYS CD . 15734 1 1530 . 1 1 136 136 LYS CE C 13 42.200 0.5 . 1 . . . . 288 LYS CE . 15734 1 1531 . 1 1 136 136 LYS CG C 13 25.200 0.5 . 1 . . . . 288 LYS CG . 15734 1 1532 . 1 1 136 136 LYS N N 15 121.100 0.5 . 1 . . . . 288 LYS N . 15734 1 1533 . 1 1 137 137 ASP H H 1 8.880 0.05 . 1 . . . . 289 ASP HN . 15734 1 1534 . 1 1 137 137 ASP HA H 1 4.592 0.05 . 1 . . . . 289 ASP HA . 15734 1 1535 . 1 1 137 137 ASP HB2 H 1 2.762 0.05 . 2 . . . . 289 ASP HB1 . 15734 1 1536 . 1 1 137 137 ASP HB3 H 1 2.542 0.05 . 2 . . . . 289 ASP HB2 . 15734 1 1537 . 1 1 137 137 ASP C C 13 178.000 0.5 . 1 . . . . 289 ASP C . 15734 1 1538 . 1 1 137 137 ASP CA C 13 58.000 0.5 . 1 . . . . 289 ASP CA . 15734 1 1539 . 1 1 137 137 ASP CB C 13 41.700 0.5 . 1 . . . . 289 ASP CB . 15734 1 1540 . 1 1 137 137 ASP N N 15 120.632 0.5 . 1 . . . . 289 ASP N . 15734 1 1541 . 1 1 138 138 GLU H H 1 7.810 0.05 . 1 . . . . 290 GLU HN . 15734 1 1542 . 1 1 138 138 GLU HA H 1 4.002 0.05 . 1 . . . . 290 GLU HA . 15734 1 1543 . 1 1 138 138 GLU HB2 H 1 2.392 0.05 . 2 . . . . 290 GLU HB1 . 15734 1 1544 . 1 1 138 138 GLU HB3 H 1 2.142 0.05 . 2 . . . . 290 GLU HB2 . 15734 1 1545 . 1 1 138 138 GLU HG2 H 1 2.290 0.05 . 2 . . . . 290 GLU HG1 . 15734 1 1546 . 1 1 138 138 GLU HG3 H 1 2.570 0.05 . 2 . . . . 290 GLU HG2 . 15734 1 1547 . 1 1 138 138 GLU CA C 13 59.700 0.5 . 1 . . . . 290 GLU CA . 15734 1 1548 . 1 1 138 138 GLU CB C 13 30.200 0.5 . 1 . . . . 290 GLU CB . 15734 1 1549 . 1 1 138 138 GLU CG C 13 36.400 0.5 . 1 . . . . 290 GLU CG . 15734 1 1550 . 1 1 138 138 GLU N N 15 117.009 0.5 . 1 . . . . 290 GLU N . 15734 1 1551 . 1 1 139 139 LYS H H 1 7.690 0.05 . 1 . . . . 291 LYS HN . 15734 1 1552 . 1 1 139 139 LYS HA H 1 4.112 0.05 . 1 . . . . 291 LYS HA . 15734 1 1553 . 1 1 139 139 LYS HB2 H 1 2.072 0.05 . 2 . . . . 291 LYS HB1 . 15734 1 1554 . 1 1 139 139 LYS HB3 H 1 2.072 0.05 . 2 . . . . 291 LYS HB2 . 15734 1 1555 . 1 1 139 139 LYS HD2 H 1 1.762 0.05 . 2 . . . . 291 LYS HD1 . 15734 1 1556 . 1 1 139 139 LYS HD3 H 1 1.762 0.05 . 2 . . . . 291 LYS HD2 . 15734 1 1557 . 1 1 139 139 LYS HE2 H 1 3.052 0.05 . 2 . . . . 291 LYS HE1 . 15734 1 1558 . 1 1 139 139 LYS HE3 H 1 3.052 0.05 . 2 . . . . 291 LYS HE2 . 15734 1 1559 . 1 1 139 139 LYS HG2 H 1 1.580 0.05 . 2 . . . . 291 LYS HG1 . 15734 1 1560 . 1 1 139 139 LYS HG3 H 1 1.570 0.05 . 2 . . . . 291 LYS HG2 . 15734 1 1561 . 1 1 139 139 LYS CA C 13 59.400 0.5 . 1 . . . . 291 LYS CA . 15734 1 1562 . 1 1 139 139 LYS CB C 13 32.500 0.5 . 1 . . . . 291 LYS CB . 15734 1 1563 . 1 1 139 139 LYS CD C 13 29.300 0.5 . 1 . . . . 291 LYS CD . 15734 1 1564 . 1 1 139 139 LYS CE C 13 42.300 0.5 . 1 . . . . 291 LYS CE . 15734 1 1565 . 1 1 139 139 LYS CG C 13 25.400 0.5 . 1 . . . . 291 LYS CG . 15734 1 1566 . 1 1 139 139 LYS N N 15 119.300 0.5 . 1 . . . . 291 LYS N . 15734 1 1567 . 1 1 140 140 ASP H H 1 7.710 0.05 . 1 . . . . 292 ASP HN . 15734 1 1568 . 1 1 140 140 ASP HA H 1 4.292 0.05 . 1 . . . . 292 ASP HA . 15734 1 1569 . 1 1 140 140 ASP HB2 H 1 2.542 0.05 . 2 . . . . 292 ASP HB1 . 15734 1 1570 . 1 1 140 140 ASP HB3 H 1 3.452 0.05 . 2 . . . . 292 ASP HB2 . 15734 1 1571 . 1 1 140 140 ASP C C 13 178.300 0.5 . 1 . . . . 292 ASP C . 15734 1 1572 . 1 1 140 140 ASP CA C 13 57.886 0.5 . 1 . . . . 292 ASP CA . 15734 1 1573 . 1 1 140 140 ASP CB C 13 41.118 0.5 . 1 . . . . 292 ASP CB . 15734 1 1574 . 1 1 140 140 ASP N N 15 119.320 0.5 . 1 . . . . 292 ASP N . 15734 1 1575 . 1 1 141 141 PHE H H 1 8.820 0.05 . 1 . . . . 293 PHE HN . 15734 1 1576 . 1 1 141 141 PHE HA H 1 4.662 0.05 . 1 . . . . 293 PHE HA . 15734 1 1577 . 1 1 141 141 PHE HB2 H 1 3.482 0.05 . 2 . . . . 293 PHE HB1 . 15734 1 1578 . 1 1 141 141 PHE HB3 H 1 3.452 0.05 . 2 . . . . 293 PHE HB2 . 15734 1 1579 . 1 1 141 141 PHE HD1 H 1 7.230 0.05 . 3 . . . . 293 PHE HD1 . 15734 1 1580 . 1 1 141 141 PHE HE1 H 1 7.180 0.05 . 3 . . . . 293 PHE HE1 . 15734 1 1581 . 1 1 141 141 PHE CA C 13 58.139 0.5 . 1 . . . . 293 PHE CA . 15734 1 1582 . 1 1 141 141 PHE CB C 13 39.133 0.5 . 1 . . . . 293 PHE CB . 15734 1 1583 . 1 1 141 141 PHE CD1 C 13 130.600 0.5 . 3 . . . . 293 PHE CD1 . 15734 1 1584 . 1 1 141 141 PHE CE1 C 13 130.600 0.5 . 3 . . . . 293 PHE CE1 . 15734 1 1585 . 1 1 141 141 PHE N N 15 119.481 0.5 . 1 . . . . 293 PHE N . 15734 1 1586 . 1 1 142 142 ALA H H 1 8.150 0.05 . 1 . . . . 294 ALA HN . 15734 1 1587 . 1 1 142 142 ALA HA H 1 3.962 0.05 . 1 . . . . 294 ALA HA . 15734 1 1588 . 1 1 142 142 ALA HB1 H 1 1.632 0.05 . 1 . . . . 294 ALA HB1 . 15734 1 1589 . 1 1 142 142 ALA HB2 H 1 1.632 0.05 . 1 . . . . 294 ALA HB1 . 15734 1 1590 . 1 1 142 142 ALA HB3 H 1 1.632 0.05 . 1 . . . . 294 ALA HB1 . 15734 1 1591 . 1 1 142 142 ALA CA C 13 55.222 0.5 . 1 . . . . 294 ALA CA . 15734 1 1592 . 1 1 142 142 ALA CB C 13 18.700 0.5 . 1 . . . . 294 ALA CB . 15734 1 1593 . 1 1 142 142 ALA N N 15 117.711 0.5 . 1 . . . . 294 ALA N . 15734 1 1594 . 1 1 143 143 GLU H H 1 8.170 0.05 . 1 . . . . 295 GLU HN . 15734 1 1595 . 1 1 143 143 GLU HA H 1 4.022 0.05 . 1 . . . . 295 GLU HA . 15734 1 1596 . 1 1 143 143 GLU HB2 H 1 2.092 0.05 . 2 . . . . 295 GLU HB1 . 15734 1 1597 . 1 1 143 143 GLU HB3 H 1 2.262 0.05 . 2 . . . . 295 GLU HB2 . 15734 1 1598 . 1 1 143 143 GLU HG2 H 1 2.040 0.05 . 2 . . . . 295 GLU HG1 . 15734 1 1599 . 1 1 143 143 GLU HG3 H 1 2.300 0.05 . 2 . . . . 295 GLU HG2 . 15734 1 1600 . 1 1 143 143 GLU C C 13 179.100 0.5 . 1 . . . . 295 GLU C . 15734 1 1601 . 1 1 143 143 GLU CA C 13 59.558 0.5 . 1 . . . . 295 GLU CA . 15734 1 1602 . 1 1 143 143 GLU CB C 13 29.466 0.5 . 1 . . . . 295 GLU CB . 15734 1 1603 . 1 1 143 143 GLU CG C 13 36.200 0.5 . 1 . . . . 295 GLU CG . 15734 1 1604 . 1 1 143 143 GLU N N 15 118.515 0.5 . 1 . . . . 295 GLU N . 15734 1 1605 . 1 1 144 144 TYR H H 1 7.790 0.05 . 1 . . . . 296 TYR HN . 15734 1 1606 . 1 1 144 144 TYR HA H 1 4.342 0.05 . 1 . . . . 296 TYR HA . 15734 1 1607 . 1 1 144 144 TYR HB2 H 1 2.922 0.05 . 2 . . . . 296 TYR HB1 . 15734 1 1608 . 1 1 144 144 TYR HB3 H 1 2.922 0.05 . 2 . . . . 296 TYR HB2 . 15734 1 1609 . 1 1 144 144 TYR HD1 H 1 7.350 0.05 . 3 . . . . 296 TYR HD1 . 15734 1 1610 . 1 1 144 144 TYR HE1 H 1 6.720 0.05 . 3 . . . . 296 TYR HE1 . 15734 1 1611 . 1 1 144 144 TYR C C 13 179.000 0.5 . 1 . . . . 296 TYR C . 15734 1 1612 . 1 1 144 144 TYR CA C 13 62.200 0.5 . 1 . . . . 296 TYR CA . 15734 1 1613 . 1 1 144 144 TYR CB C 13 39.100 0.5 . 1 . . . . 296 TYR CB . 15734 1 1614 . 1 1 144 144 TYR CD1 C 13 132.700 0.5 . 3 . . . . 296 TYR CD1 . 15734 1 1615 . 1 1 144 144 TYR CE1 C 13 118.700 0.5 . 3 . . . . 296 TYR CE1 . 15734 1 1616 . 1 1 144 144 TYR N N 15 116.114 0.5 . 1 . . . . 296 TYR N . 15734 1 1617 . 1 1 145 145 LEU H H 1 8.550 0.05 . 1 . . . . 297 LEU HN . 15734 1 1618 . 1 1 145 145 LEU HA H 1 4.142 0.05 . 1 . . . . 297 LEU HA . 15734 1 1619 . 1 1 145 145 LEU HB2 H 1 1.282 0.05 . 2 . . . . 297 LEU HB1 . 15734 1 1620 . 1 1 145 145 LEU HB3 H 1 1.772 0.05 . 2 . . . . 297 LEU HB2 . 15734 1 1621 . 1 1 145 145 LEU HD11 H 1 -0.028 0.05 . 2 . . . . 297 LEU HD11 . 15734 1 1622 . 1 1 145 145 LEU HD12 H 1 -0.028 0.05 . 2 . . . . 297 LEU HD11 . 15734 1 1623 . 1 1 145 145 LEU HD13 H 1 -0.028 0.05 . 2 . . . . 297 LEU HD11 . 15734 1 1624 . 1 1 145 145 LEU HD21 H 1 0.532 0.05 . 2 . . . . 297 LEU HD21 . 15734 1 1625 . 1 1 145 145 LEU HD22 H 1 0.532 0.05 . 2 . . . . 297 LEU HD21 . 15734 1 1626 . 1 1 145 145 LEU HD23 H 1 0.532 0.05 . 2 . . . . 297 LEU HD21 . 15734 1 1627 . 1 1 145 145 LEU HG H 1 1.570 0.05 . 1 . . . . 297 LEU HG . 15734 1 1628 . 1 1 145 145 LEU C C 13 179.500 0.5 . 1 . . . . 297 LEU C . 15734 1 1629 . 1 1 145 145 LEU CA C 13 57.200 0.5 . 1 . . . . 297 LEU CA . 15734 1 1630 . 1 1 145 145 LEU CB C 13 40.861 0.5 . 1 . . . . 297 LEU CB . 15734 1 1631 . 1 1 145 145 LEU CD1 C 13 26.200 0.5 . 1 . . . . 297 LEU CD1 . 15734 1 1632 . 1 1 145 145 LEU CD2 C 13 22.000 0.5 . 1 . . . . 297 LEU CD2 . 15734 1 1633 . 1 1 145 145 LEU CG C 13 26.400 0.5 . 1 . . . . 297 LEU CG . 15734 1 1634 . 1 1 145 145 LEU N N 15 119.641 0.5 . 1 . . . . 297 LEU N . 15734 1 1635 . 1 1 146 146 ALA H H 1 7.770 0.05 . 1 . . . . 298 ALA HN . 15734 1 1636 . 1 1 146 146 ALA HA H 1 4.282 0.05 . 1 . . . . 298 ALA HA . 15734 1 1637 . 1 1 146 146 ALA HB1 H 1 1.522 0.05 . 1 . . . . 298 ALA HB1 . 15734 1 1638 . 1 1 146 146 ALA HB2 H 1 1.522 0.05 . 1 . . . . 298 ALA HB1 . 15734 1 1639 . 1 1 146 146 ALA HB3 H 1 1.522 0.05 . 1 . . . . 298 ALA HB1 . 15734 1 1640 . 1 1 146 146 ALA C C 13 180.800 0.5 . 1 . . . . 298 ALA C . 15734 1 1641 . 1 1 146 146 ALA CA C 13 54.900 0.5 . 1 . . . . 298 ALA CA . 15734 1 1642 . 1 1 146 146 ALA CB C 13 17.900 0.5 . 1 . . . . 298 ALA CB . 15734 1 1643 . 1 1 146 146 ALA N N 15 122.160 0.5 . 1 . . . . 298 ALA N . 15734 1 1644 . 1 1 147 147 PHE H H 1 7.350 0.05 . 1 . . . . 299 PHE HN . 15734 1 1645 . 1 1 147 147 PHE HA H 1 4.502 0.05 . 1 . . . . 299 PHE HA . 15734 1 1646 . 1 1 147 147 PHE HB2 H 1 3.032 0.05 . 2 . . . . 299 PHE HB1 . 15734 1 1647 . 1 1 147 147 PHE HB3 H 1 3.192 0.05 . 2 . . . . 299 PHE HB2 . 15734 1 1648 . 1 1 147 147 PHE HD1 H 1 7.132 0.05 . 3 . . . . 299 PHE HD1 . 15734 1 1649 . 1 1 147 147 PHE HE1 H 1 6.802 0.05 . 3 . . . . 299 PHE HE1 . 15734 1 1650 . 1 1 147 147 PHE CA C 13 59.100 0.5 . 1 . . . . 299 PHE CA . 15734 1 1651 . 1 1 147 147 PHE CB C 13 38.512 0.5 . 1 . . . . 299 PHE CB . 15734 1 1652 . 1 1 147 147 PHE N N 15 117.309 0.5 . 1 . . . . 299 PHE N . 15734 1 1653 . 1 1 148 148 CYS H H 1 7.910 0.05 . 1 . . . . 300 CYS HN . 15734 1 1654 . 1 1 148 148 CYS HA H 1 3.912 0.05 . 1 . . . . 300 CYS HA . 15734 1 1655 . 1 1 148 148 CYS HB2 H 1 2.842 0.05 . 2 . . . . 300 CYS HB1 . 15734 1 1656 . 1 1 148 148 CYS HB3 H 1 3.142 0.05 . 2 . . . . 300 CYS HB2 . 15734 1 1657 . 1 1 148 148 CYS CA C 13 62.800 0.5 . 1 . . . . 300 CYS CA . 15734 1 1658 . 1 1 148 148 CYS CB C 13 26.800 0.5 . 1 . . . . 300 CYS CB . 15734 1 1659 . 1 1 148 148 CYS N N 15 116.500 0.5 . 1 . . . . 300 CYS N . 15734 1 1660 . 1 1 149 149 GLY H H 1 8.330 0.05 . 1 . . . . 301 GLY HN . 15734 1 1661 . 1 1 149 149 GLY HA2 H 1 3.532 0.05 . 2 . . . . 301 GLY HA1 . 15734 1 1662 . 1 1 149 149 GLY HA3 H 1 4.052 0.05 . 2 . . . . 301 GLY HA2 . 15734 1 1663 . 1 1 149 149 GLY C C 13 175.300 0.5 . 1 . . . . 301 GLY C . 15734 1 1664 . 1 1 149 149 GLY CA C 13 47.625 0.5 . 1 . . . . 301 GLY CA . 15734 1 1665 . 1 1 149 149 GLY N N 15 105.740 0.5 . 1 . . . . 301 GLY N . 15734 1 1666 . 1 1 150 150 GLU H H 1 7.670 0.05 . 1 . . . . 302 GLU HN . 15734 1 1667 . 1 1 150 150 GLU HA H 1 4.302 0.05 . 1 . . . . 302 GLU HA . 15734 1 1668 . 1 1 150 150 GLU HB2 H 1 2.162 0.05 . 2 . . . . 302 GLU HB1 . 15734 1 1669 . 1 1 150 150 GLU HB3 H 1 2.162 0.05 . 2 . . . . 302 GLU HB2 . 15734 1 1670 . 1 1 150 150 GLU HG2 H 1 2.340 0.05 . 2 . . . . 302 GLU HG1 . 15734 1 1671 . 1 1 150 150 GLU HG3 H 1 2.390 0.05 . 2 . . . . 302 GLU HG2 . 15734 1 1672 . 1 1 150 150 GLU CA C 13 58.700 0.5 . 1 . . . . 302 GLU CA . 15734 1 1673 . 1 1 150 150 GLU CB C 13 29.600 0.5 . 1 . . . . 302 GLU CB . 15734 1 1674 . 1 1 150 150 GLU CG C 13 35.900 0.5 . 1 . . . . 302 GLU CG . 15734 1 1675 . 1 1 150 150 GLU N N 15 119.300 0.5 . 1 . . . . 302 GLU N . 15734 1 1676 . 1 1 152 152 LEU CA C 13 53.800 0.5 . 1 . . . . 304 LEU CA . 15734 1 1677 . 1 1 152 152 LEU CB C 13 42.400 0.5 . 1 . . . . 304 LEU CB . 15734 1 1678 . 1 1 152 152 LEU CD1 C 13 23.100 0.5 . 1 . . . . 304 LEU CD1 . 15734 1 1679 . 1 1 152 152 LEU CD2 C 13 23.100 0.5 . 1 . . . . 304 LEU CD2 . 15734 1 1680 . 1 1 152 152 LEU CG C 13 24.700 0.5 . 1 . . . . 304 LEU CG . 15734 1 1681 . 1 1 153 153 HIS H H 1 8.090 0.05 . 1 . . . . 305 HIS HN . 15734 1 1682 . 1 1 153 153 HIS HA H 1 4.572 0.05 . 1 . . . . 305 HIS HA . 15734 1 1683 . 1 1 153 153 HIS HB2 H 1 2.992 0.05 . 2 . . . . 305 HIS HB1 . 15734 1 1684 . 1 1 153 153 HIS HB3 H 1 3.032 0.05 . 2 . . . . 305 HIS HB2 . 15734 1 1685 . 1 1 153 153 HIS HD2 H 1 6.932 0.05 . 3 . . . . 305 HIS HD2 . 15734 1 1686 . 1 1 153 153 HIS HE1 H 1 7.852 0.05 . 3 . . . . 305 HIS HE1 . 15734 1 1687 . 1 1 153 153 HIS CA C 13 56.300 0.5 . 1 . . . . 305 HIS CA . 15734 1 1688 . 1 1 153 153 HIS CB C 13 31.000 0.5 . 1 . . . . 305 HIS CB . 15734 1 1689 . 1 1 153 153 HIS N N 15 120.900 0.5 . 1 . . . . 305 HIS N . 15734 1 1690 . 1 1 155 155 ALA HA H 1 4.272 0.05 . 1 . . . . 307 ALA HA . 15734 1 1691 . 1 1 155 155 ALA HB1 H 1 1.532 0.05 . 1 . . . . 307 ALA HB1 . 15734 1 1692 . 1 1 155 155 ALA HB2 H 1 1.532 0.05 . 1 . . . . 307 ALA HB1 . 15734 1 1693 . 1 1 155 155 ALA HB3 H 1 1.532 0.05 . 1 . . . . 307 ALA HB1 . 15734 1 1694 . 1 1 155 155 ALA C C 13 178.700 0.5 . 1 . . . . 307 ALA C . 15734 1 1695 . 1 1 155 155 ALA CA C 13 54.402 0.5 . 1 . . . . 307 ALA CA . 15734 1 1696 . 1 1 155 155 ALA CB C 13 19.300 0.5 . 1 . . . . 307 ALA CB . 15734 1 1697 . 1 1 156 156 GLN H H 1 7.990 0.05 . 1 . . . . 308 GLN HN . 15734 1 1698 . 1 1 156 156 GLN HA H 1 4.252 0.05 . 1 . . . . 308 GLN HA . 15734 1 1699 . 1 1 156 156 GLN HB2 H 1 2.162 0.05 . 2 . . . . 308 GLN HB1 . 15734 1 1700 . 1 1 156 156 GLN HB3 H 1 2.162 0.05 . 2 . . . . 308 GLN HB2 . 15734 1 1701 . 1 1 156 156 GLN HG2 H 1 2.480 0.05 . 2 . . . . 308 GLN HG1 . 15734 1 1702 . 1 1 156 156 GLN HG3 H 1 2.380 0.05 . 2 . . . . 308 GLN HG2 . 15734 1 1703 . 1 1 156 156 GLN CA C 13 57.651 0.5 . 1 . . . . 308 GLN CA . 15734 1 1704 . 1 1 156 156 GLN CB C 13 28.700 0.5 . 1 . . . . 308 GLN CB . 15734 1 1705 . 1 1 156 156 GLN CG C 13 34.000 0.5 . 1 . . . . 308 GLN CG . 15734 1 1706 . 1 1 156 156 GLN N N 15 117.384 0.5 . 1 . . . . 308 GLN N . 15734 1 1707 . 1 1 157 157 LEU H H 1 7.880 0.05 . 1 . . . . 309 LEU HN . 15734 1 1708 . 1 1 157 157 LEU HA H 1 4.182 0.05 . 1 . . . . 309 LEU HA . 15734 1 1709 . 1 1 157 157 LEU CA C 13 55.000 0.5 . 1 . . . . 309 LEU CA . 15734 1 1710 . 1 1 157 157 LEU CB C 13 42.100 0.5 . 1 . . . . 309 LEU CB . 15734 1 1711 . 1 1 157 157 LEU CD1 C 13 26.300 0.5 . 1 . . . . 309 LEU CD1 . 15734 1 1712 . 1 1 157 157 LEU CD2 C 13 23.900 0.5 . 1 . . . . 309 LEU CD2 . 15734 1 1713 . 1 1 157 157 LEU CG C 13 27.200 0.5 . 1 . . . . 309 LEU CG . 15734 1 1714 . 1 1 157 157 LEU N N 15 120.125 0.5 . 1 . . . . 309 LEU N . 15734 1 1715 . 1 1 158 158 TYR CA C 13 54.200 0.5 . 1 . . . . 310 TYR CA . 15734 1 1716 . 1 1 158 158 TYR CB C 13 38.200 0.5 . 1 . . . . 310 TYR CB . 15734 1 1717 . 1 1 159 159 GLU C C 13 177.800 0.5 . 1 . . . . 311 GLU C . 15734 1 1718 . 1 1 159 159 GLU CA C 13 57.800 0.5 . 1 . . . . 311 GLU CA . 15734 1 1719 . 1 1 159 159 GLU CB C 13 30.100 0.5 . 1 . . . . 311 GLU CB . 15734 1 1720 . 1 1 159 159 GLU N N 15 117.600 0.5 . 1 . . . . 311 GLU N . 15734 1 1721 . 1 1 160 160 THR H H 1 8.140 0.05 . 1 . . . . 312 THR HN . 15734 1 1722 . 1 1 160 160 THR HA H 1 4.244 0.05 . 1 . . . . 312 THR HA . 15734 1 1723 . 1 1 160 160 THR HB H 1 4.312 0.05 . 1 . . . . 312 THR HB . 15734 1 1724 . 1 1 160 160 THR HG21 H 1 1.270 0.05 . 1 . . . . 312 THR HG21 . 15734 1 1725 . 1 1 160 160 THR HG22 H 1 1.270 0.05 . 1 . . . . 312 THR HG21 . 15734 1 1726 . 1 1 160 160 THR HG23 H 1 1.270 0.05 . 1 . . . . 312 THR HG21 . 15734 1 1727 . 1 1 160 160 THR CA C 13 63.874 0.5 . 1 . . . . 312 THR CA . 15734 1 1728 . 1 1 160 160 THR CB C 13 69.500 0.5 . 1 . . . . 312 THR CB . 15734 1 1729 . 1 1 160 160 THR CG2 C 13 21.900 0.5 . 1 . . . . 312 THR CG2 . 15734 1 1730 . 1 1 160 160 THR N N 15 113.933 0.5 . 1 . . . . 312 THR N . 15734 1 1731 . 1 1 161 161 SER H H 1 8.150 0.05 . 1 . . . . 313 SER HN . 15734 1 1732 . 1 1 161 161 SER HA H 1 4.282 0.05 . 1 . . . . 313 SER HA . 15734 1 1733 . 1 1 161 161 SER HB2 H 1 3.952 0.05 . 2 . . . . 313 SER HB1 . 15734 1 1734 . 1 1 161 161 SER HB3 H 1 4.432 0.05 . 2 . . . . 313 SER HB2 . 15734 1 1735 . 1 1 161 161 SER HG H 1 3.960 0.05 . 1 . . . . 313 SER HG . 15734 1 1736 . 1 1 161 161 SER C C 13 175.200 0.5 . 1 . . . . 313 SER C . 15734 1 1737 . 1 1 161 161 SER CA C 13 59.947 0.5 . 1 . . . . 313 SER CA . 15734 1 1738 . 1 1 161 161 SER CB C 13 63.500 0.5 . 1 . . . . 313 SER CB . 15734 1 1739 . 1 1 161 161 SER N N 15 117.711 0.5 . 1 . . . . 313 SER N . 15734 1 1740 . 1 1 162 162 LEU H H 1 7.890 0.05 . 1 . . . . 314 LEU HN . 15734 1 1741 . 1 1 162 162 LEU HA H 1 4.262 0.05 . 1 . . . . 314 LEU HA . 15734 1 1742 . 1 1 162 162 LEU CA C 13 56.332 0.5 . 1 . . . . 314 LEU CA . 15734 1 1743 . 1 1 162 162 LEU CB C 13 41.698 0.5 . 1 . . . . 314 LEU CB . 15734 1 1744 . 1 1 162 162 LEU CD1 C 13 25.200 0.5 . 1 . . . . 314 LEU CD1 . 15734 1 1745 . 1 1 162 162 LEU CD2 C 13 23.600 0.5 . 1 . . . . 314 LEU CD2 . 15734 1 1746 . 1 1 162 162 LEU CG C 13 27.000 0.5 . 1 . . . . 314 LEU CG . 15734 1 1747 . 1 1 162 162 LEU N N 15 122.666 0.5 . 1 . . . . 314 LEU N . 15734 1 1748 . 1 1 163 163 LEU H H 1 7.820 0.05 . 1 . . . . 315 LEU HN . 15734 1 1749 . 1 1 163 163 LEU HA H 1 4.262 0.05 . 1 . . . . 315 LEU HA . 15734 1 1750 . 1 1 163 163 LEU HD11 H 1 0.922 0.05 . 2 . . . . 315 LEU HD11 . 15734 1 1751 . 1 1 163 163 LEU HD12 H 1 0.922 0.05 . 2 . . . . 315 LEU HD11 . 15734 1 1752 . 1 1 163 163 LEU HD13 H 1 0.922 0.05 . 2 . . . . 315 LEU HD11 . 15734 1 1753 . 1 1 163 163 LEU HD21 H 1 0.852 0.05 . 2 . . . . 315 LEU HD21 . 15734 1 1754 . 1 1 163 163 LEU HD22 H 1 0.852 0.05 . 2 . . . . 315 LEU HD21 . 15734 1 1755 . 1 1 163 163 LEU HD23 H 1 0.852 0.05 . 2 . . . . 315 LEU HD21 . 15734 1 1756 . 1 1 163 163 LEU CA C 13 55.964 0.5 . 1 . . . . 315 LEU CA . 15734 1 1757 . 1 1 163 163 LEU CB C 13 41.851 0.5 . 1 . . . . 315 LEU CB . 15734 1 1758 . 1 1 163 163 LEU CD1 C 13 25.300 0.5 . 1 . . . . 315 LEU CD1 . 15734 1 1759 . 1 1 163 163 LEU CD2 C 13 23.800 0.5 . 1 . . . . 315 LEU CD2 . 15734 1 1760 . 1 1 163 163 LEU CG C 13 26.900 0.5 . 1 . . . . 315 LEU CG . 15734 1 1761 . 1 1 163 163 LEU N N 15 120.047 0.5 . 1 . . . . 315 LEU N . 15734 1 1762 . 1 1 164 164 GLU H H 1 8.080 0.05 . 1 . . . . 316 GLU HN . 15734 1 1763 . 1 1 164 164 GLU CA C 13 57.169 0.5 . 1 . . . . 316 GLU CA . 15734 1 1764 . 1 1 164 164 GLU CB C 13 30.097 0.5 . 1 . . . . 316 GLU CB . 15734 1 1765 . 1 1 164 164 GLU N N 15 119.575 0.5 . 1 . . . . 316 GLU N . 15734 1 stop_ save_