data_7313 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 7313 _Study_list.ID 1 loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID . Integrin 7313 1 . 'Pactolus I-domain' 7313 1 . 'Sequential backbone assignment' 7313 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7313 _Entry.Title ; 1H, 13C and 15N Backbone Resonance Assignments of the Pactolus I domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-10-09 _Entry.Accession_date 2006-10-09 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details '1H, 13C and 15N Backbone Resonance Assignments of the Pactolus I domain' _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 Mehmet Sen . . . 7313 2 Glen Legge . B. . 7313 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'University of Houston, Biology and Biochemistry Dept.' . 7313 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7313 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 482 7313 '15N chemical shifts' 161 7313 '1H chemical shifts' 161 7313 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 . . 2008-05-12 2006-10-09 update BMRB 'complete entry citation' 7313 1 . . 2007-06-20 2006-10-09 original author 'original release' 7313 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2IUE 'BMRB Entry Tracking System' 7313 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7313 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17523188 _Citation.Full_citation . _Citation.Title 'Pactolus I-domain: Functional switching of the Rossmann fold' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full . _Citation.Journal_volume 68 _Citation.Journal_issue 3 _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 626 _Citation.Page_last 635 _Citation.Year 2007 _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 Mehmet Sen . . . 7313 1 2 Glen Legge . B. . 7313 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID integrin 7313 1 NMR 7313 1 Pactolus 7313 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7313 _Assembly.ID 1 _Assembly.Name 'Pactolus I-domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass 25367 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 7313 1 stop_ 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 I-domain 1 $Pactolus_I-domain . . yes native no no . . . 7313 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 112 112 SG . 1 . 1 CYS 152 152 SG . . . . . . . . . . 7313 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . Genebank AF051367 . . . . . . 7313 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'apoptasis marker for neutrophils' 7313 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Pactolus_I-domain _Entity.Sf_category entity _Entity.Sf_framecode Pactolus_I-domain _Entity.Entry_ID 7313 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Pactolus I-domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSHHHHHHGLVPRGSHDNS VDLYFLMGLSGSAQGHLSNV QTLGSDLLKALNEISRSGRI GFGSIVNMTFQHILKLTADS SQFQRELRKQLVSGKLATPK GQLDAVVQVAICLGEIGWRN GTRFLVLVTDNDFHLAKDKT LGTRQNTSDGRCHLDDGMYR SRGEPDYQSVVQLASKLAEN NIQPIFVVPSRMVKTYEKLT TFIPKLTIGELSDDSSNVAQ LIRNAYSKLS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'This sequence contains hexameric Histidine Tag' _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 230 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 25366 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 2IUE . "Pactolus I-Domain: Functional Switching Of The Rossmann Fold" . . . . . 92.17 212 100.00 100.00 2.43e-152 . . . . 7313 1 2 no DBJ BAE23399 . "unnamed protein product [Mus musculus]" . . . . . 93.48 738 99.07 99.53 1.30e-146 . . . . 7313 1 3 no GB AAC25502 . "pactolus [Mus musculus]" . . . . . 93.48 738 99.07 99.53 1.52e-146 . . . . 7313 1 4 no GB AAI13143 . "Integrin beta 2-like [Mus musculus]" . . . . . 93.48 738 99.07 99.53 1.52e-146 . . . . 7313 1 5 no GB EDL03670 . "integrin beta 2-like, isoform CRA_b [Mus musculus]" . . . . . 93.48 811 99.07 99.53 1.81e-145 . . . . 7313 1 6 no GB EDL03671 . "integrin beta 2-like, isoform CRA_c [Mus musculus]" . . . . . 93.48 738 99.07 99.53 1.52e-146 . . . . 7313 1 7 no REF NP_032431 . "integrin beta-2-like protein precursor [Mus musculus]" . . . . . 93.48 738 99.07 99.53 1.30e-146 . . . . 7313 1 8 no REF XP_006522988 . "PREDICTED: integrin beta 2-like isoform X1 [Mus musculus]" . . . . . 93.48 844 99.07 99.53 2.94e-145 . . . . 7313 1 9 no REF XP_006522989 . "PREDICTED: integrin beta 2-like isoform X2 [Mus musculus]" . . . . . 93.48 844 99.07 99.53 2.94e-145 . . . . 7313 1 10 no REF XP_006522990 . "PREDICTED: integrin beta 2-like isoform X3 [Mus musculus]" . . . . . 93.48 844 99.07 99.53 2.94e-145 . . . . 7313 1 11 no REF XP_006522991 . "PREDICTED: integrin beta 2-like isoform X4 [Mus musculus]" . . . . . 93.48 795 99.07 99.53 7.44e-146 . . . . 7313 1 12 no SP Q3UV74 . "RecName: Full=Integrin beta-2-like protein; AltName: Full=Protein pactolus; Flags: Precursor [Mus musculus]" . . . . . 93.48 738 99.07 99.53 1.30e-146 . . . . 7313 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'cellular elimation signals for neutrophils' 7313 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Pactolus I-domain' . 7313 1 stop_ loop_ _Entity_keyword.Keyword _Entity_keyword.Entry_ID _Entity_keyword.Entity_ID 'Inserted domain of Pactolus' 7313 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 1 107 GLY . 7313 1 2 108 SER . 7313 1 3 109 SER . 7313 1 4 110 HIS . 7313 1 5 111 HIS . 7313 1 6 112 HIS . 7313 1 7 113 HIS . 7313 1 8 114 HIS . 7313 1 9 115 HIS . 7313 1 10 116 GLY . 7313 1 11 117 LEU . 7313 1 12 118 VAL . 7313 1 13 119 PRO . 7313 1 14 120 ARG . 7313 1 15 121 GLY . 7313 1 16 122 SER . 7313 1 17 123 HIS . 7313 1 18 124 ASP . 7313 1 19 125 ASN . 7313 1 20 126 SER . 7313 1 21 127 VAL . 7313 1 22 128 ASP . 7313 1 23 129 LEU . 7313 1 24 130 TYR . 7313 1 25 131 PHE . 7313 1 26 132 LEU . 7313 1 27 133 MET . 7313 1 28 134 GLY . 7313 1 29 135 LEU . 7313 1 30 136 SER . 7313 1 31 137 GLY . 7313 1 32 138 SER . 7313 1 33 139 ALA . 7313 1 34 140 GLN . 7313 1 35 141 GLY . 7313 1 36 142 HIS . 7313 1 37 143 LEU . 7313 1 38 144 SER . 7313 1 39 145 ASN . 7313 1 40 146 VAL . 7313 1 41 147 GLN . 7313 1 42 148 THR . 7313 1 43 149 LEU . 7313 1 44 150 GLY . 7313 1 45 151 SER . 7313 1 46 152 ASP . 7313 1 47 153 LEU . 7313 1 48 154 LEU . 7313 1 49 155 LYS . 7313 1 50 156 ALA . 7313 1 51 157 LEU . 7313 1 52 158 ASN . 7313 1 53 159 GLU . 7313 1 54 160 ILE . 7313 1 55 161 SER . 7313 1 56 162 ARG . 7313 1 57 163 SER . 7313 1 58 164 GLY . 7313 1 59 165 ARG . 7313 1 60 166 ILE . 7313 1 61 167 GLY . 7313 1 62 168 PHE . 7313 1 63 169 GLY . 7313 1 64 170 SER . 7313 1 65 171 ILE . 7313 1 66 172 VAL . 7313 1 67 173 ASN . 7313 1 68 174 MET . 7313 1 69 175 THR . 7313 1 70 176 PHE . 7313 1 71 177 GLN . 7313 1 72 178 HIS . 7313 1 73 179 ILE . 7313 1 74 180 LEU . 7313 1 75 181 LYS . 7313 1 76 182 LEU . 7313 1 77 183 THR . 7313 1 78 184 ALA . 7313 1 79 185 ASP . 7313 1 80 186 SER . 7313 1 81 187 SER . 7313 1 82 188 GLN . 7313 1 83 189 PHE . 7313 1 84 190 GLN . 7313 1 85 191 ARG . 7313 1 86 192 GLU . 7313 1 87 193 LEU . 7313 1 88 194 ARG . 7313 1 89 195 LYS . 7313 1 90 196 GLN . 7313 1 91 197 LEU . 7313 1 92 198 VAL . 7313 1 93 199 SER . 7313 1 94 200 GLY . 7313 1 95 201 LYS . 7313 1 96 202 LEU . 7313 1 97 203 ALA . 7313 1 98 204 THR . 7313 1 99 205 PRO . 7313 1 100 206 LYS . 7313 1 101 207 GLY . 7313 1 102 208 GLN . 7313 1 103 209 LEU . 7313 1 104 210 ASP . 7313 1 105 211 ALA . 7313 1 106 212 VAL . 7313 1 107 213 VAL . 7313 1 108 214 GLN . 7313 1 109 215 VAL . 7313 1 110 216 ALA . 7313 1 111 217 ILE . 7313 1 112 218 CYS . 7313 1 113 219 LEU . 7313 1 114 220 GLY . 7313 1 115 221 GLU . 7313 1 116 222 ILE . 7313 1 117 223 GLY . 7313 1 118 224 TRP . 7313 1 119 225 ARG . 7313 1 120 226 ASN . 7313 1 121 227 GLY . 7313 1 122 228 THR . 7313 1 123 229 ARG . 7313 1 124 230 PHE . 7313 1 125 231 LEU . 7313 1 126 232 VAL . 7313 1 127 233 LEU . 7313 1 128 234 VAL . 7313 1 129 235 THR . 7313 1 130 236 ASP . 7313 1 131 237 ASN . 7313 1 132 238 ASP . 7313 1 133 239 PHE . 7313 1 134 240 HIS . 7313 1 135 241 LEU . 7313 1 136 242 ALA . 7313 1 137 243 LYS . 7313 1 138 244 ASP . 7313 1 139 245 LYS . 7313 1 140 246 THR . 7313 1 141 247 LEU . 7313 1 142 248 GLY . 7313 1 143 249 THR . 7313 1 144 250 ARG . 7313 1 145 251 GLN . 7313 1 146 252 ASN . 7313 1 147 253 THR . 7313 1 148 254 SER . 7313 1 149 255 ASP . 7313 1 150 256 GLY . 7313 1 151 257 ARG . 7313 1 152 258 CYS . 7313 1 153 259 HIS . 7313 1 154 260 LEU . 7313 1 155 261 ASP . 7313 1 156 262 ASP . 7313 1 157 263 GLY . 7313 1 158 264 MET . 7313 1 159 265 TYR . 7313 1 160 266 ARG . 7313 1 161 267 SER . 7313 1 162 268 ARG . 7313 1 163 269 GLY . 7313 1 164 270 GLU . 7313 1 165 271 PRO . 7313 1 166 272 ASP . 7313 1 167 273 TYR . 7313 1 168 274 GLN . 7313 1 169 275 SER . 7313 1 170 276 VAL . 7313 1 171 277 VAL . 7313 1 172 278 GLN . 7313 1 173 279 LEU . 7313 1 174 280 ALA . 7313 1 175 281 SER . 7313 1 176 282 LYS . 7313 1 177 283 LEU . 7313 1 178 284 ALA . 7313 1 179 285 GLU . 7313 1 180 286 ASN . 7313 1 181 287 ASN . 7313 1 182 288 ILE . 7313 1 183 289 GLN . 7313 1 184 290 PRO . 7313 1 185 291 ILE . 7313 1 186 292 PHE . 7313 1 187 293 VAL . 7313 1 188 294 VAL . 7313 1 189 295 PRO . 7313 1 190 296 SER . 7313 1 191 297 ARG . 7313 1 192 298 MET . 7313 1 193 299 VAL . 7313 1 194 300 LYS . 7313 1 195 301 THR . 7313 1 196 302 TYR . 7313 1 197 303 GLU . 7313 1 198 304 LYS . 7313 1 199 305 LEU . 7313 1 200 306 THR . 7313 1 201 307 THR . 7313 1 202 308 PHE . 7313 1 203 309 ILE . 7313 1 204 310 PRO . 7313 1 205 311 LYS . 7313 1 206 312 LEU . 7313 1 207 313 THR . 7313 1 208 314 ILE . 7313 1 209 315 GLY . 7313 1 210 316 GLU . 7313 1 211 317 LEU . 7313 1 212 318 SER . 7313 1 213 319 ASP . 7313 1 214 320 ASP . 7313 1 215 321 SER . 7313 1 216 322 SER . 7313 1 217 323 ASN . 7313 1 218 324 VAL . 7313 1 219 325 ALA . 7313 1 220 326 GLN . 7313 1 221 327 LEU . 7313 1 222 328 ILE . 7313 1 223 329 ARG . 7313 1 224 330 ASN . 7313 1 225 331 ALA . 7313 1 226 332 TYR . 7313 1 227 333 SER . 7313 1 228 334 LYS . 7313 1 229 335 LEU . 7313 1 230 336 SER . 7313 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 . GLY 1 1 7313 1 . SER 2 2 7313 1 . SER 3 3 7313 1 . HIS 4 4 7313 1 . HIS 5 5 7313 1 . HIS 6 6 7313 1 . HIS 7 7 7313 1 . HIS 8 8 7313 1 . HIS 9 9 7313 1 . GLY 10 10 7313 1 . LEU 11 11 7313 1 . VAL 12 12 7313 1 . PRO 13 13 7313 1 . ARG 14 14 7313 1 . GLY 15 15 7313 1 . SER 16 16 7313 1 . HIS 17 17 7313 1 . ASP 18 18 7313 1 . ASN 19 19 7313 1 . SER 20 20 7313 1 . VAL 21 21 7313 1 . ASP 22 22 7313 1 . LEU 23 23 7313 1 . TYR 24 24 7313 1 . PHE 25 25 7313 1 . LEU 26 26 7313 1 . MET 27 27 7313 1 . GLY 28 28 7313 1 . LEU 29 29 7313 1 . SER 30 30 7313 1 . GLY 31 31 7313 1 . SER 32 32 7313 1 . ALA 33 33 7313 1 . GLN 34 34 7313 1 . GLY 35 35 7313 1 . HIS 36 36 7313 1 . LEU 37 37 7313 1 . SER 38 38 7313 1 . ASN 39 39 7313 1 . VAL 40 40 7313 1 . GLN 41 41 7313 1 . THR 42 42 7313 1 . LEU 43 43 7313 1 . GLY 44 44 7313 1 . SER 45 45 7313 1 . ASP 46 46 7313 1 . LEU 47 47 7313 1 . LEU 48 48 7313 1 . LYS 49 49 7313 1 . ALA 50 50 7313 1 . LEU 51 51 7313 1 . ASN 52 52 7313 1 . GLU 53 53 7313 1 . ILE 54 54 7313 1 . SER 55 55 7313 1 . ARG 56 56 7313 1 . SER 57 57 7313 1 . GLY 58 58 7313 1 . ARG 59 59 7313 1 . ILE 60 60 7313 1 . GLY 61 61 7313 1 . PHE 62 62 7313 1 . GLY 63 63 7313 1 . SER 64 64 7313 1 . ILE 65 65 7313 1 . VAL 66 66 7313 1 . ASN 67 67 7313 1 . MET 68 68 7313 1 . THR 69 69 7313 1 . PHE 70 70 7313 1 . GLN 71 71 7313 1 . HIS 72 72 7313 1 . ILE 73 73 7313 1 . LEU 74 74 7313 1 . LYS 75 75 7313 1 . LEU 76 76 7313 1 . THR 77 77 7313 1 . ALA 78 78 7313 1 . ASP 79 79 7313 1 . SER 80 80 7313 1 . SER 81 81 7313 1 . GLN 82 82 7313 1 . PHE 83 83 7313 1 . GLN 84 84 7313 1 . ARG 85 85 7313 1 . GLU 86 86 7313 1 . LEU 87 87 7313 1 . ARG 88 88 7313 1 . LYS 89 89 7313 1 . GLN 90 90 7313 1 . LEU 91 91 7313 1 . VAL 92 92 7313 1 . SER 93 93 7313 1 . GLY 94 94 7313 1 . LYS 95 95 7313 1 . LEU 96 96 7313 1 . ALA 97 97 7313 1 . THR 98 98 7313 1 . PRO 99 99 7313 1 . LYS 100 100 7313 1 . GLY 101 101 7313 1 . GLN 102 102 7313 1 . LEU 103 103 7313 1 . ASP 104 104 7313 1 . ALA 105 105 7313 1 . VAL 106 106 7313 1 . VAL 107 107 7313 1 . GLN 108 108 7313 1 . VAL 109 109 7313 1 . ALA 110 110 7313 1 . ILE 111 111 7313 1 . CYS 112 112 7313 1 . LEU 113 113 7313 1 . GLY 114 114 7313 1 . GLU 115 115 7313 1 . ILE 116 116 7313 1 . GLY 117 117 7313 1 . TRP 118 118 7313 1 . ARG 119 119 7313 1 . ASN 120 120 7313 1 . GLY 121 121 7313 1 . THR 122 122 7313 1 . ARG 123 123 7313 1 . PHE 124 124 7313 1 . LEU 125 125 7313 1 . VAL 126 126 7313 1 . LEU 127 127 7313 1 . VAL 128 128 7313 1 . THR 129 129 7313 1 . ASP 130 130 7313 1 . ASN 131 131 7313 1 . ASP 132 132 7313 1 . PHE 133 133 7313 1 . HIS 134 134 7313 1 . LEU 135 135 7313 1 . ALA 136 136 7313 1 . LYS 137 137 7313 1 . ASP 138 138 7313 1 . LYS 139 139 7313 1 . THR 140 140 7313 1 . LEU 141 141 7313 1 . GLY 142 142 7313 1 . THR 143 143 7313 1 . ARG 144 144 7313 1 . GLN 145 145 7313 1 . ASN 146 146 7313 1 . THR 147 147 7313 1 . SER 148 148 7313 1 . ASP 149 149 7313 1 . GLY 150 150 7313 1 . ARG 151 151 7313 1 . CYS 152 152 7313 1 . HIS 153 153 7313 1 . LEU 154 154 7313 1 . ASP 155 155 7313 1 . ASP 156 156 7313 1 . GLY 157 157 7313 1 . MET 158 158 7313 1 . TYR 159 159 7313 1 . ARG 160 160 7313 1 . SER 161 161 7313 1 . ARG 162 162 7313 1 . GLY 163 163 7313 1 . GLU 164 164 7313 1 . PRO 165 165 7313 1 . ASP 166 166 7313 1 . TYR 167 167 7313 1 . GLN 168 168 7313 1 . SER 169 169 7313 1 . VAL 170 170 7313 1 . VAL 171 171 7313 1 . GLN 172 172 7313 1 . LEU 173 173 7313 1 . ALA 174 174 7313 1 . SER 175 175 7313 1 . LYS 176 176 7313 1 . LEU 177 177 7313 1 . ALA 178 178 7313 1 . GLU 179 179 7313 1 . ASN 180 180 7313 1 . ASN 181 181 7313 1 . ILE 182 182 7313 1 . GLN 183 183 7313 1 . PRO 184 184 7313 1 . ILE 185 185 7313 1 . PHE 186 186 7313 1 . VAL 187 187 7313 1 . VAL 188 188 7313 1 . PRO 189 189 7313 1 . SER 190 190 7313 1 . ARG 191 191 7313 1 . MET 192 192 7313 1 . VAL 193 193 7313 1 . LYS 194 194 7313 1 . THR 195 195 7313 1 . TYR 196 196 7313 1 . GLU 197 197 7313 1 . LYS 198 198 7313 1 . LEU 199 199 7313 1 . THR 200 200 7313 1 . THR 201 201 7313 1 . PHE 202 202 7313 1 . ILE 203 203 7313 1 . PRO 204 204 7313 1 . LYS 205 205 7313 1 . LEU 206 206 7313 1 . THR 207 207 7313 1 . ILE 208 208 7313 1 . GLY 209 209 7313 1 . GLU 210 210 7313 1 . LEU 211 211 7313 1 . SER 212 212 7313 1 . ASP 213 213 7313 1 . ASP 214 214 7313 1 . SER 215 215 7313 1 . SER 216 216 7313 1 . ASN 217 217 7313 1 . VAL 218 218 7313 1 . ALA 219 219 7313 1 . GLN 220 220 7313 1 . LEU 221 221 7313 1 . ILE 222 222 7313 1 . ARG 223 223 7313 1 . ASN 224 224 7313 1 . ALA 225 225 7313 1 . TYR 226 226 7313 1 . SER 227 227 7313 1 . LYS 228 228 7313 1 . LEU 229 229 7313 1 . SER 230 230 7313 1 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 7313 _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 $Pactolus_I-domain . 10090 organism no . Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 7313 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 7313 _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 $Pactolus_I-domain . 'recombinant technology' . 'E. coli' . . . . . . . . . . . . . . . . . . . . . . . . pet28a . . 7313 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_triple_labelled_sample _Sample.Sf_category sample _Sample.Sf_framecode triple_labelled_sample _Sample.Entry_ID 7313 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system . _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 'Pactolus I-domain' '[U-99% 2H; U-99% 15N; U-99% 13C]' . . 1 $Pactolus_I-domain . protein 0.3 0.29 0.31 mM 0.01 . . . 7313 1 2 dTris . . . . . . salt 10 . . mM . . . . 7313 1 3 NaN3 . . . . . . . 0.05 . . % . . . . 7313 1 4 D20 . . . . . . . 5 . . % . . . . 7313 1 stop_ save_ save_double_labelled_sample _Sample.Sf_category sample _Sample.Sf_framecode double_labelled_sample _Sample.Entry_ID 7313 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 2 _Sample.Solvent_system . _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 'Pactolus I-domain' '[U-99% 15N; U-99% 13C]' . . 1 $Pactolus_I-domain . protein 0.3 0.29 0.31 mM 0.01 . . . 7313 2 2 dTris . . . . . . salt 10 . . mM . . . . 7313 2 3 NaN3 . . . . . . . 0.05 . . % . . . . 7313 2 4 D20 . . . . . . . 5 . . % . . . . 7313 2 stop_ save_ save_15N_labelled_sample _Sample.Sf_category sample _Sample.Sf_framecode 15N_labelled_sample _Sample.Entry_ID 7313 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system . _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 'Pactolus I-domain' '[U-99% 15N]' . . 1 $Pactolus_I-domain . protein 0.3 0.29 0.31 mM 0.01 . . . 7313 3 2 dTris . . . . . . salt 10 . . mM . . . . 7313 3 3 NaN3 . . . . . . . 0.05 . . % . . . . 7313 3 4 D20 . . . . . . . 5 . . % . . . . 7313 3 stop_ save_ ####################### # Sample conditions # ####################### save_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions _Sample_condition_list.Entry_ID 7313 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; 10mM dTris (pH 6.8) 0.05%NaN3 5% D20 ; 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 'ionic strength' 10 0 mM 7313 1 pH 6.8 0.1 pH 7313 1 pressure 1 0 atm 7313 1 temperature 298 1 K 7313 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 7313 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details 'Delaglio e., al., 1995' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Data Processing' 7313 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 7313 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details 'Johnson et., al., 2004' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Data Analysis' 7313 2 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 7313 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Located at University of Houston-KECK NMR Center' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 7313 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'Located at University of Houston-KECK NMR Center' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7313 _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 HNCA no . . . . . . . . . . 1 $triple_labelled_sample . . . 1 $conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7313 1 2 HN(CO)CA no . . . . . . . . . . 1 $triple_labelled_sample . . . 1 $conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7313 1 3 HNCB no . . . . . . . . . . 1 $triple_labelled_sample . . . 1 $conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7313 1 4 HN(CO)CB no . . . . . . . . . . . . . . . 1 $conditions . . . . . . . . . . . . . . . . . . . . . 7313 1 5 HN(CA)CO no . . . . . . . . . . 1 $triple_labelled_sample . . . 1 $conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7313 1 6 HNCO no . . . . . . . . . . 1 $triple_labelled_sample . . . 1 $conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7313 1 7 HSQC-NOESY-HSQC no . . . . . . . . . . 1 $triple_labelled_sample . . . 1 $conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7313 1 8 CACB(CO)NH no . . . . . . . . . . 1 $triple_labelled_sample . . . 1 $conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7313 1 9 CN-NOESY no . . . . . . . . . . 1 $triple_labelled_sample . . . 1 $conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7313 1 10 N-TOCSY no . . . . . . . . . . 3 $15N_labelled_sample . . . 1 $conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7313 1 11 N-NOESY no . . . . . . . . . . 3 $15N_labelled_sample . . . 1 $conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 7313 1 12 HSQC no . . . . . . . . . . 3 $15N_labelled_sample . . . 1 $conditions . . . . . . . . . . . . . . . . . . . . . 7313 1 stop_ save_ save_HNCA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCA _NMR_spec_expt.Entry_ID 7313 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HN(CO)CA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HN(CO)CA _NMR_spec_expt.Entry_ID 7313 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCB _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCB _NMR_spec_expt.Entry_ID 7313 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HN(CO)CB _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HN(CO)CB _NMR_spec_expt.Entry_ID 7313 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HN(CO)CB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HN(CA)CO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HN(CA)CO _NMR_spec_expt.Entry_ID 7313 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HN(CA)CO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCO _NMR_spec_expt.Entry_ID 7313 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HSQC-NOESY-HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HSQC-NOESY-HSQC _NMR_spec_expt.Entry_ID 7313 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HSQC-NOESY-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_CACB(CO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CACB(CO)NH _NMR_spec_expt.Entry_ID 7313 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name CACB(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_CN-NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CN-NOESY _NMR_spec_expt.Entry_ID 7313 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name CN-NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_N-TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode N-TOCSY _NMR_spec_expt.Entry_ID 7313 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name N-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_N-NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode N-NOESY _NMR_spec_expt.Entry_ID 7313 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name N-NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HSQC _NMR_spec_expt.Entry_ID 7313 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7313 _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 C 13 Water protons . . . . ppm 4.7 internal indirect 0.25144 'in sample' . . 1 $entry_citation temperature . 1 $entry_citation 7313 1 H 1 TSP 'methyl protons' . . . . ppm 0.0 external indirect 1.00000 'in sample' . . 1 $entry_citation . . 1 $entry_citation 7313 1 N 15 Water protons . . . . ppm 4.7 internal indirect 0.10132 'in sample' . . 1 $entry_citation temperature . 1 $entry_citation 7313 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7313 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 'Sequential Backbone assignment of (HN, CA, CB, C) of Pactolus I-domain' _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 HNCA 1 $triple_labelled_sample isotropic 7313 1 2 HN(CO)CA 1 $triple_labelled_sample isotropic 7313 1 3 HNCB 1 $triple_labelled_sample isotropic 7313 1 4 HN(CO)CB 1 $triple_labelled_sample isotropic 7313 1 5 HN(CA)CO 1 $triple_labelled_sample isotropic 7313 1 6 HNCO 1 $triple_labelled_sample isotropic 7313 1 7 HSQC-NOESY-HSQC 1 $triple_labelled_sample isotropic 7313 1 8 CACB(CO)NH 1 $triple_labelled_sample isotropic 7313 1 9 CN-NOESY 2 $double_labelled_sample isotropic 7313 1 10 N-TOCSY 3 $15N_labelled_sample isotropic 7313 1 11 N-NOESY 3 $15N_labelled_sample isotropic 7313 1 12 HSQC 1 $triple_labelled_sample isotropic 7313 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 18 18 ASP H H 1 8.2 0.02 . 1 . . . . 124 ASP HN . 7313 1 2 . 1 1 18 18 ASP C C 13 172.7 0.1 . 1 . . . . 124 ASP C . 7313 1 3 . 1 1 18 18 ASP CA C 13 53.7 0.1 . 1 . . . . 124 ASP CA . 7313 1 4 . 1 1 18 18 ASP CB C 13 40.9 0.1 . 1 . . . . 124 ASP CB . 7313 1 5 . 1 1 18 18 ASP N N 15 119.4 0.02 . 1 . . . . 124 ASP N . 7313 1 6 . 1 1 19 19 ASN H H 1 8.8 0.02 . 1 . . . . 125 ASN HN . 7313 1 7 . 1 1 19 19 ASN C C 13 172.3 0.1 . 1 . . . . 125 ASN C . 7313 1 8 . 1 1 19 19 ASN CA C 13 52.5 0.1 . 1 . . . . 125 ASN CA . 7313 1 9 . 1 1 19 19 ASN CB C 13 38.4 0.1 . 1 . . . . 125 ASN CB . 7313 1 10 . 1 1 19 19 ASN N N 15 113.6 0.02 . 1 . . . . 125 ASN N . 7313 1 11 . 1 1 20 20 SER H H 1 8.4 0.02 . 1 . . . . 126 SER HN . 7313 1 12 . 1 1 20 20 SER C C 13 170.4 0.1 . 1 . . . . 126 SER C . 7313 1 13 . 1 1 20 20 SER CA C 13 59 0.1 . 1 . . . . 126 SER CA . 7313 1 14 . 1 1 20 20 SER CB C 13 63.7 0.1 . 1 . . . . 126 SER CB . 7313 1 15 . 1 1 20 20 SER N N 15 118.3 0.02 . 1 . . . . 126 SER N . 7313 1 16 . 1 1 21 21 VAL H H 1 7.2 0.02 . 1 . . . . 127 VAL HN . 7313 1 17 . 1 1 21 21 VAL C C 13 169.7 0.1 . 1 . . . . 127 VAL C . 7313 1 18 . 1 1 21 21 VAL CA C 13 61.2 0.1 . 1 . . . . 127 VAL CA . 7313 1 19 . 1 1 21 21 VAL CB C 13 34.1 0.1 . 1 . . . . 127 VAL CB . 7313 1 20 . 1 1 21 21 VAL N N 15 122.8 0.02 . 1 . . . . 127 VAL N . 7313 1 21 . 1 1 22 22 ASP H H 1 8.6 0.02 . 1 . . . . 128 ASP HN . 7313 1 22 . 1 1 22 22 ASP C C 13 171.9 0.1 . 1 . . . . 128 ASP C . 7313 1 23 . 1 1 22 22 ASP CA C 13 52.5 0.1 . 1 . . . . 128 ASP CA . 7313 1 24 . 1 1 22 22 ASP CB C 13 47.3 0.1 . 1 . . . . 128 ASP CB . 7313 1 25 . 1 1 22 22 ASP N N 15 128.5 0.02 . 1 . . . . 128 ASP N . 7313 1 26 . 1 1 23 23 LEU H H 1 8.8 0.02 . 1 . . . . 129 LEU HN . 7313 1 27 . 1 1 23 23 LEU CA C 13 54.3 0.1 . 1 . . . . 129 LEU CA . 7313 1 28 . 1 1 23 23 LEU CB C 13 45.8 0.1 . 1 . . . . 129 LEU CB . 7313 1 29 . 1 1 23 23 LEU N N 15 125.6 0.02 . 1 . . . . 129 LEU N . 7313 1 30 . 1 1 24 24 TYR H H 1 9.1 0.02 . 1 . . . . 130 TYR HN . 7313 1 31 . 1 1 24 24 TYR CA C 13 58.2 0.1 . 1 . . . . 130 TYR CA . 7313 1 32 . 1 1 24 24 TYR CB C 13 41.2 0.1 . 1 . . . . 130 TYR CB . 7313 1 33 . 1 1 24 24 TYR N N 15 128 0.02 . 1 . . . . 130 TYR N . 7313 1 34 . 1 1 25 25 PHE H H 1 8 0.02 . 1 . . . . 131 PHE HN . 7313 1 35 . 1 1 25 25 PHE CA C 13 55.8 0.1 . 1 . . . . 131 PHE CA . 7313 1 36 . 1 1 25 25 PHE CB C 13 41 0.1 . 1 . . . . 131 PHE CB . 7313 1 37 . 1 1 25 25 PHE N N 15 132.9 0.02 . 1 . . . . 131 PHE N . 7313 1 38 . 1 1 26 26 LEU H H 1 9.3 0.02 . 1 . . . . 132 LEU HN . 7313 1 39 . 1 1 26 26 LEU C C 13 171.1 0.1 . 1 . . . . 132 LEU C . 7313 1 40 . 1 1 26 26 LEU CA C 13 53.7 0.1 . 1 . . . . 132 LEU CA . 7313 1 41 . 1 1 26 26 LEU CB C 13 44.5 0.1 . 1 . . . . 132 LEU CB . 7313 1 42 . 1 1 26 26 LEU N N 15 131.3 0.02 . 1 . . . . 132 LEU N . 7313 1 43 . 1 1 27 27 MET H H 1 8.4 0.02 . 1 . . . . 133 MET HN . 7313 1 44 . 1 1 27 27 MET C C 13 170.4 0.1 . 1 . . . . 133 MET C . 7313 1 45 . 1 1 27 27 MET CA C 13 54.5 0.1 . 1 . . . . 133 MET CA . 7313 1 46 . 1 1 27 27 MET CB C 13 35.2 0.1 . 1 . . . . 133 MET CB . 7313 1 47 . 1 1 27 27 MET N N 15 125.6 0.02 . 1 . . . . 133 MET N . 7313 1 48 . 1 1 28 28 GLY H H 1 9 0.02 . 1 . . . . 134 GLY HN . 7313 1 49 . 1 1 28 28 GLY CA C 13 46.3 0.1 . 1 . . . . 134 GLY CA . 7313 1 50 . 1 1 28 28 GLY N N 15 115.2 0.02 . 1 . . . . 134 GLY N . 7313 1 51 . 1 1 30 30 SER C C 13 172 0.1 . 1 . . . . 136 SER C . 7313 1 52 . 1 1 31 31 GLY H H 1 8.6 0.02 . 1 . . . . 137 GLY HN . 7313 1 53 . 1 1 31 31 GLY C C 13 171.8 0.1 . 1 . . . . 137 GLY C . 7313 1 54 . 1 1 31 31 GLY CA C 13 45.6 0.1 . 1 . . . . 137 GLY CA . 7313 1 55 . 1 1 31 31 GLY N N 15 108.6 0.02 . 1 . . . . 137 GLY N . 7313 1 56 . 1 1 32 32 SER H H 1 8.2 0.02 . 1 . . . . 138 SER HN . 7313 1 57 . 1 1 32 32 SER C C 13 171.6 0.1 . 1 . . . . 138 SER C . 7313 1 58 . 1 1 32 32 SER CA C 13 58.7 0.1 . 1 . . . . 138 SER CA . 7313 1 59 . 1 1 32 32 SER CB C 13 63.5 0.1 . 1 . . . . 138 SER CB . 7313 1 60 . 1 1 32 32 SER N N 15 115.8 0.02 . 1 . . . . 138 SER N . 7313 1 61 . 1 1 33 33 ALA H H 1 7.8 0.02 . 1 . . . . 139 ALA HN . 7313 1 62 . 1 1 33 33 ALA C C 13 174.7 0.1 . 1 . . . . 139 ALA C . 7313 1 63 . 1 1 33 33 ALA CA C 13 51.6 0.1 . 1 . . . . 139 ALA CA . 7313 1 64 . 1 1 33 33 ALA CB C 13 18.9 0.1 . 1 . . . . 139 ALA CB . 7313 1 65 . 1 1 33 33 ALA N N 15 125 0.02 . 1 . . . . 139 ALA N . 7313 1 66 . 1 1 36 36 HIS C C 13 173.8 0.1 . 1 . . . . 142 HIS C . 7313 1 67 . 1 1 36 36 HIS CA C 13 56.7 0.1 . 1 . . . . 142 HIS CA . 7313 1 68 . 1 1 36 36 HIS CB C 13 30.4 0.1 . 1 . . . . 142 HIS CB . 7313 1 69 . 1 1 37 37 LEU H H 1 7.7 0.02 . 1 . . . . 143 LEU HN . 7313 1 70 . 1 1 37 37 LEU C C 13 176.1 0.1 . 1 . . . . 143 LEU C . 7313 1 71 . 1 1 37 37 LEU CA C 13 58.1 0.1 . 1 . . . . 143 LEU CA . 7313 1 72 . 1 1 37 37 LEU CB C 13 40.1 0.1 . 1 . . . . 143 LEU CB . 7313 1 73 . 1 1 37 37 LEU N N 15 120 0.02 . 1 . . . . 143 LEU N . 7313 1 74 . 1 1 38 38 SER H H 1 8.2 0.02 . 1 . . . . 144 SER HN . 7313 1 75 . 1 1 38 38 SER C C 13 173.7 0.1 . 1 . . . . 144 SER C . 7313 1 76 . 1 1 38 38 SER CA C 13 60.7 0.1 . 1 . . . . 144 SER CA . 7313 1 77 . 1 1 38 38 SER N N 15 114.6 0.02 . 1 . . . . 144 SER N . 7313 1 78 . 1 1 39 39 ASN H H 1 8 0.02 . 1 . . . . 145 ASN HN . 7313 1 79 . 1 1 39 39 ASN C C 13 174.7 0.1 . 1 . . . . 145 ASN C . 7313 1 80 . 1 1 39 39 ASN CA C 13 54.8 0.1 . 1 . . . . 145 ASN CA . 7313 1 81 . 1 1 39 39 ASN CB C 13 38 0.1 . 1 . . . . 145 ASN CB . 7313 1 82 . 1 1 39 39 ASN N N 15 120.3 0.02 . 1 . . . . 145 ASN N . 7313 1 83 . 1 1 40 40 VAL H H 1 8.3 0.02 . 1 . . . . 146 VAL HN . 7313 1 84 . 1 1 40 40 VAL C C 13 173.9 0.1 . 1 . . . . 146 VAL C . 7313 1 85 . 1 1 40 40 VAL CA C 13 66.2 0.1 . 1 . . . . 146 VAL CA . 7313 1 86 . 1 1 40 40 VAL CB C 13 30.5 0.1 . 1 . . . . 146 VAL CB . 7313 1 87 . 1 1 40 40 VAL N N 15 121.3 0.02 . 1 . . . . 146 VAL N . 7313 1 88 . 1 1 41 41 GLN H H 1 7.7 0.02 . 1 . . . . 147 GLN HN . 7313 1 89 . 1 1 41 41 GLN C C 13 175.8 0.1 . 1 . . . . 147 GLN C . 7313 1 90 . 1 1 41 41 GLN CA C 13 59.3 0.1 . 1 . . . . 147 GLN CA . 7313 1 91 . 1 1 41 41 GLN CB C 13 28 0.1 . 1 . . . . 147 GLN CB . 7313 1 92 . 1 1 41 41 GLN N N 15 120.4 0.02 . 1 . . . . 147 GLN N . 7313 1 93 . 1 1 42 42 THR H H 1 8.1 0.02 . 1 . . . . 148 THR HN . 7313 1 94 . 1 1 42 42 THR C C 13 171.4 0.1 . 1 . . . . 148 THR C . 7313 1 95 . 1 1 42 42 THR CA C 13 65.6 0.1 . 1 . . . . 148 THR CA . 7313 1 96 . 1 1 42 42 THR CB C 13 68.2 0.1 . 1 . . . . 148 THR CB . 7313 1 97 . 1 1 42 42 THR N N 15 117.2 0.02 . 1 . . . . 148 THR N . 7313 1 98 . 1 1 43 43 LEU H H 1 8 0.02 . 1 . . . . 149 LEU HN . 7313 1 99 . 1 1 43 43 LEU C C 13 175.8 0.1 . 1 . . . . 149 LEU C . 7313 1 100 . 1 1 43 43 LEU CA C 13 58 0.1 . 1 . . . . 149 LEU CA . 7313 1 101 . 1 1 43 43 LEU CB C 13 40.7 0.1 . 1 . . . . 149 LEU CB . 7313 1 102 . 1 1 43 43 LEU N N 15 123.6 0.02 . 1 . . . . 149 LEU N . 7313 1 103 . 1 1 44 44 GLY H H 1 8.5 0.02 . 1 . . . . 150 GLY HN . 7313 1 104 . 1 1 44 44 GLY C C 13 171.6 0.1 . 1 . . . . 150 GLY C . 7313 1 105 . 1 1 44 44 GLY CA C 13 47.2 0.1 . 1 . . . . 150 GLY CA . 7313 1 106 . 1 1 44 44 GLY N N 15 104.9 0.02 . 1 . . . . 150 GLY N . 7313 1 107 . 1 1 45 45 SER H H 1 7.7 0.02 . 1 . . . . 151 SER HN . 7313 1 108 . 1 1 45 45 SER C C 13 174.2 0.1 . 1 . . . . 151 SER C . 7313 1 109 . 1 1 45 45 SER CA C 13 61.6 0.1 . 1 . . . . 151 SER CA . 7313 1 110 . 1 1 45 45 SER CB C 13 62.8 0.1 . 1 . . . . 151 SER CB . 7313 1 111 . 1 1 45 45 SER N N 15 116 0.02 . 1 . . . . 151 SER N . 7313 1 112 . 1 1 46 46 ASP H H 1 8.7 0.02 . 1 . . . . 152 ASP HN . 7313 1 113 . 1 1 46 46 ASP C C 13 176.8 0.1 . 1 . . . . 152 ASP C . 7313 1 114 . 1 1 46 46 ASP CA C 13 57 0.1 . 1 . . . . 152 ASP CA . 7313 1 115 . 1 1 46 46 ASP CB C 13 39.8 0.1 . 1 . . . . 152 ASP CB . 7313 1 116 . 1 1 46 46 ASP N N 15 124.5 0.02 . 1 . . . . 152 ASP N . 7313 1 117 . 1 1 47 47 LEU H H 1 8.6 0.02 . 1 . . . . 153 LEU HN . 7313 1 118 . 1 1 47 47 LEU C C 13 175.3 0.1 . 1 . . . . 153 LEU C . 7313 1 119 . 1 1 47 47 LEU CA C 13 57.3 0.1 . 1 . . . . 153 LEU CA . 7313 1 120 . 1 1 47 47 LEU CB C 13 40.6 0.1 . 1 . . . . 153 LEU CB . 7313 1 121 . 1 1 47 47 LEU N N 15 121.6 0.02 . 1 . . . . 153 LEU N . 7313 1 122 . 1 1 48 48 LEU H H 1 7.5 0.02 . 1 . . . . 154 LEU HN . 7313 1 123 . 1 1 48 48 LEU C C 13 175.8 0.1 . 1 . . . . 154 LEU C . 7313 1 124 . 1 1 48 48 LEU CA C 13 57.4 0.1 . 1 . . . . 154 LEU CA . 7313 1 125 . 1 1 48 48 LEU CB C 13 40.8 0.1 . 1 . . . . 154 LEU CB . 7313 1 126 . 1 1 48 48 LEU N N 15 119.4 0.02 . 1 . . . . 154 LEU N . 7313 1 127 . 1 1 49 49 LYS H H 1 7.6 0.02 . 1 . . . . 155 LYS HN . 7313 1 128 . 1 1 49 49 LYS C C 13 176 0.1 . 1 . . . . 155 LYS C . 7313 1 129 . 1 1 49 49 LYS CA C 13 59.1 0.1 . 1 . . . . 155 LYS CA . 7313 1 130 . 1 1 49 49 LYS CB C 13 31.6 0.1 . 1 . . . . 155 LYS CB . 7313 1 131 . 1 1 49 49 LYS N N 15 119.3 0.02 . 1 . . . . 155 LYS N . 7313 1 132 . 1 1 50 50 ALA H H 1 7.7 0.02 . 1 . . . . 156 ALA HN . 7313 1 133 . 1 1 50 50 ALA C C 13 176.3 0.1 . 1 . . . . 156 ALA C . 7313 1 134 . 1 1 50 50 ALA CA C 13 54.5 0.1 . 1 . . . . 156 ALA CA . 7313 1 135 . 1 1 50 50 ALA CB C 13 17.4 0.1 . 1 . . . . 156 ALA CB . 7313 1 136 . 1 1 50 50 ALA N N 15 121 0.02 . 1 . . . . 156 ALA N . 7313 1 137 . 1 1 51 51 LEU H H 1 8.2 0.02 . 1 . . . . 157 LEU HN . 7313 1 138 . 1 1 51 51 LEU C C 13 174.7 0.1 . 1 . . . . 157 LEU C . 7313 1 139 . 1 1 51 51 LEU CA C 13 57.3 0.1 . 1 . . . . 157 LEU CA . 7313 1 140 . 1 1 51 51 LEU CB C 13 41.8 0.1 . 1 . . . . 157 LEU CB . 7313 1 141 . 1 1 51 51 LEU N N 15 118.5 0.02 . 1 . . . . 157 LEU N . 7313 1 142 . 1 1 52 52 ASN H H 1 7.7 0.02 . 1 . . . . 158 ASN HN . 7313 1 143 . 1 1 52 52 ASN C C 13 173.4 0.1 . 1 . . . . 158 ASN C . 7313 1 144 . 1 1 52 52 ASN CA C 13 54.5 0.1 . 1 . . . . 158 ASN CA . 7313 1 145 . 1 1 52 52 ASN CB C 13 38.4 0.1 . 1 . . . . 158 ASN CB . 7313 1 146 . 1 1 52 52 ASN N N 15 114 0.02 . 1 . . . . 158 ASN N . 7313 1 147 . 1 1 53 53 GLU H H 1 7.6 0.02 . 1 . . . . 159 GLU HN . 7313 1 148 . 1 1 53 53 GLU C C 13 175.5 0.1 . 1 . . . . 159 GLU C . 7313 1 149 . 1 1 53 53 GLU CA C 13 57.7 0.1 . 1 . . . . 159 GLU CA . 7313 1 150 . 1 1 53 53 GLU CB C 13 29.6 0.1 . 1 . . . . 159 GLU CB . 7313 1 151 . 1 1 53 53 GLU N N 15 118.7 0.02 . 1 . . . . 159 GLU N . 7313 1 152 . 1 1 54 54 ILE H H 1 7.5 0.02 . 1 . . . . 160 ILE HN . 7313 1 153 . 1 1 54 54 ILE C C 13 172.6 0.1 . 1 . . . . 160 ILE C . 7313 1 154 . 1 1 54 54 ILE CA C 13 62 0.1 . 1 . . . . 160 ILE CA . 7313 1 155 . 1 1 54 54 ILE CB C 13 37.5 0.1 . 1 . . . . 160 ILE CB . 7313 1 156 . 1 1 54 54 ILE N N 15 113.9 0.02 . 1 . . . . 160 ILE N . 7313 1 157 . 1 1 55 55 SER H H 1 7.7 0.02 . 1 . . . . 161 SER HN . 7313 1 158 . 1 1 55 55 SER C C 13 171.3 0.1 . 1 . . . . 161 SER C . 7313 1 159 . 1 1 55 55 SER CA C 13 57 0.1 . 1 . . . . 161 SER CA . 7313 1 160 . 1 1 55 55 SER CB C 13 64.9 0.1 . 1 . . . . 161 SER CB . 7313 1 161 . 1 1 55 55 SER N N 15 114.8 0.02 . 1 . . . . 161 SER N . 7313 1 162 . 1 1 56 56 ARG H H 1 8.6 0.02 . 1 . . . . 162 ARG HN . 7313 1 163 . 1 1 56 56 ARG C C 13 171.3 0.1 . 1 . . . . 162 ARG C . 7313 1 164 . 1 1 56 56 ARG CA C 13 55.6 0.1 . 1 . . . . 162 ARG CA . 7313 1 165 . 1 1 56 56 ARG CB C 13 30.7 0.1 . 1 . . . . 162 ARG CB . 7313 1 166 . 1 1 56 56 ARG N N 15 114.6 0.02 . 1 . . . . 162 ARG N . 7313 1 167 . 1 1 57 57 SER H H 1 8.5 0.02 . 1 . . . . 163 SER HN . 7313 1 168 . 1 1 57 57 SER C C 13 172.1 0.1 . 1 . . . . 163 SER C . 7313 1 169 . 1 1 57 57 SER CA C 13 55.6 0.1 . 1 . . . . 163 SER CA . 7313 1 170 . 1 1 57 57 SER CB C 13 62.7 0.1 . 1 . . . . 163 SER CB . 7313 1 171 . 1 1 57 57 SER N N 15 117.1 0.02 . 1 . . . . 163 SER N . 7313 1 172 . 1 1 58 58 GLY H H 1 8.5 0.02 . 1 . . . . 164 GLY HN . 7313 1 173 . 1 1 58 58 GLY C C 13 170.8 0.1 . 1 . . . . 164 GLY C . 7313 1 174 . 1 1 58 58 GLY CA C 13 44.4 0.1 . 1 . . . . 164 GLY CA . 7313 1 175 . 1 1 58 58 GLY N N 15 113.9 0.02 . 1 . . . . 164 GLY N . 7313 1 176 . 1 1 59 59 ARG H H 1 8.5 0.02 . 1 . . . . 165 ARG HN . 7313 1 177 . 1 1 59 59 ARG C C 13 169.5 0.1 . 1 . . . . 165 ARG C . 7313 1 178 . 1 1 59 59 ARG CA C 13 55 0.1 . 1 . . . . 165 ARG CA . 7313 1 179 . 1 1 59 59 ARG CB C 13 34.1 0.1 . 1 . . . . 165 ARG CB . 7313 1 180 . 1 1 59 59 ARG N N 15 122.5 0.02 . 1 . . . . 165 ARG N . 7313 1 181 . 1 1 60 60 ILE H H 1 8.8 0.02 . 1 . . . . 166 ILE HN . 7313 1 182 . 1 1 60 60 ILE C C 13 170.4 0.1 . 1 . . . . 166 ILE C . 7313 1 183 . 1 1 60 60 ILE CA C 13 57.1 0.1 . 1 . . . . 166 ILE CA . 7313 1 184 . 1 1 60 60 ILE CB C 13 42.5 0.1 . 1 . . . . 166 ILE CB . 7313 1 185 . 1 1 60 60 ILE N N 15 121.3 0.02 . 1 . . . . 166 ILE N . 7313 1 186 . 1 1 61 61 GLY H H 1 8.2 0.02 . 1 . . . . 167 GLY HN . 7313 1 187 . 1 1 61 61 GLY C C 13 168.4 0.1 . 1 . . . . 167 GLY C . 7313 1 188 . 1 1 61 61 GLY CA C 13 43.1 0.1 . 1 . . . . 167 GLY CA . 7313 1 189 . 1 1 61 61 GLY N N 15 113.9 0.02 . 1 . . . . 167 GLY N . 7313 1 190 . 1 1 62 62 PHE H H 1 8.8 0.02 . 1 . . . . 168 PHE HN . 7313 1 191 . 1 1 62 62 PHE C C 13 169.5 0.1 . 1 . . . . 168 PHE C . 7313 1 192 . 1 1 62 62 PHE CA C 13 55.2 0.1 . 1 . . . . 168 PHE CA . 7313 1 193 . 1 1 62 62 PHE CB C 13 44.6 0.1 . 1 . . . . 168 PHE CB . 7313 1 194 . 1 1 62 62 PHE N N 15 120.8 0.02 . 1 . . . . 168 PHE N . 7313 1 195 . 1 1 63 63 GLY H H 1 8.3 0.02 . 1 . . . . 169 GLY HN . 7313 1 196 . 1 1 63 63 GLY CA C 13 45 0.1 . 1 . . . . 169 GLY CA . 7313 1 197 . 1 1 63 63 GLY N N 15 117.3 0.02 . 1 . . . . 169 GLY N . 7313 1 198 . 1 1 64 64 SER H H 1 8.6 0.02 . 1 . . . . 170 SER HN . 7313 1 199 . 1 1 64 64 SER C C 13 169.8 0.1 . 1 . . . . 170 SER C . 7313 1 200 . 1 1 64 64 SER CA C 13 55.8 0.1 . 1 . . . . 170 SER CA . 7313 1 201 . 1 1 64 64 SER CB C 13 67 0.1 . 1 . . . . 170 SER CB . 7313 1 202 . 1 1 64 64 SER N N 15 113.6 0.02 . 1 . . . . 170 SER N . 7313 1 203 . 1 1 65 65 ILE H H 1 8.4 0.02 . 1 . . . . 171 ILE HN . 7313 1 204 . 1 1 65 65 ILE C C 13 171.3 0.1 . 1 . . . . 171 ILE C . 7313 1 205 . 1 1 65 65 ILE CA C 13 59.9 0.1 . 1 . . . . 171 ILE CA . 7313 1 206 . 1 1 65 65 ILE CB C 13 38.4 0.1 . 1 . . . . 171 ILE CB . 7313 1 207 . 1 1 65 65 ILE N N 15 124.7 0.02 . 1 . . . . 171 ILE N . 7313 1 208 . 1 1 66 66 VAL H H 1 8.6 0.02 . 1 . . . . 172 VAL HN . 7313 1 209 . 1 1 66 66 VAL C C 13 172.7 0.1 . 1 . . . . 172 VAL C . 7313 1 210 . 1 1 66 66 VAL CA C 13 60.3 0.1 . 1 . . . . 172 VAL CA . 7313 1 211 . 1 1 66 66 VAL CB C 13 33.2 0.1 . 1 . . . . 172 VAL CB . 7313 1 212 . 1 1 66 66 VAL N N 15 128.1 0.02 . 1 . . . . 172 VAL N . 7313 1 213 . 1 1 68 68 MET C C 13 172.4 0.1 . 1 . . . . 174 MET C . 7313 1 214 . 1 1 69 69 THR H H 1 8.5 0.02 . 1 . . . . 175 THR HN . 7313 1 215 . 1 1 69 69 THR C C 13 170.2 0.1 . 1 . . . . 175 THR C . 7313 1 216 . 1 1 69 69 THR CA C 13 62 0.1 . 1 . . . . 175 THR CA . 7313 1 217 . 1 1 69 69 THR N N 15 118 0.02 . 1 . . . . 175 THR N . 7313 1 218 . 1 1 70 70 PHE H H 1 9.5 0.02 . 1 . . . . 176 PHE HN . 7313 1 219 . 1 1 70 70 PHE C C 13 169.2 0.1 . 1 . . . . 176 PHE C . 7313 1 220 . 1 1 70 70 PHE CA C 13 54.8 0.1 . 1 . . . . 176 PHE CA . 7313 1 221 . 1 1 70 70 PHE CB C 13 39.8 0.1 . 1 . . . . 176 PHE CB . 7313 1 222 . 1 1 70 70 PHE N N 15 129.7 0.02 . 1 . . . . 176 PHE N . 7313 1 223 . 1 1 71 71 GLN H H 1 9 0.02 . 1 . . . . 177 GLN HN . 7313 1 224 . 1 1 71 71 GLN CA C 13 53.1 0.1 . 1 . . . . 177 GLN CA . 7313 1 225 . 1 1 71 71 GLN CB C 13 30.8 0.1 . 1 . . . . 177 GLN CB . 7313 1 226 . 1 1 71 71 GLN N N 15 129.1 0.02 . 1 . . . . 177 GLN N . 7313 1 227 . 1 1 72 72 HIS H H 1 8.5 0.02 . 1 . . . . 178 HIS HN . 7313 1 228 . 1 1 72 72 HIS C C 13 172.1 0.1 . 1 . . . . 178 HIS C . 7313 1 229 . 1 1 72 72 HIS CA C 13 54.7 0.1 . 1 . . . . 178 HIS CA . 7313 1 230 . 1 1 72 72 HIS CB C 13 29.5 0.1 . 1 . . . . 178 HIS CB . 7313 1 231 . 1 1 72 72 HIS N N 15 127.1 0.02 . 1 . . . . 178 HIS N . 7313 1 232 . 1 1 73 73 ILE H H 1 7.8 0.02 . 1 . . . . 179 ILE HN . 7313 1 233 . 1 1 73 73 ILE C C 13 172 0.1 . 1 . . . . 179 ILE C . 7313 1 234 . 1 1 73 73 ILE CA C 13 62.9 0.1 . 1 . . . . 179 ILE CA . 7313 1 235 . 1 1 73 73 ILE CB C 13 38.9 0.1 . 1 . . . . 179 ILE CB . 7313 1 236 . 1 1 73 73 ILE N N 15 131 0.02 . 1 . . . . 179 ILE N . 7313 1 237 . 1 1 74 74 LEU H H 1 8.8 0.02 . 1 . . . . 180 LEU HN . 7313 1 238 . 1 1 74 74 LEU C C 13 172.6 0.1 . 1 . . . . 180 LEU C . 7313 1 239 . 1 1 74 74 LEU CA C 13 52.6 0.1 . 1 . . . . 180 LEU CA . 7313 1 240 . 1 1 74 74 LEU CB C 13 46.1 0.1 . 1 . . . . 180 LEU CB . 7313 1 241 . 1 1 74 74 LEU N N 15 122.1 0.02 . 1 . . . . 180 LEU N . 7313 1 242 . 1 1 75 75 LYS H H 1 8.3 0.02 . 1 . . . . 181 LYS HN . 7313 1 243 . 1 1 75 75 LYS C C 13 181.2 0.1 . 1 . . . . 181 LYS C . 7313 1 244 . 1 1 75 75 LYS CA C 13 56.8 0.1 . 1 . . . . 181 LYS CA . 7313 1 245 . 1 1 75 75 LYS CB C 13 32.4 0.1 . 1 . . . . 181 LYS CB . 7313 1 246 . 1 1 75 75 LYS N N 15 127.6 0.02 . 1 . . . . 181 LYS N . 7313 1 247 . 1 1 76 76 LEU H H 1 7.5 0.02 . 1 . . . . 182 LEU HN . 7313 1 248 . 1 1 76 76 LEU C C 13 174.3 0.1 . 1 . . . . 182 LEU C . 7313 1 249 . 1 1 76 76 LEU CA C 13 56.4 0.1 . 1 . . . . 182 LEU CA . 7313 1 250 . 1 1 76 76 LEU CB C 13 41.4 0.1 . 1 . . . . 182 LEU CB . 7313 1 251 . 1 1 76 76 LEU N N 15 121.6 0.02 . 1 . . . . 182 LEU N . 7313 1 252 . 1 1 77 77 THR H H 1 8.9 0.02 . 1 . . . . 183 THR HN . 7313 1 253 . 1 1 77 77 THR C C 13 168.9 0.1 . 1 . . . . 183 THR C . 7313 1 254 . 1 1 77 77 THR CA C 13 58.5 0.1 . 1 . . . . 183 THR CA . 7313 1 255 . 1 1 77 77 THR CB C 13 69 0.1 . 1 . . . . 183 THR CB . 7313 1 256 . 1 1 77 77 THR N N 15 119.6 0.02 . 1 . . . . 183 THR N . 7313 1 257 . 1 1 78 78 ALA H H 1 8.7 0.02 . 1 . . . . 184 ALA HN . 7313 1 258 . 1 1 78 78 ALA C C 13 174.7 0.1 . 1 . . . . 184 ALA C . 7313 1 259 . 1 1 78 78 ALA CA C 13 52 0.1 . 1 . . . . 184 ALA CA . 7313 1 260 . 1 1 78 78 ALA CB C 13 18.6 0.1 . 1 . . . . 184 ALA CB . 7313 1 261 . 1 1 78 78 ALA N N 15 129 0.02 . 1 . . . . 184 ALA N . 7313 1 262 . 1 1 79 79 ASP H H 1 8.7 0.02 . 1 . . . . 185 ASP HN . 7313 1 263 . 1 1 79 79 ASP C C 13 173.8 0.1 . 1 . . . . 185 ASP C . 7313 1 264 . 1 1 79 79 ASP CA C 13 52.6 0.1 . 1 . . . . 185 ASP CA . 7313 1 265 . 1 1 79 79 ASP CB C 13 38.9 0.1 . 1 . . . . 185 ASP CB . 7313 1 266 . 1 1 79 79 ASP N N 15 120.9 0.02 . 1 . . . . 185 ASP N . 7313 1 267 . 1 1 80 80 SER H H 1 8.2 0.02 . 1 . . . . 186 SER HN . 7313 1 268 . 1 1 80 80 SER C C 13 173.5 0.1 . 1 . . . . 186 SER C . 7313 1 269 . 1 1 80 80 SER CA C 13 60.5 0.1 . 1 . . . . 186 SER CA . 7313 1 270 . 1 1 80 80 SER CB C 13 62.8 0.1 . 1 . . . . 186 SER CB . 7313 1 271 . 1 1 80 80 SER N N 15 121.9 0.02 . 1 . . . . 186 SER N . 7313 1 272 . 1 1 81 81 SER H H 1 6.4 0.02 . 1 . . . . 187 SER HN . 7313 1 273 . 1 1 81 81 SER C C 13 174.1 0.1 . 1 . . . . 187 SER C . 7313 1 274 . 1 1 81 81 SER CA C 13 61.3 0.1 . 1 . . . . 187 SER CA . 7313 1 275 . 1 1 81 81 SER CB C 13 62.2 0.1 . 1 . . . . 187 SER CB . 7313 1 276 . 1 1 81 81 SER N N 15 120.7 0.02 . 1 . . . . 187 SER N . 7313 1 277 . 1 1 82 82 GLN H H 1 7.7 0.02 . 1 . . . . 188 GLN HN . 7313 1 278 . 1 1 82 82 GLN C C 13 175 0.1 . 1 . . . . 188 GLN C . 7313 1 279 . 1 1 82 82 GLN CA C 13 58.1 0.1 . 1 . . . . 188 GLN CA . 7313 1 280 . 1 1 82 82 GLN CB C 13 27.6 0.1 . 1 . . . . 188 GLN CB . 7313 1 281 . 1 1 82 82 GLN N N 15 123.8 0.02 . 1 . . . . 188 GLN N . 7313 1 282 . 1 1 83 83 PHE H H 1 7.3 0.02 . 1 . . . . 189 PHE HN . 7313 1 283 . 1 1 83 83 PHE C C 13 172.4 0.1 . 1 . . . . 189 PHE C . 7313 1 284 . 1 1 83 83 PHE CA C 13 60.9 0.1 . 1 . . . . 189 PHE CA . 7313 1 285 . 1 1 83 83 PHE CB C 13 38.1 0.1 . 1 . . . . 189 PHE CB . 7313 1 286 . 1 1 83 83 PHE N N 15 119.3 0.02 . 1 . . . . 189 PHE N . 7313 1 287 . 1 1 84 84 GLN H H 1 7.9 0.02 . 1 . . . . 190 GLN HN . 7313 1 288 . 1 1 84 84 GLN C C 13 175.6 0.1 . 1 . . . . 190 GLN C . 7313 1 289 . 1 1 84 84 GLN CA C 13 59.1 0.1 . 1 . . . . 190 GLN CA . 7313 1 290 . 1 1 84 84 GLN CB C 13 28 0.1 . 1 . . . . 190 GLN CB . 7313 1 291 . 1 1 84 84 GLN N N 15 117 0.02 . 1 . . . . 190 GLN N . 7313 1 292 . 1 1 85 85 ARG H H 1 7.7 0.02 . 1 . . . . 191 ARG HN . 7313 1 293 . 1 1 85 85 ARG C C 13 176.4 0.1 . 1 . . . . 191 ARG C . 7313 1 294 . 1 1 85 85 ARG CA C 13 59.1 0.1 . 1 . . . . 191 ARG CA . 7313 1 295 . 1 1 85 85 ARG CB C 13 29.8 0.1 . 1 . . . . 191 ARG CB . 7313 1 296 . 1 1 85 85 ARG N N 15 118.5 0.02 . 1 . . . . 191 ARG N . 7313 1 297 . 1 1 86 86 GLU H H 1 8 0.02 . 1 . . . . 192 GLU HN . 7313 1 298 . 1 1 86 86 GLU C C 13 176.3 0.1 . 1 . . . . 192 GLU C . 7313 1 299 . 1 1 86 86 GLU CA C 13 57.5 0.1 . 1 . . . . 192 GLU CA . 7313 1 300 . 1 1 86 86 GLU CB C 13 27.7 0.1 . 1 . . . . 192 GLU CB . 7313 1 301 . 1 1 86 86 GLU N N 15 119.2 0.02 . 1 . . . . 192 GLU N . 7313 1 302 . 1 1 87 87 LEU H H 1 8 0.02 . 1 . . . . 193 LEU HN . 7313 1 303 . 1 1 87 87 LEU C C 13 174.9 0.1 . 1 . . . . 193 LEU C . 7313 1 304 . 1 1 87 87 LEU CA C 13 57.4 0.1 . 1 . . . . 193 LEU CA . 7313 1 305 . 1 1 87 87 LEU CB C 13 39.7 0.1 . 1 . . . . 193 LEU CB . 7313 1 306 . 1 1 87 87 LEU N N 15 122.9 0.02 . 1 . . . . 193 LEU N . 7313 1 307 . 1 1 88 88 ARG H H 1 7.4 0.02 . 1 . . . . 194 ARG HN . 7313 1 308 . 1 1 88 88 ARG C C 13 174.9 0.1 . 1 . . . . 194 ARG C . 7313 1 309 . 1 1 88 88 ARG CA C 13 59.1 0.1 . 1 . . . . 194 ARG CA . 7313 1 310 . 1 1 88 88 ARG CB C 13 28.7 0.1 . 1 . . . . 194 ARG CB . 7313 1 311 . 1 1 88 88 ARG N N 15 117.4 0.02 . 1 . . . . 194 ARG N . 7313 1 312 . 1 1 89 89 LYS H H 1 7.5 0.02 . 1 . . . . 195 LYS HN . 7313 1 313 . 1 1 89 89 LYS C C 13 176.5 0.1 . 1 . . . . 195 LYS C . 7313 1 314 . 1 1 89 89 LYS CA C 13 58.9 0.1 . 1 . . . . 195 LYS CA . 7313 1 315 . 1 1 89 89 LYS CB C 13 32 0.1 . 1 . . . . 195 LYS CB . 7313 1 316 . 1 1 89 89 LYS N N 15 117.4 0.02 . 1 . . . . 195 LYS N . 7313 1 317 . 1 1 90 90 GLN H H 1 7.8 0.02 . 1 . . . . 196 GLN HN . 7313 1 318 . 1 1 90 90 GLN C C 13 176.5 0.1 . 1 . . . . 196 GLN C . 7313 1 319 . 1 1 90 90 GLN CA C 13 57.4 0.1 . 1 . . . . 196 GLN CA . 7313 1 320 . 1 1 90 90 GLN CB C 13 27.4 0.1 . 1 . . . . 196 GLN CB . 7313 1 321 . 1 1 90 90 GLN N N 15 117.6 0.02 . 1 . . . . 196 GLN N . 7313 1 322 . 1 1 91 91 LEU C C 13 176 0.1 . 1 . . . . 197 LEU C . 7313 1 323 . 1 1 91 91 LEU CA C 13 57.2 0.1 . 1 . . . . 197 LEU CA . 7313 1 324 . 1 1 91 91 LEU CB C 13 40.8 0.1 . 1 . . . . 197 LEU CB . 7313 1 325 . 1 1 92 92 VAL H H 1 7.8 0.02 . 1 . . . . 198 VAL HN . 7313 1 326 . 1 1 92 92 VAL C C 13 174.6 0.1 . 1 . . . . 198 VAL C . 7313 1 327 . 1 1 92 92 VAL CA C 13 61.8 0.1 . 1 . . . . 198 VAL CA . 7313 1 328 . 1 1 92 92 VAL CB C 13 30.9 0.1 . 1 . . . . 198 VAL CB . 7313 1 329 . 1 1 92 92 VAL N N 15 113.5 0.02 . 1 . . . . 198 VAL N . 7313 1 330 . 1 1 93 93 SER H H 1 7.6 0.02 . 1 . . . . 199 SER HN . 7313 1 331 . 1 1 93 93 SER C C 13 172.7 0.1 . 1 . . . . 199 SER C . 7313 1 332 . 1 1 93 93 SER CA C 13 60.1 0.1 . 1 . . . . 199 SER CA . 7313 1 333 . 1 1 93 93 SER CB C 13 68.4 0.1 . 1 . . . . 199 SER CB . 7313 1 334 . 1 1 93 93 SER N N 15 117 0.02 . 1 . . . . 199 SER N . 7313 1 335 . 1 1 94 94 GLY H H 1 8.2 0.02 . 1 . . . . 200 GLY HN . 7313 1 336 . 1 1 94 94 GLY C C 13 171.1 0.1 . 1 . . . . 200 GLY C . 7313 1 337 . 1 1 94 94 GLY CA C 13 45.4 0.1 . 1 . . . . 200 GLY CA . 7313 1 338 . 1 1 94 94 GLY N N 15 110.9 0.02 . 1 . . . . 200 GLY N . 7313 1 339 . 1 1 95 95 LYS H H 1 7.9 0.02 . 1 . . . . 201 LYS HN . 7313 1 340 . 1 1 95 95 LYS C C 13 172.7 0.1 . 1 . . . . 201 LYS C . 7313 1 341 . 1 1 95 95 LYS CA C 13 55.4 0.1 . 1 . . . . 201 LYS CA . 7313 1 342 . 1 1 95 95 LYS CB C 13 32.3 0.1 . 1 . . . . 201 LYS CB . 7313 1 343 . 1 1 95 95 LYS N N 15 120.7 0.02 . 1 . . . . 201 LYS N . 7313 1 344 . 1 1 98 98 THR H H 1 8.2 0.02 . 1 . . . . 204 THR HN . 7313 1 345 . 1 1 98 98 THR N N 15 124 0.02 . 1 . . . . 204 THR N . 7313 1 346 . 1 1 111 111 ILE C C 13 176 0.1 . 1 . . . . 217 ILE C . 7313 1 347 . 1 1 111 111 ILE CA C 13 61.7 0.1 . 1 . . . . 217 ILE CA . 7313 1 348 . 1 1 111 111 ILE CB C 13 38.9 0.1 . 1 . . . . 217 ILE CB . 7313 1 349 . 1 1 112 112 CYS H H 1 8 0.02 . 1 . . . . 218 CYS HN . 7313 1 350 . 1 1 112 112 CYS C C 13 174 0.1 . 1 . . . . 218 CYS C . 7313 1 351 . 1 1 112 112 CYS CA C 13 55.2 0.1 . 1 . . . . 218 CYS CA . 7313 1 352 . 1 1 112 112 CYS CB C 13 42.8 0.1 . 1 . . . . 218 CYS CB . 7313 1 353 . 1 1 112 112 CYS N N 15 124.1 0.02 . 1 . . . . 218 CYS N . 7313 1 354 . 1 1 113 113 LEU H H 1 7.8 0.02 . 1 . . . . 219 LEU HN . 7313 1 355 . 1 1 113 113 LEU C C 13 177.9 0.1 . 1 . . . . 219 LEU C . 7313 1 356 . 1 1 113 113 LEU CA C 13 59.3 0.1 . 1 . . . . 219 LEU CA . 7313 1 357 . 1 1 113 113 LEU CB C 13 41.1 0.1 . 1 . . . . 219 LEU CB . 7313 1 358 . 1 1 113 113 LEU N N 15 120.3 0.02 . 1 . . . . 219 LEU N . 7313 1 359 . 1 1 114 114 GLY H H 1 9 0.02 . 1 . . . . 220 GLY HN . 7313 1 360 . 1 1 114 114 GLY C C 13 172.6 0.1 . 1 . . . . 220 GLY C . 7313 1 361 . 1 1 114 114 GLY CA C 13 46.1 0.1 . 1 . . . . 220 GLY CA . 7313 1 362 . 1 1 114 114 GLY N N 15 108.7 0.02 . 1 . . . . 220 GLY N . 7313 1 363 . 1 1 115 115 GLU H H 1 8.9 0.02 . 1 . . . . 221 GLU HN . 7313 1 364 . 1 1 115 115 GLU C C 13 176 0.1 . 1 . . . . 221 GLU C . 7313 1 365 . 1 1 115 115 GLU CA C 13 59.4 0.1 . 1 . . . . 221 GLU CA . 7313 1 366 . 1 1 115 115 GLU CB C 13 28.3 0.1 . 1 . . . . 221 GLU CB . 7313 1 367 . 1 1 115 115 GLU N N 15 122.1 0.02 . 1 . . . . 221 GLU N . 7313 1 368 . 1 1 116 116 ILE H H 1 7.7 0.02 . 1 . . . . 222 ILE HN . 7313 1 369 . 1 1 116 116 ILE C C 13 173.3 0.1 . 1 . . . . 222 ILE C . 7313 1 370 . 1 1 116 116 ILE CA C 13 61 0.1 . 1 . . . . 222 ILE CA . 7313 1 371 . 1 1 116 116 ILE CB C 13 35.6 0.1 . 1 . . . . 222 ILE CB . 7313 1 372 . 1 1 116 116 ILE N N 15 118.5 0.02 . 1 . . . . 222 ILE N . 7313 1 373 . 1 1 117 117 GLY H H 1 7.4 0.02 . 1 . . . . 223 GLY HN . 7313 1 374 . 1 1 117 117 GLY C C 13 171.9 0.1 . 1 . . . . 223 GLY C . 7313 1 375 . 1 1 117 117 GLY CA C 13 44.5 0.1 . 1 . . . . 223 GLY CA . 7313 1 376 . 1 1 117 117 GLY N N 15 102.3 0.02 . 1 . . . . 223 GLY N . 7313 1 377 . 1 1 118 118 TRP H H 1 6.6 0.02 . 1 . . . . 224 TRP HN . 7313 1 378 . 1 1 118 118 TRP C C 13 174.3 0.1 . 1 . . . . 224 TRP C . 7313 1 379 . 1 1 118 118 TRP CA C 13 59.6 0.1 . 1 . . . . 224 TRP CA . 7313 1 380 . 1 1 118 118 TRP CB C 13 30.3 0.1 . 1 . . . . 224 TRP CB . 7313 1 381 . 1 1 118 118 TRP N N 15 119 0.02 . 1 . . . . 224 TRP N . 7313 1 382 . 1 1 119 119 ARG H H 1 10.3 0.02 . 1 . . . . 225 ARG HN . 7313 1 383 . 1 1 119 119 ARG C C 13 173.6 0.1 . 1 . . . . 225 ARG C . 7313 1 384 . 1 1 119 119 ARG CA C 13 55 0.1 . 1 . . . . 225 ARG CA . 7313 1 385 . 1 1 119 119 ARG CB C 13 30.2 0.1 . 1 . . . . 225 ARG CB . 7313 1 386 . 1 1 119 119 ARG N N 15 125.6 0.02 . 1 . . . . 225 ARG N . 7313 1 387 . 1 1 120 120 ASN C C 13 171.5 0.1 . 1 . . . . 226 ASN C . 7313 1 388 . 1 1 120 120 ASN CA C 13 52.8 0.1 . 1 . . . . 226 ASN CA . 7313 1 389 . 1 1 120 120 ASN CB C 13 37.6 0.1 . 1 . . . . 226 ASN CB . 7313 1 390 . 1 1 121 121 GLY H H 1 7.6 0.02 . 1 . . . . 227 GLY HN . 7313 1 391 . 1 1 121 121 GLY C C 13 170.9 0.1 . 1 . . . . 227 GLY C . 7313 1 392 . 1 1 121 121 GLY CA C 13 44.9 0.1 . 1 . . . . 227 GLY CA . 7313 1 393 . 1 1 121 121 GLY N N 15 110.9 0.02 . 1 . . . . 227 GLY N . 7313 1 394 . 1 1 122 122 THR H H 1 8.1 0.02 . 1 . . . . 228 THR HN . 7313 1 395 . 1 1 122 122 THR C C 13 171.4 0.1 . 1 . . . . 228 THR C . 7313 1 396 . 1 1 122 122 THR CA C 13 63.6 0.1 . 1 . . . . 228 THR CA . 7313 1 397 . 1 1 122 122 THR CB C 13 68.6 0.1 . 1 . . . . 228 THR CB . 7313 1 398 . 1 1 122 122 THR N N 15 122 0.02 . 1 . . . . 228 THR N . 7313 1 399 . 1 1 123 123 ARG H H 1 9 0.02 . 1 . . . . 229 ARG HN . 7313 1 400 . 1 1 123 123 ARG C C 13 170.6 0.1 . 1 . . . . 229 ARG C . 7313 1 401 . 1 1 123 123 ARG CA C 13 55 0.1 . 1 . . . . 229 ARG CA . 7313 1 402 . 1 1 123 123 ARG CB C 13 32 0.1 . 1 . . . . 229 ARG CB . 7313 1 403 . 1 1 123 123 ARG N N 15 130 0.02 . 1 . . . . 229 ARG N . 7313 1 404 . 1 1 124 124 PHE H H 1 9.4 0.02 . 1 . . . . 230 PHE HN . 7313 1 405 . 1 1 124 124 PHE C C 13 171.4 0.1 . 1 . . . . 230 PHE C . 7313 1 406 . 1 1 124 124 PHE CA C 13 56.4 0.1 . 1 . . . . 230 PHE CA . 7313 1 407 . 1 1 124 124 PHE CB C 13 42.4 0.1 . 1 . . . . 230 PHE CB . 7313 1 408 . 1 1 124 124 PHE N N 15 121.5 0.02 . 1 . . . . 230 PHE N . 7313 1 409 . 1 1 125 125 LEU H H 1 8.5 0.02 . 1 . . . . 231 LEU HN . 7313 1 410 . 1 1 125 125 LEU C C 13 170.9 0.1 . 1 . . . . 231 LEU C . 7313 1 411 . 1 1 125 125 LEU CA C 13 54.9 0.1 . 1 . . . . 231 LEU CA . 7313 1 412 . 1 1 125 125 LEU CB C 13 45.5 0.1 . 1 . . . . 231 LEU CB . 7313 1 413 . 1 1 125 125 LEU N N 15 125.7 0.02 . 1 . . . . 231 LEU N . 7313 1 414 . 1 1 126 126 VAL H H 1 9.2 0.02 . 1 . . . . 232 VAL HN . 7313 1 415 . 1 1 126 126 VAL C C 13 169.9 0.1 . 1 . . . . 232 VAL C . 7313 1 416 . 1 1 126 126 VAL CA C 13 60.1 0.1 . 1 . . . . 232 VAL CA . 7313 1 417 . 1 1 126 126 VAL CB C 13 32.6 0.1 . 1 . . . . 232 VAL CB . 7313 1 418 . 1 1 126 126 VAL N N 15 127.9 0.02 . 1 . . . . 232 VAL N . 7313 1 419 . 1 1 127 127 LEU H H 1 8.7 0.02 . 1 . . . . 233 LEU HN . 7313 1 420 . 1 1 127 127 LEU C C 13 171.4 0.1 . 1 . . . . 233 LEU C . 7313 1 421 . 1 1 127 127 LEU CA C 13 52.1 0.1 . 1 . . . . 233 LEU CA . 7313 1 422 . 1 1 127 127 LEU CB C 13 44 0.1 . 1 . . . . 233 LEU CB . 7313 1 423 . 1 1 127 127 LEU N N 15 129.9 0.02 . 1 . . . . 233 LEU N . 7313 1 424 . 1 1 128 128 VAL H H 1 8.5 0.02 . 1 . . . . 234 VAL HN . 7313 1 425 . 1 1 128 128 VAL CA C 13 59.1 0.1 . 1 . . . . 234 VAL CA . 7313 1 426 . 1 1 128 128 VAL CB C 13 31.9 0.1 . 1 . . . . 234 VAL CB . 7313 1 427 . 1 1 128 128 VAL N N 15 127.7 0.02 . 1 . . . . 234 VAL N . 7313 1 428 . 1 1 129 129 THR H H 1 8.4 0.02 . 1 . . . . 235 THR HN . 7313 1 429 . 1 1 129 129 THR CA C 13 54.8 0.1 . 1 . . . . 235 THR CA . 7313 1 430 . 1 1 129 129 THR CB C 13 69.1 0.1 . 1 . . . . 235 THR CB . 7313 1 431 . 1 1 129 129 THR N N 15 120.9 0.02 . 1 . . . . 235 THR N . 7313 1 432 . 1 1 136 136 ALA CA C 13 51.5 0.1 . 1 . . . . 242 ALA CA . 7313 1 433 . 1 1 136 136 ALA CB C 13 19.2 0.1 . 1 . . . . 242 ALA CB . 7313 1 434 . 1 1 137 137 LYS H H 1 8.2 0.02 . 1 . . . . 243 LYS HN . 7313 1 435 . 1 1 137 137 LYS C C 13 173.3 0.1 . 1 . . . . 243 LYS C . 7313 1 436 . 1 1 137 137 LYS CA C 13 56.4 0.1 . 1 . . . . 243 LYS CA . 7313 1 437 . 1 1 137 137 LYS CB C 13 32.1 0.1 . 1 . . . . 243 LYS CB . 7313 1 438 . 1 1 137 137 LYS N N 15 121.6 0.02 . 1 . . . . 243 LYS N . 7313 1 439 . 1 1 138 138 ASP H H 1 8.1 0.02 . 1 . . . . 244 ASP HN . 7313 1 440 . 1 1 138 138 ASP C C 13 173.3 0.1 . 1 . . . . 244 ASP C . 7313 1 441 . 1 1 138 138 ASP CA C 13 53.8 0.1 . 1 . . . . 244 ASP CA . 7313 1 442 . 1 1 138 138 ASP CB C 13 40.7 0.1 . 1 . . . . 244 ASP CB . 7313 1 443 . 1 1 138 138 ASP N N 15 121.1 0.02 . 1 . . . . 244 ASP N . 7313 1 444 . 1 1 139 139 LYS H H 1 8.3 0.02 . 1 . . . . 245 LYS HN . 7313 1 445 . 1 1 139 139 LYS C C 13 173.9 0.1 . 1 . . . . 245 LYS C . 7313 1 446 . 1 1 139 139 LYS CA C 13 56.2 0.1 . 1 . . . . 245 LYS CA . 7313 1 447 . 1 1 139 139 LYS CB C 13 32 0.1 . 1 . . . . 245 LYS CB . 7313 1 448 . 1 1 139 139 LYS N N 15 121.8 0.02 . 1 . . . . 245 LYS N . 7313 1 449 . 1 1 140 140 THR H H 1 8.1 0.02 . 1 . . . . 246 THR HN . 7313 1 450 . 1 1 140 140 THR C C 13 171.7 0.1 . 1 . . . . 246 THR C . 7313 1 451 . 1 1 140 140 THR CA C 13 61.8 0.1 . 1 . . . . 246 THR CA . 7313 1 452 . 1 1 140 140 THR CB C 13 69.3 0.1 . 1 . . . . 246 THR CB . 7313 1 453 . 1 1 140 140 THR N N 15 114.9 0.02 . 1 . . . . 246 THR N . 7313 1 454 . 1 1 141 141 LEU H H 1 8.1 0.02 . 1 . . . . 247 LEU HN . 7313 1 455 . 1 1 141 141 LEU C C 13 174.9 0.1 . 1 . . . . 247 LEU C . 7313 1 456 . 1 1 141 141 LEU CA C 13 55 0.1 . 1 . . . . 247 LEU CA . 7313 1 457 . 1 1 141 141 LEU CB C 13 41.4 0.1 . 1 . . . . 247 LEU CB . 7313 1 458 . 1 1 141 141 LEU N N 15 124.3 0.02 . 1 . . . . 247 LEU N . 7313 1 459 . 1 1 142 142 GLY H H 1 8.3 0.02 . 1 . . . . 248 GLY HN . 7313 1 460 . 1 1 142 142 GLY C C 13 171.4 0.1 . 1 . . . . 248 GLY C . 7313 1 461 . 1 1 142 142 GLY CA C 13 44.9 0.1 . 1 . . . . 248 GLY CA . 7313 1 462 . 1 1 142 142 GLY N N 15 109.7 0.02 . 1 . . . . 248 GLY N . 7313 1 463 . 1 1 143 143 THR H H 1 8 0.02 . 1 . . . . 249 THR HN . 7313 1 464 . 1 1 143 143 THR C C 13 171.9 0.1 . 1 . . . . 249 THR C . 7313 1 465 . 1 1 143 143 THR CA C 13 61.5 0.1 . 1 . . . . 249 THR CA . 7313 1 466 . 1 1 143 143 THR CB C 13 69.4 0.1 . 1 . . . . 249 THR CB . 7313 1 467 . 1 1 143 143 THR N N 15 114 0.02 . 1 . . . . 249 THR N . 7313 1 468 . 1 1 144 144 ARG H H 1 8.2 0.02 . 1 . . . . 250 ARG HN . 7313 1 469 . 1 1 144 144 ARG C C 13 173.1 0.1 . 1 . . . . 250 ARG C . 7313 1 470 . 1 1 144 144 ARG CA C 13 53.8 0.1 . 1 . . . . 250 ARG CA . 7313 1 471 . 1 1 144 144 ARG CB C 13 30.1 0.1 . 1 . . . . 250 ARG CB . 7313 1 472 . 1 1 144 144 ARG N N 15 123.9 0.02 . 1 . . . . 250 ARG N . 7313 1 473 . 1 1 145 145 GLN H H 1 8.4 0.02 . 1 . . . . 251 GLN HN . 7313 1 474 . 1 1 145 145 GLN C C 13 172.6 0.1 . 1 . . . . 251 GLN C . 7313 1 475 . 1 1 145 145 GLN CA C 13 55.3 0.1 . 1 . . . . 251 GLN CA . 7313 1 476 . 1 1 145 145 GLN CB C 13 29.1 0.1 . 1 . . . . 251 GLN CB . 7313 1 477 . 1 1 145 145 GLN N N 15 122.2 0.02 . 1 . . . . 251 GLN N . 7313 1 478 . 1 1 146 146 ASN H H 1 8.5 0.02 . 1 . . . . 252 ASN HN . 7313 1 479 . 1 1 146 146 ASN C C 13 172.5 0.1 . 1 . . . . 252 ASN C . 7313 1 480 . 1 1 146 146 ASN CA C 13 52.9 0.1 . 1 . . . . 252 ASN CA . 7313 1 481 . 1 1 146 146 ASN CB C 13 38.5 0.1 . 1 . . . . 252 ASN CB . 7313 1 482 . 1 1 146 146 ASN N N 15 120.9 0.02 . 1 . . . . 252 ASN N . 7313 1 483 . 1 1 147 147 THR H H 1 8.2 0.02 . 1 . . . . 253 THR HN . 7313 1 484 . 1 1 147 147 THR C C 13 171.8 0.1 . 1 . . . . 253 THR C . 7313 1 485 . 1 1 147 147 THR CA C 13 61.4 0.1 . 1 . . . . 253 THR CA . 7313 1 486 . 1 1 147 147 THR CB C 13 69.1 0.1 . 1 . . . . 253 THR CB . 7313 1 487 . 1 1 147 147 THR N N 15 114.9 0.02 . 1 . . . . 253 THR N . 7313 1 488 . 1 1 148 148 SER H H 1 8.3 0.02 . 1 . . . . 254 SER HN . 7313 1 489 . 1 1 148 148 SER C C 13 171.7 0.1 . 1 . . . . 254 SER C . 7313 1 490 . 1 1 148 148 SER CA C 13 57.7 0.1 . 1 . . . . 254 SER CA . 7313 1 491 . 1 1 148 148 SER CB C 13 63.5 0.1 . 1 . . . . 254 SER CB . 7313 1 492 . 1 1 148 148 SER N N 15 118.6 0.02 . 1 . . . . 254 SER N . 7313 1 493 . 1 1 149 149 ASP H H 1 8.4 0.02 . 1 . . . . 255 ASP HN . 7313 1 494 . 1 1 149 149 ASP C C 13 174.2 0.1 . 1 . . . . 255 ASP C . 7313 1 495 . 1 1 149 149 ASP CA C 13 53.6 0.1 . 1 . . . . 255 ASP CA . 7313 1 496 . 1 1 149 149 ASP CB C 13 40.3 0.1 . 1 . . . . 255 ASP CB . 7313 1 497 . 1 1 149 149 ASP N N 15 123.4 0.02 . 1 . . . . 255 ASP N . 7313 1 498 . 1 1 150 150 GLY H H 1 8.4 0.02 . 1 . . . . 256 GLY HN . 7313 1 499 . 1 1 150 150 GLY C C 13 170.4 0.1 . 1 . . . . 256 GLY C . 7313 1 500 . 1 1 150 150 GLY CA C 13 45.4 0.1 . 1 . . . . 256 GLY CA . 7313 1 501 . 1 1 150 150 GLY N N 15 109.6 0.02 . 1 . . . . 256 GLY N . 7313 1 502 . 1 1 151 151 ARG H H 1 7.7 0.02 . 1 . . . . 257 ARG HN . 7313 1 503 . 1 1 151 151 ARG C C 13 172.1 0.1 . 1 . . . . 257 ARG C . 7313 1 504 . 1 1 151 151 ARG CA C 13 54.2 0.1 . 1 . . . . 257 ARG CA . 7313 1 505 . 1 1 151 151 ARG CB C 13 31.2 0.1 . 1 . . . . 257 ARG CB . 7313 1 506 . 1 1 151 151 ARG N N 15 118.9 0.02 . 1 . . . . 257 ARG N . 7313 1 507 . 1 1 152 152 CYS H H 1 8.5 0.02 . 1 . . . . 258 CYS HN . 7313 1 508 . 1 1 152 152 CYS C C 13 172.1 0.1 . 1 . . . . 258 CYS C . 7313 1 509 . 1 1 152 152 CYS CA C 13 56.6 0.1 . 1 . . . . 258 CYS CA . 7313 1 510 . 1 1 152 152 CYS CB C 13 41.6 0.1 . 1 . . . . 258 CYS CB . 7313 1 511 . 1 1 152 152 CYS N N 15 120 0.02 . 1 . . . . 258 CYS N . 7313 1 512 . 1 1 153 153 HIS H H 1 10 0.02 . 1 . . . . 259 HIS HN . 7313 1 513 . 1 1 153 153 HIS C C 13 171.1 0.1 . 1 . . . . 259 HIS C . 7313 1 514 . 1 1 153 153 HIS CA C 13 55 0.1 . 1 . . . . 259 HIS CA . 7313 1 515 . 1 1 153 153 HIS CB C 13 30.1 0.1 . 1 . . . . 259 HIS CB . 7313 1 516 . 1 1 153 153 HIS N N 15 129.9 0.02 . 1 . . . . 259 HIS N . 7313 1 517 . 1 1 154 154 LEU H H 1 7.5 0.02 . 1 . . . . 260 LEU HN . 7313 1 518 . 1 1 154 154 LEU C C 13 173.5 0.1 . 1 . . . . 260 LEU C . 7313 1 519 . 1 1 154 154 LEU CA C 13 55.4 0.1 . 1 . . . . 260 LEU CA . 7313 1 520 . 1 1 154 154 LEU CB C 13 42.5 0.1 . 1 . . . . 260 LEU CB . 7313 1 521 . 1 1 154 154 LEU N N 15 122.6 0.02 . 1 . . . . 260 LEU N . 7313 1 522 . 1 1 155 155 ASP H H 1 8.9 0.02 . 1 . . . . 261 ASP HN . 7313 1 523 . 1 1 155 155 ASP C C 13 173 0.1 . 1 . . . . 261 ASP C . 7313 1 524 . 1 1 155 155 ASP CA C 13 53.3 0.1 . 1 . . . . 261 ASP CA . 7313 1 525 . 1 1 155 155 ASP CB C 13 41.9 0.1 . 1 . . . . 261 ASP CB . 7313 1 526 . 1 1 155 155 ASP N N 15 126.6 0.02 . 1 . . . . 261 ASP N . 7313 1 527 . 1 1 156 156 ASP H H 1 9.2 0.02 . 1 . . . . 262 ASP HN . 7313 1 528 . 1 1 156 156 ASP C C 13 173.3 0.1 . 1 . . . . 262 ASP C . 7313 1 529 . 1 1 156 156 ASP CA C 13 54.7 0.1 . 1 . . . . 262 ASP CA . 7313 1 530 . 1 1 156 156 ASP CB C 13 39.4 0.1 . 1 . . . . 262 ASP CB . 7313 1 531 . 1 1 156 156 ASP N N 15 127.9 0.02 . 1 . . . . 262 ASP N . 7313 1 532 . 1 1 157 157 GLY H H 1 8.6 0.02 . 1 . . . . 263 GLY HN . 7313 1 533 . 1 1 157 157 GLY C C 13 169 0.1 . 1 . . . . 263 GLY C . 7313 1 534 . 1 1 157 157 GLY CA C 13 45.5 0.1 . 1 . . . . 263 GLY CA . 7313 1 535 . 1 1 157 157 GLY N N 15 102.9 0.02 . 1 . . . . 263 GLY N . 7313 1 536 . 1 1 158 158 MET H H 1 7.6 0.02 . 1 . . . . 264 MET HN . 7313 1 537 . 1 1 158 158 MET C C 13 173 0.1 . 1 . . . . 264 MET C . 7313 1 538 . 1 1 158 158 MET CA C 13 53.6 0.1 . 1 . . . . 264 MET CA . 7313 1 539 . 1 1 158 158 MET CB C 13 35.9 0.1 . 1 . . . . 264 MET CB . 7313 1 540 . 1 1 158 158 MET N N 15 118 0.02 . 1 . . . . 264 MET N . 7313 1 541 . 1 1 159 159 TYR H H 1 9 0.02 . 1 . . . . 265 TYR HN . 7313 1 542 . 1 1 159 159 TYR C C 13 169.7 0.1 . 1 . . . . 265 TYR C . 7313 1 543 . 1 1 159 159 TYR CA C 13 57.1 0.1 . 1 . . . . 265 TYR CA . 7313 1 544 . 1 1 159 159 TYR CB C 13 41.9 0.1 . 1 . . . . 265 TYR CB . 7313 1 545 . 1 1 159 159 TYR N N 15 123 0.02 . 1 . . . . 265 TYR N . 7313 1 546 . 1 1 160 160 ARG H H 1 8.1 0.02 . 1 . . . . 266 ARG HN . 7313 1 547 . 1 1 160 160 ARG C C 13 171.1 0.1 . 1 . . . . 266 ARG C . 7313 1 548 . 1 1 160 160 ARG CA C 13 54.2 0.1 . 1 . . . . 266 ARG CA . 7313 1 549 . 1 1 160 160 ARG CB C 13 29.9 0.1 . 1 . . . . 266 ARG CB . 7313 1 550 . 1 1 160 160 ARG N N 15 130.6 0.02 . 1 . . . . 266 ARG N . 7313 1 551 . 1 1 161 161 SER H H 1 8.3 0.02 . 1 . . . . 267 SER HN . 7313 1 552 . 1 1 161 161 SER C C 13 172.4 0.1 . 1 . . . . 267 SER C . 7313 1 553 . 1 1 161 161 SER CA C 13 58.2 0.1 . 1 . . . . 267 SER CA . 7313 1 554 . 1 1 161 161 SER CB C 13 63.6 0.1 . 1 . . . . 267 SER CB . 7313 1 555 . 1 1 161 161 SER N N 15 119.5 0.02 . 1 . . . . 267 SER N . 7313 1 556 . 1 1 177 177 LEU C C 13 175 0.1 . 1 . . . . 283 LEU C . 7313 1 557 . 1 1 177 177 LEU CA C 13 56.6 0.1 . 1 . . . . 283 LEU CA . 7313 1 558 . 1 1 177 177 LEU CB C 13 41.3 0.1 . 1 . . . . 283 LEU CB . 7313 1 559 . 1 1 178 178 ALA H H 1 7.4 0.02 . 1 . . . . 284 ALA HN . 7313 1 560 . 1 1 178 178 ALA C C 13 178.7 0.1 . 1 . . . . 284 ALA C . 7313 1 561 . 1 1 178 178 ALA CA C 13 54.3 0.1 . 1 . . . . 284 ALA CA . 7313 1 562 . 1 1 178 178 ALA CB C 13 17.5 0.1 . 1 . . . . 284 ALA CB . 7313 1 563 . 1 1 178 178 ALA N N 15 120.5 0.02 . 1 . . . . 284 ALA N . 7313 1 564 . 1 1 179 179 GLU H H 1 8.4 0.02 . 1 . . . . 285 GLU HN . 7313 1 565 . 1 1 179 179 GLU C C 13 174.2 0.1 . 1 . . . . 285 GLU C . 7313 1 566 . 1 1 179 179 GLU CA C 13 58.5 0.1 . 1 . . . . 285 GLU CA . 7313 1 567 . 1 1 179 179 GLU CB C 13 29.8 0.1 . 1 . . . . 285 GLU CB . 7313 1 568 . 1 1 179 179 GLU N N 15 119.7 0.02 . 1 . . . . 285 GLU N . 7313 1 569 . 1 1 180 180 ASN H H 1 7.1 0.02 . 1 . . . . 286 ASN HN . 7313 1 570 . 1 1 180 180 ASN C C 13 169.6 0.1 . 1 . . . . 286 ASN C . 7313 1 571 . 1 1 180 180 ASN CA C 13 52 0.1 . 1 . . . . 286 ASN CA . 7313 1 572 . 1 1 180 180 ASN CB C 13 38.4 0.1 . 1 . . . . 286 ASN CB . 7313 1 573 . 1 1 180 180 ASN N N 15 113.3 0.02 . 1 . . . . 286 ASN N . 7313 1 574 . 1 1 181 181 ASN H H 1 7.6 0.02 . 1 . . . . 287 ASN HN . 7313 1 575 . 1 1 181 181 ASN C C 13 169.9 0.1 . 1 . . . . 287 ASN C . 7313 1 576 . 1 1 181 181 ASN CA C 13 53.6 0.1 . 1 . . . . 287 ASN CA . 7313 1 577 . 1 1 181 181 ASN CB C 13 37 0.1 . 1 . . . . 287 ASN CB . 7313 1 578 . 1 1 181 181 ASN N N 15 117.1 0.02 . 1 . . . . 287 ASN N . 7313 1 579 . 1 1 182 182 ILE H H 1 8.1 0.02 . 1 . . . . 288 ILE HN . 7313 1 580 . 1 1 182 182 ILE C C 13 171.9 0.1 . 1 . . . . 288 ILE C . 7313 1 581 . 1 1 182 182 ILE CA C 13 59.2 0.1 . 1 . . . . 288 ILE CA . 7313 1 582 . 1 1 182 182 ILE CB C 13 38.6 0.1 . 1 . . . . 288 ILE CB . 7313 1 583 . 1 1 182 182 ILE N N 15 116.9 0.02 . 1 . . . . 288 ILE N . 7313 1 584 . 1 1 183 183 GLN H H 1 8.7 0.02 . 1 . . . . 289 GLN HN . 7313 1 585 . 1 1 183 183 GLN C C 13 171.2 0.1 . 1 . . . . 289 GLN C . 7313 1 586 . 1 1 183 183 GLN CA C 13 51.6 0.1 . 1 . . . . 289 GLN CA . 7313 1 587 . 1 1 183 183 GLN CB C 13 28.2 0.1 . 1 . . . . 289 GLN CB . 7313 1 588 . 1 1 183 183 GLN N N 15 128.5 0.02 . 1 . . . . 289 GLN N . 7313 1 589 . 1 1 184 184 PRO C C 13 173.2 0.1 . 1 . . . . 290 PRO C . 7313 1 590 . 1 1 184 184 PRO CA C 13 60.9 0.1 . 1 . . . . 290 PRO CA . 7313 1 591 . 1 1 184 184 PRO CB C 13 31 0.1 . 1 . . . . 290 PRO CB . 7313 1 592 . 1 1 185 185 ILE H H 1 8.7 0.02 . 1 . . . . 291 ILE HN . 7313 1 593 . 1 1 185 185 ILE C C 13 172.1 0.1 . 1 . . . . 291 ILE C . 7313 1 594 . 1 1 185 185 ILE CA C 13 60 0.1 . 1 . . . . 291 ILE CA . 7313 1 595 . 1 1 185 185 ILE CB C 13 40.3 0.1 . 1 . . . . 291 ILE CB . 7313 1 596 . 1 1 185 185 ILE N N 15 125.9 0.02 . 1 . . . . 291 ILE N . 7313 1 597 . 1 1 186 186 PHE H H 1 9.4 0.02 . 1 . . . . 292 PHE HN . 7313 1 598 . 1 1 186 186 PHE C C 13 170.6 0.1 . 1 . . . . 292 PHE C . 7313 1 599 . 1 1 186 186 PHE CA C 13 52.1 0.1 . 1 . . . . 292 PHE CA . 7313 1 600 . 1 1 186 186 PHE CB C 13 37.8 0.1 . 1 . . . . 292 PHE CB . 7313 1 601 . 1 1 186 186 PHE N N 15 127.4 0.02 . 1 . . . . 292 PHE N . 7313 1 602 . 1 1 187 187 VAL H H 1 8.1 0.02 . 1 . . . . 293 VAL HN . 7313 1 603 . 1 1 187 187 VAL C C 13 171.1 0.1 . 1 . . . . 293 VAL C . 7313 1 604 . 1 1 187 187 VAL CA C 13 61 0.1 . 1 . . . . 293 VAL CA . 7313 1 605 . 1 1 187 187 VAL CB C 13 31.9 0.1 . 1 . . . . 293 VAL CB . 7313 1 606 . 1 1 187 187 VAL N N 15 126.5 0.02 . 1 . . . . 293 VAL N . 7313 1 607 . 1 1 188 188 VAL C C 13 175.8 0.1 . 1 . . . . 294 VAL C . 7313 1 608 . 1 1 188 188 VAL CA C 13 56.5 0.1 . 1 . . . . 294 VAL CA . 7313 1 609 . 1 1 188 188 VAL CB C 13 31.9 0.1 . 1 . . . . 294 VAL CB . 7313 1 610 . 1 1 188 188 VAL N N 15 117.2 0.02 . 1 . . . . 294 VAL N . 7313 1 611 . 1 1 190 190 SER C C 13 174.1 0.1 . 1 . . . . 296 SER C . 7313 1 612 . 1 1 191 191 ARG H H 1 8.6 0.02 . 1 . . . . 297 ARG HN . 7313 1 613 . 1 1 191 191 ARG C C 13 173.6 0.1 . 1 . . . . 297 ARG C . 7313 1 614 . 1 1 191 191 ARG CA C 13 57.7 0.1 . 1 . . . . 297 ARG CA . 7313 1 615 . 1 1 191 191 ARG CB C 13 28.5 0.1 . 1 . . . . 297 ARG CB . 7313 1 616 . 1 1 192 192 MET H H 1 8.5 0.02 . 1 . . . . 298 MET HN . 7313 1 617 . 1 1 192 192 MET C C 13 173.5 0.1 . 1 . . . . 298 MET C . 7313 1 618 . 1 1 192 192 MET CA C 13 55.1 0.1 . 1 . . . . 298 MET CA . 7313 1 619 . 1 1 192 192 MET CB C 13 33.3 0.1 . 1 . . . . 298 MET CB . 7313 1 620 . 1 1 192 192 MET N N 15 117.4 0.02 . 1 . . . . 298 MET N . 7313 1 621 . 1 1 193 193 VAL H H 1 7.4 0.02 . 1 . . . . 299 VAL HN . 7313 1 622 . 1 1 193 193 VAL C C 13 174.6 0.1 . 1 . . . . 299 VAL C . 7313 1 623 . 1 1 193 193 VAL CA C 13 67.4 0.1 . 1 . . . . 299 VAL CA . 7313 1 624 . 1 1 193 193 VAL CB C 13 31.2 0.1 . 1 . . . . 299 VAL CB . 7313 1 625 . 1 1 193 193 VAL N N 15 124.1 0.02 . 1 . . . . 299 VAL N . 7313 1 626 . 1 1 194 194 LYS H H 1 8.5 0.02 . 1 . . . . 300 LYS HN . 7313 1 627 . 1 1 194 194 LYS C C 13 176.5 0.1 . 1 . . . . 300 LYS C . 7313 1 628 . 1 1 194 194 LYS CA C 13 58.5 0.1 . 1 . . . . 300 LYS CA . 7313 1 629 . 1 1 194 194 LYS CB C 13 30.5 0.1 . 1 . . . . 300 LYS CB . 7313 1 630 . 1 1 194 194 LYS N N 15 117.1 0.02 . 1 . . . . 300 LYS N . 7313 1 631 . 1 1 195 195 THR H H 1 7.6 0.02 . 1 . . . . 301 THR HN . 7313 1 632 . 1 1 195 195 THR C C 13 171 0.1 . 1 . . . . 301 THR C . 7313 1 633 . 1 1 195 195 THR CA C 13 65.7 0.1 . 1 . . . . 301 THR CA . 7313 1 634 . 1 1 195 195 THR CB C 13 68.4 0.1 . 1 . . . . 301 THR CB . 7313 1 635 . 1 1 195 195 THR N N 15 116.5 0.02 . 1 . . . . 301 THR N . 7313 1 636 . 1 1 196 196 TYR H H 1 8.1 0.02 . 1 . . . . 302 TYR HN . 7313 1 637 . 1 1 196 196 TYR C C 13 175.3 0.1 . 1 . . . . 302 TYR C . 7313 1 638 . 1 1 196 196 TYR CA C 13 63 0.1 . 1 . . . . 302 TYR CA . 7313 1 639 . 1 1 196 196 TYR CB C 13 38.2 0.1 . 1 . . . . 302 TYR CB . 7313 1 640 . 1 1 196 196 TYR N N 15 120.5 0.02 . 1 . . . . 302 TYR N . 7313 1 641 . 1 1 197 197 GLU H H 1 8.6 0.02 . 1 . . . . 303 GLU HN . 7313 1 642 . 1 1 197 197 GLU C C 13 176.3 0.1 . 1 . . . . 303 GLU C . 7313 1 643 . 1 1 197 197 GLU CA C 13 58.9 0.1 . 1 . . . . 303 GLU CA . 7313 1 644 . 1 1 197 197 GLU CB C 13 29 0.1 . 1 . . . . 303 GLU CB . 7313 1 645 . 1 1 197 197 GLU N N 15 120.5 0.02 . 1 . . . . 303 GLU N . 7313 1 646 . 1 1 198 198 LYS H H 1 7.4 0.02 . 1 . . . . 304 LYS HN . 7313 1 647 . 1 1 198 198 LYS C C 13 176.1 0.1 . 1 . . . . 304 LYS C . 7313 1 648 . 1 1 198 198 LYS CA C 13 58 0.1 . 1 . . . . 304 LYS CA . 7313 1 649 . 1 1 198 198 LYS CB C 13 31.3 0.1 . 1 . . . . 304 LYS CB . 7313 1 650 . 1 1 198 198 LYS N N 15 118.1 0.02 . 1 . . . . 304 LYS N . 7313 1 651 . 1 1 199 199 LEU H H 1 8 0.02 . 1 . . . . 305 LEU HN . 7313 1 652 . 1 1 199 199 LEU C C 13 176.4 0.1 . 1 . . . . 305 LEU C . 7313 1 653 . 1 1 199 199 LEU CA C 13 56.3 0.1 . 1 . . . . 305 LEU CA . 7313 1 654 . 1 1 199 199 LEU CB C 13 41 0.1 . 1 . . . . 305 LEU CB . 7313 1 655 . 1 1 199 199 LEU N N 15 116.3 0.02 . 1 . . . . 305 LEU N . 7313 1 656 . 1 1 200 200 THR H H 1 7.9 0.02 . 1 . . . . 306 THR HN . 7313 1 657 . 1 1 200 200 THR C C 13 172.6 0.1 . 1 . . . . 306 THR C . 7313 1 658 . 1 1 200 200 THR CA C 13 64.2 0.1 . 1 . . . . 306 THR CA . 7313 1 659 . 1 1 200 200 THR CB C 13 68.5 0.1 . 1 . . . . 306 THR CB . 7313 1 660 . 1 1 200 200 THR N N 15 113.4 0.02 . 1 . . . . 306 THR N . 7313 1 661 . 1 1 201 201 THR H H 1 7.1 0.02 . 1 . . . . 307 THR HN . 7313 1 662 . 1 1 201 201 THR C C 13 171.4 0.1 . 1 . . . . 307 THR C . 7313 1 663 . 1 1 201 201 THR CA C 13 64.4 0.1 . 1 . . . . 307 THR CA . 7313 1 664 . 1 1 201 201 THR CB C 13 68.3 0.1 . 1 . . . . 307 THR CB . 7313 1 665 . 1 1 201 201 THR N N 15 114.4 0.02 . 1 . . . . 307 THR N . 7313 1 666 . 1 1 202 202 PHE H H 1 7 0.02 . 1 . . . . 308 PHE HN . 7313 1 667 . 1 1 202 202 PHE C C 13 172 0.1 . 1 . . . . 308 PHE C . 7313 1 668 . 1 1 202 202 PHE CA C 13 58.3 0.1 . 1 . . . . 308 PHE CA . 7313 1 669 . 1 1 202 202 PHE CB C 13 40.9 0.1 . 1 . . . . 308 PHE CB . 7313 1 670 . 1 1 202 202 PHE N N 15 117.8 0.02 . 1 . . . . 308 PHE N . 7313 1 671 . 1 1 203 203 ILE H H 1 7.6 0.02 . 1 . . . . 309 ILE HN . 7313 1 672 . 1 1 203 203 ILE C C 13 173.7 0.1 . 1 . . . . 309 ILE C . 7313 1 673 . 1 1 203 203 ILE CA C 13 57.5 0.1 . 1 . . . . 309 ILE CA . 7313 1 674 . 1 1 203 203 ILE CB C 13 37.3 0.1 . 1 . . . . 309 ILE CB . 7313 1 675 . 1 1 203 203 ILE N N 15 118 0.02 . 1 . . . . 309 ILE N . 7313 1 676 . 1 1 204 204 PRO C C 13 175.2 0.1 . 1 . . . . 310 PRO C . 7313 1 677 . 1 1 205 205 LYS H H 1 8.1 0.02 . 1 . . . . 311 LYS HN . 7313 1 678 . 1 1 205 205 LYS C C 13 172.9 0.1 . 1 . . . . 311 LYS C . 7313 1 679 . 1 1 205 205 LYS CB C 13 30.7 0.1 . 1 . . . . 311 LYS CB . 7313 1 680 . 1 1 205 205 LYS N N 15 114.1 0.02 . 1 . . . . 311 LYS N . 7313 1 681 . 1 1 206 206 LEU H H 1 7.6 0.02 . 1 . . . . 312 LEU HN . 7313 1 682 . 1 1 206 206 LEU C C 13 172.4 0.1 . 1 . . . . 312 LEU C . 7313 1 683 . 1 1 206 206 LEU CA C 13 55.7 0.1 . 1 . . . . 312 LEU CA . 7313 1 684 . 1 1 206 206 LEU CB C 13 41.9 0.1 . 1 . . . . 312 LEU CB . 7313 1 685 . 1 1 206 206 LEU N N 15 121.4 0.02 . 1 . . . . 312 LEU N . 7313 1 686 . 1 1 207 207 THR H H 1 7.4 0.02 . 1 . . . . 313 THR HN . 7313 1 687 . 1 1 207 207 THR C C 13 169.1 0.1 . 1 . . . . 313 THR C . 7313 1 688 . 1 1 207 207 THR CA C 13 61 0.1 . 1 . . . . 313 THR CA . 7313 1 689 . 1 1 207 207 THR CB C 13 70.5 0.1 . 1 . . . . 313 THR CB . 7313 1 690 . 1 1 207 207 THR N N 15 121.3 0.02 . 1 . . . . 313 THR N . 7313 1 691 . 1 1 208 208 ILE H H 1 8.6 0.02 . 1 . . . . 314 ILE HN . 7313 1 692 . 1 1 208 208 ILE C C 13 173.2 0.1 . 1 . . . . 314 ILE C . 7313 1 693 . 1 1 208 208 ILE CA C 13 57.7 0.1 . 1 . . . . 314 ILE CA . 7313 1 694 . 1 1 208 208 ILE CB C 13 37.3 0.1 . 1 . . . . 314 ILE CB . 7313 1 695 . 1 1 208 208 ILE N N 15 125.5 0.02 . 1 . . . . 314 ILE N . 7313 1 696 . 1 1 209 209 GLY H H 1 9.3 0.02 . 1 . . . . 315 GLY HN . 7313 1 697 . 1 1 209 209 GLY C C 13 167.7 0.1 . 1 . . . . 315 GLY C . 7313 1 698 . 1 1 209 209 GLY CA C 13 42.9 0.1 . 1 . . . . 315 GLY CA . 7313 1 699 . 1 1 209 209 GLY N N 15 114.5 0.02 . 1 . . . . 315 GLY N . 7313 1 700 . 1 1 210 210 GLU H H 1 8.4 0.02 . 1 . . . . 316 GLU HN . 7313 1 701 . 1 1 210 210 GLU C C 13 173.3 0.1 . 1 . . . . 316 GLU C . 7313 1 702 . 1 1 210 210 GLU CA C 13 53.9 0.1 . 1 . . . . 316 GLU CA . 7313 1 703 . 1 1 210 210 GLU CB C 13 31.7 0.1 . 1 . . . . 316 GLU CB . 7313 1 704 . 1 1 210 210 GLU N N 15 119.4 0.02 . 1 . . . . 316 GLU N . 7313 1 705 . 1 1 211 211 LEU H H 1 8.2 0.02 . 1 . . . . 317 LEU HN . 7313 1 706 . 1 1 211 211 LEU C C 13 171.9 0.1 . 1 . . . . 317 LEU C . 7313 1 707 . 1 1 211 211 LEU CA C 13 53.7 0.1 . 1 . . . . 317 LEU CA . 7313 1 708 . 1 1 211 211 LEU CB C 13 41.1 0.1 . 1 . . . . 317 LEU CB . 7313 1 709 . 1 1 211 211 LEU N N 15 128.3 0.02 . 1 . . . . 317 LEU N . 7313 1 710 . 1 1 212 212 SER H H 1 8.5 0.02 . 1 . . . . 318 SER HN . 7313 1 711 . 1 1 212 212 SER C C 13 170 0.1 . 1 . . . . 318 SER C . 7313 1 712 . 1 1 212 212 SER CA C 13 56.7 0.1 . 1 . . . . 318 SER CA . 7313 1 713 . 1 1 212 212 SER CB C 13 64.5 0.1 . 1 . . . . 318 SER CB . 7313 1 714 . 1 1 212 212 SER N N 15 123 0.02 . 1 . . . . 318 SER N . 7313 1 715 . 1 1 213 213 ASP H H 1 8.3 0.02 . 1 . . . . 319 ASP HN . 7313 1 716 . 1 1 213 213 ASP C C 13 172.9 0.1 . 1 . . . . 319 ASP C . 7313 1 717 . 1 1 213 213 ASP CA C 13 55 0.1 . 1 . . . . 319 ASP CA . 7313 1 718 . 1 1 213 213 ASP CB C 13 40 0.1 . 1 . . . . 319 ASP CB . 7313 1 719 . 1 1 213 213 ASP N N 15 119.4 0.02 . 1 . . . . 319 ASP N . 7313 1 720 . 1 1 214 214 ASP H H 1 8.1 0.02 . 1 . . . . 320 ASP HN . 7313 1 721 . 1 1 214 214 ASP C C 13 171.1 0.1 . 1 . . . . 320 ASP C . 7313 1 722 . 1 1 214 214 ASP CA C 13 52.9 0.1 . 1 . . . . 320 ASP CA . 7313 1 723 . 1 1 214 214 ASP CB C 13 41.1 0.1 . 1 . . . . 320 ASP CB . 7313 1 724 . 1 1 214 214 ASP N N 15 119.2 0.02 . 1 . . . . 320 ASP N . 7313 1 725 . 1 1 215 215 SER H H 1 8.2 0.02 . 1 . . . . 321 SER HN . 7313 1 726 . 1 1 215 215 SER C C 13 171.1 0.1 . 1 . . . . 321 SER C . 7313 1 727 . 1 1 215 215 SER CA C 13 58.8 0.1 . 1 . . . . 321 SER CA . 7313 1 728 . 1 1 215 215 SER CB C 13 63.1 0.1 . 1 . . . . 321 SER CB . 7313 1 729 . 1 1 215 215 SER N N 15 119.5 0.02 . 1 . . . . 321 SER N . 7313 1 730 . 1 1 216 216 SER H H 1 8.5 0.02 . 1 . . . . 322 SER HN . 7313 1 731 . 1 1 216 216 SER C C 13 173.1 0.1 . 1 . . . . 322 SER C . 7313 1 732 . 1 1 216 216 SER CA C 13 60.6 0.1 . 1 . . . . 322 SER CA . 7313 1 733 . 1 1 216 216 SER CB C 13 63.3 0.1 . 1 . . . . 322 SER CB . 7313 1 734 . 1 1 216 216 SER N N 15 118.8 0.02 . 1 . . . . 322 SER N . 7313 1 735 . 1 1 217 217 ASN H H 1 8.4 0.02 . 1 . . . . 323 ASN HN . 7313 1 736 . 1 1 217 217 ASN C C 13 174.1 0.1 . 1 . . . . 323 ASN C . 7313 1 737 . 1 1 217 217 ASN CA C 13 54.8 0.1 . 1 . . . . 323 ASN CA . 7313 1 738 . 1 1 217 217 ASN CB C 13 37.7 0.1 . 1 . . . . 323 ASN CB . 7313 1 739 . 1 1 217 217 ASN N N 15 120.8 0.02 . 1 . . . . 323 ASN N . 7313 1 740 . 1 1 218 218 VAL H H 1 7.8 0.02 . 1 . . . . 324 VAL HN . 7313 1 741 . 1 1 218 218 VAL C C 13 174.1 0.1 . 1 . . . . 324 VAL C . 7313 1 742 . 1 1 218 218 VAL CA C 13 65.3 0.1 . 1 . . . . 324 VAL CA . 7313 1 743 . 1 1 218 218 VAL CB C 13 30.7 0.1 . 1 . . . . 324 VAL CB . 7313 1 744 . 1 1 218 218 VAL N N 15 120.2 0.02 . 1 . . . . 324 VAL N . 7313 1 745 . 1 1 219 219 ALA H H 1 6.9 0.02 . 1 . . . . 325 ALA HN . 7313 1 746 . 1 1 219 219 ALA C C 13 176.5 0.1 . 1 . . . . 325 ALA C . 7313 1 747 . 1 1 219 219 ALA CA C 13 55 0.1 . 1 . . . . 325 ALA CA . 7313 1 748 . 1 1 219 219 ALA CB C 13 17.4 0.1 . 1 . . . . 325 ALA CB . 7313 1 749 . 1 1 219 219 ALA N N 15 121.7 0.02 . 1 . . . . 325 ALA N . 7313 1 750 . 1 1 220 220 GLN H H 1 7.8 0.02 . 1 . . . . 326 GLN HN . 7313 1 751 . 1 1 220 220 GLN C C 13 174.6 0.1 . 1 . . . . 326 GLN C . 7313 1 752 . 1 1 220 220 GLN CA C 13 57.7 0.1 . 1 . . . . 326 GLN CA . 7313 1 753 . 1 1 220 220 GLN CB C 13 27.5 0.1 . 1 . . . . 326 GLN CB . 7313 1 754 . 1 1 220 220 GLN N N 15 117.1 0.02 . 1 . . . . 326 GLN N . 7313 1 755 . 1 1 221 221 LEU H H 1 7.6 0.02 . 1 . . . . 327 LEU HN . 7313 1 756 . 1 1 221 221 LEU C C 13 177.1 0.1 . 1 . . . . 327 LEU C . 7313 1 757 . 1 1 221 221 LEU CA C 13 57.5 0.1 . 1 . . . . 327 LEU CA . 7313 1 758 . 1 1 221 221 LEU CB C 13 40.6 0.1 . 1 . . . . 327 LEU CB . 7313 1 759 . 1 1 221 221 LEU N N 15 119.6 0.02 . 1 . . . . 327 LEU N . 7313 1 760 . 1 1 222 222 ILE H H 1 7.3 0.02 . 1 . . . . 328 ILE HN . 7313 1 761 . 1 1 222 222 ILE C C 13 174.1 0.1 . 1 . . . . 328 ILE C . 7313 1 762 . 1 1 222 222 ILE CA C 13 62.9 0.1 . 1 . . . . 328 ILE CA . 7313 1 763 . 1 1 222 222 ILE CB C 13 35.8 0.1 . 1 . . . . 328 ILE CB . 7313 1 764 . 1 1 222 222 ILE N N 15 118.8 0.02 . 1 . . . . 328 ILE N . 7313 1 765 . 1 1 223 223 ARG H H 1 7.7 0.02 . 1 . . . . 329 ARG HN . 7313 1 766 . 1 1 223 223 ARG C C 13 176.5 0.1 . 1 . . . . 329 ARG C . 7313 1 767 . 1 1 223 223 ARG CA C 13 59.5 0.1 . 1 . . . . 329 ARG CA . 7313 1 768 . 1 1 223 223 ARG CB C 13 29.4 0.1 . 1 . . . . 329 ARG CB . 7313 1 769 . 1 1 223 223 ARG N N 15 119 0.02 . 1 . . . . 329 ARG N . 7313 1 770 . 1 1 224 224 ASN H H 1 8.6 0.02 . 1 . . . . 330 ASN HN . 7313 1 771 . 1 1 224 224 ASN C C 13 174.6 0.1 . 1 . . . . 330 ASN C . 7313 1 772 . 1 1 224 224 ASN CA C 13 54.8 0.1 . 1 . . . . 330 ASN CA . 7313 1 773 . 1 1 224 224 ASN CB C 13 37.6 0.1 . 1 . . . . 330 ASN CB . 7313 1 774 . 1 1 224 224 ASN N N 15 118.2 0.02 . 1 . . . . 330 ASN N . 7313 1 775 . 1 1 225 225 ALA H H 1 7.9 0.02 . 1 . . . . 331 ALA HN . 7313 1 776 . 1 1 225 225 ALA C C 13 176.9 0.1 . 1 . . . . 331 ALA C . 7313 1 777 . 1 1 225 225 ALA CA C 13 54.2 0.1 . 1 . . . . 331 ALA CA . 7313 1 778 . 1 1 225 225 ALA CB C 13 18.2 0.1 . 1 . . . . 331 ALA CB . 7313 1 779 . 1 1 225 225 ALA N N 15 123.1 0.02 . 1 . . . . 331 ALA N . 7313 1 780 . 1 1 226 226 TYR H H 1 8.4 0.02 . 1 . . . . 332 TYR HN . 7313 1 781 . 1 1 226 226 TYR C C 13 174.2 0.1 . 1 . . . . 332 TYR C . 7313 1 782 . 1 1 226 226 TYR CA C 13 60.1 0.1 . 1 . . . . 332 TYR CA . 7313 1 783 . 1 1 226 226 TYR CB C 13 38.6 0.1 . 1 . . . . 332 TYR CB . 7313 1 784 . 1 1 226 226 TYR N N 15 118.3 0.02 . 1 . . . . 332 TYR N . 7313 1 785 . 1 1 227 227 SER H H 1 7.9 0.02 . 1 . . . . 333 SER HN . 7313 1 786 . 1 1 227 227 SER C C 13 171.7 0.1 . 1 . . . . 333 SER C . 7313 1 787 . 1 1 227 227 SER CA C 13 59.7 0.1 . 1 . . . . 333 SER CA . 7313 1 788 . 1 1 227 227 SER CB C 13 63.5 0.1 . 1 . . . . 333 SER CB . 7313 1 789 . 1 1 227 227 SER N N 15 115.1 0.02 . 1 . . . . 333 SER N . 7313 1 790 . 1 1 228 228 LYS H H 1 7.5 0.02 . 1 . . . . 334 LYS HN . 7313 1 791 . 1 1 228 228 LYS C C 13 173.6 0.1 . 1 . . . . 334 LYS C . 7313 1 792 . 1 1 228 228 LYS CA C 13 56.1 0.1 . 1 . . . . 334 LYS CA . 7313 1 793 . 1 1 228 228 LYS CB C 13 32 0.1 . 1 . . . . 334 LYS CB . 7313 1 794 . 1 1 228 228 LYS N N 15 121.2 0.02 . 1 . . . . 334 LYS N . 7313 1 795 . 1 1 229 229 LEU H H 1 7.7 0.02 . 1 . . . . 335 LEU HN . 7313 1 796 . 1 1 229 229 LEU C C 13 173.6 0.1 . 1 . . . . 335 LEU C . 7313 1 797 . 1 1 229 229 LEU CA C 13 54.9 0.1 . 1 . . . . 335 LEU CA . 7313 1 798 . 1 1 229 229 LEU CB C 13 41.4 0.1 . 1 . . . . 335 LEU CB . 7313 1 799 . 1 1 229 229 LEU N N 15 122.1 0.02 . 1 . . . . 335 LEU N . 7313 1 800 . 1 1 230 230 SER H H 1 7.6 0.02 . 1 . . . . 336 SER HN . 7313 1 801 . 1 1 230 230 SER C C 13 175.5 0.1 . 1 . . . . 336 SER C . 7313 1 802 . 1 1 230 230 SER CA C 13 59.6 0.1 . 1 . . . . 336 SER CA . 7313 1 803 . 1 1 230 230 SER CB C 13 64.8 0.1 . 1 . . . . 336 SER CB . 7313 1 804 . 1 1 230 230 SER N N 15 121.6 0.02 . 1 . . . . 336 SER N . 7313 1 stop_ save_