data_7162 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 7162 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID . . 'Interactions with different ligands' 'the data were used to study binding to the calnexin P-domain' 7162 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7162 _Entry.Title ; 1H and 15N assignments for the b' domain of ERp57 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-06-09 _Entry.Accession_date 2006-06-09 _Entry.Last_release_date 2006-10-30 _Entry.Original_release_date 2006-10-30 _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 . _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 Guennadi Kozlov . . . 7162 2 Pekka Maattanen . . . 7162 3 Joseph Schrag . D. . 7162 4 Stephanie Pollock . . . 7162 5 Miroslaw Cygler . . . 7162 6 Bhushan Nagar . . . 7162 7 David Thomas . Y. . 7162 8 Kalle Gehring . . . 7162 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7162 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 123 7162 '1H chemical shifts' 123 7162 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 1 . . 2006-10-30 2006-06-09 original author . 7162 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7162 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16905107 _Citation.Full_citation . _Citation.Title "Crystal structure of the bb' domains of the protein disulfide isomerase, ERp57" _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 14 _Citation.Journal_issue 8 _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 1331 _Citation.Page_last 1339 _Citation.Year 2006 _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 Guennadi Kozlov . . . 7162 1 2 Pekka Maattanen . . . 7162 1 3 Joseph Schrag . D. . 7162 1 4 Stephanie Pollock . . . 7162 1 5 Miroslaw Cygler . . . 7162 1 6 Bhushan Nagar . . . 7162 1 7 David Thomas . Y. . 7162 1 8 Kalle Gehring . . . 7162 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7162 _Assembly.ID 1 _Assembly.Name "b' domain of ERp57" _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 free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 "b' domain of ERp57" 1 $b_prime_domain . . yes native no no . . . 7162 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_b_prime_domain _Entity.Sf_category entity _Entity.Sf_framecode b_prime_domain _Entity.Entry_ID 7162 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name "b' 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 ; GPLGSFGICPHMTEDNKDLI QGKDLLIAYYDVDYEKNAKG SNYWRNRVMMVAKKFLDAGH KLNFAVASRKTFSHELSDFG LESTAGEIPVVAIRTAKGEK FVMQEEFSRDGKALERFLQD YFDGNLKRYLKSEPIPESND GAAAS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 145 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _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 BMRB 17224 . ERp57 . . . . . 93.79 505 100.00 100.00 3.14e-91 . . . . 7162 1 2 no PDB 2H8L . "Crystal Structure Of The Bb' Fragment Of Erp57" . . . . . 96.55 252 97.14 97.14 4.99e-93 . . . . 7162 1 3 no PDB 3F8U . "TapasinERP57 HETERODIMER" . . . . . 93.79 481 100.00 100.00 2.03e-91 . . . . 7162 1 4 no DBJ BAA03759 . "phospholipase C-alpha [Homo sapiens]" . . . . . 93.79 505 97.06 98.53 1.47e-87 . . . . 7162 1 5 no DBJ BAA11928 . "ER-60 protease [Homo sapiens]" . . . . . 93.79 505 100.00 100.00 4.88e-91 . . . . 7162 1 6 no DBJ BAG52144 . "unnamed protein product [Homo sapiens]" . . . . . 93.79 485 100.00 100.00 2.46e-91 . . . . 7162 1 7 no DBJ BAG52151 . "unnamed protein product [Homo sapiens]" . . . . . 93.79 480 100.00 100.00 2.35e-91 . . . . 7162 1 8 no DBJ BAG56782 . "unnamed protein product [Homo sapiens]" . . . . . 95.17 279 97.83 97.83 6.17e-93 . . . . 7162 1 9 no EMBL CAA89996 . "protein disulfide isomerase [Homo sapiens]" . . . . . 93.79 505 100.00 100.00 4.20e-91 . . . . 7162 1 10 no EMBL CAH90193 . "hypothetical protein [Pongo abelii]" . . . . . 93.79 505 100.00 100.00 3.14e-91 . . . . 7162 1 11 no GB AAB37397 . "H-ERp60=protein disulphide isomerase isoform/multifunctional endoplasmic reticulum luminal polypeptide [human, heart, Peptide, " . . . . . 93.79 505 100.00 100.00 3.14e-91 . . . . 7162 1 12 no GB AAC50331 . "P58 [Homo sapiens]" . . . . . 93.79 505 100.00 100.00 3.14e-91 . . . . 7162 1 13 no GB AAC51518 . "ER-60 protein [Homo sapiens]" . . . . . 93.79 505 99.26 100.00 2.02e-90 . . . . 7162 1 14 no GB AAH14433 . "Protein disulfide isomerase family A, member 3 [Homo sapiens]" . . . . . 93.79 505 100.00 100.00 3.14e-91 . . . . 7162 1 15 no GB AAH36000 . "Protein disulfide isomerase family A, member 3 [Homo sapiens]" . . . . . 93.79 505 100.00 100.00 3.14e-91 . . . . 7162 1 16 no PRF 2201310A . "microsomal protein P58" . . . . . 93.79 505 100.00 100.00 3.14e-91 . . . . 7162 1 17 no PRF 2209333A . "protein disulfide isomerase" . . . . . 93.79 505 100.00 100.00 4.20e-91 . . . . 7162 1 18 no REF NP_001127250 . "protein disulfide-isomerase A3 precursor [Pongo abelii]" . . . . . 93.79 505 100.00 100.00 3.14e-91 . . . . 7162 1 19 no REF NP_001162437 . "protein disulfide-isomerase A3 precursor [Papio anubis]" . . . . . 93.79 505 100.00 100.00 3.46e-91 . . . . 7162 1 20 no REF NP_001164786 . "protein disulfide-isomerase A3 precursor [Oryctolagus cuniculus]" . . . . . 93.79 502 97.79 99.26 7.16e-90 . . . . 7162 1 21 no REF NP_001182041 . "protein disulfide-isomerase A3 precursor [Sus scrofa]" . . . . . 93.79 505 98.53 99.26 3.03e-89 . . . . 7162 1 22 no REF NP_001182645 . "protein disulfide-isomerase A3 precursor [Macaca mulatta]" . . . . . 93.79 505 100.00 100.00 3.46e-91 . . . . 7162 1 23 no SP P30101 . "RecName: Full=Protein disulfide-isomerase A3; AltName: Full=58 kDa glucose-regulated protein; AltName: Full=58 kDa microsomal p" . . . . . 93.79 505 100.00 100.00 3.14e-91 . . . . 7162 1 24 no SP Q4VIT4 . "RecName: Full=Protein disulfide-isomerase A3; AltName: Full=Endoplasmic reticulum resident protein 57; Short=ER protein 57; Sho" . . . . . 93.79 505 100.00 100.00 3.46e-91 . . . . 7162 1 25 no SP Q5RDG4 . "RecName: Full=Protein disulfide-isomerase A3; Flags: Precursor [Pongo abelii]" . . . . . 93.79 505 100.00 100.00 3.14e-91 . . . . 7162 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID ERp57 . 7162 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 1 236 GLY . 7162 1 2 237 PRO . 7162 1 3 238 LEU . 7162 1 4 239 GLY . 7162 1 5 240 SER . 7162 1 6 241 PHE . 7162 1 7 242 GLY . 7162 1 8 243 ILE . 7162 1 9 244 CYS . 7162 1 10 245 PRO . 7162 1 11 246 HIS . 7162 1 12 247 MET . 7162 1 13 248 THR . 7162 1 14 249 GLU . 7162 1 15 250 ASP . 7162 1 16 251 ASN . 7162 1 17 252 LYS . 7162 1 18 253 ASP . 7162 1 19 254 LEU . 7162 1 20 255 ILE . 7162 1 21 256 GLN . 7162 1 22 257 GLY . 7162 1 23 258 LYS . 7162 1 24 259 ASP . 7162 1 25 260 LEU . 7162 1 26 261 LEU . 7162 1 27 262 ILE . 7162 1 28 263 ALA . 7162 1 29 264 TYR . 7162 1 30 265 TYR . 7162 1 31 266 ASP . 7162 1 32 267 VAL . 7162 1 33 268 ASP . 7162 1 34 269 TYR . 7162 1 35 270 GLU . 7162 1 36 271 LYS . 7162 1 37 272 ASN . 7162 1 38 273 ALA . 7162 1 39 274 LYS . 7162 1 40 275 GLY . 7162 1 41 276 SER . 7162 1 42 277 ASN . 7162 1 43 278 TYR . 7162 1 44 279 TRP . 7162 1 45 280 ARG . 7162 1 46 281 ASN . 7162 1 47 282 ARG . 7162 1 48 283 VAL . 7162 1 49 284 MET . 7162 1 50 285 MET . 7162 1 51 286 VAL . 7162 1 52 287 ALA . 7162 1 53 288 LYS . 7162 1 54 289 LYS . 7162 1 55 290 PHE . 7162 1 56 291 LEU . 7162 1 57 292 ASP . 7162 1 58 293 ALA . 7162 1 59 294 GLY . 7162 1 60 295 HIS . 7162 1 61 296 LYS . 7162 1 62 297 LEU . 7162 1 63 298 ASN . 7162 1 64 299 PHE . 7162 1 65 300 ALA . 7162 1 66 301 VAL . 7162 1 67 302 ALA . 7162 1 68 303 SER . 7162 1 69 304 ARG . 7162 1 70 305 LYS . 7162 1 71 306 THR . 7162 1 72 307 PHE . 7162 1 73 308 SER . 7162 1 74 309 HIS . 7162 1 75 310 GLU . 7162 1 76 311 LEU . 7162 1 77 312 SER . 7162 1 78 313 ASP . 7162 1 79 314 PHE . 7162 1 80 315 GLY . 7162 1 81 316 LEU . 7162 1 82 317 GLU . 7162 1 83 318 SER . 7162 1 84 319 THR . 7162 1 85 320 ALA . 7162 1 86 321 GLY . 7162 1 87 322 GLU . 7162 1 88 323 ILE . 7162 1 89 324 PRO . 7162 1 90 325 VAL . 7162 1 91 326 VAL . 7162 1 92 327 ALA . 7162 1 93 328 ILE . 7162 1 94 329 ARG . 7162 1 95 330 THR . 7162 1 96 331 ALA . 7162 1 97 332 LYS . 7162 1 98 333 GLY . 7162 1 99 334 GLU . 7162 1 100 335 LYS . 7162 1 101 336 PHE . 7162 1 102 337 VAL . 7162 1 103 338 MET . 7162 1 104 339 GLN . 7162 1 105 340 GLU . 7162 1 106 341 GLU . 7162 1 107 342 PHE . 7162 1 108 343 SER . 7162 1 109 344 ARG . 7162 1 110 345 ASP . 7162 1 111 346 GLY . 7162 1 112 347 LYS . 7162 1 113 348 ALA . 7162 1 114 349 LEU . 7162 1 115 350 GLU . 7162 1 116 351 ARG . 7162 1 117 352 PHE . 7162 1 118 353 LEU . 7162 1 119 354 GLN . 7162 1 120 355 ASP . 7162 1 121 356 TYR . 7162 1 122 357 PHE . 7162 1 123 358 ASP . 7162 1 124 359 GLY . 7162 1 125 360 ASN . 7162 1 126 361 LEU . 7162 1 127 362 LYS . 7162 1 128 363 ARG . 7162 1 129 364 TYR . 7162 1 130 365 LEU . 7162 1 131 366 LYS . 7162 1 132 367 SER . 7162 1 133 368 GLU . 7162 1 134 369 PRO . 7162 1 135 370 ILE . 7162 1 136 371 PRO . 7162 1 137 372 GLU . 7162 1 138 373 SER . 7162 1 139 374 ASN . 7162 1 140 375 ASP . 7162 1 141 376 GLY . 7162 1 142 377 ALA . 7162 1 143 378 ALA . 7162 1 144 379 ALA . 7162 1 145 380 SER . 7162 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 7162 1 . PRO 2 2 7162 1 . LEU 3 3 7162 1 . GLY 4 4 7162 1 . SER 5 5 7162 1 . PHE 6 6 7162 1 . GLY 7 7 7162 1 . ILE 8 8 7162 1 . CYS 9 9 7162 1 . PRO 10 10 7162 1 . HIS 11 11 7162 1 . MET 12 12 7162 1 . THR 13 13 7162 1 . GLU 14 14 7162 1 . ASP 15 15 7162 1 . ASN 16 16 7162 1 . LYS 17 17 7162 1 . ASP 18 18 7162 1 . LEU 19 19 7162 1 . ILE 20 20 7162 1 . GLN 21 21 7162 1 . GLY 22 22 7162 1 . LYS 23 23 7162 1 . ASP 24 24 7162 1 . LEU 25 25 7162 1 . LEU 26 26 7162 1 . ILE 27 27 7162 1 . ALA 28 28 7162 1 . TYR 29 29 7162 1 . TYR 30 30 7162 1 . ASP 31 31 7162 1 . VAL 32 32 7162 1 . ASP 33 33 7162 1 . TYR 34 34 7162 1 . GLU 35 35 7162 1 . LYS 36 36 7162 1 . ASN 37 37 7162 1 . ALA 38 38 7162 1 . LYS 39 39 7162 1 . GLY 40 40 7162 1 . SER 41 41 7162 1 . ASN 42 42 7162 1 . TYR 43 43 7162 1 . TRP 44 44 7162 1 . ARG 45 45 7162 1 . ASN 46 46 7162 1 . ARG 47 47 7162 1 . VAL 48 48 7162 1 . MET 49 49 7162 1 . MET 50 50 7162 1 . VAL 51 51 7162 1 . ALA 52 52 7162 1 . LYS 53 53 7162 1 . LYS 54 54 7162 1 . PHE 55 55 7162 1 . LEU 56 56 7162 1 . ASP 57 57 7162 1 . ALA 58 58 7162 1 . GLY 59 59 7162 1 . HIS 60 60 7162 1 . LYS 61 61 7162 1 . LEU 62 62 7162 1 . ASN 63 63 7162 1 . PHE 64 64 7162 1 . ALA 65 65 7162 1 . VAL 66 66 7162 1 . ALA 67 67 7162 1 . SER 68 68 7162 1 . ARG 69 69 7162 1 . LYS 70 70 7162 1 . THR 71 71 7162 1 . PHE 72 72 7162 1 . SER 73 73 7162 1 . HIS 74 74 7162 1 . GLU 75 75 7162 1 . LEU 76 76 7162 1 . SER 77 77 7162 1 . ASP 78 78 7162 1 . PHE 79 79 7162 1 . GLY 80 80 7162 1 . LEU 81 81 7162 1 . GLU 82 82 7162 1 . SER 83 83 7162 1 . THR 84 84 7162 1 . ALA 85 85 7162 1 . GLY 86 86 7162 1 . GLU 87 87 7162 1 . ILE 88 88 7162 1 . PRO 89 89 7162 1 . VAL 90 90 7162 1 . VAL 91 91 7162 1 . ALA 92 92 7162 1 . ILE 93 93 7162 1 . ARG 94 94 7162 1 . THR 95 95 7162 1 . ALA 96 96 7162 1 . LYS 97 97 7162 1 . GLY 98 98 7162 1 . GLU 99 99 7162 1 . LYS 100 100 7162 1 . PHE 101 101 7162 1 . VAL 102 102 7162 1 . MET 103 103 7162 1 . GLN 104 104 7162 1 . GLU 105 105 7162 1 . GLU 106 106 7162 1 . PHE 107 107 7162 1 . SER 108 108 7162 1 . ARG 109 109 7162 1 . ASP 110 110 7162 1 . GLY 111 111 7162 1 . LYS 112 112 7162 1 . ALA 113 113 7162 1 . LEU 114 114 7162 1 . GLU 115 115 7162 1 . ARG 116 116 7162 1 . PHE 117 117 7162 1 . LEU 118 118 7162 1 . GLN 119 119 7162 1 . ASP 120 120 7162 1 . TYR 121 121 7162 1 . PHE 122 122 7162 1 . ASP 123 123 7162 1 . GLY 124 124 7162 1 . ASN 125 125 7162 1 . LEU 126 126 7162 1 . LYS 127 127 7162 1 . ARG 128 128 7162 1 . TYR 129 129 7162 1 . LEU 130 130 7162 1 . LYS 131 131 7162 1 . SER 132 132 7162 1 . GLU 133 133 7162 1 . PRO 134 134 7162 1 . ILE 135 135 7162 1 . PRO 136 136 7162 1 . GLU 137 137 7162 1 . SER 138 138 7162 1 . ASN 139 139 7162 1 . ASP 140 140 7162 1 . GLY 141 141 7162 1 . ALA 142 142 7162 1 . ALA 143 143 7162 1 . ALA 144 144 7162 1 . SER 145 145 7162 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 7162 _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 $b_prime_domain . 9606 . no . Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 7162 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 7162 _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 $b_prime_domain . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7162 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7162 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _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 "b' domain" . . . 1 $b_prime_domain . . 1 . . mM . . . . 7162 1 2 'phosphate buffer' . . . . . . . 50 . . mM . . . . 7162 1 3 NaCl . . . . . . . 100 . . mM . . . . 7162 1 4 DTT . . . . . . . 1 . . mM . . . . 7162 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 7162 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _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 "b' domain" [U-15N] . . 1 $b_prime_domain . . 1 . . mM . . . . 7162 2 2 'phosphate buffer' . . . . . . . 50 . . mM . . . . 7162 2 3 NaCl . . . . . . . 100 . . mM . . . . 7162 2 4 DTT . . . . . . . 1 . . mM . . . . 7162 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 7162 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _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 "b' domain" '[U-13C; U-15N]' . . 1 $b_prime_domain . . 1 . . mM . . . . 7162 3 2 'phosphate buffer' . . . . . . . 50 . . mM . . . . 7162 3 3 NaCl . . . . . . . 100 . . mM . . . . 7162 3 4 DTT . . . . . . . 1 . . mM . . . . 7162 3 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7162 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.8 0.1 pH 7162 1 temperature 303 0.1 K 7162 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 7162 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_800MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800MHz_spectrometer _NMR_spectrometer.Entry_ID 7162 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 7162 _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 HNCACB no . . . . . . . . . . 3 $sample_3 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7162 1 2 CBCA(CO)NH no . . . . . . . . . . 3 $sample_3 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7162 1 3 15N-NOESY no . . . . . . . . . . 2 $sample_2 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7162 1 stop_ 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 7162 _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 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 7162 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 7162 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 7162 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 7162 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 isotropic 7162 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 7 7 GLY H H 1 8.22 0.01 . 1 . . . . 242 GLY HN . 7162 1 2 . 1 1 7 7 GLY N N 15 109.1 0.25 . 1 . . . . 242 GLY N . 7162 1 3 . 1 1 11 11 HIS H H 1 8.27 0.01 . 1 . . . . 246 HIS HN . 7162 1 4 . 1 1 11 11 HIS N N 15 115.3 0.25 . 1 . . . . 246 HIS N . 7162 1 5 . 1 1 13 13 THR H H 1 7.11 0.01 . 1 . . . . 248 THR HN . 7162 1 6 . 1 1 13 13 THR N N 15 125.0 0.25 . 1 . . . . 248 THR N . 7162 1 7 . 1 1 15 15 ASP H H 1 7.94 0.01 . 1 . . . . 250 ASP HN . 7162 1 8 . 1 1 15 15 ASP N N 15 114.9 0.25 . 1 . . . . 250 ASP N . 7162 1 9 . 1 1 16 16 ASN H H 1 7.51 0.01 . 1 . . . . 251 ASN HN . 7162 1 10 . 1 1 16 16 ASN N N 15 115.7 0.25 . 1 . . . . 251 ASN N . 7162 1 11 . 1 1 17 17 LYS H H 1 7.66 0.01 . 1 . . . . 252 LYS HN . 7162 1 12 . 1 1 17 17 LYS N N 15 119.8 0.25 . 1 . . . . 252 LYS N . 7162 1 13 . 1 1 18 18 ASP H H 1 8.45 0.01 . 1 . . . . 253 ASP HN . 7162 1 14 . 1 1 18 18 ASP N N 15 118.1 0.25 . 1 . . . . 253 ASP N . 7162 1 15 . 1 1 19 19 LEU H H 1 7.65 0.01 . 1 . . . . 254 LEU HN . 7162 1 16 . 1 1 19 19 LEU N N 15 118.7 0.25 . 1 . . . . 254 LEU N . 7162 1 17 . 1 1 20 20 ILE H H 1 7.43 0.01 . 1 . . . . 255 ILE HN . 7162 1 18 . 1 1 20 20 ILE N N 15 117.8 0.25 . 1 . . . . 255 ILE N . 7162 1 19 . 1 1 21 21 GLN H H 1 7.77 0.01 . 1 . . . . 256 GLN HN . 7162 1 20 . 1 1 21 21 GLN N N 15 116.7 0.25 . 1 . . . . 256 GLN N . 7162 1 21 . 1 1 22 22 GLY H H 1 8.30 0.01 . 1 . . . . 257 GLY HN . 7162 1 22 . 1 1 22 22 GLY N N 15 107.8 0.25 . 1 . . . . 257 GLY N . 7162 1 23 . 1 1 23 23 LYS H H 1 7.22 0.01 . 1 . . . . 258 LYS HN . 7162 1 24 . 1 1 23 23 LYS N N 15 118.1 0.25 . 1 . . . . 258 LYS N . 7162 1 25 . 1 1 24 24 ASP H H 1 8.38 0.01 . 1 . . . . 259 ASP HN . 7162 1 26 . 1 1 24 24 ASP N N 15 120.6 0.25 . 1 . . . . 259 ASP N . 7162 1 27 . 1 1 25 25 LEU H H 1 8.35 0.01 . 1 . . . . 260 LEU HN . 7162 1 28 . 1 1 25 25 LEU N N 15 127.2 0.25 . 1 . . . . 260 LEU N . 7162 1 29 . 1 1 26 26 LEU H H 1 8.62 0.01 . 1 . . . . 261 LEU HN . 7162 1 30 . 1 1 26 26 LEU N N 15 129.4 0.25 . 1 . . . . 261 LEU N . 7162 1 31 . 1 1 27 27 ILE H H 1 8.99 0.01 . 1 . . . . 262 ILE HN . 7162 1 32 . 1 1 27 27 ILE N N 15 125.2 0.25 . 1 . . . . 262 ILE N . 7162 1 33 . 1 1 28 28 ALA H H 1 7.87 0.01 . 1 . . . . 263 ALA HN . 7162 1 34 . 1 1 28 28 ALA N N 15 126.7 0.25 . 1 . . . . 263 ALA N . 7162 1 35 . 1 1 29 29 TYR H H 1 9.23 0.01 . 1 . . . . 264 TYR HN . 7162 1 36 . 1 1 29 29 TYR N N 15 121.0 0.25 . 1 . . . . 264 TYR N . 7162 1 37 . 1 1 30 30 TYR H H 1 8.37 0.01 . 1 . . . . 265 TYR HN . 7162 1 38 . 1 1 30 30 TYR N N 15 117.9 0.25 . 1 . . . . 265 TYR N . 7162 1 39 . 1 1 31 31 ASP H H 1 8.99 0.01 . 1 . . . . 266 ASP HN . 7162 1 40 . 1 1 31 31 ASP N N 15 123.7 0.25 . 1 . . . . 266 ASP N . 7162 1 41 . 1 1 32 32 VAL H H 1 8.17 0.01 . 1 . . . . 267 VAL HN . 7162 1 42 . 1 1 32 32 VAL N N 15 125.7 0.25 . 1 . . . . 267 VAL N . 7162 1 43 . 1 1 33 33 ASP H H 1 8.33 0.01 . 1 . . . . 268 ASP HN . 7162 1 44 . 1 1 33 33 ASP N N 15 127.7 0.25 . 1 . . . . 268 ASP N . 7162 1 45 . 1 1 34 34 TYR H H 1 9.34 0.01 . 1 . . . . 269 TYR HN . 7162 1 46 . 1 1 34 34 TYR N N 15 118.6 0.25 . 1 . . . . 269 TYR N . 7162 1 47 . 1 1 35 35 GLU H H 1 8.18 0.01 . 1 . . . . 270 GLU HN . 7162 1 48 . 1 1 35 35 GLU N N 15 119.7 0.25 . 1 . . . . 270 GLU N . 7162 1 49 . 1 1 36 36 LYS H H 1 7.96 0.01 . 1 . . . . 271 LYS HN . 7162 1 50 . 1 1 36 36 LYS N N 15 117.1 0.25 . 1 . . . . 271 LYS N . 7162 1 51 . 1 1 37 37 ASN H H 1 7.76 0.01 . 1 . . . . 272 ASN HN . 7162 1 52 . 1 1 37 37 ASN N N 15 115.3 0.25 . 1 . . . . 272 ASN N . 7162 1 53 . 1 1 38 38 ALA H H 1 9.07 0.01 . 1 . . . . 273 ALA HN . 7162 1 54 . 1 1 38 38 ALA N N 15 113.5 0.25 . 1 . . . . 273 ALA N . 7162 1 55 . 1 1 40 40 GLY H H 1 7.92 0.01 . 1 . . . . 275 GLY HN . 7162 1 56 . 1 1 40 40 GLY N N 15 116.5 0.25 . 1 . . . . 275 GLY N . 7162 1 57 . 1 1 41 41 SER H H 1 8.14 0.01 . 1 . . . . 276 SER HN . 7162 1 58 . 1 1 41 41 SER N N 15 108.5 0.25 . 1 . . . . 276 SER N . 7162 1 59 . 1 1 44 44 TRP HE1 H 1 10.08 0.01 . 1 . . . . 279 TRP HE1 . 7162 1 60 . 1 1 44 44 TRP NE1 N 15 129.3 0.25 . 1 . . . . 279 TRP NE1 . 7162 1 61 . 1 1 45 45 ARG H H 1 7.66 0.01 . 1 . . . . 280 ARG HN . 7162 1 62 . 1 1 45 45 ARG N N 15 124.9 0.25 . 1 . . . . 280 ARG N . 7162 1 63 . 1 1 46 46 ASN H H 1 8.48 0.01 . 1 . . . . 281 ASN HN . 7162 1 64 . 1 1 46 46 ASN N N 15 116.2 0.25 . 1 . . . . 281 ASN N . 7162 1 65 . 1 1 47 47 ARG H H 1 7.37 0.01 . 1 . . . . 282 ARG HN . 7162 1 66 . 1 1 47 47 ARG N N 15 119.2 0.25 . 1 . . . . 282 ARG N . 7162 1 67 . 1 1 48 48 VAL H H 1 7.96 0.01 . 1 . . . . 283 VAL HN . 7162 1 68 . 1 1 48 48 VAL N N 15 117.8 0.25 . 1 . . . . 283 VAL N . 7162 1 69 . 1 1 49 49 MET H H 1 8.44 0.01 . 1 . . . . 284 MET HN . 7162 1 70 . 1 1 49 49 MET N N 15 116.9 0.25 . 1 . . . . 284 MET N . 7162 1 71 . 1 1 50 50 MET H H 1 7.99 0.01 . 1 . . . . 285 MET HN . 7162 1 72 . 1 1 50 50 MET N N 15 117.9 0.25 . 1 . . . . 285 MET N . 7162 1 73 . 1 1 51 51 VAL H H 1 7.24 0.01 . 1 . . . . 286 VAL HN . 7162 1 74 . 1 1 51 51 VAL N N 15 119.6 0.25 . 1 . . . . 286 VAL N . 7162 1 75 . 1 1 52 52 ALA H H 1 8.50 0.01 . 1 . . . . 287 ALA HN . 7162 1 76 . 1 1 52 52 ALA N N 15 121.0 0.25 . 1 . . . . 287 ALA N . 7162 1 77 . 1 1 53 53 LYS H H 1 8.00 0.01 . 1 . . . . 288 LYS HN . 7162 1 78 . 1 1 53 53 LYS N N 15 115.3 0.25 . 1 . . . . 288 LYS N . 7162 1 79 . 1 1 54 54 LYS H H 1 7.17 0.01 . 1 . . . . 289 LYS HN . 7162 1 80 . 1 1 54 54 LYS N N 15 116.3 0.25 . 1 . . . . 289 LYS N . 7162 1 81 . 1 1 55 55 PHE H H 1 7.50 0.01 . 1 . . . . 290 PHE HN . 7162 1 82 . 1 1 55 55 PHE N N 15 116.7 0.25 . 1 . . . . 290 PHE N . 7162 1 83 . 1 1 56 56 LEU H H 1 8.78 0.01 . 1 . . . . 291 LEU HN . 7162 1 84 . 1 1 56 56 LEU N N 15 122.6 0.25 . 1 . . . . 291 LEU N . 7162 1 85 . 1 1 57 57 ASP H H 1 8.88 0.01 . 1 . . . . 292 ASP HN . 7162 1 86 . 1 1 57 57 ASP N N 15 121.4 0.25 . 1 . . . . 292 ASP N . 7162 1 87 . 1 1 58 58 ALA H H 1 7.01 0.01 . 1 . . . . 293 ALA HN . 7162 1 88 . 1 1 58 58 ALA N N 15 119.6 0.25 . 1 . . . . 293 ALA N . 7162 1 89 . 1 1 59 59 GLY H H 1 7.64 0.01 . 1 . . . . 294 GLY HN . 7162 1 90 . 1 1 59 59 GLY N N 15 105.1 0.25 . 1 . . . . 294 GLY N . 7162 1 91 . 1 1 60 60 HIS H H 1 7.37 0.01 . 1 . . . . 295 HIS HN . 7162 1 92 . 1 1 60 60 HIS N N 15 119.3 0.25 . 1 . . . . 295 HIS N . 7162 1 93 . 1 1 61 61 LYS H H 1 8.62 0.01 . 1 . . . . 296 LYS HN . 7162 1 94 . 1 1 61 61 LYS N N 15 120.8 0.25 . 1 . . . . 296 LYS N . 7162 1 95 . 1 1 62 62 LEU H H 1 7.39 0.01 . 1 . . . . 297 LEU HN . 7162 1 96 . 1 1 62 62 LEU N N 15 124.2 0.25 . 1 . . . . 297 LEU N . 7162 1 97 . 1 1 63 63 ASN H H 1 7.28 0.01 . 1 . . . . 298 ASN HN . 7162 1 98 . 1 1 63 63 ASN N N 15 120.6 0.25 . 1 . . . . 298 ASN N . 7162 1 99 . 1 1 64 64 PHE H H 1 8.61 0.01 . 1 . . . . 299 PHE HN . 7162 1 100 . 1 1 64 64 PHE N N 15 118.8 0.25 . 1 . . . . 299 PHE N . 7162 1 101 . 1 1 65 65 ALA H H 1 8.71 0.01 . 1 . . . . 300 ALA HN . 7162 1 102 . 1 1 65 65 ALA N N 15 120.9 0.25 . 1 . . . . 300 ALA N . 7162 1 103 . 1 1 66 66 VAL H H 1 7.96 0.01 . 1 . . . . 301 VAL HN . 7162 1 104 . 1 1 66 66 VAL N N 15 109.3 0.25 . 1 . . . . 301 VAL N . 7162 1 105 . 1 1 67 67 ALA H H 1 8.42 0.01 . 1 . . . . 302 ALA HN . 7162 1 106 . 1 1 67 67 ALA N N 15 122.5 0.25 . 1 . . . . 302 ALA N . 7162 1 107 . 1 1 68 68 SER H H 1 7.60 0.01 . 1 . . . . 303 SER HN . 7162 1 108 . 1 1 68 68 SER N N 15 114.9 0.25 . 1 . . . . 303 SER N . 7162 1 109 . 1 1 69 69 ARG H H 1 8.20 0.01 . 1 . . . . 304 ARG HN . 7162 1 110 . 1 1 69 69 ARG N N 15 119.0 0.25 . 1 . . . . 304 ARG N . 7162 1 111 . 1 1 72 72 PHE H H 1 7.61 0.01 . 1 . . . . 307 PHE HN . 7162 1 112 . 1 1 72 72 PHE N N 15 115.9 0.25 . 1 . . . . 307 PHE N . 7162 1 113 . 1 1 73 73 SER H H 1 7.21 0.01 . 1 . . . . 308 SER HN . 7162 1 114 . 1 1 73 73 SER N N 15 115.9 0.25 . 1 . . . . 308 SER N . 7162 1 115 . 1 1 74 74 HIS H H 1 7.87 0.01 . 1 . . . . 309 HIS HN . 7162 1 116 . 1 1 74 74 HIS N N 15 115.0 0.25 . 1 . . . . 309 HIS N . 7162 1 117 . 1 1 75 75 GLU H H 1 7.50 0.01 . 1 . . . . 310 GLU HN . 7162 1 118 . 1 1 75 75 GLU N N 15 120.1 0.25 . 1 . . . . 310 GLU N . 7162 1 119 . 1 1 76 76 LEU H H 1 7.23 0.01 . 1 . . . . 311 LEU HN . 7162 1 120 . 1 1 76 76 LEU N N 15 116.5 0.25 . 1 . . . . 311 LEU N . 7162 1 121 . 1 1 77 77 SER H H 1 7.74 0.01 . 1 . . . . 312 SER HN . 7162 1 122 . 1 1 77 77 SER N N 15 114.2 0.25 . 1 . . . . 312 SER N . 7162 1 123 . 1 1 78 78 ASP H H 1 7.61 0.01 . 1 . . . . 313 ASP HN . 7162 1 124 . 1 1 78 78 ASP N N 15 122.9 0.25 . 1 . . . . 313 ASP N . 7162 1 125 . 1 1 79 79 PHE H H 1 7.17 0.01 . 1 . . . . 314 PHE HN . 7162 1 126 . 1 1 79 79 PHE N N 15 114.4 0.25 . 1 . . . . 314 PHE N . 7162 1 127 . 1 1 80 80 GLY H H 1 7.52 0.01 . 1 . . . . 315 GLY HN . 7162 1 128 . 1 1 80 80 GLY N N 15 106.6 0.25 . 1 . . . . 315 GLY N . 7162 1 129 . 1 1 81 81 LEU H H 1 7.53 0.01 . 1 . . . . 316 LEU HN . 7162 1 130 . 1 1 81 81 LEU N N 15 117.8 0.25 . 1 . . . . 316 LEU N . 7162 1 131 . 1 1 82 82 GLU H H 1 9.48 0.01 . 1 . . . . 317 GLU HN . 7162 1 132 . 1 1 82 82 GLU N N 15 122.8 0.25 . 1 . . . . 317 GLU N . 7162 1 133 . 1 1 83 83 SER H H 1 8.33 0.01 . 1 . . . . 318 SER HN . 7162 1 134 . 1 1 83 83 SER N N 15 115.4 0.25 . 1 . . . . 318 SER N . 7162 1 135 . 1 1 84 84 THR H H 1 7.42 0.01 . 1 . . . . 319 THR HN . 7162 1 136 . 1 1 84 84 THR N N 15 113.7 0.25 . 1 . . . . 319 THR N . 7162 1 137 . 1 1 85 85 ALA H H 1 8.23 0.01 . 1 . . . . 320 ALA HN . 7162 1 138 . 1 1 85 85 ALA N N 15 125.2 0.25 . 1 . . . . 320 ALA N . 7162 1 139 . 1 1 86 86 GLY H H 1 8.33 0.01 . 1 . . . . 321 GLY HN . 7162 1 140 . 1 1 86 86 GLY N N 15 107.0 0.25 . 1 . . . . 321 GLY N . 7162 1 141 . 1 1 87 87 GLU H H 1 8.34 0.01 . 1 . . . . 322 GLU HN . 7162 1 142 . 1 1 87 87 GLU N N 15 119.4 0.25 . 1 . . . . 322 GLU N . 7162 1 143 . 1 1 88 88 ILE H H 1 7.24 0.01 . 1 . . . . 323 ILE HN . 7162 1 144 . 1 1 88 88 ILE N N 15 116.5 0.25 . 1 . . . . 323 ILE N . 7162 1 145 . 1 1 90 90 VAL H H 1 7.99 0.01 . 1 . . . . 325 VAL HN . 7162 1 146 . 1 1 90 90 VAL N N 15 114.6 0.25 . 1 . . . . 325 VAL N . 7162 1 147 . 1 1 91 91 VAL H H 1 8.88 0.01 . 1 . . . . 326 VAL HN . 7162 1 148 . 1 1 91 91 VAL N N 15 123.0 0.25 . 1 . . . . 326 VAL N . 7162 1 149 . 1 1 92 92 ALA H H 1 8.46 0.01 . 1 . . . . 327 ALA HN . 7162 1 150 . 1 1 92 92 ALA N N 15 126.4 0.25 . 1 . . . . 327 ALA N . 7162 1 151 . 1 1 93 93 ILE H H 1 9.23 0.01 . 1 . . . . 328 ILE HN . 7162 1 152 . 1 1 93 93 ILE N N 15 119.1 0.25 . 1 . . . . 328 ILE N . 7162 1 153 . 1 1 94 94 ARG H H 1 8.88 0.01 . 1 . . . . 329 ARG HN . 7162 1 154 . 1 1 94 94 ARG N N 15 126.0 0.25 . 1 . . . . 329 ARG N . 7162 1 155 . 1 1 95 95 THR H H 1 9.29 0.01 . 1 . . . . 330 THR HN . 7162 1 156 . 1 1 95 95 THR N N 15 116.8 0.25 . 1 . . . . 330 THR N . 7162 1 157 . 1 1 96 96 ALA H H 1 9.79 0.01 . 1 . . . . 331 ALA HN . 7162 1 158 . 1 1 96 96 ALA N N 15 125.5 0.25 . 1 . . . . 331 ALA N . 7162 1 159 . 1 1 97 97 LYS H H 1 7.47 0.01 . 1 . . . . 332 LYS HN . 7162 1 160 . 1 1 97 97 LYS N N 15 113.9 0.25 . 1 . . . . 332 LYS N . 7162 1 161 . 1 1 98 98 GLY H H 1 8.13 0.01 . 1 . . . . 333 GLY HN . 7162 1 162 . 1 1 98 98 GLY N N 15 108.1 0.25 . 1 . . . . 333 GLY N . 7162 1 163 . 1 1 99 99 GLU H H 1 7.54 0.01 . 1 . . . . 334 GLU HN . 7162 1 164 . 1 1 99 99 GLU N N 15 119.9 0.25 . 1 . . . . 334 GLU N . 7162 1 165 . 1 1 101 101 PHE H H 1 9.16 0.01 . 1 . . . . 336 PHE HN . 7162 1 166 . 1 1 101 101 PHE N N 15 119.6 0.25 . 1 . . . . 336 PHE N . 7162 1 167 . 1 1 102 102 VAL H H 1 8.99 0.01 . 1 . . . . 337 VAL HN . 7162 1 168 . 1 1 102 102 VAL N N 15 122.1 0.25 . 1 . . . . 337 VAL N . 7162 1 169 . 1 1 103 103 MET H H 1 7.77 0.01 . 1 . . . . 338 MET HN . 7162 1 170 . 1 1 103 103 MET N N 15 130.1 0.25 . 1 . . . . 338 MET N . 7162 1 171 . 1 1 104 104 GLN H H 1 8.56 0.01 . 1 . . . . 339 GLN HN . 7162 1 172 . 1 1 104 104 GLN N N 15 126.0 0.25 . 1 . . . . 339 GLN N . 7162 1 173 . 1 1 105 105 GLU H H 1 7.47 0.01 . 1 . . . . 340 GLU HN . 7162 1 174 . 1 1 105 105 GLU N N 15 118.9 0.25 . 1 . . . . 340 GLU N . 7162 1 175 . 1 1 106 106 GLU H H 1 8.44 0.01 . 1 . . . . 341 GLU HN . 7162 1 176 . 1 1 106 106 GLU N N 15 121.7 0.25 . 1 . . . . 341 GLU N . 7162 1 177 . 1 1 107 107 PHE H H 1 8.63 0.01 . 1 . . . . 342 PHE HN . 7162 1 178 . 1 1 107 107 PHE N N 15 125.5 0.25 . 1 . . . . 342 PHE N . 7162 1 179 . 1 1 108 108 SER H H 1 8.57 0.01 . 1 . . . . 343 SER HN . 7162 1 180 . 1 1 108 108 SER N N 15 119.8 0.25 . 1 . . . . 343 SER N . 7162 1 181 . 1 1 109 109 ARG H H 1 9.24 0.01 . 1 . . . . 344 ARG HN . 7162 1 182 . 1 1 109 109 ARG N N 15 128.8 0.25 . 1 . . . . 344 ARG N . 7162 1 183 . 1 1 110 110 ASP H H 1 7.86 0.01 . 1 . . . . 345 ASP HN . 7162 1 184 . 1 1 110 110 ASP N N 15 121.8 0.25 . 1 . . . . 345 ASP N . 7162 1 185 . 1 1 111 111 GLY H H 1 7.85 0.01 . 1 . . . . 346 GLY HN . 7162 1 186 . 1 1 111 111 GLY N N 15 107.2 0.25 . 1 . . . . 346 GLY N . 7162 1 187 . 1 1 112 112 LYS H H 1 8.20 0.01 . 1 . . . . 347 LYS HN . 7162 1 188 . 1 1 112 112 LYS N N 15 120.4 0.25 . 1 . . . . 347 LYS N . 7162 1 189 . 1 1 113 113 ALA H H 1 7.61 0.01 . 1 . . . . 348 ALA HN . 7162 1 190 . 1 1 113 113 ALA N N 15 120.5 0.25 . 1 . . . . 348 ALA N . 7162 1 191 . 1 1 114 114 LEU H H 1 7.19 0.01 . 1 . . . . 349 LEU HN . 7162 1 192 . 1 1 114 114 LEU N N 15 119.3 0.25 . 1 . . . . 349 LEU N . 7162 1 193 . 1 1 115 115 GLU H H 1 8.21 0.01 . 1 . . . . 350 GLU HN . 7162 1 194 . 1 1 115 115 GLU N N 15 119.9 0.25 . 1 . . . . 350 GLU N . 7162 1 195 . 1 1 116 116 ARG H H 1 8.06 0.01 . 1 . . . . 351 ARG HN . 7162 1 196 . 1 1 116 116 ARG N N 15 117.8 0.25 . 1 . . . . 351 ARG N . 7162 1 197 . 1 1 117 117 PHE H H 1 7.71 0.01 . 1 . . . . 352 PHE HN . 7162 1 198 . 1 1 117 117 PHE N N 15 120.1 0.25 . 1 . . . . 352 PHE N . 7162 1 199 . 1 1 118 118 LEU H H 1 8.17 0.01 . 1 . . . . 353 LEU HN . 7162 1 200 . 1 1 118 118 LEU N N 15 117.3 0.25 . 1 . . . . 353 LEU N . 7162 1 201 . 1 1 119 119 GLN H H 1 8.45 0.01 . 1 . . . . 354 GLN HN . 7162 1 202 . 1 1 119 119 GLN N N 15 119.2 0.25 . 1 . . . . 354 GLN N . 7162 1 203 . 1 1 120 120 ASP H H 1 8.01 0.01 . 1 . . . . 355 ASP HN . 7162 1 204 . 1 1 120 120 ASP N N 15 117.6 0.25 . 1 . . . . 355 ASP N . 7162 1 205 . 1 1 121 121 TYR H H 1 8.09 0.01 . 1 . . . . 356 TYR HN . 7162 1 206 . 1 1 121 121 TYR N N 15 121.6 0.25 . 1 . . . . 356 TYR N . 7162 1 207 . 1 1 122 122 PHE H H 1 8.36 0.01 . 1 . . . . 357 PHE HN . 7162 1 208 . 1 1 122 122 PHE N N 15 120.1 0.25 . 1 . . . . 357 PHE N . 7162 1 209 . 1 1 123 123 ASP H H 1 8.24 0.01 . 1 . . . . 358 ASP HN . 7162 1 210 . 1 1 123 123 ASP N N 15 118.3 0.25 . 1 . . . . 358 ASP N . 7162 1 211 . 1 1 124 124 GLY H H 1 7.43 0.01 . 1 . . . . 359 GLY HN . 7162 1 212 . 1 1 124 124 GLY N N 15 107.8 0.25 . 1 . . . . 359 GLY N . 7162 1 213 . 1 1 125 125 ASN H H 1 8.27 0.01 . 1 . . . . 360 ASN HN . 7162 1 214 . 1 1 125 125 ASN N N 15 116.3 0.25 . 1 . . . . 360 ASN N . 7162 1 215 . 1 1 126 126 LEU H H 1 7.59 0.01 . 1 . . . . 361 LEU HN . 7162 1 216 . 1 1 126 126 LEU N N 15 119.1 0.25 . 1 . . . . 361 LEU N . 7162 1 217 . 1 1 128 128 ARG H H 1 8.42 0.01 . 1 . . . . 363 ARG HN . 7162 1 218 . 1 1 128 128 ARG N N 15 123.1 0.25 . 1 . . . . 363 ARG N . 7162 1 219 . 1 1 129 129 TYR H H 1 8.69 0.01 . 1 . . . . 364 TYR HN . 7162 1 220 . 1 1 129 129 TYR N N 15 123.3 0.25 . 1 . . . . 364 TYR N . 7162 1 221 . 1 1 130 130 LEU H H 1 7.66 0.01 . 1 . . . . 365 LEU HN . 7162 1 222 . 1 1 130 130 LEU N N 15 128.5 0.25 . 1 . . . . 365 LEU N . 7162 1 223 . 1 1 131 131 LYS H H 1 7.9 0.01 . 1 . . . . 366 LYS HN . 7162 1 224 . 1 1 131 131 LYS N N 15 123.1 0.25 . 1 . . . . 366 LYS N . 7162 1 225 . 1 1 132 132 SER H H 1 8.2 0.01 . 1 . . . . 367 SER HN . 7162 1 226 . 1 1 132 132 SER N N 15 117.7 0.25 . 1 . . . . 367 SER N . 7162 1 227 . 1 1 133 133 GLU H H 1 8.3 0.01 . 1 . . . . 368 GLU HN . 7162 1 228 . 1 1 133 133 GLU N N 15 124.0 0.25 . 1 . . . . 368 GLU N . 7162 1 229 . 1 1 135 135 ILE H H 1 8.2 0.01 . 1 . . . . 370 ILE HN . 7162 1 230 . 1 1 135 135 ILE N N 15 122.8 0.25 . 1 . . . . 370 ILE N . 7162 1 231 . 1 1 137 137 GLU H H 1 8.4 0.01 . 1 . . . . 372 GLU HN . 7162 1 232 . 1 1 137 137 GLU N N 15 121.2 0.25 . 1 . . . . 372 GLU N . 7162 1 233 . 1 1 138 138 SER H H 1 8.3 0.01 . 1 . . . . 373 SER HN . 7162 1 234 . 1 1 138 138 SER N N 15 116.4 0.25 . 1 . . . . 373 SER N . 7162 1 235 . 1 1 140 140 ASP H H 1 8.3 0.01 . 1 . . . . 375 ASP HN . 7162 1 236 . 1 1 140 140 ASP N N 15 120.7 0.25 . 1 . . . . 375 ASP N . 7162 1 237 . 1 1 141 141 GLY H H 1 8.3 0.01 . 1 . . . . 376 GLY HN . 7162 1 238 . 1 1 141 141 GLY N N 15 109.3 0.25 . 1 . . . . 376 GLY N . 7162 1 239 . 1 1 142 142 ALA H H 1 8.0 0.01 . 1 . . . . 377 ALA HN . 7162 1 240 . 1 1 142 142 ALA N N 15 123.5 0.25 . 1 . . . . 377 ALA N . 7162 1 241 . 1 1 143 143 ALA H H 1 8.1 0.01 . 1 . . . . 378 ALA HN . 7162 1 242 . 1 1 143 143 ALA N N 15 123.9 0.25 . 1 . . . . 378 ALA N . 7162 1 243 . 1 1 144 144 ALA H H 1 8.1 0.01 . 1 . . . . 379 ALA HN . 7162 1 244 . 1 1 144 144 ALA N N 15 123.2 0.25 . 1 . . . . 379 ALA N . 7162 1 245 . 1 1 145 145 SER H H 1 7.8 0.01 . 1 . . . . 380 SER HN . 7162 1 246 . 1 1 145 145 SER N N 15 120.6 0.25 . 1 . . . . 380 SER N . 7162 1 stop_ save_