data_25048 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25048 _Entry.Title ; Transient Collagen Triple Helix Binding to a Key Metalloproteinase in Invasion and Development: Spin Labels to Structure ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-06-26 _Entry.Accession_date 2014-06-26 _Entry.Last_release_date 2015-02-09 _Entry.Original_release_date 2015-02-09 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Yingchu Zhao . . . 25048 2 Thomas Marcink . . . 25048 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25048 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Protein/Protein . 25048 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25048 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 281 25048 '13C chemical shifts' 502 25048 '15N chemical shifts' 167 25048 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 . . 2015-02-09 2014-06-26 original author . 25048 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MQS 'BMRB Entry Tracking System' 25048 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25048 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25651059 _Citation.Full_citation . _Citation.Title 'Transient collagen triple helix binding to a key metalloproteinase in invasion and development' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 23 _Citation.Journal_issue 2 _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 257 _Citation.Page_last 269 _Citation.Year 2015 _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 Yingchu Zhao . . . 25048 1 2 Thomas Marcink . C. . 25048 1 3 R. 'Sanganna Gari' . R. . 25048 1 4 B. Marsh . P. . 25048 1 5 G. King . M. . 25048 1 6 R. Stawikowska . . . 25048 1 7 Gregg Fields . B. . 25048 1 8 Steven VanDoren . R. . 25048 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25048 _Assembly.ID 1 _Assembly.Name 'Transient Collagen Triple Helix Binding to a Key Metalloproteinase' _Assembly.BMRB_code . _Assembly.Number_of_components 4 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Hemopexin-like_(HPX) 1 $Hemopexin-like_(HPX) A . yes native no no . . . 25048 1 2 THP_L_and_M_chain 2 $THP_L_and_M_chain B . no native no no . . . 25048 1 3 THP_T_chain 3 $THP_T_chain C . no native no no . . . 25048 1 4 4-HYDROXYPROLINE 4 $entity_HYP D . no native no no . . . 25048 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Hemopexin-like_(HPX) _Entity.Sf_category entity _Entity.Sf_framecode Hemopexin-like_(HPX) _Entity.Entry_ID 25048 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Hemopexin-like_(HPX) _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; PNICDGNFDTVAMLRGEMFV FKERWFWRVRNNQVMDGYPM PIGQFWRGLPASINTAYERK DGKFVFFKGDKHWVFDEASL EPGYPKHIKELGRGLPTDKI DAALFWMPNGKTYFFRGNKY YRFNEELRAVDSEYPKNIKV WEGIPESPRGSFMGSDEVFT YFYKGNKYWKFNNQKLKVEP GYPKSALRDWMGCPSG ; _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 196 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 23131.535 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 2MQS . "Transient Collagen Triple Helix Binding To A Key Metalloproteinase In Invasion And Development: Spin Labels To Structure" . . . . . 99.49 196 100.00 100.00 2.33e-140 . . . . 25048 1 2 no PDB 3C7X . "Hemopexin-Like Domain Of Matrix Metalloproteinase 14" . . . . . 100.00 196 100.00 100.00 3.44e-141 . . . . 25048 1 3 no DBJ BAA05519 . "membrane-type matrix metalloproteinase [Homo sapiens]" . . . . . 100.00 582 99.49 100.00 9.26e-139 . . . . 25048 1 4 no DBJ BAA36551 . "Membrane-type matrix metalloproteinase-1 [Capra hircus]" . . . . . 99.49 582 97.44 98.97 1.36e-135 . . . . 25048 1 5 no DBJ BAC40377 . "unnamed protein product [Mus musculus]" . . . . . 100.00 582 99.49 99.49 9.36e-139 . . . . 25048 1 6 no DBJ BAE23719 . "unnamed protein product [Mus musculus]" . . . . . 100.00 582 99.49 99.49 9.36e-139 . . . . 25048 1 7 no DBJ BAE29158 . "unnamed protein product [Mus musculus]" . . . . . 100.00 582 99.49 99.49 9.36e-139 . . . . 25048 1 8 no EMBL CAA58519 . "MT-MMP [Homo sapiens]" . . . . . 100.00 582 100.00 100.00 2.31e-139 . . . . 25048 1 9 no EMBL CAA58521 . "MT-MMP [Rattus norvegicus]" . . . . . 100.00 582 99.49 99.49 1.31e-138 . . . . 25048 1 10 no EMBL CAA62432 . "MT-MMP protein [Homo sapiens]" . . . . . 100.00 582 99.49 99.49 1.66e-138 . . . . 25048 1 11 no EMBL CAA62897 . "membrane-type metalloproteinase [Rattus norvegicus]" . . . . . 100.00 582 99.49 99.49 1.04e-138 . . . . 25048 1 12 no EMBL CAA88372 . "membrane-type matrix metalloproteinase 1 [Homo sapiens]" . . . . . 100.00 582 100.00 100.00 2.81e-139 . . . . 25048 1 13 no GB AAA83770 . "membrane-type matrix metalloproteinase-1 [Homo sapiens]" . . . . . 100.00 582 100.00 100.00 2.81e-139 . . . . 25048 1 14 no GB AAB41500 . "membrane type 1 metalloproteinase [Oryctolagus cuniculus]" . . . . . 100.00 582 97.45 98.47 2.80e-136 . . . . 25048 1 15 no GB AAB51753 . "membrane-type matrix metalloproteinase 1 [Mus musculus]" . . . . . 100.00 582 99.49 99.49 1.14e-138 . . . . 25048 1 16 no GB AAB86602 . "matrix metalloproteinase-14 [Mus musculus]" . . . . . 100.00 581 97.96 97.96 7.60e-134 . . . . 25048 1 17 no GB AAD13803 . "membane-type 1 metalloproteinase precursor, partial [Oryctolagus cuniculus]" . . . . . 100.00 572 98.98 100.00 1.70e-138 . . . . 25048 1 18 no REF NP_001076262 . "matrix metalloproteinase-14 precursor [Oryctolagus cuniculus]" . . . . . 100.00 582 97.45 98.47 2.80e-136 . . . . 25048 1 19 no REF NP_001124793 . "matrix metalloproteinase-14 precursor [Pongo abelii]" . . . . . 100.00 582 98.98 99.49 4.31e-138 . . . . 25048 1 20 no REF NP_001159653 . "matrix metalloproteinase-14 precursor [Ovis aries]" . . . . . 99.49 582 97.95 98.97 2.96e-136 . . . . 25048 1 21 no REF NP_001233698 . "matrix metalloproteinase-14 precursor [Cricetulus griseus]" . . . . . 100.00 582 98.47 98.98 9.58e-137 . . . . 25048 1 22 no REF NP_001253739 . "matrix metalloproteinase-14 precursor [Macaca mulatta]" . . . . . 100.00 582 100.00 100.00 2.75e-139 . . . . 25048 1 23 no SP P50281 . "RecName: Full=Matrix metalloproteinase-14; Short=MMP-14; AltName: Full=MMP-X1; AltName: Full=Membrane-type matrix metalloprotei" . . . . . 100.00 582 100.00 100.00 2.81e-139 . . . . 25048 1 24 no SP P53690 . "RecName: Full=Matrix metalloproteinase-14; Short=MMP-14; AltName: Full=MMP-X1; AltName: Full=MT-MMP; AltName: Full=Membrane-typ" . . . . . 100.00 582 99.49 99.49 9.36e-139 . . . . 25048 1 25 no SP Q10739 . "RecName: Full=Matrix metalloproteinase-14; Short=MMP-14; AltName: Full=Membrane-type matrix metalloproteinase 1; Short=MT-MMP 1" . . . . . 100.00 582 99.49 99.49 1.04e-138 . . . . 25048 1 26 no SP Q5RES1 . "RecName: Full=Matrix metalloproteinase-14; Short=MMP-14; Flags: Precursor" . . . . . 100.00 582 98.98 99.49 4.31e-138 . . . . 25048 1 27 no SP Q95220 . "RecName: Full=Matrix metalloproteinase-14; Short=MMP-14; AltName: Full=Membrane-type matrix metalloproteinase 1; Short=MT-MMP 1" . . . . . 100.00 582 97.45 98.47 2.80e-136 . . . . 25048 1 28 no TPG DAA25704 . "TPA: matrix metalloproteinase-14 precursor [Bos taurus]" . . . . . 99.49 582 97.95 98.97 2.96e-136 . . . . 25048 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 1 316 PRO . 25048 1 2 317 ASN . 25048 1 3 318 ILE . 25048 1 4 319 CYS . 25048 1 5 320 ASP . 25048 1 6 321 GLY . 25048 1 7 322 ASN . 25048 1 8 323 PHE . 25048 1 9 324 ASP . 25048 1 10 325 THR . 25048 1 11 326 VAL . 25048 1 12 327 ALA . 25048 1 13 328 MET . 25048 1 14 329 LEU . 25048 1 15 330 ARG . 25048 1 16 331 GLY . 25048 1 17 332 GLU . 25048 1 18 333 MET . 25048 1 19 334 PHE . 25048 1 20 335 VAL . 25048 1 21 336 PHE . 25048 1 22 337 LYS . 25048 1 23 338 GLU . 25048 1 24 339 ARG . 25048 1 25 340 TRP . 25048 1 26 341 PHE . 25048 1 27 342 TRP . 25048 1 28 343 ARG . 25048 1 29 344 VAL . 25048 1 30 345 ARG . 25048 1 31 346 ASN . 25048 1 32 347 ASN . 25048 1 33 348 GLN . 25048 1 34 349 VAL . 25048 1 35 350 MET . 25048 1 36 351 ASP . 25048 1 37 352 GLY . 25048 1 38 353 TYR . 25048 1 39 354 PRO . 25048 1 40 355 MET . 25048 1 41 356 PRO . 25048 1 42 357 ILE . 25048 1 43 358 GLY . 25048 1 44 359 GLN . 25048 1 45 360 PHE . 25048 1 46 361 TRP . 25048 1 47 362 ARG . 25048 1 48 363 GLY . 25048 1 49 364 LEU . 25048 1 50 365 PRO . 25048 1 51 366 ALA . 25048 1 52 367 SER . 25048 1 53 368 ILE . 25048 1 54 369 ASN . 25048 1 55 370 THR . 25048 1 56 371 ALA . 25048 1 57 372 TYR . 25048 1 58 373 GLU . 25048 1 59 374 ARG . 25048 1 60 375 LYS . 25048 1 61 376 ASP . 25048 1 62 377 GLY . 25048 1 63 378 LYS . 25048 1 64 379 PHE . 25048 1 65 380 VAL . 25048 1 66 381 PHE . 25048 1 67 382 PHE . 25048 1 68 383 LYS . 25048 1 69 384 GLY . 25048 1 70 385 ASP . 25048 1 71 386 LYS . 25048 1 72 387 HIS . 25048 1 73 388 TRP . 25048 1 74 389 VAL . 25048 1 75 390 PHE . 25048 1 76 391 ASP . 25048 1 77 392 GLU . 25048 1 78 393 ALA . 25048 1 79 394 SER . 25048 1 80 395 LEU . 25048 1 81 396 GLU . 25048 1 82 397 PRO . 25048 1 83 398 GLY . 25048 1 84 399 TYR . 25048 1 85 400 PRO . 25048 1 86 401 LYS . 25048 1 87 402 HIS . 25048 1 88 403 ILE . 25048 1 89 404 LYS . 25048 1 90 405 GLU . 25048 1 91 406 LEU . 25048 1 92 407 GLY . 25048 1 93 408 ARG . 25048 1 94 409 GLY . 25048 1 95 410 LEU . 25048 1 96 411 PRO . 25048 1 97 412 THR . 25048 1 98 413 ASP . 25048 1 99 414 LYS . 25048 1 100 415 ILE . 25048 1 101 416 ASP . 25048 1 102 417 ALA . 25048 1 103 418 ALA . 25048 1 104 419 LEU . 25048 1 105 420 PHE . 25048 1 106 421 TRP . 25048 1 107 422 MET . 25048 1 108 423 PRO . 25048 1 109 424 ASN . 25048 1 110 425 GLY . 25048 1 111 426 LYS . 25048 1 112 427 THR . 25048 1 113 428 TYR . 25048 1 114 429 PHE . 25048 1 115 430 PHE . 25048 1 116 431 ARG . 25048 1 117 432 GLY . 25048 1 118 433 ASN . 25048 1 119 434 LYS . 25048 1 120 435 TYR . 25048 1 121 436 TYR . 25048 1 122 437 ARG . 25048 1 123 438 PHE . 25048 1 124 439 ASN . 25048 1 125 440 GLU . 25048 1 126 441 GLU . 25048 1 127 442 LEU . 25048 1 128 443 ARG . 25048 1 129 444 ALA . 25048 1 130 445 VAL . 25048 1 131 446 ASP . 25048 1 132 447 SER . 25048 1 133 448 GLU . 25048 1 134 449 TYR . 25048 1 135 450 PRO . 25048 1 136 451 LYS . 25048 1 137 452 ASN . 25048 1 138 453 ILE . 25048 1 139 454 LYS . 25048 1 140 455 VAL . 25048 1 141 456 TRP . 25048 1 142 457 GLU . 25048 1 143 458 GLY . 25048 1 144 459 ILE . 25048 1 145 460 PRO . 25048 1 146 461 GLU . 25048 1 147 462 SER . 25048 1 148 463 PRO . 25048 1 149 464 ARG . 25048 1 150 465 GLY . 25048 1 151 466 SER . 25048 1 152 467 PHE . 25048 1 153 468 MET . 25048 1 154 469 GLY . 25048 1 155 470 SER . 25048 1 156 471 ASP . 25048 1 157 472 GLU . 25048 1 158 473 VAL . 25048 1 159 474 PHE . 25048 1 160 475 THR . 25048 1 161 476 TYR . 25048 1 162 477 PHE . 25048 1 163 478 TYR . 25048 1 164 479 LYS . 25048 1 165 480 GLY . 25048 1 166 481 ASN . 25048 1 167 482 LYS . 25048 1 168 483 TYR . 25048 1 169 484 TRP . 25048 1 170 485 LYS . 25048 1 171 486 PHE . 25048 1 172 487 ASN . 25048 1 173 488 ASN . 25048 1 174 489 GLN . 25048 1 175 490 LYS . 25048 1 176 491 LEU . 25048 1 177 492 LYS . 25048 1 178 493 VAL . 25048 1 179 494 GLU . 25048 1 180 495 PRO . 25048 1 181 496 GLY . 25048 1 182 497 TYR . 25048 1 183 498 PRO . 25048 1 184 499 LYS . 25048 1 185 500 SER . 25048 1 186 501 ALA . 25048 1 187 502 LEU . 25048 1 188 503 ARG . 25048 1 189 504 ASP . 25048 1 190 505 TRP . 25048 1 191 506 MET . 25048 1 192 507 GLY . 25048 1 193 508 CYS . 25048 1 194 509 PRO . 25048 1 195 510 SER . 25048 1 196 511 GLY . 25048 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 . PRO 1 1 25048 1 . ASN 2 2 25048 1 . ILE 3 3 25048 1 . CYS 4 4 25048 1 . ASP 5 5 25048 1 . GLY 6 6 25048 1 . ASN 7 7 25048 1 . PHE 8 8 25048 1 . ASP 9 9 25048 1 . THR 10 10 25048 1 . VAL 11 11 25048 1 . ALA 12 12 25048 1 . MET 13 13 25048 1 . LEU 14 14 25048 1 . ARG 15 15 25048 1 . GLY 16 16 25048 1 . GLU 17 17 25048 1 . MET 18 18 25048 1 . PHE 19 19 25048 1 . VAL 20 20 25048 1 . PHE 21 21 25048 1 . LYS 22 22 25048 1 . GLU 23 23 25048 1 . ARG 24 24 25048 1 . TRP 25 25 25048 1 . PHE 26 26 25048 1 . TRP 27 27 25048 1 . ARG 28 28 25048 1 . VAL 29 29 25048 1 . ARG 30 30 25048 1 . ASN 31 31 25048 1 . ASN 32 32 25048 1 . GLN 33 33 25048 1 . VAL 34 34 25048 1 . MET 35 35 25048 1 . ASP 36 36 25048 1 . GLY 37 37 25048 1 . TYR 38 38 25048 1 . PRO 39 39 25048 1 . MET 40 40 25048 1 . PRO 41 41 25048 1 . ILE 42 42 25048 1 . GLY 43 43 25048 1 . GLN 44 44 25048 1 . PHE 45 45 25048 1 . TRP 46 46 25048 1 . ARG 47 47 25048 1 . GLY 48 48 25048 1 . LEU 49 49 25048 1 . PRO 50 50 25048 1 . ALA 51 51 25048 1 . SER 52 52 25048 1 . ILE 53 53 25048 1 . ASN 54 54 25048 1 . THR 55 55 25048 1 . ALA 56 56 25048 1 . TYR 57 57 25048 1 . GLU 58 58 25048 1 . ARG 59 59 25048 1 . LYS 60 60 25048 1 . ASP 61 61 25048 1 . GLY 62 62 25048 1 . LYS 63 63 25048 1 . PHE 64 64 25048 1 . VAL 65 65 25048 1 . PHE 66 66 25048 1 . PHE 67 67 25048 1 . LYS 68 68 25048 1 . GLY 69 69 25048 1 . ASP 70 70 25048 1 . LYS 71 71 25048 1 . HIS 72 72 25048 1 . TRP 73 73 25048 1 . VAL 74 74 25048 1 . PHE 75 75 25048 1 . ASP 76 76 25048 1 . GLU 77 77 25048 1 . ALA 78 78 25048 1 . SER 79 79 25048 1 . LEU 80 80 25048 1 . GLU 81 81 25048 1 . PRO 82 82 25048 1 . GLY 83 83 25048 1 . TYR 84 84 25048 1 . PRO 85 85 25048 1 . LYS 86 86 25048 1 . HIS 87 87 25048 1 . ILE 88 88 25048 1 . LYS 89 89 25048 1 . GLU 90 90 25048 1 . LEU 91 91 25048 1 . GLY 92 92 25048 1 . ARG 93 93 25048 1 . GLY 94 94 25048 1 . LEU 95 95 25048 1 . PRO 96 96 25048 1 . THR 97 97 25048 1 . ASP 98 98 25048 1 . LYS 99 99 25048 1 . ILE 100 100 25048 1 . ASP 101 101 25048 1 . ALA 102 102 25048 1 . ALA 103 103 25048 1 . LEU 104 104 25048 1 . PHE 105 105 25048 1 . TRP 106 106 25048 1 . MET 107 107 25048 1 . PRO 108 108 25048 1 . ASN 109 109 25048 1 . GLY 110 110 25048 1 . LYS 111 111 25048 1 . THR 112 112 25048 1 . TYR 113 113 25048 1 . PHE 114 114 25048 1 . PHE 115 115 25048 1 . ARG 116 116 25048 1 . GLY 117 117 25048 1 . ASN 118 118 25048 1 . LYS 119 119 25048 1 . TYR 120 120 25048 1 . TYR 121 121 25048 1 . ARG 122 122 25048 1 . PHE 123 123 25048 1 . ASN 124 124 25048 1 . GLU 125 125 25048 1 . GLU 126 126 25048 1 . LEU 127 127 25048 1 . ARG 128 128 25048 1 . ALA 129 129 25048 1 . VAL 130 130 25048 1 . ASP 131 131 25048 1 . SER 132 132 25048 1 . GLU 133 133 25048 1 . TYR 134 134 25048 1 . PRO 135 135 25048 1 . LYS 136 136 25048 1 . ASN 137 137 25048 1 . ILE 138 138 25048 1 . LYS 139 139 25048 1 . VAL 140 140 25048 1 . TRP 141 141 25048 1 . GLU 142 142 25048 1 . GLY 143 143 25048 1 . ILE 144 144 25048 1 . PRO 145 145 25048 1 . GLU 146 146 25048 1 . SER 147 147 25048 1 . PRO 148 148 25048 1 . ARG 149 149 25048 1 . GLY 150 150 25048 1 . SER 151 151 25048 1 . PHE 152 152 25048 1 . MET 153 153 25048 1 . GLY 154 154 25048 1 . SER 155 155 25048 1 . ASP 156 156 25048 1 . GLU 157 157 25048 1 . VAL 158 158 25048 1 . PHE 159 159 25048 1 . THR 160 160 25048 1 . TYR 161 161 25048 1 . PHE 162 162 25048 1 . TYR 163 163 25048 1 . LYS 164 164 25048 1 . GLY 165 165 25048 1 . ASN 166 166 25048 1 . LYS 167 167 25048 1 . TYR 168 168 25048 1 . TRP 169 169 25048 1 . LYS 170 170 25048 1 . PHE 171 171 25048 1 . ASN 172 172 25048 1 . ASN 173 173 25048 1 . GLN 174 174 25048 1 . LYS 175 175 25048 1 . LEU 176 176 25048 1 . LYS 177 177 25048 1 . VAL 178 178 25048 1 . GLU 179 179 25048 1 . PRO 180 180 25048 1 . GLY 181 181 25048 1 . TYR 182 182 25048 1 . PRO 183 183 25048 1 . LYS 184 184 25048 1 . SER 185 185 25048 1 . ALA 186 186 25048 1 . LEU 187 187 25048 1 . ARG 188 188 25048 1 . ASP 189 189 25048 1 . TRP 190 190 25048 1 . MET 191 191 25048 1 . GLY 192 192 25048 1 . CYS 193 193 25048 1 . PRO 194 194 25048 1 . SER 195 195 25048 1 . GLY 196 196 25048 1 stop_ save_ save_THP_L_and_M_chain _Entity.Sf_category entity _Entity.Sf_framecode THP_L_and_M_chain _Entity.Entry_ID 25048 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name THP_L_and_M_chain _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B,C _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPPGPPGPPGPQGIAGQRGV VGLPGPPGPPGPPGPP ; _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 yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 36 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3293.611 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GLY . 25048 2 2 2 PRO . 25048 2 3 3 HYP . 25048 2 4 4 GLY . 25048 2 5 5 PRO . 25048 2 6 6 HYP . 25048 2 7 7 GLY . 25048 2 8 8 PRO . 25048 2 9 9 HYP . 25048 2 10 10 GLY . 25048 2 11 11 PRO . 25048 2 12 12 GLN . 25048 2 13 13 GLY . 25048 2 14 14 ILE . 25048 2 15 15 ALA . 25048 2 16 16 GLY . 25048 2 17 17 GLN . 25048 2 18 18 ARG . 25048 2 19 19 GLY . 25048 2 20 20 VAL . 25048 2 21 21 VAL . 25048 2 22 22 GLY . 25048 2 23 23 LEU . 25048 2 24 24 HYP . 25048 2 25 25 GLY . 25048 2 26 26 PRO . 25048 2 27 27 HYP . 25048 2 28 28 GLY . 25048 2 29 29 PRO . 25048 2 30 30 HYP . 25048 2 31 31 GLY . 25048 2 32 32 PRO . 25048 2 33 33 HYP . 25048 2 34 34 GLY . 25048 2 35 35 PRO . 25048 2 36 36 HYP . 25048 2 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 25048 2 . PRO 2 2 25048 2 . HYP 3 3 25048 2 . GLY 4 4 25048 2 . PRO 5 5 25048 2 . HYP 6 6 25048 2 . GLY 7 7 25048 2 . PRO 8 8 25048 2 . HYP 9 9 25048 2 . GLY 10 10 25048 2 . PRO 11 11 25048 2 . GLN 12 12 25048 2 . GLY 13 13 25048 2 . ILE 14 14 25048 2 . ALA 15 15 25048 2 . GLY 16 16 25048 2 . GLN 17 17 25048 2 . ARG 18 18 25048 2 . GLY 19 19 25048 2 . VAL 20 20 25048 2 . VAL 21 21 25048 2 . GLY 22 22 25048 2 . LEU 23 23 25048 2 . HYP 24 24 25048 2 . GLY 25 25 25048 2 . PRO 26 26 25048 2 . HYP 27 27 25048 2 . GLY 28 28 25048 2 . PRO 29 29 25048 2 . HYP 30 30 25048 2 . GLY 31 31 25048 2 . PRO 32 32 25048 2 . HYP 33 33 25048 2 . GLY 34 34 25048 2 . PRO 35 35 25048 2 . HYP 36 36 25048 2 stop_ save_ save_THP_T_chain _Entity.Sf_category entity _Entity.Sf_framecode THP_T_chain _Entity.Entry_ID 25048 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name THP_T_chain _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID D _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPPGPPGPPGPQGIAGQRGV VGLPGPPGPPGPP ; _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 yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 33 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3026.327 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GLY . 25048 3 2 2 PRO . 25048 3 3 3 HYP . 25048 3 4 4 GLY . 25048 3 5 5 PRO . 25048 3 6 6 HYP . 25048 3 7 7 GLY . 25048 3 8 8 PRO . 25048 3 9 9 HYP . 25048 3 10 10 GLY . 25048 3 11 11 PRO . 25048 3 12 12 GLN . 25048 3 13 13 GLY . 25048 3 14 14 ILE . 25048 3 15 15 ALA . 25048 3 16 16 GLY . 25048 3 17 17 GLN . 25048 3 18 18 ARG . 25048 3 19 19 GLY . 25048 3 20 20 VAL . 25048 3 21 21 VAL . 25048 3 22 22 GLY . 25048 3 23 23 LEU . 25048 3 24 24 HYP . 25048 3 25 25 GLY . 25048 3 26 26 PRO . 25048 3 27 27 HYP . 25048 3 28 28 GLY . 25048 3 29 29 PRO . 25048 3 30 30 HYP . 25048 3 31 31 GLY . 25048 3 32 32 PRO . 25048 3 33 33 HYP . 25048 3 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 25048 3 . PRO 2 2 25048 3 . HYP 3 3 25048 3 . GLY 4 4 25048 3 . PRO 5 5 25048 3 . HYP 6 6 25048 3 . GLY 7 7 25048 3 . PRO 8 8 25048 3 . HYP 9 9 25048 3 . GLY 10 10 25048 3 . PRO 11 11 25048 3 . GLN 12 12 25048 3 . GLY 13 13 25048 3 . ILE 14 14 25048 3 . ALA 15 15 25048 3 . GLY 16 16 25048 3 . GLN 17 17 25048 3 . ARG 18 18 25048 3 . GLY 19 19 25048 3 . VAL 20 20 25048 3 . VAL 21 21 25048 3 . GLY 22 22 25048 3 . LEU 23 23 25048 3 . HYP 24 24 25048 3 . GLY 25 25 25048 3 . PRO 26 26 25048 3 . HYP 27 27 25048 3 . GLY 28 28 25048 3 . PRO 29 29 25048 3 . HYP 30 30 25048 3 . GLY 31 31 25048 3 . PRO 32 32 25048 3 . HYP 33 33 25048 3 stop_ save_ save_entity_HYP _Entity.Sf_category entity _Entity.Sf_framecode entity_HYP _Entity.Entry_ID 25048 _Entity.ID 4 _Entity.BMRB_code HYP _Entity.Name 4-HYDROXYPROLINE _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID HYP _Entity.Nonpolymer_comp_label $chem_comp_HYP _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 4 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 131.130 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 4-HYDROXYPROLINE BMRB 25048 4 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 4-HYDROXYPROLINE BMRB 25048 4 HYP 'Three letter code' 25048 4 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 HYP $chem_comp_HYP 25048 4 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 25048 _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 $Hemopexin-like_(HPX) . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 25048 1 2 2 $THP_L_and_M_chain . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 25048 1 3 3 $THP_T_chain . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 25048 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 25048 _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 $Hemopexin-like_(HPX) . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-27b(+) . . . . . . 25048 1 2 2 $THP_L_and_M_chain . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25048 1 3 3 $THP_T_chain . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25048 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_HYP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_HYP _Chem_comp.Entry_ID 25048 _Chem_comp.ID HYP _Chem_comp.Provenance PDB _Chem_comp.Name 4-HYDROXYPROLINE _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code HYP _Chem_comp.PDB_code HYP _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code P _Chem_comp.Three_letter_code HYP _Chem_comp.Number_atoms_all 18 _Chem_comp.Number_atoms_nh 9 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID PRO _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms HYDROXYPROLINE _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C5 H9 N O3' _Chem_comp.Formula_weight 131.130 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site PDBJ _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID C1C(CNC1C(=O)O)O SMILES 'OpenEye OEToolkits' 1.5.0 25048 HYP C1[C@H](CN[C@@H]1C(=O)O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 25048 HYP InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1 InChI InChI 1.03 25048 HYP O[C@H]1CN[C@@H](C1)C(O)=O SMILES_CANONICAL CACTVS 3.341 25048 HYP O[CH]1CN[CH](C1)C(O)=O SMILES CACTVS 3.341 25048 HYP O=C(O)C1NCC(O)C1 SMILES ACDLabs 10.04 25048 HYP PMMYEEVYMWASQN-DMTCNVIQSA-N InChIKey InChI 1.03 25048 HYP stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 25048 HYP (4R)-4-hydroxy-L-proline 'SYSTEMATIC NAME' ACDLabs 10.04 25048 HYP stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N N N N . N . . N 0 . . . 1 no no . . . . -3.366 . 16.585 . 44.188 . 0.168 1.360 -0.282 1 . 25048 HYP CA CA CA CA . C . . S 0 . . . 1 no no . . . . -2.955 . 15.768 . 43.044 . -0.384 -0.003 -0.493 2 . 25048 HYP C C C C . C . . N 0 . . . 1 no no . . . . -1.447 . 15.609 . 43.030 . -1.811 -0.072 -0.013 3 . 25048 HYP O O O O . O . . N 0 . . . 1 no no . . . . -0.722 . 16.484 . 43.503 . -2.233 0.764 0.750 4 . 25048 HYP CB CB CB CB . C . . N 0 . . . 1 no no . . . . -3.408 . 16.578 . 41.829 . 0.515 -0.924 0.359 5 . 25048 HYP CG CG CG CG . C . . R 0 . . . 1 no no . . . . -4.437 . 17.482 . 42.330 . 1.847 -0.159 0.505 6 . 25048 HYP CD CD CD CD . C . . N 0 . . . 1 no no . . . . -4.068 . 17.803 . 43.753 . 1.640 1.159 -0.271 7 . 25048 HYP OD1 OD1 OD1 OD . O . . N 0 . . . 1 no no . . . . -5.693 . 16.815 . 42.294 . 2.917 -0.911 -0.071 8 . 25048 HYP OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . -0.976 . 14.502 . 42.469 . -2.614 -1.063 -0.433 9 . 25048 HYP H H H H . H . . N 0 . . . 1 no yes . . . . -3.980 . 16.047 . 44.765 . -0.107 1.981 -1.028 10 . 25048 HYP HA HA HA HA . H . . N 0 . . . 1 no no . . . . -3.385 . 14.756 . 43.068 . -0.325 -0.278 -1.546 11 . 25048 HYP HB2 HB2 HB2 1HB . H . . N 0 . . . 1 no no . . . . -2.567 . 17.141 . 41.398 . 0.066 -1.092 1.337 12 . 25048 HYP HB3 HB3 HB3 2HB . H . . N 0 . . . 1 no no . . . . -3.790 . 15.930 . 41.026 . 0.678 -1.873 -0.153 13 . 25048 HYP HG HG HG HG . H . . N 0 . . . 1 no no . . . . -4.508 . 18.399 . 41.726 . 2.052 0.048 1.555 14 . 25048 HYP HD22 HD22 HD22 1HD . H . . N 0 . . . 0 no no . . . . -4.956 . 18.005 . 44.370 . 2.018 1.065 -1.289 15 . 25048 HYP HD23 HD23 HD23 2HD . H . . N 0 . . . 0 no no . . . . -3.457 . 18.713 . 43.848 . 2.132 1.985 0.243 16 . 25048 HYP HD1 HD1 HD1 HOD . H . . N 0 . . . 1 no no . . . . -5.999 . 16.666 . 43.181 . 3.780 -0.479 -0.009 17 . 25048 HYP HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . -0.027 . 14.511 . 42.499 . -3.520 -1.066 -0.098 18 . 25048 HYP stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA no N 1 . 25048 HYP 2 . SING N CD no N 2 . 25048 HYP 3 . SING N H no N 3 . 25048 HYP 4 . SING CA C no N 4 . 25048 HYP 5 . SING CA CB no N 5 . 25048 HYP 6 . SING CA HA no N 6 . 25048 HYP 7 . DOUB C O no N 7 . 25048 HYP 8 . SING C OXT no N 8 . 25048 HYP 9 . SING CB CG no N 9 . 25048 HYP 10 . SING CB HB2 no N 10 . 25048 HYP 11 . SING CB HB3 no N 11 . 25048 HYP 12 . SING CG CD no N 12 . 25048 HYP 13 . SING CG OD1 no N 13 . 25048 HYP 14 . SING CG HG no N 14 . 25048 HYP 15 . SING CD HD22 no N 15 . 25048 HYP 16 . SING CD HD23 no N 16 . 25048 HYP 17 . SING OD1 HD1 no N 17 . 25048 HYP 18 . SING OXT HXT no N 18 . 25048 HYP stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Hemopexin_domain_of_MT1-MMP _Sample.Sf_category sample _Sample.Sf_framecode Hemopexin_domain_of_MT1-MMP _Sample.Entry_ID 25048 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Hemopexin-like (HPX) of MT1-MMP' '[U-13C; U-15N; U-2H]' . . 1 $Hemopexin-like_(HPX) . . . 0.2 0.4 mM . . . . 25048 1 2 'Sodium acetate' 'natural abundance' . . . . . . 10 . . mM . . . . 25048 1 3 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 25048 1 4 'Sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 25048 1 5 H2O 'natural abundance' . . . . . . 93 . . % . . . . 25048 1 6 D2O 'natural abundance' . . . . . . 7 . . % . . . . 25048 1 stop_ save_ save_THP _Sample.Sf_category sample _Sample.Sf_framecode THP _Sample.Entry_ID 25048 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 THP 'natural abundance' . . 2 $THP_L_and_M_chain . . . 0.3 1.4 mM . . . . 25048 2 2 'Sodium acetate' 'natural abundance' . . . . . . 10 . . mM . . . . 25048 2 3 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 25048 2 4 'Sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 25048 2 5 H2O 'natural abundance' . . . . . . 93 . . % . . . . 25048 2 6 D2O 'natural abundance' . . . . . . 7 . . % . . . . 25048 2 stop_ save_ ####################### # Sample conditions # ####################### save_free_state_HPX_domain _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode free_state_HPX_domain _Sample_condition_list.Entry_ID 25048 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'used for NMR peak assignments' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID temperature 310 . K 25048 1 pH 5 . pH 25048 1 pressure 1 . atm 25048 1 'ionic strength' 10 . mM 25048 1 stop_ save_ save_THP+HPX_domain_complex _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode THP+HPX_domain_complex _Sample_condition_list.Entry_ID 25048 _Sample_condition_list.ID 2 _Sample_condition_list.Details 'Used for titrations and measuring intermolecular PREs' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID temperature 292 6 K 25048 2 pH 5.0 . pH 25048 2 pressure 1 . atm 25048 2 'ionic strength' 10 . mM 25048 2 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25048 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25048 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25048 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25048 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25048 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25048 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 25048 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25048 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 25048 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 25048 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $Hemopexin_domain_of_MT1-MMP isotropic . . 1 $free_state_HPX_domain . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25048 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $Hemopexin_domain_of_MT1-MMP isotropic . . 1 $free_state_HPX_domain . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25048 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $Hemopexin_domain_of_MT1-MMP isotropic . . 1 $free_state_HPX_domain . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25048 1 4 '3D HNCO' no . . . . . . . . . . 1 $Hemopexin_domain_of_MT1-MMP isotropic . . 1 $free_state_HPX_domain . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25048 1 5 '3D HNCA' no . . . . . . . . . . 1 $Hemopexin_domain_of_MT1-MMP isotropic . . 1 $free_state_HPX_domain . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25048 1 6 '3D HNCACB' no . . . . . . . . . . 1 $Hemopexin_domain_of_MT1-MMP isotropic . . 1 $free_state_HPX_domain . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25048 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $Hemopexin_domain_of_MT1-MMP isotropic . . 1 $free_state_HPX_domain . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25048 1 8 '3D HN(COCA)CB' no . . . . . . . . . . 1 $Hemopexin_domain_of_MT1-MMP isotropic . . 1 $free_state_HPX_domain . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25048 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $Hemopexin_domain_of_MT1-MMP isotropic . . 1 $free_state_HPX_domain . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25048 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $Hemopexin_domain_of_MT1-MMP isotropic . . 1 $free_state_HPX_domain . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25048 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25048 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25048 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25048 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25048 1 P 31 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.404808636 . . . . . . . . . 25048 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25048 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $free_state_HPX_domain _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _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 '2D 1H-13C HSQC aromatic' . . . 25048 1 2 '2D 1H-13C HSQC aliphatic' . . . 25048 1 3 '3D CBCA(CO)NH' . . . 25048 1 4 '3D HNCO' . . . 25048 1 5 '3D HNCA' . . . 25048 1 6 '3D HNCACB' . . . 25048 1 7 '3D HN(CO)CA' . . . 25048 1 8 '3D HN(COCA)CB' . . . 25048 1 9 '3D 1H-15N NOESY' . . . 25048 1 10 '3D HCCH-TOCSY' . . . 25048 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $NMRPipe . . 25048 1 2 $SPARKY . . 25048 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 3 3 ILE HD11 H 1 -0.26 0.04 . 1 . . . A 318 ILE HD . 25048 1 2 . 1 1 3 3 ILE HD12 H 1 -0.26 0.04 . 1 . . . A 318 ILE HD . 25048 1 3 . 1 1 3 3 ILE HD13 H 1 -0.26 0.04 . 1 . . . A 318 ILE HD . 25048 1 4 . 1 1 3 3 ILE CD1 C 13 13.83 0.30 . 1 . . . A 318 ILE CD1 . 25048 1 5 . 1 1 4 4 CYS H H 1 7.84 0.04 . 1 . . . A 319 CYS H . 25048 1 6 . 1 1 4 4 CYS C C 13 172.45 0.30 . 1 . . . A 319 CYS C . 25048 1 7 . 1 1 4 4 CYS CA C 13 54.12 0.30 . 1 . . . A 319 CYS CA . 25048 1 8 . 1 1 4 4 CYS CB C 13 35.79 0.30 . 1 . . . A 319 CYS CB . 25048 1 9 . 1 1 4 4 CYS N N 15 116.28 0.40 . 1 . . . A 319 CYS N . 25048 1 10 . 1 1 5 5 ASP H H 1 7.60 0.04 . 1 . . . A 320 ASP H . 25048 1 11 . 1 1 5 5 ASP C C 13 175.40 0.30 . 1 . . . A 320 ASP C . 25048 1 12 . 1 1 5 5 ASP CA C 13 54.34 0.30 . 1 . . . A 320 ASP CA . 25048 1 13 . 1 1 5 5 ASP CB C 13 38.85 0.30 . 1 . . . A 320 ASP CB . 25048 1 14 . 1 1 5 5 ASP N N 15 119.49 0.40 . 1 . . . A 320 ASP N . 25048 1 15 . 1 1 6 6 GLY H H 1 7.40 0.04 . 1 . . . A 321 GLY H . 25048 1 16 . 1 1 6 6 GLY C C 13 170.01 0.30 . 1 . . . A 321 GLY C . 25048 1 17 . 1 1 6 6 GLY CA C 13 44.33 0.30 . 1 . . . A 321 GLY CA . 25048 1 18 . 1 1 6 6 GLY N N 15 104.34 0.40 . 1 . . . A 321 GLY N . 25048 1 19 . 1 1 7 7 ASN H H 1 9.68 0.04 . 1 . . . A 322 ASN H . 25048 1 20 . 1 1 7 7 ASN C C 13 171.64 0.30 . 1 . . . A 322 ASN C . 25048 1 21 . 1 1 7 7 ASN CA C 13 52.38 0.30 . 1 . . . A 322 ASN CA . 25048 1 22 . 1 1 7 7 ASN CB C 13 34.92 0.30 . 1 . . . A 322 ASN CB . 25048 1 23 . 1 1 7 7 ASN N N 15 116.48 0.40 . 1 . . . A 322 ASN N . 25048 1 24 . 1 1 8 8 PHE H H 1 5.83 0.04 . 1 . . . A 323 PHE H . 25048 1 25 . 1 1 8 8 PHE C C 13 174.21 0.30 . 1 . . . A 323 PHE C . 25048 1 26 . 1 1 8 8 PHE CA C 13 55.38 0.30 . 1 . . . A 323 PHE CA . 25048 1 27 . 1 1 8 8 PHE CB C 13 36.62 0.30 . 1 . . . A 323 PHE CB . 25048 1 28 . 1 1 8 8 PHE N N 15 115.35 0.40 . 1 . . . A 323 PHE N . 25048 1 29 . 1 1 9 9 ASP H H 1 9.65 0.04 . 1 . . . A 324 ASP H . 25048 1 30 . 1 1 9 9 ASP C C 13 173.68 0.30 . 1 . . . A 324 ASP C . 25048 1 31 . 1 1 9 9 ASP CA C 13 57.14 0.30 . 1 . . . A 324 ASP CA . 25048 1 32 . 1 1 9 9 ASP CB C 13 40.69 0.30 . 1 . . . A 324 ASP CB . 25048 1 33 . 1 1 9 9 ASP N N 15 123.02 0.40 . 1 . . . A 324 ASP N . 25048 1 34 . 1 1 10 10 THR H H 1 7.51 0.04 . 1 . . . A 325 THR H . 25048 1 35 . 1 1 10 10 THR C C 13 168.58 0.30 . 1 . . . A 325 THR C . 25048 1 36 . 1 1 10 10 THR CA C 13 60.90 0.30 . 1 . . . A 325 THR CA . 25048 1 37 . 1 1 10 10 THR CB C 13 65.93 0.30 . 1 . . . A 325 THR CB . 25048 1 38 . 1 1 10 10 THR N N 15 105.52 0.40 . 1 . . . A 325 THR N . 25048 1 39 . 1 1 11 11 VAL H H 1 7.59 0.04 . 1 . . . A 326 VAL H . 25048 1 40 . 1 1 11 11 VAL HG11 H 1 0.77 0.04 . 1 . . . A 326 VAL HG1 . 25048 1 41 . 1 1 11 11 VAL HG12 H 1 0.77 0.04 . 1 . . . A 326 VAL HG1 . 25048 1 42 . 1 1 11 11 VAL HG13 H 1 0.77 0.04 . 1 . . . A 326 VAL HG1 . 25048 1 43 . 1 1 11 11 VAL HG21 H 1 0.36 0.04 . 1 . . . A 326 VAL HG2 . 25048 1 44 . 1 1 11 11 VAL HG22 H 1 0.36 0.04 . 1 . . . A 326 VAL HG2 . 25048 1 45 . 1 1 11 11 VAL HG23 H 1 0.36 0.04 . 1 . . . A 326 VAL HG2 . 25048 1 46 . 1 1 11 11 VAL C C 13 170.54 0.30 . 1 . . . A 326 VAL C . 25048 1 47 . 1 1 11 11 VAL CA C 13 60.76 0.30 . 1 . . . A 326 VAL CA . 25048 1 48 . 1 1 11 11 VAL CB C 13 34.42 0.30 . 1 . . . A 326 VAL CB . 25048 1 49 . 1 1 11 11 VAL CG1 C 13 20.93 0.30 . 1 . . . A 326 VAL CG1 . 25048 1 50 . 1 1 11 11 VAL CG2 C 13 20.75 0.30 . 1 . . . A 326 VAL CG2 . 25048 1 51 . 1 1 11 11 VAL N N 15 123.99 0.40 . 1 . . . A 326 VAL N . 25048 1 52 . 1 1 12 12 ALA H H 1 9.32 0.04 . 1 . . . A 327 ALA H . 25048 1 53 . 1 1 12 12 ALA C C 13 171.89 0.30 . 1 . . . A 327 ALA C . 25048 1 54 . 1 1 12 12 ALA CA C 13 48.79 0.30 . 1 . . . A 327 ALA CA . 25048 1 55 . 1 1 12 12 ALA CB C 13 22.63 0.30 . 1 . . . A 327 ALA CB . 25048 1 56 . 1 1 12 12 ALA N N 15 127.50 0.40 . 1 . . . A 327 ALA N . 25048 1 57 . 1 1 13 13 MET H H 1 7.59 0.04 . 1 . . . A 328 MET H . 25048 1 58 . 1 1 13 13 MET C C 13 172.02 0.30 . 1 . . . A 328 MET C . 25048 1 59 . 1 1 13 13 MET CA C 13 51.98 0.30 . 1 . . . A 328 MET CA . 25048 1 60 . 1 1 13 13 MET N N 15 120.34 0.40 . 1 . . . A 328 MET N . 25048 1 61 . 1 1 14 14 LEU H H 1 8.81 0.04 . 1 . . . A 329 LEU H . 25048 1 62 . 1 1 14 14 LEU HD11 H 1 -0.33 0.04 . 1 . . . A 329 LEU HD1 . 25048 1 63 . 1 1 14 14 LEU HD12 H 1 -0.33 0.04 . 1 . . . A 329 LEU HD1 . 25048 1 64 . 1 1 14 14 LEU HD13 H 1 -0.33 0.04 . 1 . . . A 329 LEU HD1 . 25048 1 65 . 1 1 14 14 LEU HD21 H 1 0.19 0.04 . 1 . . . A 329 LEU HD2 . 25048 1 66 . 1 1 14 14 LEU HD22 H 1 0.19 0.04 . 1 . . . A 329 LEU HD2 . 25048 1 67 . 1 1 14 14 LEU HD23 H 1 0.19 0.04 . 1 . . . A 329 LEU HD2 . 25048 1 68 . 1 1 14 14 LEU C C 13 173.05 0.30 . 1 . . . A 329 LEU C . 25048 1 69 . 1 1 14 14 LEU CA C 13 52.43 0.30 . 1 . . . A 329 LEU CA . 25048 1 70 . 1 1 14 14 LEU CB C 13 39.49 0.30 . 1 . . . A 329 LEU CB . 25048 1 71 . 1 1 14 14 LEU CD1 C 13 23.55 0.30 . 1 . . . A 329 LEU CD1 . 25048 1 72 . 1 1 14 14 LEU CD2 C 13 21.72 0.30 . 1 . . . A 329 LEU CD2 . 25048 1 73 . 1 1 14 14 LEU N N 15 125.31 0.40 . 1 . . . A 329 LEU N . 25048 1 74 . 1 1 15 15 ARG H H 1 9.49 0.04 . 1 . . . A 330 ARG H . 25048 1 75 . 1 1 15 15 ARG HE H 1 7.53 0.04 . 1 . . . A 330 ARG HE . 25048 1 76 . 1 1 15 15 ARG C C 13 174.17 0.30 . 1 . . . A 330 ARG C . 25048 1 77 . 1 1 15 15 ARG CA C 13 55.09 0.30 . 1 . . . A 330 ARG CA . 25048 1 78 . 1 1 15 15 ARG N N 15 128.67 0.40 . 1 . . . A 330 ARG N . 25048 1 79 . 1 1 15 15 ARG NE N 15 85.71 0.40 . 1 . . . A 330 ARG NE . 25048 1 80 . 1 1 16 16 GLY H H 1 8.53 0.04 . 1 . . . A 331 GLY H . 25048 1 81 . 1 1 16 16 GLY C C 13 170.60 0.30 . 1 . . . A 331 GLY C . 25048 1 82 . 1 1 16 16 GLY CA C 13 44.71 0.30 . 1 . . . A 331 GLY CA . 25048 1 83 . 1 1 16 16 GLY N N 15 103.73 0.40 . 1 . . . A 331 GLY N . 25048 1 84 . 1 1 17 17 GLU H H 1 7.55 0.04 . 1 . . . A 332 GLU H . 25048 1 85 . 1 1 17 17 GLU C C 13 170.50 0.30 . 1 . . . A 332 GLU C . 25048 1 86 . 1 1 17 17 GLU CA C 13 53.02 0.30 . 1 . . . A 332 GLU CA . 25048 1 87 . 1 1 17 17 GLU CB C 13 31.00 0.30 . 1 . . . A 332 GLU CB . 25048 1 88 . 1 1 17 17 GLU N N 15 120.62 0.40 . 1 . . . A 332 GLU N . 25048 1 89 . 1 1 18 18 MET H H 1 8.11 0.04 . 1 . . . A 333 MET H . 25048 1 90 . 1 1 18 18 MET C C 13 171.33 0.30 . 1 . . . A 333 MET C . 25048 1 91 . 1 1 18 18 MET CA C 13 54.80 0.30 . 1 . . . A 333 MET CA . 25048 1 92 . 1 1 18 18 MET CB C 13 32.08 0.30 . 1 . . . A 333 MET CB . 25048 1 93 . 1 1 18 18 MET N N 15 123.04 0.40 . 1 . . . A 333 MET N . 25048 1 94 . 1 1 19 19 PHE H H 1 8.96 0.04 . 1 . . . A 334 PHE H . 25048 1 95 . 1 1 19 19 PHE C C 13 171.16 0.30 . 1 . . . A 334 PHE C . 25048 1 96 . 1 1 19 19 PHE CA C 13 55.14 0.30 . 1 . . . A 334 PHE CA . 25048 1 97 . 1 1 19 19 PHE CB C 13 42.14 0.30 . 1 . . . A 334 PHE CB . 25048 1 98 . 1 1 19 19 PHE N N 15 125.98 0.40 . 1 . . . A 334 PHE N . 25048 1 99 . 1 1 20 20 VAL H H 1 8.60 0.04 . 1 . . . A 335 VAL H . 25048 1 100 . 1 1 20 20 VAL HG11 H 1 -0.14 0.04 . 1 . . . A 335 VAL HG1 . 25048 1 101 . 1 1 20 20 VAL HG12 H 1 -0.14 0.04 . 1 . . . A 335 VAL HG1 . 25048 1 102 . 1 1 20 20 VAL HG13 H 1 -0.14 0.04 . 1 . . . A 335 VAL HG1 . 25048 1 103 . 1 1 20 20 VAL HG21 H 1 0.49 0.04 . 1 . . . A 335 VAL HG2 . 25048 1 104 . 1 1 20 20 VAL HG22 H 1 0.49 0.04 . 1 . . . A 335 VAL HG2 . 25048 1 105 . 1 1 20 20 VAL HG23 H 1 0.49 0.04 . 1 . . . A 335 VAL HG2 . 25048 1 106 . 1 1 20 20 VAL C C 13 172.13 0.30 . 1 . . . A 335 VAL C . 25048 1 107 . 1 1 20 20 VAL CA C 13 60.11 0.30 . 1 . . . A 335 VAL CA . 25048 1 108 . 1 1 20 20 VAL CB C 13 32.79 0.30 . 1 . . . A 335 VAL CB . 25048 1 109 . 1 1 20 20 VAL CG1 C 13 20.03 0.30 . 1 . . . A 335 VAL CG1 . 25048 1 110 . 1 1 20 20 VAL CG2 C 13 20.23 0.30 . 1 . . . A 335 VAL CG2 . 25048 1 111 . 1 1 20 20 VAL N N 15 122.77 0.40 . 1 . . . A 335 VAL N . 25048 1 112 . 1 1 21 21 PHE H H 1 8.35 0.04 . 1 . . . A 336 PHE H . 25048 1 113 . 1 1 21 21 PHE C C 13 173.71 0.30 . 1 . . . A 336 PHE C . 25048 1 114 . 1 1 21 21 PHE CA C 13 56.60 0.30 . 1 . . . A 336 PHE CA . 25048 1 115 . 1 1 21 21 PHE CB C 13 40.36 0.30 . 1 . . . A 336 PHE CB . 25048 1 116 . 1 1 21 21 PHE N N 15 124.47 0.40 . 1 . . . A 336 PHE N . 25048 1 117 . 1 1 22 22 LYS H H 1 9.62 0.04 . 1 . . . A 337 LYS H . 25048 1 118 . 1 1 22 22 LYS C C 13 171.00 0.30 . 1 . . . A 337 LYS C . 25048 1 119 . 1 1 22 22 LYS CA C 13 56.80 0.30 . 1 . . . A 337 LYS CA . 25048 1 120 . 1 1 22 22 LYS CB C 13 35.58 0.30 . 1 . . . A 337 LYS CB . 25048 1 121 . 1 1 22 22 LYS N N 15 124.82 0.40 . 1 . . . A 337 LYS N . 25048 1 122 . 1 1 23 23 GLU H H 1 10.39 0.04 . 1 . . . A 338 GLU H . 25048 1 123 . 1 1 23 23 GLU C C 13 174.45 0.30 . 1 . . . A 338 GLU C . 25048 1 124 . 1 1 23 23 GLU CA C 13 58.23 0.30 . 1 . . . A 338 GLU CA . 25048 1 125 . 1 1 23 23 GLU CB C 13 25.61 0.30 . 1 . . . A 338 GLU CB . 25048 1 126 . 1 1 23 23 GLU N N 15 132.80 0.40 . 1 . . . A 338 GLU N . 25048 1 127 . 1 1 24 24 ARG H H 1 8.26 0.04 . 1 . . . A 339 ARG H . 25048 1 128 . 1 1 24 24 ARG C C 13 172.21 0.30 . 1 . . . A 339 ARG C . 25048 1 129 . 1 1 24 24 ARG CA C 13 55.35 0.30 . 1 . . . A 339 ARG CA . 25048 1 130 . 1 1 24 24 ARG CB C 13 28.51 0.30 . 1 . . . A 339 ARG CB . 25048 1 131 . 1 1 24 24 ARG N N 15 123.48 0.40 . 1 . . . A 339 ARG N . 25048 1 132 . 1 1 25 25 TRP H H 1 8.62 0.04 . 1 . . . A 340 TRP H . 25048 1 133 . 1 1 25 25 TRP C C 13 171.35 0.30 . 1 . . . A 340 TRP C . 25048 1 134 . 1 1 25 25 TRP CA C 13 56.50 0.30 . 1 . . . A 340 TRP CA . 25048 1 135 . 1 1 25 25 TRP CB C 13 32.00 0.30 . 1 . . . A 340 TRP CB . 25048 1 136 . 1 1 25 25 TRP N N 15 123.87 0.40 . 1 . . . A 340 TRP N . 25048 1 137 . 1 1 26 26 PHE H H 1 8.97 0.04 . 1 . . . A 341 PHE H . 25048 1 138 . 1 1 26 26 PHE C C 13 169.60 0.30 . 1 . . . A 341 PHE C . 25048 1 139 . 1 1 26 26 PHE CA C 13 54.89 0.30 . 1 . . . A 341 PHE CA . 25048 1 140 . 1 1 26 26 PHE CB C 13 41.49 0.30 . 1 . . . A 341 PHE CB . 25048 1 141 . 1 1 26 26 PHE N N 15 115.80 0.40 . 1 . . . A 341 PHE N . 25048 1 142 . 1 1 27 27 TRP H H 1 9.27 0.04 . 1 . . . A 342 TRP H . 25048 1 143 . 1 1 27 27 TRP C C 13 171.16 0.30 . 1 . . . A 342 TRP C . 25048 1 144 . 1 1 27 27 TRP CA C 13 56.05 0.30 . 1 . . . A 342 TRP CA . 25048 1 145 . 1 1 27 27 TRP CB C 13 33.32 0.30 . 1 . . . A 342 TRP CB . 25048 1 146 . 1 1 27 27 TRP N N 15 116.89 0.40 . 1 . . . A 342 TRP N . 25048 1 147 . 1 1 28 28 ARG HE H 1 6.83 0.04 . 1 . . . A 343 ARG HE . 25048 1 148 . 1 1 28 28 ARG NE N 15 84.80 0.40 . 1 . . . A 343 ARG NE . 25048 1 149 . 1 1 29 29 VAL H H 1 7.65 0.04 . 1 . . . A 344 VAL H . 25048 1 150 . 1 1 29 29 VAL HG11 H 1 0.58 0.04 . 1 . . . A 344 VAL HG1 . 25048 1 151 . 1 1 29 29 VAL HG12 H 1 0.58 0.04 . 1 . . . A 344 VAL HG1 . 25048 1 152 . 1 1 29 29 VAL HG13 H 1 0.58 0.04 . 1 . . . A 344 VAL HG1 . 25048 1 153 . 1 1 29 29 VAL HG21 H 1 0.41 0.04 . 1 . . . A 344 VAL HG2 . 25048 1 154 . 1 1 29 29 VAL HG22 H 1 0.41 0.04 . 1 . . . A 344 VAL HG2 . 25048 1 155 . 1 1 29 29 VAL HG23 H 1 0.41 0.04 . 1 . . . A 344 VAL HG2 . 25048 1 156 . 1 1 29 29 VAL C C 13 171.57 0.30 . 1 . . . A 344 VAL C . 25048 1 157 . 1 1 29 29 VAL CA C 13 58.35 0.30 . 1 . . . A 344 VAL CA . 25048 1 158 . 1 1 29 29 VAL CB C 13 33.17 0.30 . 1 . . . A 344 VAL CB . 25048 1 159 . 1 1 29 29 VAL CG1 C 13 20.99 0.30 . 1 . . . A 344 VAL CG1 . 25048 1 160 . 1 1 29 29 VAL CG2 C 13 20.15 0.30 . 1 . . . A 344 VAL CG2 . 25048 1 161 . 1 1 29 29 VAL N N 15 120.27 0.40 . 1 . . . A 344 VAL N . 25048 1 162 . 1 1 30 30 ARG H H 1 8.44 0.04 . 1 . . . A 345 ARG H . 25048 1 163 . 1 1 30 30 ARG HE H 1 7.29 0.04 . 1 . . . A 345 ARG HE . 25048 1 164 . 1 1 30 30 ARG C C 13 173.02 0.30 . 1 . . . A 345 ARG C . 25048 1 165 . 1 1 30 30 ARG CA C 13 54.76 0.30 . 1 . . . A 345 ARG CA . 25048 1 166 . 1 1 30 30 ARG CB C 13 32.12 0.30 . 1 . . . A 345 ARG CB . 25048 1 167 . 1 1 30 30 ARG N N 15 123.68 0.40 . 1 . . . A 345 ARG N . 25048 1 168 . 1 1 30 30 ARG NE N 15 85.76 0.40 . 1 . . . A 345 ARG NE . 25048 1 169 . 1 1 31 31 ASN H H 1 9.38 0.04 . 1 . . . A 346 ASN H . 25048 1 170 . 1 1 31 31 ASN CA C 13 53.29 0.30 . 1 . . . A 346 ASN CA . 25048 1 171 . 1 1 31 31 ASN N N 15 124.33 0.40 . 1 . . . A 346 ASN N . 25048 1 172 . 1 1 32 32 ASN H H 1 8.75 0.04 . 1 . . . A 347 ASN H . 25048 1 173 . 1 1 32 32 ASN C C 13 170.83 0.30 . 1 . . . A 347 ASN C . 25048 1 174 . 1 1 32 32 ASN CA C 13 51.92 0.30 . 1 . . . A 347 ASN CA . 25048 1 175 . 1 1 32 32 ASN CB C 13 36.40 0.30 . 1 . . . A 347 ASN CB . 25048 1 176 . 1 1 32 32 ASN N N 15 112.72 0.40 . 1 . . . A 347 ASN N . 25048 1 177 . 1 1 33 33 GLN H H 1 7.05 0.04 . 1 . . . A 348 GLN H . 25048 1 178 . 1 1 33 33 GLN C C 13 171.87 0.30 . 1 . . . A 348 GLN C . 25048 1 179 . 1 1 33 33 GLN CA C 13 52.95 0.30 . 1 . . . A 348 GLN CA . 25048 1 180 . 1 1 33 33 GLN CB C 13 31.01 0.30 . 1 . . . A 348 GLN CB . 25048 1 181 . 1 1 33 33 GLN N N 15 113.94 0.40 . 1 . . . A 348 GLN N . 25048 1 182 . 1 1 34 34 VAL H H 1 8.54 0.04 . 1 . . . A 349 VAL H . 25048 1 183 . 1 1 34 34 VAL HG11 H 1 1.29 0.04 . 1 . . . A 349 VAL HG1 . 25048 1 184 . 1 1 34 34 VAL HG12 H 1 1.29 0.04 . 1 . . . A 349 VAL HG1 . 25048 1 185 . 1 1 34 34 VAL HG13 H 1 1.29 0.04 . 1 . . . A 349 VAL HG1 . 25048 1 186 . 1 1 34 34 VAL HG21 H 1 0.96 0.04 . 1 . . . A 349 VAL HG2 . 25048 1 187 . 1 1 34 34 VAL HG22 H 1 0.96 0.04 . 1 . . . A 349 VAL HG2 . 25048 1 188 . 1 1 34 34 VAL HG23 H 1 0.96 0.04 . 1 . . . A 349 VAL HG2 . 25048 1 189 . 1 1 34 34 VAL C C 13 174.38 0.30 . 1 . . . A 349 VAL C . 25048 1 190 . 1 1 34 34 VAL CA C 13 62.16 0.30 . 1 . . . A 349 VAL CA . 25048 1 191 . 1 1 34 34 VAL CB C 13 30.66 0.30 . 1 . . . A 349 VAL CB . 25048 1 192 . 1 1 34 34 VAL CG1 C 13 23.24 0.30 . 1 . . . A 349 VAL CG1 . 25048 1 193 . 1 1 34 34 VAL CG2 C 13 23.05 0.30 . 1 . . . A 349 VAL CG2 . 25048 1 194 . 1 1 34 34 VAL N N 15 124.27 0.40 . 1 . . . A 349 VAL N . 25048 1 195 . 1 1 35 35 MET H H 1 8.01 0.04 . 1 . . . A 350 MET H . 25048 1 196 . 1 1 35 35 MET C C 13 173.04 0.30 . 1 . . . A 350 MET C . 25048 1 197 . 1 1 35 35 MET CA C 13 55.40 0.30 . 1 . . . A 350 MET CA . 25048 1 198 . 1 1 35 35 MET CB C 13 32.37 0.30 . 1 . . . A 350 MET CB . 25048 1 199 . 1 1 35 35 MET N N 15 128.17 0.40 . 1 . . . A 350 MET N . 25048 1 200 . 1 1 36 36 ASP H H 1 8.35 0.04 . 1 . . . A 351 ASP H . 25048 1 201 . 1 1 36 36 ASP C C 13 174.27 0.30 . 1 . . . A 351 ASP C . 25048 1 202 . 1 1 36 36 ASP CA C 13 55.06 0.30 . 1 . . . A 351 ASP CA . 25048 1 203 . 1 1 36 36 ASP CB C 13 39.61 0.30 . 1 . . . A 351 ASP CB . 25048 1 204 . 1 1 36 36 ASP N N 15 121.54 0.40 . 1 . . . A 351 ASP N . 25048 1 205 . 1 1 37 37 GLY H H 1 8.43 0.04 . 1 . . . A 352 GLY H . 25048 1 206 . 1 1 37 37 GLY C C 13 169.81 0.30 . 1 . . . A 352 GLY C . 25048 1 207 . 1 1 37 37 GLY CA C 13 43.46 0.30 . 1 . . . A 352 GLY CA . 25048 1 208 . 1 1 37 37 GLY N N 15 110.48 0.40 . 1 . . . A 352 GLY N . 25048 1 209 . 1 1 38 38 TYR H H 1 7.14 0.04 . 1 . . . A 353 TYR H . 25048 1 210 . 1 1 38 38 TYR C C 13 170.54 0.30 . 1 . . . A 353 TYR C . 25048 1 211 . 1 1 38 38 TYR CA C 13 55.88 0.30 . 1 . . . A 353 TYR CA . 25048 1 212 . 1 1 38 38 TYR CB C 13 36.45 0.30 . 1 . . . A 353 TYR CB . 25048 1 213 . 1 1 38 38 TYR N N 15 116.59 0.40 . 1 . . . A 353 TYR N . 25048 1 214 . 1 1 40 40 MET H H 1 8.32 0.04 . 1 . . . A 355 MET H . 25048 1 215 . 1 1 40 40 MET C C 13 169.77 0.30 . 1 . . . A 355 MET C . 25048 1 216 . 1 1 40 40 MET CA C 13 51.79 0.30 . 1 . . . A 355 MET CA . 25048 1 217 . 1 1 40 40 MET CB C 13 34.58 0.30 . 1 . . . A 355 MET CB . 25048 1 218 . 1 1 40 40 MET N N 15 119.69 0.40 . 1 . . . A 355 MET N . 25048 1 219 . 1 1 42 42 ILE H H 1 9.00 0.04 . 1 . . . A 357 ILE H . 25048 1 220 . 1 1 42 42 ILE HD11 H 1 1.23 0.04 . 1 . . . A 357 ILE HD . 25048 1 221 . 1 1 42 42 ILE HD12 H 1 1.23 0.04 . 1 . . . A 357 ILE HD . 25048 1 222 . 1 1 42 42 ILE HD13 H 1 1.23 0.04 . 1 . . . A 357 ILE HD . 25048 1 223 . 1 1 42 42 ILE C C 13 175.58 0.30 . 1 . . . A 357 ILE C . 25048 1 224 . 1 1 42 42 ILE CA C 13 64.98 0.30 . 1 . . . A 357 ILE CA . 25048 1 225 . 1 1 42 42 ILE CB C 13 38.69 0.30 . 1 . . . A 357 ILE CB . 25048 1 226 . 1 1 42 42 ILE CD1 C 13 15.21 0.30 . 1 . . . A 357 ILE CD1 . 25048 1 227 . 1 1 42 42 ILE N N 15 128.41 0.40 . 1 . . . A 357 ILE N . 25048 1 228 . 1 1 43 43 GLY H H 1 8.62 0.04 . 1 . . . A 358 GLY H . 25048 1 229 . 1 1 43 43 GLY C C 13 172.13 0.30 . 1 . . . A 358 GLY C . 25048 1 230 . 1 1 43 43 GLY CA C 13 44.49 0.30 . 1 . . . A 358 GLY CA . 25048 1 231 . 1 1 43 43 GLY N N 15 103.62 0.40 . 1 . . . A 358 GLY N . 25048 1 232 . 1 1 44 44 GLN H H 1 7.32 0.04 . 1 . . . A 359 GLN H . 25048 1 233 . 1 1 44 44 GLN C C 13 172.42 0.30 . 1 . . . A 359 GLN C . 25048 1 234 . 1 1 44 44 GLN CA C 13 55.16 0.30 . 1 . . . A 359 GLN CA . 25048 1 235 . 1 1 44 44 GLN CB C 13 27.94 0.30 . 1 . . . A 359 GLN CB . 25048 1 236 . 1 1 44 44 GLN N N 15 116.90 0.40 . 1 . . . A 359 GLN N . 25048 1 237 . 1 1 47 47 ARG H H 1 6.93 0.04 . 1 . . . A 362 ARG H . 25048 1 238 . 1 1 47 47 ARG C C 13 173.93 0.30 . 1 . . . A 362 ARG C . 25048 1 239 . 1 1 47 47 ARG CA C 13 58.71 0.30 . 1 . . . A 362 ARG CA . 25048 1 240 . 1 1 47 47 ARG CB C 13 28.12 0.30 . 1 . . . A 362 ARG CB . 25048 1 241 . 1 1 47 47 ARG N N 15 123.33 0.40 . 1 . . . A 362 ARG N . 25048 1 242 . 1 1 48 48 GLY H H 1 8.56 0.04 . 1 . . . A 363 GLY H . 25048 1 243 . 1 1 48 48 GLY C C 13 172.32 0.30 . 1 . . . A 363 GLY C . 25048 1 244 . 1 1 48 48 GLY CA C 13 43.44 0.30 . 1 . . . A 363 GLY CA . 25048 1 245 . 1 1 48 48 GLY N N 15 113.28 0.40 . 1 . . . A 363 GLY N . 25048 1 246 . 1 1 49 49 LEU H H 1 7.63 0.04 . 1 . . . A 364 LEU H . 25048 1 247 . 1 1 49 49 LEU HD21 H 1 0.94 0.04 . 1 . . . A 364 LEU HD2 . 25048 1 248 . 1 1 49 49 LEU HD22 H 1 0.94 0.04 . 1 . . . A 364 LEU HD2 . 25048 1 249 . 1 1 49 49 LEU HD23 H 1 0.94 0.04 . 1 . . . A 364 LEU HD2 . 25048 1 250 . 1 1 49 49 LEU CA C 13 55.55 0.30 . 1 . . . A 364 LEU CA . 25048 1 251 . 1 1 49 49 LEU CB C 13 39.72 0.30 . 1 . . . A 364 LEU CB . 25048 1 252 . 1 1 49 49 LEU CD2 C 13 26.62 0.30 . 1 . . . A 364 LEU CD2 . 25048 1 253 . 1 1 49 49 LEU N N 15 120.39 0.40 . 1 . . . A 364 LEU N . 25048 1 254 . 1 1 51 51 ALA H H 1 7.00 0.04 . 1 . . . A 366 ALA H . 25048 1 255 . 1 1 51 51 ALA C C 13 174.68 0.30 . 1 . . . A 366 ALA C . 25048 1 256 . 1 1 51 51 ALA CA C 13 49.61 0.30 . 1 . . . A 366 ALA CA . 25048 1 257 . 1 1 51 51 ALA CB C 13 19.06 0.30 . 1 . . . A 366 ALA CB . 25048 1 258 . 1 1 51 51 ALA N N 15 112.73 0.40 . 1 . . . A 366 ALA N . 25048 1 259 . 1 1 52 52 SER H H 1 8.09 0.04 . 1 . . . A 367 SER H . 25048 1 260 . 1 1 52 52 SER C C 13 173.03 0.30 . 1 . . . A 367 SER C . 25048 1 261 . 1 1 52 52 SER CA C 13 57.11 0.30 . 1 . . . A 367 SER CA . 25048 1 262 . 1 1 52 52 SER CB C 13 59.20 0.30 . 1 . . . A 367 SER CB . 25048 1 263 . 1 1 52 52 SER N N 15 112.05 0.40 . 1 . . . A 367 SER N . 25048 1 264 . 1 1 53 53 ILE H H 1 7.60 0.04 . 1 . . . A 368 ILE H . 25048 1 265 . 1 1 53 53 ILE HD11 H 1 -0.06 0.04 . 1 . . . A 368 ILE HD . 25048 1 266 . 1 1 53 53 ILE HD12 H 1 -0.06 0.04 . 1 . . . A 368 ILE HD . 25048 1 267 . 1 1 53 53 ILE HD13 H 1 -0.06 0.04 . 1 . . . A 368 ILE HD . 25048 1 268 . 1 1 53 53 ILE C C 13 172.11 0.30 . 1 . . . A 368 ILE C . 25048 1 269 . 1 1 53 53 ILE CA C 13 60.51 0.30 . 1 . . . A 368 ILE CA . 25048 1 270 . 1 1 53 53 ILE CB C 13 37.59 0.30 . 1 . . . A 368 ILE CB . 25048 1 271 . 1 1 53 53 ILE CD1 C 13 13.99 0.30 . 1 . . . A 368 ILE CD1 . 25048 1 272 . 1 1 53 53 ILE N N 15 114.47 0.40 . 1 . . . A 368 ILE N . 25048 1 273 . 1 1 54 54 ASN H H 1 9.19 0.04 . 1 . . . A 369 ASN H . 25048 1 274 . 1 1 54 54 ASN CA C 13 54.01 0.30 . 1 . . . A 369 ASN CA . 25048 1 275 . 1 1 54 54 ASN CB C 13 40.45 0.30 . 1 . . . A 369 ASN CB . 25048 1 276 . 1 1 54 54 ASN N N 15 114.34 0.40 . 1 . . . A 369 ASN N . 25048 1 277 . 1 1 55 55 THR H H 1 7.47 0.04 . 1 . . . A 370 THR H . 25048 1 278 . 1 1 55 55 THR C C 13 167.90 0.30 . 1 . . . A 370 THR C . 25048 1 279 . 1 1 55 55 THR CA C 13 61.13 0.30 . 1 . . . A 370 THR CA . 25048 1 280 . 1 1 55 55 THR CB C 13 67.52 0.30 . 1 . . . A 370 THR CB . 25048 1 281 . 1 1 55 55 THR N N 15 109.29 0.40 . 1 . . . A 370 THR N . 25048 1 282 . 1 1 56 56 ALA H H 1 8.67 0.04 . 1 . . . A 371 ALA H . 25048 1 283 . 1 1 56 56 ALA C C 13 172.74 0.30 . 1 . . . A 371 ALA C . 25048 1 284 . 1 1 56 56 ALA CA C 13 49.92 0.30 . 1 . . . A 371 ALA CA . 25048 1 285 . 1 1 56 56 ALA CB C 13 22.42 0.30 . 1 . . . A 371 ALA CB . 25048 1 286 . 1 1 56 56 ALA N N 15 126.30 0.40 . 1 . . . A 371 ALA N . 25048 1 287 . 1 1 57 57 TYR H H 1 8.85 0.04 . 1 . . . A 372 TYR H . 25048 1 288 . 1 1 57 57 TYR C C 13 167.96 0.30 . 1 . . . A 372 TYR C . 25048 1 289 . 1 1 57 57 TYR CA C 13 55.36 0.30 . 1 . . . A 372 TYR CA . 25048 1 290 . 1 1 57 57 TYR CB C 13 39.45 0.30 . 1 . . . A 372 TYR CB . 25048 1 291 . 1 1 57 57 TYR N N 15 117.07 0.40 . 1 . . . A 372 TYR N . 25048 1 292 . 1 1 58 58 GLU H H 1 8.40 0.04 . 1 . . . A 373 GLU H . 25048 1 293 . 1 1 58 58 GLU C C 13 172.14 0.30 . 1 . . . A 373 GLU C . 25048 1 294 . 1 1 58 58 GLU CA C 13 53.00 0.30 . 1 . . . A 373 GLU CA . 25048 1 295 . 1 1 58 58 GLU CB C 13 30.02 0.30 . 1 . . . A 373 GLU CB . 25048 1 296 . 1 1 58 58 GLU N N 15 122.65 0.40 . 1 . . . A 373 GLU N . 25048 1 297 . 1 1 59 59 ARG H H 1 7.91 0.04 . 1 . . . A 374 ARG H . 25048 1 298 . 1 1 59 59 ARG C C 13 174.59 0.30 . 1 . . . A 374 ARG C . 25048 1 299 . 1 1 59 59 ARG CA C 13 53.66 0.30 . 1 . . . A 374 ARG CA . 25048 1 300 . 1 1 59 59 ARG CB C 13 29.90 0.30 . 1 . . . A 374 ARG CB . 25048 1 301 . 1 1 59 59 ARG N N 15 123.91 0.40 . 1 . . . A 374 ARG N . 25048 1 302 . 1 1 60 60 LYS H H 1 8.07 0.04 . 1 . . . A 375 LYS H . 25048 1 303 . 1 1 60 60 LYS C C 13 174.37 0.30 . 1 . . . A 375 LYS C . 25048 1 304 . 1 1 60 60 LYS CA C 13 58.77 0.30 . 1 . . . A 375 LYS CA . 25048 1 305 . 1 1 60 60 LYS CB C 13 30.34 0.30 . 1 . . . A 375 LYS CB . 25048 1 306 . 1 1 60 60 LYS N N 15 121.67 0.40 . 1 . . . A 375 LYS N . 25048 1 307 . 1 1 61 61 ASP H H 1 7.62 0.04 . 1 . . . A 376 ASP H . 25048 1 308 . 1 1 61 61 ASP C C 13 174.31 0.30 . 1 . . . A 376 ASP C . 25048 1 309 . 1 1 61 61 ASP CA C 13 52.21 0.30 . 1 . . . A 376 ASP CA . 25048 1 310 . 1 1 61 61 ASP CB C 13 38.19 0.30 . 1 . . . A 376 ASP CB . 25048 1 311 . 1 1 61 61 ASP N N 15 114.87 0.40 . 1 . . . A 376 ASP N . 25048 1 312 . 1 1 62 62 GLY H H 1 7.92 0.04 . 1 . . . A 377 GLY H . 25048 1 313 . 1 1 62 62 GLY C C 13 171.70 0.30 . 1 . . . A 377 GLY C . 25048 1 314 . 1 1 62 62 GLY CA C 13 43.56 0.30 . 1 . . . A 377 GLY CA . 25048 1 315 . 1 1 62 62 GLY N N 15 109.05 0.40 . 1 . . . A 377 GLY N . 25048 1 316 . 1 1 63 63 LYS H H 1 7.34 0.04 . 1 . . . A 378 LYS H . 25048 1 317 . 1 1 63 63 LYS C C 13 172.10 0.30 . 1 . . . A 378 LYS C . 25048 1 318 . 1 1 63 63 LYS CA C 13 55.82 0.30 . 1 . . . A 378 LYS CA . 25048 1 319 . 1 1 63 63 LYS CB C 13 30.13 0.30 . 1 . . . A 378 LYS CB . 25048 1 320 . 1 1 63 63 LYS N N 15 119.44 0.40 . 1 . . . A 378 LYS N . 25048 1 321 . 1 1 64 64 PHE H H 1 8.50 0.04 . 1 . . . A 379 PHE H . 25048 1 322 . 1 1 64 64 PHE C C 13 171.75 0.30 . 1 . . . A 379 PHE C . 25048 1 323 . 1 1 64 64 PHE CA C 13 51.66 0.30 . 1 . . . A 379 PHE CA . 25048 1 324 . 1 1 64 64 PHE CB C 13 38.84 0.30 . 1 . . . A 379 PHE CB . 25048 1 325 . 1 1 64 64 PHE N N 15 119.23 0.40 . 1 . . . A 379 PHE N . 25048 1 326 . 1 1 65 65 VAL H H 1 8.74 0.04 . 1 . . . A 380 VAL H . 25048 1 327 . 1 1 65 65 VAL HG11 H 1 0.61 0.04 . 1 . . . A 380 VAL HG1 . 25048 1 328 . 1 1 65 65 VAL HG12 H 1 0.61 0.04 . 1 . . . A 380 VAL HG1 . 25048 1 329 . 1 1 65 65 VAL HG13 H 1 0.61 0.04 . 1 . . . A 380 VAL HG1 . 25048 1 330 . 1 1 65 65 VAL HG21 H 1 0.65 0.04 . 1 . . . A 380 VAL HG2 . 25048 1 331 . 1 1 65 65 VAL HG22 H 1 0.65 0.04 . 1 . . . A 380 VAL HG2 . 25048 1 332 . 1 1 65 65 VAL HG23 H 1 0.65 0.04 . 1 . . . A 380 VAL HG2 . 25048 1 333 . 1 1 65 65 VAL C C 13 171.66 0.30 . 1 . . . A 380 VAL C . 25048 1 334 . 1 1 65 65 VAL CA C 13 59.30 0.30 . 1 . . . A 380 VAL CA . 25048 1 335 . 1 1 65 65 VAL CB C 13 30.94 0.30 . 1 . . . A 380 VAL CB . 25048 1 336 . 1 1 65 65 VAL CG1 C 13 22.57 0.30 . 1 . . . A 380 VAL CG1 . 25048 1 337 . 1 1 65 65 VAL CG2 C 13 20.75 0.30 . 1 . . . A 380 VAL CG2 . 25048 1 338 . 1 1 65 65 VAL N N 15 123.08 0.40 . 1 . . . A 380 VAL N . 25048 1 339 . 1 1 66 66 PHE H H 1 8.71 0.04 . 1 . . . A 381 PHE H . 25048 1 340 . 1 1 66 66 PHE C C 13 172.77 0.30 . 1 . . . A 381 PHE C . 25048 1 341 . 1 1 66 66 PHE CA C 13 55.06 0.30 . 1 . . . A 381 PHE CA . 25048 1 342 . 1 1 66 66 PHE CB C 13 42.87 0.30 . 1 . . . A 381 PHE CB . 25048 1 343 . 1 1 66 66 PHE N N 15 122.01 0.40 . 1 . . . A 381 PHE N . 25048 1 344 . 1 1 67 67 PHE H H 1 8.78 0.04 . 1 . . . A 382 PHE H . 25048 1 345 . 1 1 67 67 PHE C C 13 173.30 0.30 . 1 . . . A 382 PHE C . 25048 1 346 . 1 1 67 67 PHE CA C 13 56.28 0.30 . 1 . . . A 382 PHE CA . 25048 1 347 . 1 1 67 67 PHE CB C 13 40.68 0.30 . 1 . . . A 382 PHE CB . 25048 1 348 . 1 1 67 67 PHE N N 15 119.14 0.40 . 1 . . . A 382 PHE N . 25048 1 349 . 1 1 68 68 LYS H H 1 8.84 0.04 . 1 . . . A 383 LYS H . 25048 1 350 . 1 1 68 68 LYS C C 13 173.40 0.30 . 1 . . . A 383 LYS C . 25048 1 351 . 1 1 68 68 LYS CA C 13 56.60 0.30 . 1 . . . A 383 LYS CA . 25048 1 352 . 1 1 68 68 LYS CB C 13 33.86 0.30 . 1 . . . A 383 LYS CB . 25048 1 353 . 1 1 68 68 LYS N N 15 121.98 0.40 . 1 . . . A 383 LYS N . 25048 1 354 . 1 1 69 69 GLY H H 1 9.09 0.04 . 1 . . . A 384 GLY H . 25048 1 355 . 1 1 69 69 GLY C C 13 170.47 0.30 . 1 . . . A 384 GLY C . 25048 1 356 . 1 1 69 69 GLY CA C 13 46.33 0.30 . 1 . . . A 384 GLY CA . 25048 1 357 . 1 1 69 69 GLY N N 15 121.23 0.40 . 1 . . . A 384 GLY N . 25048 1 358 . 1 1 70 70 ASP H H 1 7.96 0.04 . 1 . . . A 385 ASP H . 25048 1 359 . 1 1 70 70 ASP C C 13 172.72 0.30 . 1 . . . A 385 ASP C . 25048 1 360 . 1 1 70 70 ASP CA C 13 52.12 0.30 . 1 . . . A 385 ASP CA . 25048 1 361 . 1 1 70 70 ASP CB C 13 37.90 0.30 . 1 . . . A 385 ASP CB . 25048 1 362 . 1 1 70 70 ASP N N 15 123.94 0.40 . 1 . . . A 385 ASP N . 25048 1 363 . 1 1 71 71 LYS H H 1 7.78 0.04 . 1 . . . A 386 LYS H . 25048 1 364 . 1 1 71 71 LYS C C 13 172.13 0.30 . 1 . . . A 386 LYS C . 25048 1 365 . 1 1 71 71 LYS CA C 13 53.24 0.30 . 1 . . . A 386 LYS CA . 25048 1 366 . 1 1 71 71 LYS CB C 13 36.03 0.30 . 1 . . . A 386 LYS CB . 25048 1 367 . 1 1 71 71 LYS N N 15 118.02 0.40 . 1 . . . A 386 LYS N . 25048 1 368 . 1 1 72 72 HIS H H 1 8.18 0.04 . 1 . . . A 387 HIS H . 25048 1 369 . 1 1 72 72 HIS C C 13 169.23 0.30 . 1 . . . A 387 HIS C . 25048 1 370 . 1 1 72 72 HIS CA C 13 53.27 0.30 . 1 . . . A 387 HIS CA . 25048 1 371 . 1 1 72 72 HIS CB C 13 30.88 0.30 . 1 . . . A 387 HIS CB . 25048 1 372 . 1 1 72 72 HIS N N 15 112.46 0.40 . 1 . . . A 387 HIS N . 25048 1 373 . 1 1 73 73 TRP H H 1 9.16 0.04 . 1 . . . A 388 TRP H . 25048 1 374 . 1 1 73 73 TRP C C 13 170.61 0.30 . 1 . . . A 388 TRP C . 25048 1 375 . 1 1 73 73 TRP CA C 13 58.10 0.30 . 1 . . . A 388 TRP CA . 25048 1 376 . 1 1 73 73 TRP CB C 13 34.21 0.30 . 1 . . . A 388 TRP CB . 25048 1 377 . 1 1 73 73 TRP N N 15 121.17 0.40 . 1 . . . A 388 TRP N . 25048 1 378 . 1 1 74 74 VAL HG11 H 1 0.56 0.04 . 1 . . . A 389 VAL HG1 . 25048 1 379 . 1 1 74 74 VAL HG12 H 1 0.56 0.04 . 1 . . . A 389 VAL HG1 . 25048 1 380 . 1 1 74 74 VAL HG13 H 1 0.56 0.04 . 1 . . . A 389 VAL HG1 . 25048 1 381 . 1 1 74 74 VAL HG21 H 1 0.61 0.04 . 1 . . . A 389 VAL HG2 . 25048 1 382 . 1 1 74 74 VAL HG22 H 1 0.61 0.04 . 1 . . . A 389 VAL HG2 . 25048 1 383 . 1 1 74 74 VAL HG23 H 1 0.61 0.04 . 1 . . . A 389 VAL HG2 . 25048 1 384 . 1 1 74 74 VAL CA C 13 59.63 0.30 . 1 . . . A 389 VAL CA . 25048 1 385 . 1 1 74 74 VAL CB C 13 31.78 0.30 . 1 . . . A 389 VAL CB . 25048 1 386 . 1 1 74 74 VAL CG1 C 13 21.66 0.30 . 1 . . . A 389 VAL CG1 . 25048 1 387 . 1 1 74 74 VAL CG2 C 13 22.25 0.30 . 1 . . . A 389 VAL CG2 . 25048 1 388 . 1 1 76 76 ASP H H 1 8.54 0.04 . 1 . . . A 391 ASP H . 25048 1 389 . 1 1 76 76 ASP C C 13 173.46 0.30 . 1 . . . A 391 ASP C . 25048 1 390 . 1 1 76 76 ASP CA C 13 51.08 0.30 . 1 . . . A 391 ASP CA . 25048 1 391 . 1 1 76 76 ASP CB C 13 39.89 0.30 . 1 . . . A 391 ASP CB . 25048 1 392 . 1 1 76 76 ASP N N 15 121.31 0.40 . 1 . . . A 391 ASP N . 25048 1 393 . 1 1 77 77 GLU H H 1 8.50 0.04 . 1 . . . A 392 GLU H . 25048 1 394 . 1 1 77 77 GLU CA C 13 58.22 0.30 . 1 . . . A 392 GLU CA . 25048 1 395 . 1 1 77 77 GLU N N 15 124.54 0.40 . 1 . . . A 392 GLU N . 25048 1 396 . 1 1 79 79 SER H H 1 8.21 0.04 . 1 . . . A 394 SER H . 25048 1 397 . 1 1 79 79 SER C C 13 170.92 0.30 . 1 . . . A 394 SER C . 25048 1 398 . 1 1 79 79 SER CA C 13 56.68 0.30 . 1 . . . A 394 SER CA . 25048 1 399 . 1 1 79 79 SER CB C 13 62.78 0.30 . 1 . . . A 394 SER CB . 25048 1 400 . 1 1 79 79 SER N N 15 116.21 0.40 . 1 . . . A 394 SER N . 25048 1 401 . 1 1 80 80 LEU H H 1 8.64 0.04 . 1 . . . A 395 LEU H . 25048 1 402 . 1 1 80 80 LEU HD11 H 1 0.47 0.04 . 1 . . . A 395 LEU HD1 . 25048 1 403 . 1 1 80 80 LEU HD12 H 1 0.47 0.04 . 1 . . . A 395 LEU HD1 . 25048 1 404 . 1 1 80 80 LEU HD13 H 1 0.47 0.04 . 1 . . . A 395 LEU HD1 . 25048 1 405 . 1 1 80 80 LEU HD21 H 1 0.49 0.04 . 1 . . . A 395 LEU HD2 . 25048 1 406 . 1 1 80 80 LEU HD22 H 1 0.49 0.04 . 1 . . . A 395 LEU HD2 . 25048 1 407 . 1 1 80 80 LEU HD23 H 1 0.49 0.04 . 1 . . . A 395 LEU HD2 . 25048 1 408 . 1 1 80 80 LEU C C 13 173.97 0.30 . 1 . . . A 395 LEU C . 25048 1 409 . 1 1 80 80 LEU CA C 13 54.17 0.30 . 1 . . . A 395 LEU CA . 25048 1 410 . 1 1 80 80 LEU CB C 13 39.54 0.30 . 1 . . . A 395 LEU CB . 25048 1 411 . 1 1 80 80 LEU CD1 C 13 24.11 0.30 . 1 . . . A 395 LEU CD1 . 25048 1 412 . 1 1 80 80 LEU CD2 C 13 24.91 0.30 . 1 . . . A 395 LEU CD2 . 25048 1 413 . 1 1 80 80 LEU N N 15 133.51 0.40 . 1 . . . A 395 LEU N . 25048 1 414 . 1 1 81 81 GLU H H 1 8.33 0.04 . 1 . . . A 396 GLU H . 25048 1 415 . 1 1 81 81 GLU C C 13 171.36 0.30 . 1 . . . A 396 GLU C . 25048 1 416 . 1 1 81 81 GLU CA C 13 54.10 0.30 . 1 . . . A 396 GLU CA . 25048 1 417 . 1 1 81 81 GLU CB C 13 28.12 0.30 . 1 . . . A 396 GLU CB . 25048 1 418 . 1 1 81 81 GLU N N 15 130.33 0.40 . 1 . . . A 396 GLU N . 25048 1 419 . 1 1 83 83 GLY H H 1 8.54 0.04 . 1 . . . A 398 GLY H . 25048 1 420 . 1 1 83 83 GLY CA C 13 44.04 0.30 . 1 . . . A 398 GLY CA . 25048 1 421 . 1 1 83 83 GLY N N 15 109.70 0.40 . 1 . . . A 398 GLY N . 25048 1 422 . 1 1 84 84 TYR H H 1 7.29 0.04 . 1 . . . A 399 TYR H . 25048 1 423 . 1 1 84 84 TYR C C 13 170.50 0.30 . 1 . . . A 399 TYR C . 25048 1 424 . 1 1 84 84 TYR CA C 13 55.97 0.30 . 1 . . . A 399 TYR CA . 25048 1 425 . 1 1 84 84 TYR CB C 13 36.75 0.30 . 1 . . . A 399 TYR CB . 25048 1 426 . 1 1 84 84 TYR N N 15 117.16 0.40 . 1 . . . A 399 TYR N . 25048 1 427 . 1 1 86 86 LYS H H 1 7.50 0.04 . 1 . . . A 401 LYS H . 25048 1 428 . 1 1 86 86 LYS C C 13 173.16 0.30 . 1 . . . A 401 LYS C . 25048 1 429 . 1 1 86 86 LYS CA C 13 53.05 0.30 . 1 . . . A 401 LYS CA . 25048 1 430 . 1 1 86 86 LYS CB C 13 36.60 0.30 . 1 . . . A 401 LYS CB . 25048 1 431 . 1 1 86 86 LYS N N 15 116.01 0.40 . 1 . . . A 401 LYS N . 25048 1 432 . 1 1 87 87 HIS H H 1 9.09 0.04 . 1 . . . A 402 HIS H . 25048 1 433 . 1 1 87 87 HIS C C 13 175.96 0.30 . 1 . . . A 402 HIS C . 25048 1 434 . 1 1 87 87 HIS CA C 13 56.81 0.30 . 1 . . . A 402 HIS CA . 25048 1 435 . 1 1 87 87 HIS CB C 13 29.70 0.30 . 1 . . . A 402 HIS CB . 25048 1 436 . 1 1 87 87 HIS N N 15 125.67 0.40 . 1 . . . A 402 HIS N . 25048 1 437 . 1 1 88 88 ILE H H 1 8.36 0.04 . 1 . . . A 403 ILE H . 25048 1 438 . 1 1 88 88 ILE HD11 H 1 0.57 0.04 . 1 . . . A 403 ILE HD . 25048 1 439 . 1 1 88 88 ILE HD12 H 1 0.57 0.04 . 1 . . . A 403 ILE HD . 25048 1 440 . 1 1 88 88 ILE HD13 H 1 0.57 0.04 . 1 . . . A 403 ILE HD . 25048 1 441 . 1 1 88 88 ILE C C 13 175.50 0.30 . 1 . . . A 403 ILE C . 25048 1 442 . 1 1 88 88 ILE CA C 13 64.82 0.30 . 1 . . . A 403 ILE CA . 25048 1 443 . 1 1 88 88 ILE CB C 13 36.37 0.30 . 1 . . . A 403 ILE CB . 25048 1 444 . 1 1 88 88 ILE CD1 C 13 13.14 0.30 . 1 . . . A 403 ILE CD1 . 25048 1 445 . 1 1 88 88 ILE N N 15 125.46 0.40 . 1 . . . A 403 ILE N . 25048 1 446 . 1 1 90 90 GLU H H 1 8.01 0.04 . 1 . . . A 405 GLU H . 25048 1 447 . 1 1 90 90 GLU C C 13 175.53 0.30 . 1 . . . A 405 GLU C . 25048 1 448 . 1 1 90 90 GLU CA C 13 55.55 0.30 . 1 . . . A 405 GLU CA . 25048 1 449 . 1 1 90 90 GLU CB C 13 27.77 0.30 . 1 . . . A 405 GLU CB . 25048 1 450 . 1 1 90 90 GLU N N 15 115.94 0.40 . 1 . . . A 405 GLU N . 25048 1 451 . 1 1 91 91 LEU H H 1 7.79 0.04 . 1 . . . A 406 LEU H . 25048 1 452 . 1 1 91 91 LEU HD11 H 1 1.24 0.04 . 1 . . . A 406 LEU HD1 . 25048 1 453 . 1 1 91 91 LEU HD12 H 1 1.24 0.04 . 1 . . . A 406 LEU HD1 . 25048 1 454 . 1 1 91 91 LEU HD13 H 1 1.24 0.04 . 1 . . . A 406 LEU HD1 . 25048 1 455 . 1 1 91 91 LEU C C 13 173.99 0.30 . 1 . . . A 406 LEU C . 25048 1 456 . 1 1 91 91 LEU CA C 13 56.46 0.30 . 1 . . . A 406 LEU CA . 25048 1 457 . 1 1 91 91 LEU CB C 13 40.45 0.30 . 1 . . . A 406 LEU CB . 25048 1 458 . 1 1 91 91 LEU CD1 C 13 24.77 0.30 . 1 . . . A 406 LEU CD1 . 25048 1 459 . 1 1 91 91 LEU N N 15 122.37 0.40 . 1 . . . A 406 LEU N . 25048 1 460 . 1 1 92 92 GLY H H 1 6.57 0.04 . 1 . . . A 407 GLY H . 25048 1 461 . 1 1 92 92 GLY C C 13 168.37 0.30 . 1 . . . A 407 GLY C . 25048 1 462 . 1 1 92 92 GLY CA C 13 43.71 0.30 . 1 . . . A 407 GLY CA . 25048 1 463 . 1 1 92 92 GLY N N 15 100.42 0.40 . 1 . . . A 407 GLY N . 25048 1 464 . 1 1 93 93 ARG H H 1 8.00 0.04 . 1 . . . A 408 ARG H . 25048 1 465 . 1 1 93 93 ARG C C 13 174.32 0.30 . 1 . . . A 408 ARG C . 25048 1 466 . 1 1 93 93 ARG CA C 13 55.36 0.30 . 1 . . . A 408 ARG CA . 25048 1 467 . 1 1 93 93 ARG CB C 13 30.23 0.30 . 1 . . . A 408 ARG CB . 25048 1 468 . 1 1 93 93 ARG N N 15 119.88 0.40 . 1 . . . A 408 ARG N . 25048 1 469 . 1 1 94 94 GLY H H 1 8.47 0.04 . 1 . . . A 409 GLY H . 25048 1 470 . 1 1 94 94 GLY C C 13 171.48 0.30 . 1 . . . A 409 GLY C . 25048 1 471 . 1 1 94 94 GLY CA C 13 44.66 0.30 . 1 . . . A 409 GLY CA . 25048 1 472 . 1 1 94 94 GLY N N 15 110.18 0.40 . 1 . . . A 409 GLY N . 25048 1 473 . 1 1 95 95 LEU H H 1 7.37 0.04 . 1 . . . A 410 LEU H . 25048 1 474 . 1 1 95 95 LEU HD11 H 1 -0.09 0.04 . 1 . . . A 410 LEU HD1 . 25048 1 475 . 1 1 95 95 LEU HD12 H 1 -0.09 0.04 . 1 . . . A 410 LEU HD1 . 25048 1 476 . 1 1 95 95 LEU HD13 H 1 -0.09 0.04 . 1 . . . A 410 LEU HD1 . 25048 1 477 . 1 1 95 95 LEU HD21 H 1 0.05 0.04 . 1 . . . A 410 LEU HD2 . 25048 1 478 . 1 1 95 95 LEU HD22 H 1 0.05 0.04 . 1 . . . A 410 LEU HD2 . 25048 1 479 . 1 1 95 95 LEU HD23 H 1 0.05 0.04 . 1 . . . A 410 LEU HD2 . 25048 1 480 . 1 1 95 95 LEU C C 13 171.46 0.30 . 1 . . . A 410 LEU C . 25048 1 481 . 1 1 95 95 LEU CA C 13 51.35 0.30 . 1 . . . A 410 LEU CA . 25048 1 482 . 1 1 95 95 LEU CB C 13 39.05 0.30 . 1 . . . A 410 LEU CB . 25048 1 483 . 1 1 95 95 LEU CD1 C 13 25.46 0.30 . 1 . . . A 410 LEU CD1 . 25048 1 484 . 1 1 95 95 LEU CD2 C 13 23.48 0.30 . 1 . . . A 410 LEU CD2 . 25048 1 485 . 1 1 95 95 LEU N N 15 120.26 0.40 . 1 . . . A 410 LEU N . 25048 1 486 . 1 1 97 97 THR H H 1 8.02 0.04 . 1 . . . A 412 THR H . 25048 1 487 . 1 1 97 97 THR C C 13 171.37 0.30 . 1 . . . A 412 THR C . 25048 1 488 . 1 1 97 97 THR CA C 13 60.43 0.30 . 1 . . . A 412 THR CA . 25048 1 489 . 1 1 97 97 THR CB C 13 68.45 0.30 . 1 . . . A 412 THR CB . 25048 1 490 . 1 1 97 97 THR N N 15 107.35 0.40 . 1 . . . A 412 THR N . 25048 1 491 . 1 1 98 98 ASP H H 1 8.55 0.04 . 1 . . . A 413 ASP H . 25048 1 492 . 1 1 98 98 ASP C C 13 171.65 0.30 . 1 . . . A 413 ASP C . 25048 1 493 . 1 1 98 98 ASP CA C 13 53.64 0.30 . 1 . . . A 413 ASP CA . 25048 1 494 . 1 1 98 98 ASP CB C 13 39.17 0.30 . 1 . . . A 413 ASP CB . 25048 1 495 . 1 1 98 98 ASP N N 15 119.01 0.40 . 1 . . . A 413 ASP N . 25048 1 496 . 1 1 99 99 LYS H H 1 7.76 0.04 . 1 . . . A 414 LYS H . 25048 1 497 . 1 1 99 99 LYS C C 13 169.41 0.30 . 1 . . . A 414 LYS C . 25048 1 498 . 1 1 99 99 LYS CA C 13 54.20 0.30 . 1 . . . A 414 LYS CA . 25048 1 499 . 1 1 99 99 LYS CB C 13 31.61 0.30 . 1 . . . A 414 LYS CB . 25048 1 500 . 1 1 99 99 LYS N N 15 116.84 0.40 . 1 . . . A 414 LYS N . 25048 1 501 . 1 1 100 100 ILE H H 1 8.99 0.04 . 1 . . . A 415 ILE H . 25048 1 502 . 1 1 100 100 ILE HD11 H 1 -0.26 0.04 . 1 . . . A 415 ILE HD . 25048 1 503 . 1 1 100 100 ILE HD12 H 1 -0.26 0.04 . 1 . . . A 415 ILE HD . 25048 1 504 . 1 1 100 100 ILE HD13 H 1 -0.26 0.04 . 1 . . . A 415 ILE HD . 25048 1 505 . 1 1 100 100 ILE C C 13 172.08 0.30 . 1 . . . A 415 ILE C . 25048 1 506 . 1 1 100 100 ILE CA C 13 58.06 0.30 . 1 . . . A 415 ILE CA . 25048 1 507 . 1 1 100 100 ILE CB C 13 38.03 0.30 . 1 . . . A 415 ILE CB . 25048 1 508 . 1 1 100 100 ILE CD1 C 13 10.54 0.30 . 1 . . . A 415 ILE CD1 . 25048 1 509 . 1 1 100 100 ILE N N 15 118.47 0.40 . 1 . . . A 415 ILE N . 25048 1 510 . 1 1 101 101 ASP H H 1 8.00 0.04 . 1 . . . A 416 ASP H . 25048 1 511 . 1 1 101 101 ASP C C 13 172.09 0.30 . 1 . . . A 416 ASP C . 25048 1 512 . 1 1 101 101 ASP CA C 13 56.18 0.30 . 1 . . . A 416 ASP CA . 25048 1 513 . 1 1 101 101 ASP CB C 13 40.36 0.30 . 1 . . . A 416 ASP CB . 25048 1 514 . 1 1 101 101 ASP N N 15 122.45 0.40 . 1 . . . A 416 ASP N . 25048 1 515 . 1 1 102 102 ALA H H 1 7.37 0.04 . 1 . . . A 417 ALA H . 25048 1 516 . 1 1 102 102 ALA C C 13 171.87 0.30 . 1 . . . A 417 ALA C . 25048 1 517 . 1 1 102 102 ALA CA C 13 50.32 0.30 . 1 . . . A 417 ALA CA . 25048 1 518 . 1 1 102 102 ALA CB C 13 19.10 0.30 . 1 . . . A 417 ALA CB . 25048 1 519 . 1 1 102 102 ALA N N 15 113.15 0.40 . 1 . . . A 417 ALA N . 25048 1 520 . 1 1 103 103 ALA H H 1 8.00 0.04 . 1 . . . A 418 ALA H . 25048 1 521 . 1 1 103 103 ALA C C 13 171.25 0.30 . 1 . . . A 418 ALA C . 25048 1 522 . 1 1 103 103 ALA CA C 13 49.99 0.30 . 1 . . . A 418 ALA CA . 25048 1 523 . 1 1 103 103 ALA CB C 13 21.57 0.30 . 1 . . . A 418 ALA CB . 25048 1 524 . 1 1 103 103 ALA N N 15 124.68 0.40 . 1 . . . A 418 ALA N . 25048 1 525 . 1 1 104 104 LEU H H 1 8.77 0.04 . 1 . . . A 419 LEU H . 25048 1 526 . 1 1 104 104 LEU HD11 H 1 1.07 0.04 . 1 . . . A 419 LEU HD1 . 25048 1 527 . 1 1 104 104 LEU HD12 H 1 1.07 0.04 . 1 . . . A 419 LEU HD1 . 25048 1 528 . 1 1 104 104 LEU HD13 H 1 1.07 0.04 . 1 . . . A 419 LEU HD1 . 25048 1 529 . 1 1 104 104 LEU C C 13 171.53 0.30 . 1 . . . A 419 LEU C . 25048 1 530 . 1 1 104 104 LEU CA C 13 52.16 0.30 . 1 . . . A 419 LEU CA . 25048 1 531 . 1 1 104 104 LEU CB C 13 44.41 0.30 . 1 . . . A 419 LEU CB . 25048 1 532 . 1 1 104 104 LEU CD1 C 13 22.98 0.30 . 1 . . . A 419 LEU CD1 . 25048 1 533 . 1 1 104 104 LEU N N 15 123.84 0.40 . 1 . . . A 419 LEU N . 25048 1 534 . 1 1 105 105 PHE H H 1 8.97 0.04 . 1 . . . A 420 PHE H . 25048 1 535 . 1 1 105 105 PHE C C 13 171.11 0.30 . 1 . . . A 420 PHE C . 25048 1 536 . 1 1 105 105 PHE CA C 13 57.14 0.30 . 1 . . . A 420 PHE CA . 25048 1 537 . 1 1 105 105 PHE CB C 13 38.02 0.30 . 1 . . . A 420 PHE CB . 25048 1 538 . 1 1 105 105 PHE N N 15 128.49 0.40 . 1 . . . A 420 PHE N . 25048 1 539 . 1 1 106 106 TRP H H 1 8.98 0.04 . 1 . . . A 421 TRP H . 25048 1 540 . 1 1 106 106 TRP C C 13 170.62 0.30 . 1 . . . A 421 TRP C . 25048 1 541 . 1 1 106 106 TRP CA C 13 54.45 0.30 . 1 . . . A 421 TRP CA . 25048 1 542 . 1 1 106 106 TRP CB C 13 27.92 0.30 . 1 . . . A 421 TRP CB . 25048 1 543 . 1 1 106 106 TRP N N 15 134.40 0.40 . 1 . . . A 421 TRP N . 25048 1 544 . 1 1 107 107 MET H H 1 6.99 0.04 . 1 . . . A 422 MET H . 25048 1 545 . 1 1 107 107 MET C C 13 171.89 0.30 . 1 . . . A 422 MET C . 25048 1 546 . 1 1 107 107 MET CA C 13 58.44 0.30 . 1 . . . A 422 MET CA . 25048 1 547 . 1 1 107 107 MET CB C 13 29.01 0.30 . 1 . . . A 422 MET CB . 25048 1 548 . 1 1 107 107 MET N N 15 124.64 0.40 . 1 . . . A 422 MET N . 25048 1 549 . 1 1 109 109 ASN H H 1 6.97 0.04 . 1 . . . A 424 ASN H . 25048 1 550 . 1 1 109 109 ASN C C 13 173.66 0.30 . 1 . . . A 424 ASN C . 25048 1 551 . 1 1 109 109 ASN CA C 13 50.51 0.30 . 1 . . . A 424 ASN CA . 25048 1 552 . 1 1 109 109 ASN CB C 13 38.14 0.30 . 1 . . . A 424 ASN CB . 25048 1 553 . 1 1 109 109 ASN N N 15 108.18 0.40 . 1 . . . A 424 ASN N . 25048 1 554 . 1 1 110 110 GLY H H 1 8.19 0.04 . 1 . . . A 425 GLY H . 25048 1 555 . 1 1 110 110 GLY C C 13 171.71 0.30 . 1 . . . A 425 GLY C . 25048 1 556 . 1 1 110 110 GLY CA C 13 45.65 0.30 . 1 . . . A 425 GLY CA . 25048 1 557 . 1 1 110 110 GLY N N 15 109.25 0.40 . 1 . . . A 425 GLY N . 25048 1 558 . 1 1 111 111 LYS H H 1 7.86 0.04 . 1 . . . A 426 LYS H . 25048 1 559 . 1 1 111 111 LYS C C 13 170.68 0.30 . 1 . . . A 426 LYS C . 25048 1 560 . 1 1 111 111 LYS CA C 13 53.91 0.30 . 1 . . . A 426 LYS CA . 25048 1 561 . 1 1 111 111 LYS CB C 13 32.10 0.30 . 1 . . . A 426 LYS CB . 25048 1 562 . 1 1 111 111 LYS N N 15 121.41 0.40 . 1 . . . A 426 LYS N . 25048 1 563 . 1 1 112 112 THR H H 1 7.97 0.04 . 1 . . . A 427 THR H . 25048 1 564 . 1 1 112 112 THR C C 13 170.69 0.30 . 1 . . . A 427 THR C . 25048 1 565 . 1 1 112 112 THR CA C 13 60.17 0.30 . 1 . . . A 427 THR CA . 25048 1 566 . 1 1 112 112 THR CB C 13 69.72 0.30 . 1 . . . A 427 THR CB . 25048 1 567 . 1 1 112 112 THR N N 15 115.76 0.40 . 1 . . . A 427 THR N . 25048 1 568 . 1 1 113 113 TYR H H 1 9.40 0.04 . 1 . . . A 428 TYR H . 25048 1 569 . 1 1 113 113 TYR C C 13 171.45 0.30 . 1 . . . A 428 TYR C . 25048 1 570 . 1 1 113 113 TYR CA C 13 54.82 0.30 . 1 . . . A 428 TYR CA . 25048 1 571 . 1 1 113 113 TYR CB C 13 39.57 0.30 . 1 . . . A 428 TYR CB . 25048 1 572 . 1 1 113 113 TYR N N 15 124.42 0.40 . 1 . . . A 428 TYR N . 25048 1 573 . 1 1 114 114 PHE H H 1 8.55 0.04 . 1 . . . A 429 PHE H . 25048 1 574 . 1 1 114 114 PHE C C 13 172.38 0.30 . 1 . . . A 429 PHE C . 25048 1 575 . 1 1 114 114 PHE CA C 13 53.64 0.30 . 1 . . . A 429 PHE CA . 25048 1 576 . 1 1 114 114 PHE CB C 13 40.24 0.30 . 1 . . . A 429 PHE CB . 25048 1 577 . 1 1 114 114 PHE N N 15 119.01 0.40 . 1 . . . A 429 PHE N . 25048 1 578 . 1 1 115 115 PHE H H 1 9.26 0.04 . 1 . . . A 430 PHE H . 25048 1 579 . 1 1 115 115 PHE C C 13 172.42 0.30 . 1 . . . A 430 PHE C . 25048 1 580 . 1 1 115 115 PHE CA C 13 56.28 0.30 . 1 . . . A 430 PHE CA . 25048 1 581 . 1 1 115 115 PHE CB C 13 39.40 0.30 . 1 . . . A 430 PHE CB . 25048 1 582 . 1 1 115 115 PHE N N 15 122.00 0.40 . 1 . . . A 430 PHE N . 25048 1 583 . 1 1 116 116 ARG H H 1 8.91 0.04 . 1 . . . A 431 ARG H . 25048 1 584 . 1 1 116 116 ARG C C 13 173.08 0.30 . 1 . . . A 431 ARG C . 25048 1 585 . 1 1 116 116 ARG CA C 13 53.92 0.30 . 1 . . . A 431 ARG CA . 25048 1 586 . 1 1 116 116 ARG CB C 13 30.37 0.30 . 1 . . . A 431 ARG CB . 25048 1 587 . 1 1 116 116 ARG N N 15 123.29 0.40 . 1 . . . A 431 ARG N . 25048 1 588 . 1 1 117 117 GLY H H 1 9.93 0.04 . 1 . . . A 432 GLY H . 25048 1 589 . 1 1 117 117 GLY C C 13 171.98 0.30 . 1 . . . A 432 GLY C . 25048 1 590 . 1 1 117 117 GLY CA C 13 46.49 0.30 . 1 . . . A 432 GLY CA . 25048 1 591 . 1 1 117 117 GLY N N 15 121.86 0.40 . 1 . . . A 432 GLY N . 25048 1 592 . 1 1 118 118 ASN H H 1 8.44 0.04 . 1 . . . A 433 ASN H . 25048 1 593 . 1 1 118 118 ASN C C 13 172.05 0.30 . 1 . . . A 433 ASN C . 25048 1 594 . 1 1 118 118 ASN CA C 13 50.73 0.30 . 1 . . . A 433 ASN CA . 25048 1 595 . 1 1 118 118 ASN CB C 13 36.35 0.30 . 1 . . . A 433 ASN CB . 25048 1 596 . 1 1 118 118 ASN N N 15 127.00 0.40 . 1 . . . A 433 ASN N . 25048 1 597 . 1 1 119 119 LYS H H 1 8.32 0.04 . 1 . . . A 434 LYS H . 25048 1 598 . 1 1 119 119 LYS C C 13 172.35 0.30 . 1 . . . A 434 LYS C . 25048 1 599 . 1 1 119 119 LYS CA C 13 53.66 0.30 . 1 . . . A 434 LYS CA . 25048 1 600 . 1 1 119 119 LYS CB C 13 36.44 0.30 . 1 . . . A 434 LYS CB . 25048 1 601 . 1 1 119 119 LYS N N 15 119.69 0.40 . 1 . . . A 434 LYS N . 25048 1 602 . 1 1 120 120 TYR H H 1 8.84 0.04 . 1 . . . A 435 TYR H . 25048 1 603 . 1 1 120 120 TYR C C 13 169.69 0.30 . 1 . . . A 435 TYR C . 25048 1 604 . 1 1 120 120 TYR CA C 13 54.85 0.30 . 1 . . . A 435 TYR CA . 25048 1 605 . 1 1 120 120 TYR CB C 13 41.04 0.30 . 1 . . . A 435 TYR CB . 25048 1 606 . 1 1 120 120 TYR N N 15 116.08 0.40 . 1 . . . A 435 TYR N . 25048 1 607 . 1 1 121 121 TYR H H 1 9.20 0.04 . 1 . . . A 436 TYR H . 25048 1 608 . 1 1 121 121 TYR C C 13 170.72 0.30 . 1 . . . A 436 TYR C . 25048 1 609 . 1 1 121 121 TYR CA C 13 56.30 0.30 . 1 . . . A 436 TYR CA . 25048 1 610 . 1 1 121 121 TYR CB C 13 39.60 0.30 . 1 . . . A 436 TYR CB . 25048 1 611 . 1 1 121 121 TYR N N 15 118.38 0.40 . 1 . . . A 436 TYR N . 25048 1 612 . 1 1 122 122 ARG H H 1 5.28 0.04 . 1 . . . A 437 ARG H . 25048 1 613 . 1 1 122 122 ARG C C 13 169.60 0.30 . 1 . . . A 437 ARG C . 25048 1 614 . 1 1 122 122 ARG CA C 13 54.20 0.30 . 1 . . . A 437 ARG CA . 25048 1 615 . 1 1 122 122 ARG CB C 13 29.87 0.30 . 1 . . . A 437 ARG CB . 25048 1 616 . 1 1 122 122 ARG N N 15 124.50 0.40 . 1 . . . A 437 ARG N . 25048 1 617 . 1 1 123 123 PHE H H 1 9.48 0.04 . 1 . . . A 438 PHE H . 25048 1 618 . 1 1 123 123 PHE C C 13 169.50 0.30 . 1 . . . A 438 PHE C . 25048 1 619 . 1 1 123 123 PHE CA C 13 56.25 0.30 . 1 . . . A 438 PHE CA . 25048 1 620 . 1 1 123 123 PHE CB C 13 41.90 0.30 . 1 . . . A 438 PHE CB . 25048 1 621 . 1 1 123 123 PHE N N 15 130.10 0.40 . 1 . . . A 438 PHE N . 25048 1 622 . 1 1 124 124 ASN H H 1 7.61 0.04 . 1 . . . A 439 ASN H . 25048 1 623 . 1 1 124 124 ASN C C 13 172.65 0.30 . 1 . . . A 439 ASN C . 25048 1 624 . 1 1 124 124 ASN CA C 13 50.68 0.30 . 1 . . . A 439 ASN CA . 25048 1 625 . 1 1 124 124 ASN CB C 13 37.91 0.30 . 1 . . . A 439 ASN CB . 25048 1 626 . 1 1 124 124 ASN N N 15 125.96 0.40 . 1 . . . A 439 ASN N . 25048 1 627 . 1 1 125 125 GLU H H 1 8.87 0.04 . 1 . . . A 440 GLU H . 25048 1 628 . 1 1 125 125 GLU C C 13 175.54 0.30 . 1 . . . A 440 GLU C . 25048 1 629 . 1 1 125 125 GLU CA C 13 57.76 0.30 . 1 . . . A 440 GLU CA . 25048 1 630 . 1 1 125 125 GLU CB C 13 28.32 0.30 . 1 . . . A 440 GLU CB . 25048 1 631 . 1 1 125 125 GLU N N 15 125.77 0.40 . 1 . . . A 440 GLU N . 25048 1 632 . 1 1 126 126 GLU H H 1 8.17 0.04 . 1 . . . A 441 GLU H . 25048 1 633 . 1 1 126 126 GLU C C 13 175.52 0.30 . 1 . . . A 441 GLU C . 25048 1 634 . 1 1 126 126 GLU CA C 13 58.29 0.30 . 1 . . . A 441 GLU CA . 25048 1 635 . 1 1 126 126 GLU CB C 13 27.54 0.30 . 1 . . . A 441 GLU CB . 25048 1 636 . 1 1 126 126 GLU N N 15 119.29 0.40 . 1 . . . A 441 GLU N . 25048 1 637 . 1 1 127 127 LEU H H 1 7.24 0.04 . 1 . . . A 442 LEU H . 25048 1 638 . 1 1 127 127 LEU HD11 H 1 0.92 0.04 . 1 . . . A 442 LEU HD1 . 25048 1 639 . 1 1 127 127 LEU HD12 H 1 0.92 0.04 . 1 . . . A 442 LEU HD1 . 25048 1 640 . 1 1 127 127 LEU HD13 H 1 0.92 0.04 . 1 . . . A 442 LEU HD1 . 25048 1 641 . 1 1 127 127 LEU HD21 H 1 0.84 0.04 . 1 . . . A 442 LEU HD2 . 25048 1 642 . 1 1 127 127 LEU HD22 H 1 0.84 0.04 . 1 . . . A 442 LEU HD2 . 25048 1 643 . 1 1 127 127 LEU HD23 H 1 0.84 0.04 . 1 . . . A 442 LEU HD2 . 25048 1 644 . 1 1 127 127 LEU C C 13 173.76 0.30 . 1 . . . A 442 LEU C . 25048 1 645 . 1 1 127 127 LEU CA C 13 53.19 0.30 . 1 . . . A 442 LEU CA . 25048 1 646 . 1 1 127 127 LEU CB C 13 40.41 0.30 . 1 . . . A 442 LEU CB . 25048 1 647 . 1 1 127 127 LEU CD1 C 13 24.91 0.30 . 1 . . . A 442 LEU CD1 . 25048 1 648 . 1 1 127 127 LEU CD2 C 13 22.21 0.30 . 1 . . . A 442 LEU CD2 . 25048 1 649 . 1 1 127 127 LEU N N 15 117.23 0.40 . 1 . . . A 442 LEU N . 25048 1 650 . 1 1 128 128 ARG H H 1 7.64 0.04 . 1 . . . A 443 ARG H . 25048 1 651 . 1 1 128 128 ARG C C 13 172.31 0.30 . 1 . . . A 443 ARG C . 25048 1 652 . 1 1 128 128 ARG CA C 13 55.52 0.30 . 1 . . . A 443 ARG CA . 25048 1 653 . 1 1 128 128 ARG CB C 13 24.64 0.30 . 1 . . . A 443 ARG CB . 25048 1 654 . 1 1 128 128 ARG N N 15 115.94 0.40 . 1 . . . A 443 ARG N . 25048 1 655 . 1 1 129 129 ALA H H 1 6.94 0.04 . 1 . . . A 444 ALA H . 25048 1 656 . 1 1 129 129 ALA C C 13 173.97 0.30 . 1 . . . A 444 ALA C . 25048 1 657 . 1 1 129 129 ALA CA C 13 50.19 0.30 . 1 . . . A 444 ALA CA . 25048 1 658 . 1 1 129 129 ALA CB C 13 20.88 0.30 . 1 . . . A 444 ALA CB . 25048 1 659 . 1 1 129 129 ALA N N 15 118.71 0.40 . 1 . . . A 444 ALA N . 25048 1 660 . 1 1 130 130 VAL H H 1 8.19 0.04 . 1 . . . A 445 VAL H . 25048 1 661 . 1 1 130 130 VAL C C 13 172.77 0.30 . 1 . . . A 445 VAL C . 25048 1 662 . 1 1 130 130 VAL CA C 13 61.80 0.30 . 1 . . . A 445 VAL CA . 25048 1 663 . 1 1 130 130 VAL CB C 13 31.49 0.30 . 1 . . . A 445 VAL CB . 25048 1 664 . 1 1 130 130 VAL N N 15 124.05 0.40 . 1 . . . A 445 VAL N . 25048 1 665 . 1 1 131 131 ASP H H 1 8.26 0.04 . 1 . . . A 446 ASP H . 25048 1 666 . 1 1 131 131 ASP C C 13 174.23 0.30 . 1 . . . A 446 ASP C . 25048 1 667 . 1 1 131 131 ASP CA C 13 54.17 0.30 . 1 . . . A 446 ASP CA . 25048 1 668 . 1 1 131 131 ASP CB C 13 40.64 0.30 . 1 . . . A 446 ASP CB . 25048 1 669 . 1 1 131 131 ASP N N 15 128.65 0.40 . 1 . . . A 446 ASP N . 25048 1 670 . 1 1 132 132 SER H H 1 8.40 0.04 . 1 . . . A 447 SER H . 25048 1 671 . 1 1 132 132 SER CA C 13 59.65 0.30 . 1 . . . A 447 SER CA . 25048 1 672 . 1 1 132 132 SER CB C 13 62.22 0.30 . 1 . . . A 447 SER CB . 25048 1 673 . 1 1 132 132 SER N N 15 115.55 0.40 . 1 . . . A 447 SER N . 25048 1 674 . 1 1 133 133 GLU H H 1 8.69 0.04 . 1 . . . A 448 GLU H . 25048 1 675 . 1 1 133 133 GLU C C 13 171.32 0.30 . 1 . . . A 448 GLU C . 25048 1 676 . 1 1 133 133 GLU CA C 13 56.74 0.30 . 1 . . . A 448 GLU CA . 25048 1 677 . 1 1 133 133 GLU CB C 13 25.82 0.30 . 1 . . . A 448 GLU CB . 25048 1 678 . 1 1 133 133 GLU N N 15 116.07 0.40 . 1 . . . A 448 GLU N . 25048 1 679 . 1 1 134 134 TYR H H 1 7.45 0.04 . 1 . . . A 449 TYR H . 25048 1 680 . 1 1 134 134 TYR C C 13 170.40 0.30 . 1 . . . A 449 TYR C . 25048 1 681 . 1 1 134 134 TYR CA C 13 55.96 0.30 . 1 . . . A 449 TYR CA . 25048 1 682 . 1 1 134 134 TYR CB C 13 36.93 0.30 . 1 . . . A 449 TYR CB . 25048 1 683 . 1 1 134 134 TYR N N 15 116.07 0.40 . 1 . . . A 449 TYR N . 25048 1 684 . 1 1 136 136 LYS H H 1 7.61 0.04 . 1 . . . A 451 LYS H . 25048 1 685 . 1 1 136 136 LYS C C 13 171.49 0.30 . 1 . . . A 451 LYS C . 25048 1 686 . 1 1 136 136 LYS CA C 13 53.42 0.30 . 1 . . . A 451 LYS CA . 25048 1 687 . 1 1 136 136 LYS CB C 13 35.48 0.30 . 1 . . . A 451 LYS CB . 25048 1 688 . 1 1 136 136 LYS N N 15 118.50 0.40 . 1 . . . A 451 LYS N . 25048 1 689 . 1 1 137 137 ASN H H 1 8.48 0.04 . 1 . . . A 452 ASN H . 25048 1 690 . 1 1 137 137 ASN C C 13 173.91 0.30 . 1 . . . A 452 ASN C . 25048 1 691 . 1 1 137 137 ASN CA C 13 52.78 0.30 . 1 . . . A 452 ASN CA . 25048 1 692 . 1 1 137 137 ASN CB C 13 38.88 0.30 . 1 . . . A 452 ASN CB . 25048 1 693 . 1 1 137 137 ASN N N 15 120.06 0.40 . 1 . . . A 452 ASN N . 25048 1 694 . 1 1 138 138 ILE H H 1 8.39 0.04 . 1 . . . A 453 ILE H . 25048 1 695 . 1 1 138 138 ILE HD11 H 1 0.76 0.04 . 1 . . . A 453 ILE HD . 25048 1 696 . 1 1 138 138 ILE HD12 H 1 0.76 0.04 . 1 . . . A 453 ILE HD . 25048 1 697 . 1 1 138 138 ILE HD13 H 1 0.76 0.04 . 1 . . . A 453 ILE HD . 25048 1 698 . 1 1 138 138 ILE C C 13 173.17 0.30 . 1 . . . A 453 ILE C . 25048 1 699 . 1 1 138 138 ILE CA C 13 63.06 0.30 . 1 . . . A 453 ILE CA . 25048 1 700 . 1 1 138 138 ILE CB C 13 38.93 0.30 . 1 . . . A 453 ILE CB . 25048 1 701 . 1 1 138 138 ILE CD1 C 13 14.62 0.30 . 1 . . . A 453 ILE CD1 . 25048 1 702 . 1 1 138 138 ILE N N 15 124.00 0.40 . 1 . . . A 453 ILE N . 25048 1 703 . 1 1 139 139 LYS H H 1 8.69 0.04 . 1 . . . A 454 LYS H . 25048 1 704 . 1 1 139 139 LYS C C 13 174.40 0.30 . 1 . . . A 454 LYS C . 25048 1 705 . 1 1 139 139 LYS CA C 13 57.37 0.30 . 1 . . . A 454 LYS CA . 25048 1 706 . 1 1 139 139 LYS CB C 13 30.07 0.30 . 1 . . . A 454 LYS CB . 25048 1 707 . 1 1 139 139 LYS N N 15 123.47 0.40 . 1 . . . A 454 LYS N . 25048 1 708 . 1 1 140 140 VAL H H 1 7.44 0.04 . 1 . . . A 455 VAL H . 25048 1 709 . 1 1 140 140 VAL HG11 H 1 1.24 0.04 . 1 . . . A 455 VAL HG1 . 25048 1 710 . 1 1 140 140 VAL HG12 H 1 1.24 0.04 . 1 . . . A 455 VAL HG1 . 25048 1 711 . 1 1 140 140 VAL HG13 H 1 1.24 0.04 . 1 . . . A 455 VAL HG1 . 25048 1 712 . 1 1 140 140 VAL HG21 H 1 0.78 0.04 . 1 . . . A 455 VAL HG2 . 25048 1 713 . 1 1 140 140 VAL HG22 H 1 0.78 0.04 . 1 . . . A 455 VAL HG2 . 25048 1 714 . 1 1 140 140 VAL HG23 H 1 0.78 0.04 . 1 . . . A 455 VAL HG2 . 25048 1 715 . 1 1 140 140 VAL CA C 13 64.62 0.30 . 1 . . . A 455 VAL CA . 25048 1 716 . 1 1 140 140 VAL CB C 13 31.28 0.30 . 1 . . . A 455 VAL CB . 25048 1 717 . 1 1 140 140 VAL CG1 C 13 22.29 0.30 . 1 . . . A 455 VAL CG1 . 25048 1 718 . 1 1 140 140 VAL CG2 C 13 20.86 0.30 . 1 . . . A 455 VAL CG2 . 25048 1 719 . 1 1 140 140 VAL N N 15 118.87 0.40 . 1 . . . A 455 VAL N . 25048 1 720 . 1 1 143 143 GLY H H 1 8.57 0.04 . 1 . . . A 458 GLY H . 25048 1 721 . 1 1 143 143 GLY C C 13 171.66 0.30 . 1 . . . A 458 GLY C . 25048 1 722 . 1 1 143 143 GLY CA C 13 43.32 0.30 . 1 . . . A 458 GLY CA . 25048 1 723 . 1 1 143 143 GLY N N 15 113.44 0.40 . 1 . . . A 458 GLY N . 25048 1 724 . 1 1 144 144 ILE H H 1 7.92 0.04 . 1 . . . A 459 ILE H . 25048 1 725 . 1 1 144 144 ILE HD11 H 1 -0.25 0.04 . 1 . . . A 459 ILE HD . 25048 1 726 . 1 1 144 144 ILE HD12 H 1 -0.25 0.04 . 1 . . . A 459 ILE HD . 25048 1 727 . 1 1 144 144 ILE HD13 H 1 -0.25 0.04 . 1 . . . A 459 ILE HD . 25048 1 728 . 1 1 144 144 ILE C C 13 171.64 0.30 . 1 . . . A 459 ILE C . 25048 1 729 . 1 1 144 144 ILE CA C 13 50.85 0.30 . 1 . . . A 459 ILE CA . 25048 1 730 . 1 1 144 144 ILE CB C 13 40.94 0.30 . 1 . . . A 459 ILE CB . 25048 1 731 . 1 1 144 144 ILE CD1 C 13 12.16 0.30 . 1 . . . A 459 ILE CD1 . 25048 1 732 . 1 1 144 144 ILE N N 15 125.29 0.40 . 1 . . . A 459 ILE N . 25048 1 733 . 1 1 146 146 GLU H H 1 7.31 0.04 . 1 . . . A 461 GLU H . 25048 1 734 . 1 1 146 146 GLU C C 13 173.42 0.30 . 1 . . . A 461 GLU C . 25048 1 735 . 1 1 146 146 GLU CA C 13 54.49 0.30 . 1 . . . A 461 GLU CA . 25048 1 736 . 1 1 146 146 GLU CB C 13 28.31 0.30 . 1 . . . A 461 GLU CB . 25048 1 737 . 1 1 146 146 GLU N N 15 112.78 0.40 . 1 . . . A 461 GLU N . 25048 1 738 . 1 1 147 147 SER H H 1 8.43 0.04 . 1 . . . A 462 SER H . 25048 1 739 . 1 1 147 147 SER C C 13 173.44 0.30 . 1 . . . A 462 SER C . 25048 1 740 . 1 1 147 147 SER CA C 13 57.14 0.30 . 1 . . . A 462 SER CA . 25048 1 741 . 1 1 147 147 SER CB C 13 61.25 0.30 . 1 . . . A 462 SER CB . 25048 1 742 . 1 1 147 147 SER N N 15 112.08 0.40 . 1 . . . A 462 SER N . 25048 1 743 . 1 1 149 149 ARG H H 1 8.11 0.04 . 1 . . . A 464 ARG H . 25048 1 744 . 1 1 149 149 ARG C C 13 175.58 0.30 . 1 . . . A 464 ARG C . 25048 1 745 . 1 1 149 149 ARG CA C 13 53.89 0.30 . 1 . . . A 464 ARG CA . 25048 1 746 . 1 1 149 149 ARG CB C 13 30.16 0.30 . 1 . . . A 464 ARG CB . 25048 1 747 . 1 1 149 149 ARG N N 15 112.60 0.40 . 1 . . . A 464 ARG N . 25048 1 748 . 1 1 150 150 GLY H H 1 7.83 0.04 . 1 . . . A 465 GLY H . 25048 1 749 . 1 1 150 150 GLY C C 13 169.37 0.30 . 1 . . . A 465 GLY C . 25048 1 750 . 1 1 150 150 GLY CA C 13 44.46 0.30 . 1 . . . A 465 GLY CA . 25048 1 751 . 1 1 150 150 GLY N N 15 107.33 0.40 . 1 . . . A 465 GLY N . 25048 1 752 . 1 1 151 151 SER H H 1 9.37 0.04 . 1 . . . A 466 SER H . 25048 1 753 . 1 1 151 151 SER C C 13 170.80 0.30 . 1 . . . A 466 SER C . 25048 1 754 . 1 1 151 151 SER CA C 13 55.03 0.30 . 1 . . . A 466 SER CA . 25048 1 755 . 1 1 151 151 SER CB C 13 63.42 0.30 . 1 . . . A 466 SER CB . 25048 1 756 . 1 1 151 151 SER N N 15 118.47 0.40 . 1 . . . A 466 SER N . 25048 1 757 . 1 1 152 152 PHE H H 1 8.05 0.04 . 1 . . . A 467 PHE H . 25048 1 758 . 1 1 152 152 PHE C C 13 170.94 0.30 . 1 . . . A 467 PHE C . 25048 1 759 . 1 1 152 152 PHE CA C 13 54.91 0.30 . 1 . . . A 467 PHE CA . 25048 1 760 . 1 1 152 152 PHE CB C 13 38.56 0.30 . 1 . . . A 467 PHE CB . 25048 1 761 . 1 1 152 152 PHE N N 15 119.37 0.40 . 1 . . . A 467 PHE N . 25048 1 762 . 1 1 153 153 MET H H 1 9.29 0.04 . 1 . . . A 468 MET H . 25048 1 763 . 1 1 153 153 MET C C 13 174.34 0.30 . 1 . . . A 468 MET C . 25048 1 764 . 1 1 153 153 MET CA C 13 54.89 0.30 . 1 . . . A 468 MET CA . 25048 1 765 . 1 1 153 153 MET CB C 13 33.42 0.30 . 1 . . . A 468 MET CB . 25048 1 766 . 1 1 153 153 MET N N 15 121.00 0.40 . 1 . . . A 468 MET N . 25048 1 767 . 1 1 154 154 GLY H H 1 8.89 0.04 . 1 . . . A 469 GLY H . 25048 1 768 . 1 1 154 154 GLY C C 13 172.27 0.30 . 1 . . . A 469 GLY C . 25048 1 769 . 1 1 154 154 GLY CA C 13 44.08 0.30 . 1 . . . A 469 GLY CA . 25048 1 770 . 1 1 154 154 GLY N N 15 109.25 0.40 . 1 . . . A 469 GLY N . 25048 1 771 . 1 1 156 156 ASP H H 1 7.85 0.04 . 1 . . . A 471 ASP H . 25048 1 772 . 1 1 156 156 ASP C C 13 173.54 0.30 . 1 . . . A 471 ASP C . 25048 1 773 . 1 1 156 156 ASP CA C 13 52.33 0.30 . 1 . . . A 471 ASP CA . 25048 1 774 . 1 1 156 156 ASP CB C 13 40.22 0.30 . 1 . . . A 471 ASP CB . 25048 1 775 . 1 1 156 156 ASP N N 15 119.27 0.40 . 1 . . . A 471 ASP N . 25048 1 776 . 1 1 158 158 VAL H H 1 8.16 0.04 . 1 . . . A 473 VAL H . 25048 1 777 . 1 1 158 158 VAL HG11 H 1 0.09 0.04 . 1 . . . A 473 VAL HG1 . 25048 1 778 . 1 1 158 158 VAL HG12 H 1 0.09 0.04 . 1 . . . A 473 VAL HG1 . 25048 1 779 . 1 1 158 158 VAL HG13 H 1 0.09 0.04 . 1 . . . A 473 VAL HG1 . 25048 1 780 . 1 1 158 158 VAL HG21 H 1 0.75 0.04 . 1 . . . A 473 VAL HG2 . 25048 1 781 . 1 1 158 158 VAL HG22 H 1 0.75 0.04 . 1 . . . A 473 VAL HG2 . 25048 1 782 . 1 1 158 158 VAL HG23 H 1 0.75 0.04 . 1 . . . A 473 VAL HG2 . 25048 1 783 . 1 1 158 158 VAL C C 13 172.15 0.30 . 1 . . . A 473 VAL C . 25048 1 784 . 1 1 158 158 VAL CA C 13 64.39 0.30 . 1 . . . A 473 VAL CA . 25048 1 785 . 1 1 158 158 VAL CB C 13 30.34 0.30 . 1 . . . A 473 VAL CB . 25048 1 786 . 1 1 158 158 VAL CG1 C 13 20.90 0.30 . 1 . . . A 473 VAL CG1 . 25048 1 787 . 1 1 158 158 VAL CG2 C 13 22.32 0.30 . 1 . . . A 473 VAL CG2 . 25048 1 788 . 1 1 158 158 VAL N N 15 123.70 0.40 . 1 . . . A 473 VAL N . 25048 1 789 . 1 1 159 159 PHE H H 1 7.70 0.04 . 1 . . . A 474 PHE H . 25048 1 790 . 1 1 159 159 PHE C C 13 173.07 0.30 . 1 . . . A 474 PHE C . 25048 1 791 . 1 1 159 159 PHE CA C 13 55.17 0.30 . 1 . . . A 474 PHE CA . 25048 1 792 . 1 1 159 159 PHE CB C 13 41.09 0.30 . 1 . . . A 474 PHE CB . 25048 1 793 . 1 1 159 159 PHE N N 15 115.61 0.40 . 1 . . . A 474 PHE N . 25048 1 794 . 1 1 160 160 THR H H 1 9.23 0.04 . 1 . . . A 475 THR H . 25048 1 795 . 1 1 160 160 THR C C 13 169.60 0.30 . 1 . . . A 475 THR C . 25048 1 796 . 1 1 160 160 THR CA C 13 61.74 0.30 . 1 . . . A 475 THR CA . 25048 1 797 . 1 1 160 160 THR CB C 13 69.93 0.30 . 1 . . . A 475 THR CB . 25048 1 798 . 1 1 160 160 THR N N 15 119.16 0.40 . 1 . . . A 475 THR N . 25048 1 799 . 1 1 161 161 TYR H H 1 9.09 0.04 . 1 . . . A 476 TYR H . 25048 1 800 . 1 1 161 161 TYR C C 13 171.71 0.30 . 1 . . . A 476 TYR C . 25048 1 801 . 1 1 161 161 TYR CA C 13 55.92 0.30 . 1 . . . A 476 TYR CA . 25048 1 802 . 1 1 161 161 TYR CB C 13 39.57 0.30 . 1 . . . A 476 TYR CB . 25048 1 803 . 1 1 161 161 TYR N N 15 124.65 0.40 . 1 . . . A 476 TYR N . 25048 1 804 . 1 1 162 162 PHE H H 1 8.56 0.04 . 1 . . . A 477 PHE H . 25048 1 805 . 1 1 162 162 PHE C C 13 172.14 0.30 . 1 . . . A 477 PHE C . 25048 1 806 . 1 1 162 162 PHE CA C 13 55.44 0.30 . 1 . . . A 477 PHE CA . 25048 1 807 . 1 1 162 162 PHE CB C 13 41.91 0.30 . 1 . . . A 477 PHE CB . 25048 1 808 . 1 1 162 162 PHE N N 15 116.51 0.40 . 1 . . . A 477 PHE N . 25048 1 809 . 1 1 163 163 TYR H H 1 8.90 0.04 . 1 . . . A 478 TYR H . 25048 1 810 . 1 1 163 163 TYR C C 13 171.56 0.30 . 1 . . . A 478 TYR C . 25048 1 811 . 1 1 163 163 TYR CA C 13 55.64 0.30 . 1 . . . A 478 TYR CA . 25048 1 812 . 1 1 163 163 TYR CB C 13 41.64 0.30 . 1 . . . A 478 TYR CB . 25048 1 813 . 1 1 163 163 TYR N N 15 121.90 0.40 . 1 . . . A 478 TYR N . 25048 1 814 . 1 1 164 164 LYS H H 1 8.02 0.04 . 1 . . . A 479 LYS H . 25048 1 815 . 1 1 164 164 LYS C C 13 174.00 0.30 . 1 . . . A 479 LYS C . 25048 1 816 . 1 1 164 164 LYS CA C 13 57.78 0.30 . 1 . . . A 479 LYS CA . 25048 1 817 . 1 1 164 164 LYS CB C 13 34.96 0.30 . 1 . . . A 479 LYS CB . 25048 1 818 . 1 1 164 164 LYS N N 15 127.12 0.40 . 1 . . . A 479 LYS N . 25048 1 819 . 1 1 167 167 LYS H H 1 8.13 0.04 . 1 . . . A 482 LYS H . 25048 1 820 . 1 1 167 167 LYS C C 13 170.59 0.30 . 1 . . . A 482 LYS C . 25048 1 821 . 1 1 167 167 LYS CA C 13 54.31 0.30 . 1 . . . A 482 LYS CA . 25048 1 822 . 1 1 167 167 LYS CB C 13 35.71 0.30 . 1 . . . A 482 LYS CB . 25048 1 823 . 1 1 167 167 LYS N N 15 123.81 0.40 . 1 . . . A 482 LYS N . 25048 1 824 . 1 1 168 168 TYR H H 1 8.39 0.04 . 1 . . . A 483 TYR H . 25048 1 825 . 1 1 168 168 TYR C C 13 169.81 0.30 . 1 . . . A 483 TYR C . 25048 1 826 . 1 1 168 168 TYR CA C 13 54.79 0.30 . 1 . . . A 483 TYR CA . 25048 1 827 . 1 1 168 168 TYR CB C 13 41.92 0.30 . 1 . . . A 483 TYR CB . 25048 1 828 . 1 1 168 168 TYR N N 15 113.72 0.40 . 1 . . . A 483 TYR N . 25048 1 829 . 1 1 169 169 TRP H H 1 9.39 0.04 . 1 . . . A 484 TRP H . 25048 1 830 . 1 1 169 169 TRP C C 13 170.69 0.30 . 1 . . . A 484 TRP C . 25048 1 831 . 1 1 169 169 TRP CA C 13 57.99 0.30 . 1 . . . A 484 TRP CA . 25048 1 832 . 1 1 169 169 TRP CB C 13 33.89 0.30 . 1 . . . A 484 TRP CB . 25048 1 833 . 1 1 169 169 TRP N N 15 120.77 0.40 . 1 . . . A 484 TRP N . 25048 1 834 . 1 1 171 171 PHE H H 1 9.77 0.04 . 1 . . . A 486 PHE H . 25048 1 835 . 1 1 171 171 PHE C C 13 170.40 0.30 . 1 . . . A 486 PHE C . 25048 1 836 . 1 1 171 171 PHE CA C 13 57.12 0.30 . 1 . . . A 486 PHE CA . 25048 1 837 . 1 1 171 171 PHE CB C 13 40.99 0.30 . 1 . . . A 486 PHE CB . 25048 1 838 . 1 1 171 171 PHE N N 15 130.52 0.40 . 1 . . . A 486 PHE N . 25048 1 839 . 1 1 172 172 ASN H H 1 7.99 0.04 . 1 . . . A 487 ASN H . 25048 1 840 . 1 1 172 172 ASN C C 13 171.72 0.30 . 1 . . . A 487 ASN C . 25048 1 841 . 1 1 172 172 ASN CA C 13 51.96 0.30 . 1 . . . A 487 ASN CA . 25048 1 842 . 1 1 172 172 ASN CB C 13 38.33 0.30 . 1 . . . A 487 ASN CB . 25048 1 843 . 1 1 172 172 ASN N N 15 127.35 0.40 . 1 . . . A 487 ASN N . 25048 1 844 . 1 1 173 173 ASN H H 1 8.79 0.04 . 1 . . . A 488 ASN H . 25048 1 845 . 1 1 173 173 ASN C C 13 172.67 0.30 . 1 . . . A 488 ASN C . 25048 1 846 . 1 1 173 173 ASN CA C 13 54.58 0.30 . 1 . . . A 488 ASN CA . 25048 1 847 . 1 1 173 173 ASN CB C 13 37.51 0.30 . 1 . . . A 488 ASN CB . 25048 1 848 . 1 1 173 173 ASN N N 15 125.31 0.40 . 1 . . . A 488 ASN N . 25048 1 849 . 1 1 174 174 GLN H H 1 8.35 0.04 . 1 . . . A 489 GLN H . 25048 1 850 . 1 1 174 174 GLN C C 13 174.93 0.30 . 1 . . . A 489 GLN C . 25048 1 851 . 1 1 174 174 GLN CA C 13 56.59 0.30 . 1 . . . A 489 GLN CA . 25048 1 852 . 1 1 174 174 GLN CB C 13 26.95 0.30 . 1 . . . A 489 GLN CB . 25048 1 853 . 1 1 174 174 GLN N N 15 118.25 0.40 . 1 . . . A 489 GLN N . 25048 1 854 . 1 1 175 175 LYS H H 1 7.40 0.04 . 1 . . . A 490 LYS H . 25048 1 855 . 1 1 175 175 LYS C C 13 172.56 0.30 . 1 . . . A 490 LYS C . 25048 1 856 . 1 1 175 175 LYS CA C 13 55.20 0.30 . 1 . . . A 490 LYS CA . 25048 1 857 . 1 1 175 175 LYS CB C 13 32.19 0.30 . 1 . . . A 490 LYS CB . 25048 1 858 . 1 1 175 175 LYS N N 15 117.08 0.40 . 1 . . . A 490 LYS N . 25048 1 859 . 1 1 176 176 LEU H H 1 7.72 0.04 . 1 . . . A 491 LEU H . 25048 1 860 . 1 1 176 176 LEU HD11 H 1 0.74 0.04 . 1 . . . A 491 LEU HD1 . 25048 1 861 . 1 1 176 176 LEU HD12 H 1 0.74 0.04 . 1 . . . A 491 LEU HD1 . 25048 1 862 . 1 1 176 176 LEU HD13 H 1 0.74 0.04 . 1 . . . A 491 LEU HD1 . 25048 1 863 . 1 1 176 176 LEU C C 13 172.10 0.30 . 1 . . . A 491 LEU C . 25048 1 864 . 1 1 176 176 LEU CA C 13 54.41 0.30 . 1 . . . A 491 LEU CA . 25048 1 865 . 1 1 176 176 LEU CB C 13 36.11 0.30 . 1 . . . A 491 LEU CB . 25048 1 866 . 1 1 176 176 LEU CD1 C 13 23.18 0.30 . 1 . . . A 491 LEU CD1 . 25048 1 867 . 1 1 176 176 LEU N N 15 116.33 0.40 . 1 . . . A 491 LEU N . 25048 1 868 . 1 1 177 177 LYS H H 1 6.28 0.04 . 1 . . . A 492 LYS H . 25048 1 869 . 1 1 177 177 LYS C C 13 174.00 0.30 . 1 . . . A 492 LYS C . 25048 1 870 . 1 1 177 177 LYS CA C 13 53.92 0.30 . 1 . . . A 492 LYS CA . 25048 1 871 . 1 1 177 177 LYS CB C 13 35.05 0.30 . 1 . . . A 492 LYS CB . 25048 1 872 . 1 1 177 177 LYS N N 15 112.21 0.40 . 1 . . . A 492 LYS N . 25048 1 873 . 1 1 178 178 VAL H H 1 8.14 0.04 . 1 . . . A 493 VAL H . 25048 1 874 . 1 1 178 178 VAL HG11 H 1 1.41 0.04 . 1 . . . A 493 VAL HG1 . 25048 1 875 . 1 1 178 178 VAL HG12 H 1 1.41 0.04 . 1 . . . A 493 VAL HG1 . 25048 1 876 . 1 1 178 178 VAL HG13 H 1 1.41 0.04 . 1 . . . A 493 VAL HG1 . 25048 1 877 . 1 1 178 178 VAL HG21 H 1 1.43 0.04 . 1 . . . A 493 VAL HG2 . 25048 1 878 . 1 1 178 178 VAL HG22 H 1 1.43 0.04 . 1 . . . A 493 VAL HG2 . 25048 1 879 . 1 1 178 178 VAL HG23 H 1 1.43 0.04 . 1 . . . A 493 VAL HG2 . 25048 1 880 . 1 1 178 178 VAL C C 13 172.77 0.30 . 1 . . . A 493 VAL C . 25048 1 881 . 1 1 178 178 VAL CA C 13 62.62 0.30 . 1 . . . A 493 VAL CA . 25048 1 882 . 1 1 178 178 VAL CB C 13 31.04 0.30 . 1 . . . A 493 VAL CB . 25048 1 883 . 1 1 178 178 VAL CG1 C 13 24.50 0.30 . 1 . . . A 493 VAL CG1 . 25048 1 884 . 1 1 178 178 VAL CG2 C 13 22.72 0.30 . 1 . . . A 493 VAL CG2 . 25048 1 885 . 1 1 178 178 VAL N N 15 124.29 0.40 . 1 . . . A 493 VAL N . 25048 1 886 . 1 1 179 179 GLU H H 1 8.20 0.04 . 1 . . . A 494 GLU H . 25048 1 887 . 1 1 179 179 GLU C C 13 171.24 0.30 . 1 . . . A 494 GLU C . 25048 1 888 . 1 1 179 179 GLU CA C 13 53.90 0.30 . 1 . . . A 494 GLU CA . 25048 1 889 . 1 1 179 179 GLU CB C 13 29.46 0.30 . 1 . . . A 494 GLU CB . 25048 1 890 . 1 1 179 179 GLU N N 15 127.40 0.40 . 1 . . . A 494 GLU N . 25048 1 891 . 1 1 181 181 GLY H H 1 8.38 0.04 . 1 . . . A 496 GLY H . 25048 1 892 . 1 1 181 181 GLY C C 13 170.34 0.30 . 1 . . . A 496 GLY C . 25048 1 893 . 1 1 181 181 GLY CA C 13 43.79 0.30 . 1 . . . A 496 GLY CA . 25048 1 894 . 1 1 181 181 GLY N N 15 110.17 0.40 . 1 . . . A 496 GLY N . 25048 1 895 . 1 1 182 182 TYR H H 1 7.10 0.04 . 1 . . . A 497 TYR H . 25048 1 896 . 1 1 182 182 TYR C C 13 170.68 0.30 . 1 . . . A 497 TYR C . 25048 1 897 . 1 1 182 182 TYR CA C 13 55.88 0.30 . 1 . . . A 497 TYR CA . 25048 1 898 . 1 1 182 182 TYR CB C 13 37.07 0.30 . 1 . . . A 497 TYR CB . 25048 1 899 . 1 1 182 182 TYR N N 15 116.70 0.40 . 1 . . . A 497 TYR N . 25048 1 900 . 1 1 184 184 LYS H H 1 7.32 0.04 . 1 . . . A 499 LYS H . 25048 1 901 . 1 1 184 184 LYS C C 13 172.16 0.30 . 1 . . . A 499 LYS C . 25048 1 902 . 1 1 184 184 LYS CA C 13 53.45 0.30 . 1 . . . A 499 LYS CA . 25048 1 903 . 1 1 184 184 LYS CB C 13 35.36 0.30 . 1 . . . A 499 LYS CB . 25048 1 904 . 1 1 184 184 LYS N N 15 118.55 0.40 . 1 . . . A 499 LYS N . 25048 1 905 . 1 1 186 186 ALA H H 1 8.91 0.04 . 1 . . . A 501 ALA H . 25048 1 906 . 1 1 186 186 ALA C C 13 176.62 0.30 . 1 . . . A 501 ALA C . 25048 1 907 . 1 1 186 186 ALA CA C 13 52.77 0.30 . 1 . . . A 501 ALA CA . 25048 1 908 . 1 1 186 186 ALA CB C 13 16.73 0.30 . 1 . . . A 501 ALA CB . 25048 1 909 . 1 1 186 186 ALA N N 15 132.31 0.40 . 1 . . . A 501 ALA N . 25048 1 910 . 1 1 187 187 LEU H H 1 7.09 0.04 . 1 . . . A 502 LEU H . 25048 1 911 . 1 1 187 187 LEU HD21 H 1 0.93 0.04 . 1 . . . A 502 LEU HD2 . 25048 1 912 . 1 1 187 187 LEU HD22 H 1 0.93 0.04 . 1 . . . A 502 LEU HD2 . 25048 1 913 . 1 1 187 187 LEU HD23 H 1 0.93 0.04 . 1 . . . A 502 LEU HD2 . 25048 1 914 . 1 1 187 187 LEU C C 13 174.59 0.30 . 1 . . . A 502 LEU C . 25048 1 915 . 1 1 187 187 LEU CA C 13 56.52 0.30 . 1 . . . A 502 LEU CA . 25048 1 916 . 1 1 187 187 LEU CB C 13 38.50 0.30 . 1 . . . A 502 LEU CB . 25048 1 917 . 1 1 187 187 LEU CD2 C 13 23.58 0.30 . 1 . . . A 502 LEU CD2 . 25048 1 918 . 1 1 187 187 LEU N N 15 116.37 0.40 . 1 . . . A 502 LEU N . 25048 1 919 . 1 1 188 188 ARG H H 1 7.33 0.04 . 1 . . . A 503 ARG H . 25048 1 920 . 1 1 188 188 ARG C C 13 175.44 0.30 . 1 . . . A 503 ARG C . 25048 1 921 . 1 1 188 188 ARG CA C 13 56.35 0.30 . 1 . . . A 503 ARG CA . 25048 1 922 . 1 1 188 188 ARG CB C 13 29.27 0.30 . 1 . . . A 503 ARG CB . 25048 1 923 . 1 1 188 188 ARG N N 15 117.39 0.40 . 1 . . . A 503 ARG N . 25048 1 924 . 1 1 189 189 ASP H H 1 7.15 0.04 . 1 . . . A 504 ASP H . 25048 1 925 . 1 1 189 189 ASP C C 13 174.19 0.30 . 1 . . . A 504 ASP C . 25048 1 926 . 1 1 189 189 ASP CA C 13 55.03 0.30 . 1 . . . A 504 ASP CA . 25048 1 927 . 1 1 189 189 ASP CB C 13 38.49 0.30 . 1 . . . A 504 ASP CB . 25048 1 928 . 1 1 189 189 ASP N N 15 115.00 0.40 . 1 . . . A 504 ASP N . 25048 1 929 . 1 1 190 190 TRP H H 1 7.62 0.04 . 1 . . . A 505 TRP H . 25048 1 930 . 1 1 190 190 TRP C C 13 174.20 0.30 . 1 . . . A 505 TRP C . 25048 1 931 . 1 1 190 190 TRP CA C 13 53.97 0.30 . 1 . . . A 505 TRP CA . 25048 1 932 . 1 1 190 190 TRP CB C 13 29.67 0.30 . 1 . . . A 505 TRP CB . 25048 1 933 . 1 1 190 190 TRP N N 15 116.27 0.40 . 1 . . . A 505 TRP N . 25048 1 934 . 1 1 191 191 MET H H 1 6.43 0.04 . 1 . . . A 506 MET H . 25048 1 935 . 1 1 191 191 MET C C 13 172.98 0.30 . 1 . . . A 506 MET C . 25048 1 936 . 1 1 191 191 MET CA C 13 52.64 0.30 . 1 . . . A 506 MET CA . 25048 1 937 . 1 1 191 191 MET CB C 13 29.63 0.30 . 1 . . . A 506 MET CB . 25048 1 938 . 1 1 191 191 MET N N 15 109.46 0.40 . 1 . . . A 506 MET N . 25048 1 939 . 1 1 192 192 GLY H H 1 7.87 0.04 . 1 . . . A 507 GLY H . 25048 1 940 . 1 1 192 192 GLY C C 13 173.36 0.30 . 1 . . . A 507 GLY C . 25048 1 941 . 1 1 192 192 GLY CA C 13 45.63 0.30 . 1 . . . A 507 GLY CA . 25048 1 942 . 1 1 192 192 GLY N N 15 106.19 0.40 . 1 . . . A 507 GLY N . 25048 1 943 . 1 1 193 193 CYS H H 1 7.79 0.04 . 1 . . . A 508 CYS H . 25048 1 944 . 1 1 193 193 CYS C C 13 170.15 0.30 . 1 . . . A 508 CYS C . 25048 1 945 . 1 1 193 193 CYS CA C 13 53.99 0.30 . 1 . . . A 508 CYS CA . 25048 1 946 . 1 1 193 193 CYS CB C 13 39.27 0.30 . 1 . . . A 508 CYS CB . 25048 1 947 . 1 1 193 193 CYS N N 15 119.50 0.40 . 1 . . . A 508 CYS N . 25048 1 948 . 1 1 196 196 GLY H H 1 6.82 0.04 . 1 . . . A 511 GLY H . 25048 1 949 . 1 1 196 196 GLY CA C 13 42.27 0.30 . 1 . . . A 511 GLY CA . 25048 1 950 . 1 1 196 196 GLY N N 15 120.40 0.40 . 1 . . . A 511 GLY N . 25048 1 stop_ save_