data_18002 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18002 _Entry.Title ; Structural Basis of Phosphoinositide Binding to Kindlin-2 Pleckstrin Homology Domain in Regulating Integrin Activation ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-10-17 _Entry.Accession_date 2011-10-17 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 Jianmin Liu . . . 18002 2 Koichi Fukuda . . . 18002 3 Zhen Xu . . . 18002 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' . 18002 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID kindlin . 18002 'Pleckstrin Homology Domain' . 18002 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18002 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 377 18002 '15N chemical shifts' 129 18002 '1H chemical shifts' 669 18002 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-02-15 2011-10-17 update BMRB 'update entry citation' 18002 1 . . 2011-11-21 2011-10-17 original author 'original release' 18002 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LKO 'BMRB Entry Tracking System' 18002 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18002 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22030399 _Citation.Full_citation . _Citation.Title 'Structural basis of phosphoinositide binding to kindlin-2 protein pleckstrin homology domain in regulating integrin activation.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 286 _Citation.Journal_issue 50 _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 43334 _Citation.Page_last 43342 _Citation.Year 2011 _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 Jianmin Liu . . . 18002 1 2 Koichi Fukuda . . . 18002 1 3 Zhen Xu . . . 18002 1 4 Yan-Qing Ma . . . 18002 1 5 Jamila Hirbawi . . . 18002 1 6 Xian Mao . . . 18002 1 7 Chuanyue Wu . . . 18002 1 8 Edward Plow . F. . 18002 1 9 Jun Qin . . . 18002 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18002 _Assembly.ID 1 _Assembly.Name Kindlin-2 _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 Kindlin-2 1 $Kindlin-2 A . yes native no no . . . 18002 1 2 4IP 2 $4IP B . yes native no no . . . 18002 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Kindlin-2 _Entity.Sf_category entity _Entity.Sf_framecode Kindlin-2 _Entity.Entry_ID 18002 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Kindlin-2 _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 ; GSHMGDITSIPELADYIKVF KPKKLTLKGYKQYWCTFKDT SISCYKSKEESSGTPAHQMN LRGCEVTPDVNISGQKFNIK LLIPVAEGMNEIWLRCDNEK QYAHWMAACRLASKGKTMAD SSYNLEVQNILSFLKMQH ; _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 138 _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 15722.256 _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 2LKO . "Structural Basis Of Phosphoinositide Binding To Kindlin-2 Pleckstrin Homology Domain In Regulating Integrin Activation" . . . . . 100.00 138 100.00 100.00 9.94e-99 . . . . 18002 1 2 no PDB 4F7H . "The Crystal Structure Of Kindlin-2 Pleckstrin Homology Domain In Free Form" . . . . . 97.10 173 99.25 100.00 5.46e-95 . . . . 18002 1 3 no DBJ BAE38850 . "unnamed protein product [Mus musculus]" . . . . . 97.83 680 97.78 100.00 6.79e-89 . . . . 18002 1 4 no DBJ BAF84427 . "unnamed protein product [Homo sapiens]" . . . . . 97.83 680 99.26 100.00 1.22e-89 . . . . 18002 1 5 no EMBL CAA80852 . "mitogen inducible gene mig-2 [Homo sapiens]" . . . . . 97.83 720 99.26 100.00 3.53e-89 . . . . 18002 1 6 no EMBL CAD61925 . "unnamed protein product [Homo sapiens]" . . . . . 97.83 633 99.26 100.00 3.19e-90 . . . . 18002 1 7 no GB AAH17327 . "Fermitin family homolog 2 (Drosophila) [Homo sapiens]" . . . . . 97.83 680 99.26 100.00 1.08e-89 . . . . 18002 1 8 no GB AAH33436 . "Fermitin family homolog 2 (Drosophila) [Mus musculus]" . . . . . 97.83 680 97.78 100.00 6.79e-89 . . . . 18002 1 9 no GB AAH83876 . "Fermitin family homolog 2 (Drosophila) [Rattus norvegicus]" . . . . . 97.83 680 97.78 100.00 4.79e-89 . . . . 18002 1 10 no GB AAI51293 . "FERMT2 protein [Bos taurus]" . . . . . 97.83 680 99.26 100.00 1.08e-89 . . . . 18002 1 11 no GB AAN75823 . "mitogen inducible 2 [Homo sapiens]" . . . . . 97.83 680 99.26 100.00 1.08e-89 . . . . 18002 1 12 no REF NP_001011915 . "fermitin family homolog 2 [Rattus norvegicus]" . . . . . 97.83 680 97.78 100.00 4.79e-89 . . . . 18002 1 13 no REF NP_001094734 . "fermitin family homolog 2 [Bos taurus]" . . . . . 97.83 680 99.26 100.00 1.08e-89 . . . . 18002 1 14 no REF NP_001128471 . "fermitin family homolog 2 isoform 2 [Homo sapiens]" . . . . . 97.83 687 99.26 100.00 1.37e-89 . . . . 18002 1 15 no REF NP_001128472 . "fermitin family homolog 2 isoform 3 [Homo sapiens]" . . . . . 97.83 633 99.26 100.00 3.19e-90 . . . . 18002 1 16 no REF NP_001253248 . "fermitin family homolog 2 [Macaca mulatta]" . . . . . 97.83 680 99.26 100.00 1.08e-89 . . . . 18002 1 17 no SP Q8CIB5 . "RecName: Full=Fermitin family homolog 2; AltName: Full=Kindlin-2; AltName: Full=Pleckstrin homology domain-containing family C " . . . . . 97.83 680 97.78 100.00 6.79e-89 . . . . 18002 1 18 no SP Q96AC1 . "RecName: Full=Fermitin family homolog 2; AltName: Full=Kindlin-2; AltName: Full=Mitogen-inducible gene 2 protein; Short=MIG-2; " . . . . . 97.83 680 99.26 100.00 1.08e-89 . . . . 18002 1 19 no TPG DAA25234 . "TPA: fermitin family homolog 2 [Bos taurus]" . . . . . 97.83 680 99.26 100.00 1.08e-89 . . . . 18002 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 1 363 GLY . 18002 1 2 364 SER . 18002 1 3 365 HIS . 18002 1 4 366 MET . 18002 1 5 367 GLY . 18002 1 6 368 ASP . 18002 1 7 369 ILE . 18002 1 8 370 THR . 18002 1 9 371 SER . 18002 1 10 372 ILE . 18002 1 11 373 PRO . 18002 1 12 374 GLU . 18002 1 13 375 LEU . 18002 1 14 376 ALA . 18002 1 15 377 ASP . 18002 1 16 378 TYR . 18002 1 17 379 ILE . 18002 1 18 380 LYS . 18002 1 19 381 VAL . 18002 1 20 382 PHE . 18002 1 21 383 LYS . 18002 1 22 384 PRO . 18002 1 23 385 LYS . 18002 1 24 386 LYS . 18002 1 25 387 LEU . 18002 1 26 388 THR . 18002 1 27 389 LEU . 18002 1 28 390 LYS . 18002 1 29 391 GLY . 18002 1 30 392 TYR . 18002 1 31 393 LYS . 18002 1 32 394 GLN . 18002 1 33 395 TYR . 18002 1 34 396 TRP . 18002 1 35 397 CYS . 18002 1 36 398 THR . 18002 1 37 399 PHE . 18002 1 38 400 LYS . 18002 1 39 401 ASP . 18002 1 40 402 THR . 18002 1 41 403 SER . 18002 1 42 404 ILE . 18002 1 43 405 SER . 18002 1 44 406 CYS . 18002 1 45 407 TYR . 18002 1 46 408 LYS . 18002 1 47 409 SER . 18002 1 48 410 LYS . 18002 1 49 411 GLU . 18002 1 50 412 GLU . 18002 1 51 413 SER . 18002 1 52 414 SER . 18002 1 53 415 GLY . 18002 1 54 416 THR . 18002 1 55 417 PRO . 18002 1 56 418 ALA . 18002 1 57 419 HIS . 18002 1 58 420 GLN . 18002 1 59 421 MET . 18002 1 60 422 ASN . 18002 1 61 423 LEU . 18002 1 62 424 ARG . 18002 1 63 425 GLY . 18002 1 64 426 CYS . 18002 1 65 427 GLU . 18002 1 66 428 VAL . 18002 1 67 429 THR . 18002 1 68 430 PRO . 18002 1 69 431 ASP . 18002 1 70 432 VAL . 18002 1 71 433 ASN . 18002 1 72 434 ILE . 18002 1 73 435 SER . 18002 1 74 436 GLY . 18002 1 75 437 GLN . 18002 1 76 438 LYS . 18002 1 77 439 PHE . 18002 1 78 440 ASN . 18002 1 79 441 ILE . 18002 1 80 442 LYS . 18002 1 81 443 LEU . 18002 1 82 444 LEU . 18002 1 83 445 ILE . 18002 1 84 446 PRO . 18002 1 85 447 VAL . 18002 1 86 448 ALA . 18002 1 87 449 GLU . 18002 1 88 450 GLY . 18002 1 89 451 MET . 18002 1 90 452 ASN . 18002 1 91 453 GLU . 18002 1 92 454 ILE . 18002 1 93 455 TRP . 18002 1 94 456 LEU . 18002 1 95 457 ARG . 18002 1 96 458 CYS . 18002 1 97 459 ASP . 18002 1 98 460 ASN . 18002 1 99 461 GLU . 18002 1 100 462 LYS . 18002 1 101 463 GLN . 18002 1 102 464 TYR . 18002 1 103 465 ALA . 18002 1 104 466 HIS . 18002 1 105 467 TRP . 18002 1 106 468 MET . 18002 1 107 469 ALA . 18002 1 108 470 ALA . 18002 1 109 471 CYS . 18002 1 110 472 ARG . 18002 1 111 473 LEU . 18002 1 112 474 ALA . 18002 1 113 475 SER . 18002 1 114 476 LYS . 18002 1 115 477 GLY . 18002 1 116 478 LYS . 18002 1 117 479 THR . 18002 1 118 480 MET . 18002 1 119 481 ALA . 18002 1 120 482 ASP . 18002 1 121 483 SER . 18002 1 122 484 SER . 18002 1 123 485 TYR . 18002 1 124 486 ASN . 18002 1 125 487 LEU . 18002 1 126 488 GLU . 18002 1 127 489 VAL . 18002 1 128 490 GLN . 18002 1 129 491 ASN . 18002 1 130 492 ILE . 18002 1 131 493 LEU . 18002 1 132 494 SER . 18002 1 133 495 PHE . 18002 1 134 496 LEU . 18002 1 135 497 LYS . 18002 1 136 498 MET . 18002 1 137 499 GLN . 18002 1 138 500 HIS . 18002 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 18002 1 . SER 2 2 18002 1 . HIS 3 3 18002 1 . MET 4 4 18002 1 . GLY 5 5 18002 1 . ASP 6 6 18002 1 . ILE 7 7 18002 1 . THR 8 8 18002 1 . SER 9 9 18002 1 . ILE 10 10 18002 1 . PRO 11 11 18002 1 . GLU 12 12 18002 1 . LEU 13 13 18002 1 . ALA 14 14 18002 1 . ASP 15 15 18002 1 . TYR 16 16 18002 1 . ILE 17 17 18002 1 . LYS 18 18 18002 1 . VAL 19 19 18002 1 . PHE 20 20 18002 1 . LYS 21 21 18002 1 . PRO 22 22 18002 1 . LYS 23 23 18002 1 . LYS 24 24 18002 1 . LEU 25 25 18002 1 . THR 26 26 18002 1 . LEU 27 27 18002 1 . LYS 28 28 18002 1 . GLY 29 29 18002 1 . TYR 30 30 18002 1 . LYS 31 31 18002 1 . GLN 32 32 18002 1 . TYR 33 33 18002 1 . TRP 34 34 18002 1 . CYS 35 35 18002 1 . THR 36 36 18002 1 . PHE 37 37 18002 1 . LYS 38 38 18002 1 . ASP 39 39 18002 1 . THR 40 40 18002 1 . SER 41 41 18002 1 . ILE 42 42 18002 1 . SER 43 43 18002 1 . CYS 44 44 18002 1 . TYR 45 45 18002 1 . LYS 46 46 18002 1 . SER 47 47 18002 1 . LYS 48 48 18002 1 . GLU 49 49 18002 1 . GLU 50 50 18002 1 . SER 51 51 18002 1 . SER 52 52 18002 1 . GLY 53 53 18002 1 . THR 54 54 18002 1 . PRO 55 55 18002 1 . ALA 56 56 18002 1 . HIS 57 57 18002 1 . GLN 58 58 18002 1 . MET 59 59 18002 1 . ASN 60 60 18002 1 . LEU 61 61 18002 1 . ARG 62 62 18002 1 . GLY 63 63 18002 1 . CYS 64 64 18002 1 . GLU 65 65 18002 1 . VAL 66 66 18002 1 . THR 67 67 18002 1 . PRO 68 68 18002 1 . ASP 69 69 18002 1 . VAL 70 70 18002 1 . ASN 71 71 18002 1 . ILE 72 72 18002 1 . SER 73 73 18002 1 . GLY 74 74 18002 1 . GLN 75 75 18002 1 . LYS 76 76 18002 1 . PHE 77 77 18002 1 . ASN 78 78 18002 1 . ILE 79 79 18002 1 . LYS 80 80 18002 1 . LEU 81 81 18002 1 . LEU 82 82 18002 1 . ILE 83 83 18002 1 . PRO 84 84 18002 1 . VAL 85 85 18002 1 . ALA 86 86 18002 1 . GLU 87 87 18002 1 . GLY 88 88 18002 1 . MET 89 89 18002 1 . ASN 90 90 18002 1 . GLU 91 91 18002 1 . ILE 92 92 18002 1 . TRP 93 93 18002 1 . LEU 94 94 18002 1 . ARG 95 95 18002 1 . CYS 96 96 18002 1 . ASP 97 97 18002 1 . ASN 98 98 18002 1 . GLU 99 99 18002 1 . LYS 100 100 18002 1 . GLN 101 101 18002 1 . TYR 102 102 18002 1 . ALA 103 103 18002 1 . HIS 104 104 18002 1 . TRP 105 105 18002 1 . MET 106 106 18002 1 . ALA 107 107 18002 1 . ALA 108 108 18002 1 . CYS 109 109 18002 1 . ARG 110 110 18002 1 . LEU 111 111 18002 1 . ALA 112 112 18002 1 . SER 113 113 18002 1 . LYS 114 114 18002 1 . GLY 115 115 18002 1 . LYS 116 116 18002 1 . THR 117 117 18002 1 . MET 118 118 18002 1 . ALA 119 119 18002 1 . ASP 120 120 18002 1 . SER 121 121 18002 1 . SER 122 122 18002 1 . TYR 123 123 18002 1 . ASN 124 124 18002 1 . LEU 125 125 18002 1 . GLU 126 126 18002 1 . VAL 127 127 18002 1 . GLN 128 128 18002 1 . ASN 129 129 18002 1 . ILE 130 130 18002 1 . LEU 131 131 18002 1 . SER 132 132 18002 1 . PHE 133 133 18002 1 . LEU 134 134 18002 1 . LYS 135 135 18002 1 . MET 136 136 18002 1 . GLN 137 137 18002 1 . HIS 138 138 18002 1 stop_ save_ save_4IP _Entity.Sf_category entity _Entity.Sf_framecode 4IP _Entity.Entry_ID 18002 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 4IP _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 no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID 4IP _Entity.Nonpolymer_comp_label $chem_comp_4IP _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . 4IP . 18002 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 18002 _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 $Kindlin-2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18002 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 18002 _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 $Kindlin-2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET15b . . . . . . 18002 1 2 2 $4IP . 'obtained from a vendor' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 18002 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_4IP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_4IP _Chem_comp.Entry_ID 18002 _Chem_comp.ID 4IP _Chem_comp.Provenance . _Chem_comp.Name INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code 4IP _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces ITS _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code 4IP _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C6 H16 O18 P4' _Chem_comp.Formula_weight 500.075 _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 . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1FGY _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Oct 20 15:55:33 2011 ; _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 C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)O SMILES 'OpenEye OEToolkits' 1.5.0 18002 4IP [C@@H]1(C([C@@H]([C@H](C([C@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 18002 4IP CIPFCGZLFXVXBG-CNWJWELYSA-N InChIKey InChI 1.03 18002 4IP InChI=1S/C6H16O18P4/c7-1-3(21-25(9,10)11)2(8)5(23-27(15,16)17)6(24-28(18,19)20)4(1)22-26(12,13)14/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2-,3-,4+,5-,6-/m0/s1 InChI InChI 1.03 18002 4IP O[C@H]1[C@@H](O[P](O)(O)=O)[C@H](O)[C@@H](O[P](O)(O)=O)[C@H](O[P](O)(O)=O)[C@H]1O[P](O)(O)=O SMILES_CANONICAL CACTVS 3.341 18002 4IP O[CH]1[CH](O[P](O)(O)=O)[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O SMILES CACTVS 3.341 18002 4IP O=P(OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C(O)C1OP(=O)(O)O)(O)O SMILES ACDLabs 10.04 18002 4IP 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 '(1R,2S,3S,4S,5S,6S)-4,6-dihydroxycyclohexane-1,2,3,5-tetrayl tetrakis[dihydrogen (phosphate)]' 'SYSTEMATIC NAME' ACDLabs 10.04 18002 4IP '[(2S,3S,5R,6S)-2,6-dihydroxy-3,4,5-triphosphonooxy-cyclohexyl] dihydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 18002 4IP stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1 . C1 . . C . . N 0 . . . . no no . . . . 11.699 . 37.586 . 7.957 . -0.199 -0.438 1.889 1 . 18002 4IP O1 . O1 . . O . . N 0 . . . . no no . . . . 10.905 . 38.413 . 8.779 . -0.312 -1.265 3.049 2 . 18002 4IP C2 . C2 . . C . . S 0 . . . . no no . . . . 12.782 . 36.981 . 8.838 . -1.377 -0.710 0.952 3 . 18002 4IP O2 . O2 . . O . . N 0 . . . . no no . . . . 13.542 . 38.029 . 9.445 . -1.366 -2.084 0.560 4 . 18002 4IP C3 . C3 . . C . . S 0 . . . . no no . . . . 13.680 . 36.083 . 8.008 . -1.256 0.174 -0.289 5 . 18002 4IP O3 . O3 . . O . . N 0 . . . . no no . . . . 14.703 . 35.541 . 8.835 . -2.357 -0.079 -1.165 6 . 18002 4IP C4 . C4 . . C . . N 0 . . . . no no . . . . 14.314 . 36.874 . 6.883 . 0.054 -0.138 -1.013 7 . 18002 4IP O4 . O4 . . O . . N 0 . . . . no no . . . . 15.136 . 35.981 . 6.122 . 0.065 -1.512 -1.405 8 . 18002 4IP C5 . C5 . . C . . R 0 . . . . no no . . . . 13.253 . 37.494 . 5.982 . 1.232 0.133 -0.076 9 . 18002 4IP O5 . O5 . . O . . N 0 . . . . no no . . . . 13.945 . 38.265 . 4.982 . 2.456 -0.159 -0.752 10 . 18002 4IP C6 . C6 . . C . . S 0 . . . . no no . . . . 12.320 . 38.394 . 6.805 . 1.111 -0.752 1.165 11 . 18002 4IP O6 . O6 . . O . . N 0 . . . . no no . . . . 11.188 . 38.738 . 5.997 . 2.211 -0.497 2.041 12 . 18002 4IP P1 . P1 . . P . . N 0 . . . . no no . . . . 9.367 . 38.080 . 9.093 . -0.405 -0.278 4.317 13 . 18002 4IP O1P . O1P . . O . . N 0 . . . . no no . . . . 8.877 . 39.142 . 10.001 . -1.591 0.595 4.177 14 . 18002 4IP O2P . O2P . . O . . N 0 . . . . no no . . . . 9.435 . 36.728 . 9.698 . -0.535 -1.148 5.666 15 . 18002 4IP O3P . O3P . . O . . N 0 . . . . no no . . . . 8.659 . 38.084 . 7.789 . 0.923 0.628 4.389 16 . 18002 4IP P3 . P3 . . P . . N 0 . . . . no no . . . . 14.931 . 33.967 . 9.014 . -3.147 1.312 -1.335 17 . 18002 4IP O4P . O4P . . O . . N 0 . . . . no no . . . . 16.089 . 33.809 . 9.943 . -2.239 2.328 -1.914 18 . 18002 4IP O5P . O5P . . O . . N 0 . . . . no no . . . . 13.636 . 33.504 . 9.568 . -4.406 1.098 -2.315 19 . 18002 4IP O6P . O6P . . O . . N 0 . . . . no no . . . . 15.188 . 33.386 . 7.663 . -3.666 1.815 0.103 20 . 18002 4IP P4 . P4 . . P . . N 0 . . . . no no . . . . 16.748 . 36.057 . 6.020 . 0.202 -1.538 -3.009 21 . 18002 4IP O7P . O7P . . O . . N 0 . . . . no no . . . . 17.212 . 37.230 . 6.800 . 0.221 -3.064 -3.522 22 . 18002 4IP O8P . O8P . . O . . N 0 . . . . no no . . . . 17.140 . 34.754 . 6.604 . -1.048 -0.766 -3.667 23 . 18002 4IP O9P . O9P . . O . . N 0 . . . . no no . . . . 17.087 . 36.119 . 4.580 . 1.460 -0.868 -3.407 24 . 18002 4IP P5 . P5 . . P . . N 0 . . . . no no . . . . 13.346 . 38.614 . 3.517 . 3.309 1.205 -0.782 25 . 18002 4IP OPF . OPF . . O . . N 0 . . . . no no . . . . 12.956 . 37.336 . 2.881 . 4.710 0.947 -1.534 26 . 18002 4IP OPG . OPG . . O . . N 0 . . . . no no . . . . 14.417 . 39.319 . 2.766 . 3.569 1.655 0.603 27 . 18002 4IP OPH . OPH . . O . . N 0 . . . . no no . . . . 12.217 . 39.525 . 3.830 . 2.480 2.340 -1.567 28 . 18002 4IP H1 . H1 . . H . . N 0 . . . . no no . . . . 11.078 . 36.784 . 7.493 . -0.207 0.609 2.188 29 . 18002 4IP H2 . H2 . . H . . N 0 . . . . no no . . . . 12.311 . 36.365 . 9.639 . -2.311 -0.487 1.467 30 . 18002 4IP HO2 . HO2 . . H . . N 0 . . . . no no . . . . 14.218 . 37.651 . 9.995 . -1.445 -2.607 1.370 31 . 18002 4IP H3 . H3 . . H . . N 0 . . . . no no . . . . 13.066 . 35.258 . 7.574 . -1.264 1.223 0.009 32 . 18002 4IP H4 . H4 . . H . . N 0 . . . . no no . . . . 14.922 . 37.705 . 7.310 . 0.140 0.492 -1.898 33 . 18002 4IP H5 . H5 . . H . . N 0 . . . . no no . . . . 12.625 . 36.705 . 5.504 . 1.224 1.181 0.222 34 . 18002 4IP H6 . H6 . . H . . N 0 . . . . no no . . . . 12.910 . 39.271 . 7.158 . 1.119 -1.800 0.866 35 . 18002 4IP HO6 . HO6 . . H . . N 0 . . . . no no . . . . 11.571 . 39.237 . 5.285 . 2.097 -1.074 2.808 36 . 18002 4IP HO2P . HO2P . . H . . N 0 . . . . no no . . . . 8.524 . 36.530 . 9.883 . -0.587 -0.520 6.399 37 . 18002 4IP HO3P . HO3P . . H . . N 0 . . . . no no . . . . 7.748 . 37.886 . 7.974 . 1.671 0.022 4.480 38 . 18002 4IP HO5P . HO5P . . H . . N 0 . . . . no no . . . . 13.771 . 32.569 . 9.674 . -4.851 1.953 -2.390 39 . 18002 4IP HO6P . HO6P . . H . . N 0 . . . . no no . . . . 15.323 . 32.451 . 7.769 . -4.253 1.126 0.444 40 . 18002 4IP HO7P . HO7P . . H . . N 0 . . . . no no . . . . 18.159 . 37.274 . 6.740 . 0.304 -3.034 -4.485 41 . 18002 4IP HO8P . HO8P . . H . . N 0 . . . . no no . . . . 18.087 . 34.798 . 6.544 . -1.845 -1.233 -3.383 42 . 18002 4IP HOP1 . HOP1 . . H . . N 0 . . . . no no . . . . 12.604 . 37.540 . 2.022 . 5.188 1.787 -1.529 43 . 18002 4IP HOP3 . HOP3 . . H . . N 0 . . . . no no . . . . 11.865 . 39.729 . 2.971 . 2.332 2.008 -2.463 44 . 18002 4IP 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 C1 O1 no N 1 . 18002 4IP 2 . SING C1 C2 no N 2 . 18002 4IP 3 . SING C1 C6 no N 3 . 18002 4IP 4 . SING C1 H1 no N 4 . 18002 4IP 5 . SING O1 P1 no N 5 . 18002 4IP 6 . SING C2 O2 no N 6 . 18002 4IP 7 . SING C2 C3 no N 7 . 18002 4IP 8 . SING C2 H2 no N 8 . 18002 4IP 9 . SING O2 HO2 no N 9 . 18002 4IP 10 . SING C3 O3 no N 10 . 18002 4IP 11 . SING C3 C4 no N 11 . 18002 4IP 12 . SING C3 H3 no N 12 . 18002 4IP 13 . SING O3 P3 no N 13 . 18002 4IP 14 . SING C4 O4 no N 14 . 18002 4IP 15 . SING C4 C5 no N 15 . 18002 4IP 16 . SING C4 H4 no N 16 . 18002 4IP 17 . SING O4 P4 no N 17 . 18002 4IP 18 . SING C5 O5 no N 18 . 18002 4IP 19 . SING C5 C6 no N 19 . 18002 4IP 20 . SING C5 H5 no N 20 . 18002 4IP 21 . SING O5 P5 no N 21 . 18002 4IP 22 . SING C6 O6 no N 22 . 18002 4IP 23 . SING C6 H6 no N 23 . 18002 4IP 24 . SING O6 HO6 no N 24 . 18002 4IP 25 . DOUB P1 O1P no N 25 . 18002 4IP 26 . SING P1 O2P no N 26 . 18002 4IP 27 . SING P1 O3P no N 27 . 18002 4IP 28 . SING O2P HO2P no N 28 . 18002 4IP 29 . SING O3P HO3P no N 29 . 18002 4IP 30 . DOUB P3 O4P no N 30 . 18002 4IP 31 . SING P3 O5P no N 31 . 18002 4IP 32 . SING P3 O6P no N 32 . 18002 4IP 33 . SING O5P HO5P no N 33 . 18002 4IP 34 . SING O6P HO6P no N 34 . 18002 4IP 35 . SING P4 O7P no N 35 . 18002 4IP 36 . SING P4 O8P no N 36 . 18002 4IP 37 . DOUB P4 O9P no N 37 . 18002 4IP 38 . SING O7P HO7P no N 38 . 18002 4IP 39 . SING O8P HO8P no N 39 . 18002 4IP 40 . SING P5 OPF no N 40 . 18002 4IP 41 . DOUB P5 OPG no N 41 . 18002 4IP 42 . SING P5 OPH no N 42 . 18002 4IP 43 . SING OPF HOP1 no N 43 . 18002 4IP 44 . SING OPH HOP3 no N 44 . 18002 4IP stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18002 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Kindlin-2 '[U-100% 13C; U-100% 15N]' . . 1 $Kindlin-2 . . 1 . . mM . . . . 18002 1 2 4IP 'natural abundance' . . 2 $4IP . . 2 . . mM . . . . 18002 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18002 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18002 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18002 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Kindlin2-PH '[U-100% 13C; U-100% 15N]' . . 1 $Kindlin-2 . . 1 . . mM . . . . 18002 2 2 4IP 'natural abundance' . . 2 $4IP . . 2 . . mM . . . . 18002 2 3 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18002 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18002 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 18002 1 pH 6.8 . pH 18002 1 pressure 1 . atm 18002 1 temperature 273 . K 18002 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18002 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18002 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18002 1 'peak picking' 18002 1 stop_ save_ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 18002 _Software.ID 2 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18002 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18002 2 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 18002 _Software.ID 3 _Software.Name ARIA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 18002 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18002 3 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 18002 _Software.ID 4 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 18002 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18002 4 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18002 _Software.ID 5 _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' . . 18002 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18002 5 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 18002 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18002 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18002 _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 . 600 . . . 18002 1 2 spectrometer_2 Bruker Avance . 900 . . . 18002 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 18002 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18002 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18002 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18002 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18002 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18002 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18002 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18002 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18002 1 9 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18002 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18002 1 11 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18002 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18002 1 13 '3D 15N/13C filtered (F1) [1H-13C]-NOESY-HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18002 1 14 '1D 15N/13C filtered (F1) NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18002 1 15 '2D 15N/13C filtered (F1) TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18002 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 18002 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18002 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18002 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18002 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 18002 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _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-15N HSQC' . . . 18002 1 5 '3D HNCO' . . . 18002 1 11 '3D HCCH-COSY' . . . 18002 1 14 '1D 15N/13C filtered (F1) NOESY' . . . 18002 1 15 '2D 15N/13C filtered (F1) TOCSY' . . . 18002 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 HIS HA H 1 4.125 0.03 . 1 . . . A 365 HIS HA . 18002 1 2 . 1 1 3 3 HIS HB2 H 1 2.808 0.03 . 1 . . . A 365 HIS HB2 . 18002 1 3 . 1 1 3 3 HIS HB3 H 1 3.099 0.03 . 1 . . . A 365 HIS HB3 . 18002 1 4 . 1 1 3 3 HIS CA C 13 55.015 0.50 . 1 . . . A 365 HIS CA . 18002 1 5 . 1 1 3 3 HIS CB C 13 31.929 0.50 . 1 . . . A 365 HIS CB . 18002 1 6 . 1 1 4 4 MET H H 1 8.373 0.03 . 1 . . . A 366 MET H . 18002 1 7 . 1 1 4 4 MET HA H 1 4.345 0.03 . 1 . . . A 366 MET HA . 18002 1 8 . 1 1 4 4 MET HB2 H 1 2.071 0.03 . 1 . . . A 366 MET HB2 . 18002 1 9 . 1 1 4 4 MET HB3 H 1 1.974 0.03 . 1 . . . A 366 MET HB3 . 18002 1 10 . 1 1 4 4 MET HG2 H 1 2.268 0.03 . 2 . . . A 366 MET HG2 . 18002 1 11 . 1 1 4 4 MET HG3 H 1 2.268 0.03 . 2 . . . A 366 MET HG3 . 18002 1 12 . 1 1 4 4 MET CA C 13 55.337 0.50 . 1 . . . A 366 MET CA . 18002 1 13 . 1 1 4 4 MET CB C 13 32.668 0.50 . 1 . . . A 366 MET CB . 18002 1 14 . 1 1 4 4 MET CG C 13 31.784 0.50 . 1 . . . A 366 MET CG . 18002 1 15 . 1 1 4 4 MET N N 15 120.431 0.25 . 1 . . . A 366 MET N . 18002 1 16 . 1 1 5 5 GLY H H 1 8.224 0.03 . 1 . . . A 367 GLY H . 18002 1 17 . 1 1 5 5 GLY HA2 H 1 3.882 0.03 . 2 . . . A 367 GLY HA2 . 18002 1 18 . 1 1 5 5 GLY HA3 H 1 3.882 0.03 . 2 . . . A 367 GLY HA3 . 18002 1 19 . 1 1 5 5 GLY CA C 13 45.457 0.50 . 1 . . . A 367 GLY CA . 18002 1 20 . 1 1 5 5 GLY N N 15 109.318 0.25 . 1 . . . A 367 GLY N . 18002 1 21 . 1 1 6 6 ASP H H 1 8.199 0.03 . 1 . . . A 368 ASP H . 18002 1 22 . 1 1 6 6 ASP HA H 1 4.600 0.03 . 1 . . . A 368 ASP HA . 18002 1 23 . 1 1 6 6 ASP CA C 13 54.513 0.50 . 1 . . . A 368 ASP CA . 18002 1 24 . 1 1 6 6 ASP CB C 13 41.326 0.50 . 1 . . . A 368 ASP CB . 18002 1 25 . 1 1 6 6 ASP N N 15 120.307 0.25 . 1 . . . A 368 ASP N . 18002 1 26 . 1 1 7 7 ILE H H 1 8.138 0.03 . 1 . . . A 369 ILE H . 18002 1 27 . 1 1 7 7 ILE HA H 1 4.218 0.03 . 1 . . . A 369 ILE HA . 18002 1 28 . 1 1 7 7 ILE HB H 1 1.897 0.03 . 1 . . . A 369 ILE HB . 18002 1 29 . 1 1 7 7 ILE HG12 H 1 1.167 0.03 . 1 . . . A 369 ILE HG12 . 18002 1 30 . 1 1 7 7 ILE HG13 H 1 1.412 0.03 . 1 . . . A 369 ILE HG13 . 18002 1 31 . 1 1 7 7 ILE CA C 13 61.584 0.50 . 1 . . . A 369 ILE CA . 18002 1 32 . 1 1 7 7 ILE CB C 13 38.768 0.50 . 1 . . . A 369 ILE CB . 18002 1 33 . 1 1 7 7 ILE CG1 C 13 27.115 0.50 . 1 . . . A 369 ILE CG1 . 18002 1 34 . 1 1 7 7 ILE CG2 C 13 17.757 0.50 . 1 . . . A 369 ILE CG2 . 18002 1 35 . 1 1 7 7 ILE CD1 C 13 13.236 0.50 . 1 . . . A 369 ILE CD1 . 18002 1 36 . 1 1 7 7 ILE N N 15 120.668 0.25 . 1 . . . A 369 ILE N . 18002 1 37 . 1 1 8 8 THR H H 1 8.230 0.03 . 1 . . . A 370 THR H . 18002 1 38 . 1 1 8 8 THR HA H 1 4.322 0.03 . 1 . . . A 370 THR HA . 18002 1 39 . 1 1 8 8 THR HB H 1 4.181 0.03 . 1 . . . A 370 THR HB . 18002 1 40 . 1 1 8 8 THR CA C 13 62.332 0.50 . 1 . . . A 370 THR CA . 18002 1 41 . 1 1 8 8 THR CB C 13 69.946 0.50 . 1 . . . A 370 THR CB . 18002 1 42 . 1 1 8 8 THR CG2 C 13 21.081 0.50 . 1 . . . A 370 THR CG2 . 18002 1 43 . 1 1 8 8 THR N N 15 117.564 0.25 . 1 . . . A 370 THR N . 18002 1 44 . 1 1 9 9 SER H H 1 8.158 0.03 . 1 . . . A 371 SER H . 18002 1 45 . 1 1 9 9 SER HA H 1 4.445 0.03 . 1 . . . A 371 SER HA . 18002 1 46 . 1 1 9 9 SER CA C 13 58.274 0.50 . 1 . . . A 371 SER CA . 18002 1 47 . 1 1 9 9 SER CB C 13 63.996 0.50 . 1 . . . A 371 SER CB . 18002 1 48 . 1 1 9 9 SER N N 15 118.467 0.25 . 1 . . . A 371 SER N . 18002 1 49 . 1 1 10 10 ILE H H 1 8.112 0.03 . 1 . . . A 372 ILE H . 18002 1 50 . 1 1 10 10 ILE CA C 13 58.716 0.50 . 1 . . . A 372 ILE CA . 18002 1 51 . 1 1 10 10 ILE CB C 13 38.919 0.50 . 1 . . . A 372 ILE CB . 18002 1 52 . 1 1 10 10 ILE N N 15 123.959 0.25 . 1 . . . A 372 ILE N . 18002 1 53 . 1 1 11 11 PRO HA H 1 4.352 0.03 . 1 . . . A 373 PRO HA . 18002 1 54 . 1 1 11 11 PRO HB2 H 1 1.728 0.03 . 1 . . . A 373 PRO HB2 . 18002 1 55 . 1 1 11 11 PRO HB3 H 1 1.808 0.03 . 1 . . . A 373 PRO HB3 . 18002 1 56 . 1 1 11 11 PRO HG2 H 1 2.059 0.03 . 2 . . . A 373 PRO HG2 . 18002 1 57 . 1 1 11 11 PRO HG3 H 1 2.059 0.03 . 2 . . . A 373 PRO HG3 . 18002 1 58 . 1 1 11 11 PRO HD2 H 1 3.485 0.03 . 1 . . . A 373 PRO HD2 . 18002 1 59 . 1 1 11 11 PRO HD3 H 1 3.819 0.03 . 1 . . . A 373 PRO HD3 . 18002 1 60 . 1 1 11 11 PRO CA C 13 63.181 0.50 . 1 . . . A 373 PRO CA . 18002 1 61 . 1 1 11 11 PRO CB C 13 31.707 0.50 . 1 . . . A 373 PRO CB . 18002 1 62 . 1 1 11 11 PRO CG C 13 27.349 0.50 . 1 . . . A 373 PRO CG . 18002 1 63 . 1 1 11 11 PRO CD C 13 50.878 0.50 . 1 . . . A 373 PRO CD . 18002 1 64 . 1 1 12 12 GLU H H 1 8.017 0.03 . 1 . . . A 374 GLU H . 18002 1 65 . 1 1 12 12 GLU HA H 1 4.787 0.03 . 1 . . . A 374 GLU HA . 18002 1 66 . 1 1 12 12 GLU HB2 H 1 1.810 0.03 . 2 . . . A 374 GLU HB2 . 18002 1 67 . 1 1 12 12 GLU HB3 H 1 1.810 0.03 . 2 . . . A 374 GLU HB3 . 18002 1 68 . 1 1 12 12 GLU HG2 H 1 2.090 0.03 . 1 . . . A 374 GLU HG2 . 18002 1 69 . 1 1 12 12 GLU HG3 H 1 1.960 0.03 . 1 . . . A 374 GLU HG3 . 18002 1 70 . 1 1 12 12 GLU CA C 13 55.317 0.50 . 1 . . . A 374 GLU CA . 18002 1 71 . 1 1 12 12 GLU CB C 13 33.591 0.50 . 1 . . . A 374 GLU CB . 18002 1 72 . 1 1 12 12 GLU CG C 13 36.247 0.50 . 1 . . . A 374 GLU CG . 18002 1 73 . 1 1 12 12 GLU N N 15 119.349 0.25 . 1 . . . A 374 GLU N . 18002 1 74 . 1 1 13 13 LEU H H 1 8.036 0.03 . 1 . . . A 375 LEU H . 18002 1 75 . 1 1 13 13 LEU HA H 1 4.478 0.03 . 1 . . . A 375 LEU HA . 18002 1 76 . 1 1 13 13 LEU HB2 H 1 0.970 0.03 . 2 . . . A 375 LEU HB2 . 18002 1 77 . 1 1 13 13 LEU HB3 H 1 0.970 0.03 . 2 . . . A 375 LEU HB3 . 18002 1 78 . 1 1 13 13 LEU HG H 1 0.772 0.03 . 1 . . . A 375 LEU HG . 18002 1 79 . 1 1 13 13 LEU CA C 13 53.930 0.50 . 1 . . . A 375 LEU CA . 18002 1 80 . 1 1 13 13 LEU CB C 13 44.656 0.50 . 1 . . . A 375 LEU CB . 18002 1 81 . 1 1 13 13 LEU CG C 13 26.343 0.50 . 1 . . . A 375 LEU CG . 18002 1 82 . 1 1 13 13 LEU N N 15 122.288 0.25 . 1 . . . A 375 LEU N . 18002 1 83 . 1 1 14 14 ALA H H 1 8.181 0.03 . 1 . . . A 376 ALA H . 18002 1 84 . 1 1 14 14 ALA HA H 1 5.246 0.03 . 1 . . . A 376 ALA HA . 18002 1 85 . 1 1 14 14 ALA CA C 13 51.745 0.50 . 1 . . . A 376 ALA CA . 18002 1 86 . 1 1 14 14 ALA CB C 13 21.586 0.50 . 1 . . . A 376 ALA CB . 18002 1 87 . 1 1 14 14 ALA N N 15 125.461 0.25 . 1 . . . A 376 ALA N . 18002 1 88 . 1 1 15 15 ASP H H 1 8.326 0.03 . 1 . . . A 377 ASP H . 18002 1 89 . 1 1 15 15 ASP HA H 1 4.319 0.03 . 1 . . . A 377 ASP HA . 18002 1 90 . 1 1 15 15 ASP HB2 H 1 2.453 0.03 . 1 . . . A 377 ASP HB2 . 18002 1 91 . 1 1 15 15 ASP HB3 H 1 2.320 0.03 . 1 . . . A 377 ASP HB3 . 18002 1 92 . 1 1 15 15 ASP CA C 13 53.752 0.50 . 1 . . . A 377 ASP CA . 18002 1 93 . 1 1 15 15 ASP CB C 13 46.639 0.50 . 1 . . . A 377 ASP CB . 18002 1 94 . 1 1 15 15 ASP N N 15 122.242 0.25 . 1 . . . A 377 ASP N . 18002 1 95 . 1 1 16 16 TYR H H 1 8.869 0.03 . 1 . . . A 378 TYR H . 18002 1 96 . 1 1 16 16 TYR HA H 1 5.391 0.03 . 1 . . . A 378 TYR HA . 18002 1 97 . 1 1 16 16 TYR HB2 H 1 2.906 0.03 . 1 . . . A 378 TYR HB2 . 18002 1 98 . 1 1 16 16 TYR HB3 H 1 2.829 0.03 . 1 . . . A 378 TYR HB3 . 18002 1 99 . 1 1 16 16 TYR CA C 13 59.581 0.50 . 1 . . . A 378 TYR CA . 18002 1 100 . 1 1 16 16 TYR CB C 13 39.023 0.50 . 1 . . . A 378 TYR CB . 18002 1 101 . 1 1 16 16 TYR N N 15 118.961 0.25 . 1 . . . A 378 TYR N . 18002 1 102 . 1 1 17 17 ILE H H 1 8.608 0.03 . 1 . . . A 379 ILE H . 18002 1 103 . 1 1 17 17 ILE HA H 1 4.330 0.03 . 1 . . . A 379 ILE HA . 18002 1 104 . 1 1 17 17 ILE HB H 1 1.763 0.03 . 1 . . . A 379 ILE HB . 18002 1 105 . 1 1 17 17 ILE HG12 H 1 0.468 0.03 . 2 . . . A 379 ILE HG12 . 18002 1 106 . 1 1 17 17 ILE HG13 H 1 0.468 0.03 . 2 . . . A 379 ILE HG13 . 18002 1 107 . 1 1 17 17 ILE CA C 13 58.732 0.50 . 1 . . . A 379 ILE CA . 18002 1 108 . 1 1 17 17 ILE CB C 13 40.976 0.50 . 1 . . . A 379 ILE CB . 18002 1 109 . 1 1 17 17 ILE CG1 C 13 26.000 0.50 . 1 . . . A 379 ILE CG1 . 18002 1 110 . 1 1 17 17 ILE CG2 C 13 17.849 0.50 . 1 . . . A 379 ILE CG2 . 18002 1 111 . 1 1 17 17 ILE CD1 C 13 9.116 0.50 . 1 . . . A 379 ILE CD1 . 18002 1 112 . 1 1 17 17 ILE N N 15 125.214 0.25 . 1 . . . A 379 ILE N . 18002 1 113 . 1 1 18 18 LYS H H 1 7.424 0.03 . 1 . . . A 380 LYS H . 18002 1 114 . 1 1 18 18 LYS HA H 1 5.112 0.03 . 1 . . . A 380 LYS HA . 18002 1 115 . 1 1 18 18 LYS HB2 H 1 1.788 0.03 . 2 . . . A 380 LYS HB2 . 18002 1 116 . 1 1 18 18 LYS HB3 H 1 1.788 0.03 . 2 . . . A 380 LYS HB3 . 18002 1 117 . 1 1 18 18 LYS HG2 H 1 1.330 0.03 . 2 . . . A 380 LYS HG2 . 18002 1 118 . 1 1 18 18 LYS HG3 H 1 1.330 0.03 . 2 . . . A 380 LYS HG3 . 18002 1 119 . 1 1 18 18 LYS HD2 H 1 1.623 0.03 . 2 . . . A 380 LYS HD2 . 18002 1 120 . 1 1 18 18 LYS HD3 H 1 1.623 0.03 . 2 . . . A 380 LYS HD3 . 18002 1 121 . 1 1 18 18 LYS HE2 H 1 2.833 0.03 . 2 . . . A 380 LYS HE2 . 18002 1 122 . 1 1 18 18 LYS HE3 H 1 2.833 0.03 . 2 . . . A 380 LYS HE3 . 18002 1 123 . 1 1 18 18 LYS CA C 13 55.836 0.50 . 1 . . . A 380 LYS CA . 18002 1 124 . 1 1 18 18 LYS CB C 13 35.025 0.50 . 1 . . . A 380 LYS CB . 18002 1 125 . 1 1 18 18 LYS CG C 13 26.251 0.50 . 1 . . . A 380 LYS CG . 18002 1 126 . 1 1 18 18 LYS CD C 13 29.429 0.50 . 1 . . . A 380 LYS CD . 18002 1 127 . 1 1 18 18 LYS CE C 13 41.977 0.50 . 1 . . . A 380 LYS CE . 18002 1 128 . 1 1 18 18 LYS N N 15 122.917 0.25 . 1 . . . A 380 LYS N . 18002 1 129 . 1 1 19 19 VAL H H 1 9.223 0.03 . 1 . . . A 381 VAL H . 18002 1 130 . 1 1 19 19 VAL HA H 1 5.263 0.03 . 1 . . . A 381 VAL HA . 18002 1 131 . 1 1 19 19 VAL HB H 1 2.094 0.03 . 1 . . . A 381 VAL HB . 18002 1 132 . 1 1 19 19 VAL CA C 13 61.516 0.50 . 1 . . . A 381 VAL CA . 18002 1 133 . 1 1 19 19 VAL CB C 13 35.148 0.50 . 1 . . . A 381 VAL CB . 18002 1 134 . 1 1 19 19 VAL N N 15 122.839 0.25 . 1 . . . A 381 VAL N . 18002 1 135 . 1 1 20 20 PHE H H 1 9.451 0.03 . 1 . . . A 382 PHE H . 18002 1 136 . 1 1 20 20 PHE HA H 1 4.843 0.03 . 1 . . . A 382 PHE HA . 18002 1 137 . 1 1 20 20 PHE CA C 13 55.505 0.50 . 1 . . . A 382 PHE CA . 18002 1 138 . 1 1 20 20 PHE CB C 13 42.862 0.50 . 1 . . . A 382 PHE CB . 18002 1 139 . 1 1 20 20 PHE N N 15 129.509 0.25 . 1 . . . A 382 PHE N . 18002 1 140 . 1 1 21 21 LYS H H 1 7.582 0.03 . 1 . . . A 383 LYS H . 18002 1 141 . 1 1 21 21 LYS CA C 13 52.841 0.50 . 1 . . . A 383 LYS CA . 18002 1 142 . 1 1 21 21 LYS CB C 13 33.219 0.50 . 1 . . . A 383 LYS CB . 18002 1 143 . 1 1 21 21 LYS N N 15 126.417 0.25 . 1 . . . A 383 LYS N . 18002 1 144 . 1 1 22 22 PRO HD2 H 1 3.557 0.03 . 2 . . . A 384 PRO HD2 . 18002 1 145 . 1 1 22 22 PRO HD3 H 1 3.557 0.03 . 2 . . . A 384 PRO HD3 . 18002 1 146 . 1 1 22 22 PRO CA C 13 63.697 0.50 . 1 . . . A 384 PRO CA . 18002 1 147 . 1 1 22 22 PRO CB C 13 31.969 0.50 . 1 . . . A 384 PRO CB . 18002 1 148 . 1 1 22 22 PRO CD C 13 45.360 0.50 . 1 . . . A 384 PRO CD . 18002 1 149 . 1 1 23 23 LYS H H 1 8.138 0.03 . 1 . . . A 385 LYS H . 18002 1 150 . 1 1 23 23 LYS HA H 1 4.215 0.03 . 1 . . . A 385 LYS HA . 18002 1 151 . 1 1 23 23 LYS HB2 H 1 1.818 0.03 . 2 . . . A 385 LYS HB2 . 18002 1 152 . 1 1 23 23 LYS HB3 H 1 1.818 0.03 . 2 . . . A 385 LYS HB3 . 18002 1 153 . 1 1 23 23 LYS HG2 H 1 1.325 0.03 . 2 . . . A 385 LYS HG2 . 18002 1 154 . 1 1 23 23 LYS HG3 H 1 1.325 0.03 . 2 . . . A 385 LYS HG3 . 18002 1 155 . 1 1 23 23 LYS HD2 H 1 1.642 0.03 . 2 . . . A 385 LYS HD2 . 18002 1 156 . 1 1 23 23 LYS HD3 H 1 1.642 0.03 . 2 . . . A 385 LYS HD3 . 18002 1 157 . 1 1 23 23 LYS HE2 H 1 2.932 0.03 . 2 . . . A 385 LYS HE2 . 18002 1 158 . 1 1 23 23 LYS HE3 H 1 2.932 0.03 . 2 . . . A 385 LYS HE3 . 18002 1 159 . 1 1 23 23 LYS CA C 13 56.345 0.50 . 1 . . . A 385 LYS CA . 18002 1 160 . 1 1 23 23 LYS CB C 13 33.033 0.50 . 1 . . . A 385 LYS CB . 18002 1 161 . 1 1 23 23 LYS CG C 13 24.982 0.50 . 1 . . . A 385 LYS CG . 18002 1 162 . 1 1 23 23 LYS CD C 13 28.883 0.50 . 1 . . . A 385 LYS CD . 18002 1 163 . 1 1 23 23 LYS CE C 13 42.215 0.50 . 1 . . . A 385 LYS CE . 18002 1 164 . 1 1 23 23 LYS N N 15 118.026 0.25 . 1 . . . A 385 LYS N . 18002 1 165 . 1 1 24 24 LYS H H 1 7.727 0.03 . 1 . . . A 386 LYS H . 18002 1 166 . 1 1 24 24 LYS HA H 1 4.186 0.03 . 1 . . . A 386 LYS HA . 18002 1 167 . 1 1 24 24 LYS HB2 H 1 1.794 0.03 . 2 . . . A 386 LYS HB2 . 18002 1 168 . 1 1 24 24 LYS HB3 H 1 1.794 0.03 . 2 . . . A 386 LYS HB3 . 18002 1 169 . 1 1 24 24 LYS HG2 H 1 1.280 0.03 . 2 . . . A 386 LYS HG2 . 18002 1 170 . 1 1 24 24 LYS HG3 H 1 1.280 0.03 . 2 . . . A 386 LYS HG3 . 18002 1 171 . 1 1 24 24 LYS HD2 H 1 1.414 0.03 . 2 . . . A 386 LYS HD2 . 18002 1 172 . 1 1 24 24 LYS HD3 H 1 1.414 0.03 . 2 . . . A 386 LYS HD3 . 18002 1 173 . 1 1 24 24 LYS HE2 H 1 2.925 0.03 . 2 . . . A 386 LYS HE2 . 18002 1 174 . 1 1 24 24 LYS HE3 H 1 2.925 0.03 . 2 . . . A 386 LYS HE3 . 18002 1 175 . 1 1 24 24 LYS CA C 13 56.862 0.50 . 1 . . . A 386 LYS CA . 18002 1 176 . 1 1 24 24 LYS CB C 13 32.827 0.50 . 1 . . . A 386 LYS CB . 18002 1 177 . 1 1 24 24 LYS N N 15 120.816 0.25 . 1 . . . A 386 LYS N . 18002 1 178 . 1 1 25 25 LEU H H 1 8.241 0.03 . 1 . . . A 387 LEU H . 18002 1 179 . 1 1 25 25 LEU HA H 1 4.168 0.03 . 1 . . . A 387 LEU HA . 18002 1 180 . 1 1 25 25 LEU HB2 H 1 1.686 0.03 . 2 . . . A 387 LEU HB2 . 18002 1 181 . 1 1 25 25 LEU HB3 H 1 1.686 0.03 . 2 . . . A 387 LEU HB3 . 18002 1 182 . 1 1 25 25 LEU HG H 1 1.549 0.03 . 1 . . . A 387 LEU HG . 18002 1 183 . 1 1 25 25 LEU HD11 H 1 0.816 0.03 . 1 . . . A 387 LEU HD11 . 18002 1 184 . 1 1 25 25 LEU HD12 H 1 0.816 0.03 . 1 . . . A 387 LEU HD12 . 18002 1 185 . 1 1 25 25 LEU HD13 H 1 0.816 0.03 . 1 . . . A 387 LEU HD13 . 18002 1 186 . 1 1 25 25 LEU HD21 H 1 0.816 0.03 . 1 . . . A 387 LEU HD21 . 18002 1 187 . 1 1 25 25 LEU HD22 H 1 0.816 0.03 . 1 . . . A 387 LEU HD22 . 18002 1 188 . 1 1 25 25 LEU HD23 H 1 0.816 0.03 . 1 . . . A 387 LEU HD23 . 18002 1 189 . 1 1 25 25 LEU CA C 13 56.508 0.50 . 1 . . . A 387 LEU CA . 18002 1 190 . 1 1 25 25 LEU CB C 13 41.642 0.50 . 1 . . . A 387 LEU CB . 18002 1 191 . 1 1 25 25 LEU CG C 13 27.094 0.50 . 1 . . . A 387 LEU CG . 18002 1 192 . 1 1 25 25 LEU CD1 C 13 24.747 0.50 . 1 . . . A 387 LEU CD1 . 18002 1 193 . 1 1 25 25 LEU CD2 C 13 23.452 0.50 . 1 . . . A 387 LEU CD2 . 18002 1 194 . 1 1 25 25 LEU N N 15 121.214 0.25 . 1 . . . A 387 LEU N . 18002 1 195 . 1 1 26 26 THR H H 1 7.700 0.03 . 1 . . . A 388 THR H . 18002 1 196 . 1 1 26 26 THR HA H 1 4.313 0.03 . 1 . . . A 388 THR HA . 18002 1 197 . 1 1 26 26 THR HB H 1 4.166 0.03 . 1 . . . A 388 THR HB . 18002 1 198 . 1 1 26 26 THR CA C 13 61.795 0.50 . 1 . . . A 388 THR CA . 18002 1 199 . 1 1 26 26 THR CB C 13 69.875 0.50 . 1 . . . A 388 THR CB . 18002 1 200 . 1 1 26 26 THR CG2 C 13 21.792 0.50 . 1 . . . A 388 THR CG2 . 18002 1 201 . 1 1 26 26 THR N N 15 112.798 0.25 . 1 . . . A 388 THR N . 18002 1 202 . 1 1 27 27 LEU H H 1 8.260 0.03 . 1 . . . A 389 LEU H . 18002 1 203 . 1 1 27 27 LEU HA H 1 4.354 0.03 . 1 . . . A 389 LEU HA . 18002 1 204 . 1 1 27 27 LEU HB2 H 1 1.588 0.03 . 2 . . . A 389 LEU HB2 . 18002 1 205 . 1 1 27 27 LEU HB3 H 1 1.588 0.03 . 2 . . . A 389 LEU HB3 . 18002 1 206 . 1 1 27 27 LEU HD11 H 1 0.850 0.03 . 1 . . . A 389 LEU HD11 . 18002 1 207 . 1 1 27 27 LEU HD12 H 1 0.850 0.03 . 1 . . . A 389 LEU HD12 . 18002 1 208 . 1 1 27 27 LEU HD13 H 1 0.850 0.03 . 1 . . . A 389 LEU HD13 . 18002 1 209 . 1 1 27 27 LEU HD21 H 1 0.850 0.03 . 1 . . . A 389 LEU HD21 . 18002 1 210 . 1 1 27 27 LEU HD22 H 1 0.850 0.03 . 1 . . . A 389 LEU HD22 . 18002 1 211 . 1 1 27 27 LEU HD23 H 1 0.850 0.03 . 1 . . . A 389 LEU HD23 . 18002 1 212 . 1 1 27 27 LEU CA C 13 55.533 0.50 . 1 . . . A 389 LEU CA . 18002 1 213 . 1 1 27 27 LEU CB C 13 42.298 0.50 . 1 . . . A 389 LEU CB . 18002 1 214 . 1 1 27 27 LEU CG C 13 27.077 0.50 . 1 . . . A 389 LEU CG . 18002 1 215 . 1 1 27 27 LEU CD1 C 13 24.708 0.50 . 1 . . . A 389 LEU CD1 . 18002 1 216 . 1 1 27 27 LEU CD2 C 13 23.645 0.50 . 1 . . . A 389 LEU CD2 . 18002 1 217 . 1 1 27 27 LEU N N 15 124.091 0.25 . 1 . . . A 389 LEU N . 18002 1 218 . 1 1 28 28 LYS H H 1 8.202 0.03 . 1 . . . A 390 LYS H . 18002 1 219 . 1 1 28 28 LYS HA H 1 4.320 0.03 . 1 . . . A 390 LYS HA . 18002 1 220 . 1 1 28 28 LYS HB2 H 1 1.861 0.03 . 1 . . . A 390 LYS HB2 . 18002 1 221 . 1 1 28 28 LYS HB3 H 1 1.703 0.03 . 1 . . . A 390 LYS HB3 . 18002 1 222 . 1 1 28 28 LYS HG2 H 1 1.342 0.03 . 1 . . . A 390 LYS HG2 . 18002 1 223 . 1 1 28 28 LYS HG3 H 1 1.447 0.03 . 1 . . . A 390 LYS HG3 . 18002 1 224 . 1 1 28 28 LYS HD2 H 1 1.610 0.03 . 2 . . . A 390 LYS HD2 . 18002 1 225 . 1 1 28 28 LYS HD3 H 1 1.610 0.03 . 2 . . . A 390 LYS HD3 . 18002 1 226 . 1 1 28 28 LYS HE2 H 1 2.938 0.03 . 2 . . . A 390 LYS HE2 . 18002 1 227 . 1 1 28 28 LYS HE3 H 1 2.938 0.03 . 2 . . . A 390 LYS HE3 . 18002 1 228 . 1 1 28 28 LYS CA C 13 56.211 0.50 . 1 . . . A 390 LYS CA . 18002 1 229 . 1 1 28 28 LYS CB C 13 33.675 0.50 . 1 . . . A 390 LYS CB . 18002 1 230 . 1 1 28 28 LYS CG C 13 24.790 0.50 . 1 . . . A 390 LYS CG . 18002 1 231 . 1 1 28 28 LYS CD C 13 28.675 0.50 . 1 . . . A 390 LYS CD . 18002 1 232 . 1 1 28 28 LYS CE C 13 42.061 0.50 . 1 . . . A 390 LYS CE . 18002 1 233 . 1 1 28 28 LYS N N 15 121.153 0.25 . 1 . . . A 390 LYS N . 18002 1 234 . 1 1 29 29 GLY H H 1 7.876 0.03 . 1 . . . A 391 GLY H . 18002 1 235 . 1 1 29 29 GLY HA2 H 1 3.873 0.03 . 2 . . . A 391 GLY HA2 . 18002 1 236 . 1 1 29 29 GLY HA3 H 1 3.873 0.03 . 2 . . . A 391 GLY HA3 . 18002 1 237 . 1 1 29 29 GLY CA C 13 44.875 0.50 . 1 . . . A 391 GLY CA . 18002 1 238 . 1 1 29 29 GLY N N 15 107.270 0.25 . 1 . . . A 391 GLY N . 18002 1 239 . 1 1 30 30 TYR H H 1 8.183 0.03 . 1 . . . A 392 TYR H . 18002 1 240 . 1 1 30 30 TYR HA H 1 4.446 0.03 . 1 . . . A 392 TYR HA . 18002 1 241 . 1 1 30 30 TYR HB2 H 1 2.798 0.03 . 2 . . . A 392 TYR HB2 . 18002 1 242 . 1 1 30 30 TYR HB3 H 1 2.798 0.03 . 2 . . . A 392 TYR HB3 . 18002 1 243 . 1 1 30 30 TYR CA C 13 59.047 0.50 . 1 . . . A 392 TYR CA . 18002 1 244 . 1 1 30 30 TYR CB C 13 39.825 0.50 . 1 . . . A 392 TYR CB . 18002 1 245 . 1 1 30 30 TYR N N 15 118.471 0.25 . 1 . . . A 392 TYR N . 18002 1 246 . 1 1 31 31 LYS H H 1 8.731 0.03 . 1 . . . A 393 LYS H . 18002 1 247 . 1 1 31 31 LYS HA H 1 4.515 0.03 . 1 . . . A 393 LYS HA . 18002 1 248 . 1 1 31 31 LYS HB2 H 1 1.559 0.03 . 1 . . . A 393 LYS HB2 . 18002 1 249 . 1 1 31 31 LYS HB3 H 1 1.642 0.03 . 1 . . . A 393 LYS HB3 . 18002 1 250 . 1 1 31 31 LYS HG2 H 1 1.288 0.03 . 2 . . . A 393 LYS HG2 . 18002 1 251 . 1 1 31 31 LYS HG3 H 1 1.288 0.03 . 2 . . . A 393 LYS HG3 . 18002 1 252 . 1 1 31 31 LYS HD2 H 1 1.082 0.03 . 2 . . . A 393 LYS HD2 . 18002 1 253 . 1 1 31 31 LYS HD3 H 1 1.082 0.03 . 2 . . . A 393 LYS HD3 . 18002 1 254 . 1 1 31 31 LYS HE2 H 1 2.858 0.03 . 2 . . . A 393 LYS HE2 . 18002 1 255 . 1 1 31 31 LYS HE3 H 1 2.858 0.03 . 2 . . . A 393 LYS HE3 . 18002 1 256 . 1 1 31 31 LYS CA C 13 55.174 0.50 . 1 . . . A 393 LYS CA . 18002 1 257 . 1 1 31 31 LYS CB C 13 35.720 0.50 . 1 . . . A 393 LYS CB . 18002 1 258 . 1 1 31 31 LYS CG C 13 24.896 0.50 . 1 . . . A 393 LYS CG . 18002 1 259 . 1 1 31 31 LYS CD C 13 28.912 0.50 . 1 . . . A 393 LYS CD . 18002 1 260 . 1 1 31 31 LYS CE C 13 41.978 0.50 . 1 . . . A 393 LYS CE . 18002 1 261 . 1 1 31 31 LYS N N 15 122.833 0.25 . 1 . . . A 393 LYS N . 18002 1 262 . 1 1 32 32 GLN H H 1 8.776 0.03 . 1 . . . A 394 GLN H . 18002 1 263 . 1 1 32 32 GLN HA H 1 4.678 0.03 . 1 . . . A 394 GLN HA . 18002 1 264 . 1 1 32 32 GLN HB2 H 1 2.049 0.03 . 1 . . . A 394 GLN HB2 . 18002 1 265 . 1 1 32 32 GLN HB3 H 1 1.824 0.03 . 1 . . . A 394 GLN HB3 . 18002 1 266 . 1 1 32 32 GLN HG2 H 1 2.206 0.03 . 2 . . . A 394 GLN HG2 . 18002 1 267 . 1 1 32 32 GLN HG3 H 1 2.206 0.03 . 2 . . . A 394 GLN HG3 . 18002 1 268 . 1 1 32 32 GLN CA C 13 56.607 0.50 . 1 . . . A 394 GLN CA . 18002 1 269 . 1 1 32 32 GLN CB C 13 31.048 0.50 . 1 . . . A 394 GLN CB . 18002 1 270 . 1 1 32 32 GLN CG C 13 35.649 0.50 . 1 . . . A 394 GLN CG . 18002 1 271 . 1 1 32 32 GLN N N 15 124.759 0.25 . 1 . . . A 394 GLN N . 18002 1 272 . 1 1 33 33 TYR H H 1 8.774 0.03 . 1 . . . A 395 TYR H . 18002 1 273 . 1 1 33 33 TYR HA H 1 5.074 0.03 . 1 . . . A 395 TYR HA . 18002 1 274 . 1 1 33 33 TYR HB2 H 1 2.505 0.03 . 2 . . . A 395 TYR HB2 . 18002 1 275 . 1 1 33 33 TYR HB3 H 1 2.505 0.03 . 2 . . . A 395 TYR HB3 . 18002 1 276 . 1 1 33 33 TYR CA C 13 57.164 0.50 . 1 . . . A 395 TYR CA . 18002 1 277 . 1 1 33 33 TYR CB C 13 42.672 0.50 . 1 . . . A 395 TYR CB . 18002 1 278 . 1 1 33 33 TYR N N 15 125.112 0.25 . 1 . . . A 395 TYR N . 18002 1 279 . 1 1 34 34 TRP H H 1 8.975 0.03 . 1 . . . A 396 TRP H . 18002 1 280 . 1 1 34 34 TRP HA H 1 4.682 0.03 . 1 . . . A 396 TRP HA . 18002 1 281 . 1 1 34 34 TRP HB2 H 1 2.706 0.03 . 1 . . . A 396 TRP HB2 . 18002 1 282 . 1 1 34 34 TRP HB3 H 1 2.883 0.03 . 1 . . . A 396 TRP HB3 . 18002 1 283 . 1 1 34 34 TRP CA C 13 57.218 0.50 . 1 . . . A 396 TRP CA . 18002 1 284 . 1 1 34 34 TRP CB C 13 29.504 0.50 . 1 . . . A 396 TRP CB . 18002 1 285 . 1 1 34 34 TRP N N 15 122.638 0.25 . 1 . . . A 396 TRP N . 18002 1 286 . 1 1 35 35 CYS H H 1 8.804 0.03 . 1 . . . A 397 CYS H . 18002 1 287 . 1 1 35 35 CYS HB2 H 1 2.505 0.03 . 2 . . . A 397 CYS HB2 . 18002 1 288 . 1 1 35 35 CYS HB3 H 1 2.505 0.03 . 2 . . . A 397 CYS HB3 . 18002 1 289 . 1 1 35 35 CYS CA C 13 57.367 0.50 . 1 . . . A 397 CYS CA . 18002 1 290 . 1 1 35 35 CYS CB C 13 31.706 0.50 . 1 . . . A 397 CYS CB . 18002 1 291 . 1 1 35 35 CYS N N 15 127.146 0.25 . 1 . . . A 397 CYS N . 18002 1 292 . 1 1 36 36 THR H H 1 9.090 0.03 . 1 . . . A 398 THR H . 18002 1 293 . 1 1 36 36 THR HA H 1 5.358 0.03 . 1 . . . A 398 THR HA . 18002 1 294 . 1 1 36 36 THR HB H 1 4.309 0.03 . 1 . . . A 398 THR HB . 18002 1 295 . 1 1 36 36 THR CA C 13 58.704 0.50 . 1 . . . A 398 THR CA . 18002 1 296 . 1 1 36 36 THR CB C 13 71.833 0.50 . 1 . . . A 398 THR CB . 18002 1 297 . 1 1 36 36 THR CG2 C 13 21.343 0.50 . 1 . . . A 398 THR CG2 . 18002 1 298 . 1 1 36 36 THR N N 15 110.578 0.25 . 1 . . . A 398 THR N . 18002 1 299 . 1 1 37 37 PHE H H 1 8.846 0.03 . 1 . . . A 399 PHE H . 18002 1 300 . 1 1 37 37 PHE HA H 1 4.953 0.03 . 1 . . . A 399 PHE HA . 18002 1 301 . 1 1 37 37 PHE CA C 13 56.246 0.50 . 1 . . . A 399 PHE CA . 18002 1 302 . 1 1 37 37 PHE CB C 13 42.185 0.50 . 1 . . . A 399 PHE CB . 18002 1 303 . 1 1 37 37 PHE N N 15 127.322 0.25 . 1 . . . A 399 PHE N . 18002 1 304 . 1 1 38 38 LYS H H 1 8.252 0.03 . 1 . . . A 400 LYS H . 18002 1 305 . 1 1 38 38 LYS HA H 1 4.527 0.03 . 1 . . . A 400 LYS HA . 18002 1 306 . 1 1 38 38 LYS HG2 H 1 1.355 0.03 . 2 . . . A 400 LYS HG2 . 18002 1 307 . 1 1 38 38 LYS HG3 H 1 1.355 0.03 . 2 . . . A 400 LYS HG3 . 18002 1 308 . 1 1 38 38 LYS HD2 H 1 1.706 0.03 . 2 . . . A 400 LYS HD2 . 18002 1 309 . 1 1 38 38 LYS HD3 H 1 1.706 0.03 . 2 . . . A 400 LYS HD3 . 18002 1 310 . 1 1 38 38 LYS HE2 H 1 2.925 0.03 . 2 . . . A 400 LYS HE2 . 18002 1 311 . 1 1 38 38 LYS HE3 H 1 2.925 0.03 . 2 . . . A 400 LYS HE3 . 18002 1 312 . 1 1 38 38 LYS CA C 13 55.977 0.50 . 1 . . . A 400 LYS CA . 18002 1 313 . 1 1 38 38 LYS CB C 13 35.915 0.50 . 1 . . . A 400 LYS CB . 18002 1 314 . 1 1 38 38 LYS CG C 13 24.606 0.50 . 1 . . . A 400 LYS CG . 18002 1 315 . 1 1 38 38 LYS CD C 13 29.194 0.50 . 1 . . . A 400 LYS CD . 18002 1 316 . 1 1 38 38 LYS CE C 13 42.181 0.50 . 1 . . . A 400 LYS CE . 18002 1 317 . 1 1 38 38 LYS N N 15 125.391 0.25 . 1 . . . A 400 LYS N . 18002 1 318 . 1 1 39 39 ASP H H 1 9.408 0.03 . 1 . . . A 401 ASP H . 18002 1 319 . 1 1 39 39 ASP HA H 1 4.078 0.03 . 1 . . . A 401 ASP HA . 18002 1 320 . 1 1 39 39 ASP HB2 H 1 2.932 0.03 . 2 . . . A 401 ASP HB2 . 18002 1 321 . 1 1 39 39 ASP HB3 H 1 2.932 0.03 . 2 . . . A 401 ASP HB3 . 18002 1 322 . 1 1 39 39 ASP CA C 13 57.483 0.50 . 1 . . . A 401 ASP CA . 18002 1 323 . 1 1 39 39 ASP CB C 13 39.521 0.50 . 1 . . . A 401 ASP CB . 18002 1 324 . 1 1 39 39 ASP N N 15 125.083 0.25 . 1 . . . A 401 ASP N . 18002 1 325 . 1 1 40 40 THR H H 1 8.224 0.03 . 1 . . . A 402 THR H . 18002 1 326 . 1 1 40 40 THR HA H 1 4.767 0.03 . 1 . . . A 402 THR HA . 18002 1 327 . 1 1 40 40 THR HB H 1 3.886 0.03 . 1 . . . A 402 THR HB . 18002 1 328 . 1 1 40 40 THR CA C 13 60.811 0.50 . 1 . . . A 402 THR CA . 18002 1 329 . 1 1 40 40 THR CB C 13 68.823 0.50 . 1 . . . A 402 THR CB . 18002 1 330 . 1 1 40 40 THR N N 15 112.024 0.25 . 1 . . . A 402 THR N . 18002 1 331 . 1 1 41 41 SER H H 1 8.197 0.03 . 1 . . . A 403 SER H . 18002 1 332 . 1 1 41 41 SER HA H 1 5.428 0.03 . 1 . . . A 403 SER HA . 18002 1 333 . 1 1 41 41 SER CA C 13 58.297 0.50 . 1 . . . A 403 SER CA . 18002 1 334 . 1 1 41 41 SER CB C 13 66.409 0.50 . 1 . . . A 403 SER CB . 18002 1 335 . 1 1 41 41 SER N N 15 116.142 0.25 . 1 . . . A 403 SER N . 18002 1 336 . 1 1 42 42 ILE H H 1 8.411 0.03 . 1 . . . A 404 ILE H . 18002 1 337 . 1 1 42 42 ILE HA H 1 4.929 0.03 . 1 . . . A 404 ILE HA . 18002 1 338 . 1 1 42 42 ILE HB H 1 1.360 0.03 . 1 . . . A 404 ILE HB . 18002 1 339 . 1 1 42 42 ILE HG12 H 1 0.910 0.03 . 2 . . . A 404 ILE HG12 . 18002 1 340 . 1 1 42 42 ILE HG13 H 1 0.910 0.03 . 2 . . . A 404 ILE HG13 . 18002 1 341 . 1 1 42 42 ILE CA C 13 59.804 0.50 . 1 . . . A 404 ILE CA . 18002 1 342 . 1 1 42 42 ILE CB C 13 41.420 0.50 . 1 . . . A 404 ILE CB . 18002 1 343 . 1 1 42 42 ILE CG1 C 13 28.527 0.50 . 1 . . . A 404 ILE CG1 . 18002 1 344 . 1 1 42 42 ILE CG2 C 13 16.891 0.50 . 1 . . . A 404 ILE CG2 . 18002 1 345 . 1 1 42 42 ILE CD1 C 13 14.814 0.50 . 1 . . . A 404 ILE CD1 . 18002 1 346 . 1 1 42 42 ILE N N 15 122.292 0.25 . 1 . . . A 404 ILE N . 18002 1 347 . 1 1 43 43 SER H H 1 8.752 0.03 . 1 . . . A 405 SER H . 18002 1 348 . 1 1 43 43 SER HA H 1 4.966 0.03 . 1 . . . A 405 SER HA . 18002 1 349 . 1 1 43 43 SER CA C 13 57.735 0.50 . 1 . . . A 405 SER CA . 18002 1 350 . 1 1 43 43 SER CB C 13 65.388 0.50 . 1 . . . A 405 SER CB . 18002 1 351 . 1 1 43 43 SER N N 15 122.244 0.25 . 1 . . . A 405 SER N . 18002 1 352 . 1 1 44 44 CYS H H 1 8.470 0.03 . 1 . . . A 406 CYS H . 18002 1 353 . 1 1 44 44 CYS HA H 1 4.967 0.03 . 1 . . . A 406 CYS HA . 18002 1 354 . 1 1 44 44 CYS HB2 H 1 2.052 0.03 . 1 . . . A 406 CYS HB2 . 18002 1 355 . 1 1 44 44 CYS HB3 H 1 2.149 0.03 . 1 . . . A 406 CYS HB3 . 18002 1 356 . 1 1 44 44 CYS CA C 13 57.058 0.50 . 1 . . . A 406 CYS CA . 18002 1 357 . 1 1 44 44 CYS CB C 13 29.440 0.50 . 1 . . . A 406 CYS CB . 18002 1 358 . 1 1 44 44 CYS N N 15 120.004 0.25 . 1 . . . A 406 CYS N . 18002 1 359 . 1 1 45 45 TYR H H 1 10.013 0.03 . 1 . . . A 407 TYR H . 18002 1 360 . 1 1 45 45 TYR HA H 1 5.023 0.03 . 1 . . . A 407 TYR HA . 18002 1 361 . 1 1 45 45 TYR HB2 H 1 3.196 0.03 . 2 . . . A 407 TYR HB2 . 18002 1 362 . 1 1 45 45 TYR HB3 H 1 3.196 0.03 . 2 . . . A 407 TYR HB3 . 18002 1 363 . 1 1 45 45 TYR CA C 13 56.983 0.50 . 1 . . . A 407 TYR CA . 18002 1 364 . 1 1 45 45 TYR CB C 13 41.574 0.50 . 1 . . . A 407 TYR CB . 18002 1 365 . 1 1 45 45 TYR N N 15 122.704 0.25 . 1 . . . A 407 TYR N . 18002 1 366 . 1 1 46 46 LYS H H 1 9.734 0.03 . 1 . . . A 408 LYS H . 18002 1 367 . 1 1 46 46 LYS HA H 1 4.346 0.03 . 1 . . . A 408 LYS HA . 18002 1 368 . 1 1 46 46 LYS HB2 H 1 1.843 0.03 . 1 . . . A 408 LYS HB2 . 18002 1 369 . 1 1 46 46 LYS HB3 H 1 2.022 0.03 . 1 . . . A 408 LYS HB3 . 18002 1 370 . 1 1 46 46 LYS HG2 H 1 1.576 0.03 . 2 . . . A 408 LYS HG2 . 18002 1 371 . 1 1 46 46 LYS HG3 H 1 1.576 0.03 . 2 . . . A 408 LYS HG3 . 18002 1 372 . 1 1 46 46 LYS HD2 H 1 1.708 0.03 . 2 . . . A 408 LYS HD2 . 18002 1 373 . 1 1 46 46 LYS HD3 H 1 1.708 0.03 . 2 . . . A 408 LYS HD3 . 18002 1 374 . 1 1 46 46 LYS HE2 H 1 3.084 0.03 . 2 . . . A 408 LYS HE2 . 18002 1 375 . 1 1 46 46 LYS HE3 H 1 3.084 0.03 . 2 . . . A 408 LYS HE3 . 18002 1 376 . 1 1 46 46 LYS CA C 13 60.019 0.50 . 1 . . . A 408 LYS CA . 18002 1 377 . 1 1 46 46 LYS CB C 13 32.712 0.50 . 1 . . . A 408 LYS CB . 18002 1 378 . 1 1 46 46 LYS CG C 13 26.071 0.50 . 1 . . . A 408 LYS CG . 18002 1 379 . 1 1 46 46 LYS CD C 13 28.803 0.50 . 1 . . . A 408 LYS CD . 18002 1 380 . 1 1 46 46 LYS CE C 13 42.034 0.50 . 1 . . . A 408 LYS CE . 18002 1 381 . 1 1 46 46 LYS N N 15 121.897 0.25 . 1 . . . A 408 LYS N . 18002 1 382 . 1 1 47 47 SER H H 1 7.518 0.03 . 1 . . . A 409 SER H . 18002 1 383 . 1 1 47 47 SER HA H 1 4.776 0.03 . 1 . . . A 409 SER HA . 18002 1 384 . 1 1 47 47 SER HB2 H 1 4.118 0.03 . 2 . . . A 409 SER HB2 . 18002 1 385 . 1 1 47 47 SER HB3 H 1 4.118 0.03 . 2 . . . A 409 SER HB3 . 18002 1 386 . 1 1 47 47 SER CA C 13 57.180 0.50 . 1 . . . A 409 SER CA . 18002 1 387 . 1 1 47 47 SER CB C 13 65.870 0.50 . 1 . . . A 409 SER CB . 18002 1 388 . 1 1 47 47 SER N N 15 106.720 0.25 . 1 . . . A 409 SER N . 18002 1 389 . 1 1 48 48 LYS H H 1 8.195 0.03 . 1 . . . A 410 LYS H . 18002 1 390 . 1 1 48 48 LYS HG2 H 1 0.249 0.03 . 2 . . . A 410 LYS HG2 . 18002 1 391 . 1 1 48 48 LYS HG3 H 1 0.249 0.03 . 2 . . . A 410 LYS HG3 . 18002 1 392 . 1 1 48 48 LYS HD2 H 1 0.926 0.03 . 2 . . . A 410 LYS HD2 . 18002 1 393 . 1 1 48 48 LYS HD3 H 1 0.926 0.03 . 2 . . . A 410 LYS HD3 . 18002 1 394 . 1 1 48 48 LYS HE2 H 1 2.502 0.03 . 2 . . . A 410 LYS HE2 . 18002 1 395 . 1 1 48 48 LYS HE3 H 1 2.502 0.03 . 2 . . . A 410 LYS HE3 . 18002 1 396 . 1 1 48 48 LYS CA C 13 59.234 0.50 . 1 . . . A 410 LYS CA . 18002 1 397 . 1 1 48 48 LYS CB C 13 32.299 0.50 . 1 . . . A 410 LYS CB . 18002 1 398 . 1 1 48 48 LYS CG C 13 24.030 0.50 . 1 . . . A 410 LYS CG . 18002 1 399 . 1 1 48 48 LYS CD C 13 28.719 0.50 . 1 . . . A 410 LYS CD . 18002 1 400 . 1 1 48 48 LYS CE C 13 41.870 0.50 . 1 . . . A 410 LYS CE . 18002 1 401 . 1 1 48 48 LYS N N 15 122.302 0.25 . 1 . . . A 410 LYS N . 18002 1 402 . 1 1 49 49 GLU H H 1 8.752 0.03 . 1 . . . A 411 GLU H . 18002 1 403 . 1 1 49 49 GLU HA H 1 4.782 0.03 . 1 . . . A 411 GLU HA . 18002 1 404 . 1 1 49 49 GLU HB2 H 1 1.931 0.03 . 2 . . . A 411 GLU HB2 . 18002 1 405 . 1 1 49 49 GLU HB3 H 1 1.931 0.03 . 2 . . . A 411 GLU HB3 . 18002 1 406 . 1 1 49 49 GLU HG2 H 1 2.102 0.03 . 1 . . . A 411 GLU HG2 . 18002 1 407 . 1 1 49 49 GLU HG3 H 1 2.388 0.03 . 1 . . . A 411 GLU HG3 . 18002 1 408 . 1 1 49 49 GLU CA C 13 59.535 0.50 . 1 . . . A 411 GLU CA . 18002 1 409 . 1 1 49 49 GLU CB C 13 28.688 0.50 . 1 . . . A 411 GLU CB . 18002 1 410 . 1 1 49 49 GLU CG C 13 37.527 0.50 . 1 . . . A 411 GLU CG . 18002 1 411 . 1 1 49 49 GLU N N 15 118.983 0.25 . 1 . . . A 411 GLU N . 18002 1 412 . 1 1 50 50 GLU H H 1 7.234 0.03 . 1 . . . A 412 GLU H . 18002 1 413 . 1 1 50 50 GLU HA H 1 4.493 0.03 . 1 . . . A 412 GLU HA . 18002 1 414 . 1 1 50 50 GLU HB2 H 1 1.850 0.03 . 2 . . . A 412 GLU HB2 . 18002 1 415 . 1 1 50 50 GLU HB3 H 1 1.850 0.03 . 2 . . . A 412 GLU HB3 . 18002 1 416 . 1 1 50 50 GLU HG2 H 1 2.173 0.03 . 1 . . . A 412 GLU HG2 . 18002 1 417 . 1 1 50 50 GLU HG3 H 1 2.517 0.03 . 1 . . . A 412 GLU HG3 . 18002 1 418 . 1 1 50 50 GLU CA C 13 55.789 0.50 . 1 . . . A 412 GLU CA . 18002 1 419 . 1 1 50 50 GLU CB C 13 30.005 0.50 . 1 . . . A 412 GLU CB . 18002 1 420 . 1 1 50 50 GLU CG C 13 37.139 0.50 . 1 . . . A 412 GLU CG . 18002 1 421 . 1 1 50 50 GLU N N 15 118.384 0.25 . 1 . . . A 412 GLU N . 18002 1 422 . 1 1 51 51 SER H H 1 7.382 0.03 . 1 . . . A 413 SER H . 18002 1 423 . 1 1 51 51 SER HB2 H 1 3.336 0.03 . 2 . . . A 413 SER HB2 . 18002 1 424 . 1 1 51 51 SER HB3 H 1 3.336 0.03 . 2 . . . A 413 SER HB3 . 18002 1 425 . 1 1 51 51 SER CA C 13 59.764 0.50 . 1 . . . A 413 SER CA . 18002 1 426 . 1 1 51 51 SER CB C 13 62.965 0.50 . 1 . . . A 413 SER CB . 18002 1 427 . 1 1 51 51 SER N N 15 114.767 0.25 . 1 . . . A 413 SER N . 18002 1 428 . 1 1 52 52 SER H H 1 7.682 0.03 . 1 . . . A 414 SER H . 18002 1 429 . 1 1 52 52 SER HA H 1 4.560 0.03 . 1 . . . A 414 SER HA . 18002 1 430 . 1 1 52 52 SER HB2 H 1 3.781 0.03 . 2 . . . A 414 SER HB2 . 18002 1 431 . 1 1 52 52 SER HB3 H 1 3.781 0.03 . 2 . . . A 414 SER HB3 . 18002 1 432 . 1 1 52 52 SER CA C 13 58.574 0.50 . 1 . . . A 414 SER CA . 18002 1 433 . 1 1 52 52 SER CB C 13 63.829 0.50 . 1 . . . A 414 SER CB . 18002 1 434 . 1 1 52 52 SER N N 15 114.496 0.25 . 1 . . . A 414 SER N . 18002 1 435 . 1 1 53 53 GLY H H 1 7.918 0.03 . 1 . . . A 415 GLY H . 18002 1 436 . 1 1 53 53 GLY HA2 H 1 3.847 0.03 . 1 . . . A 415 GLY HA2 . 18002 1 437 . 1 1 53 53 GLY HA3 H 1 4.433 0.03 . 1 . . . A 415 GLY HA3 . 18002 1 438 . 1 1 53 53 GLY CA C 13 44.233 0.50 . 1 . . . A 415 GLY CA . 18002 1 439 . 1 1 53 53 GLY N N 15 111.107 0.25 . 1 . . . A 415 GLY N . 18002 1 440 . 1 1 54 54 THR H H 1 8.622 0.03 . 1 . . . A 416 THR H . 18002 1 441 . 1 1 54 54 THR CB C 13 70.035 0.50 . 1 . . . A 416 THR CB . 18002 1 442 . 1 1 54 54 THR N N 15 120.214 0.25 . 1 . . . A 416 THR N . 18002 1 443 . 1 1 55 55 PRO HA H 1 4.475 0.03 . 1 . . . A 417 PRO HA . 18002 1 444 . 1 1 55 55 PRO HB2 H 1 1.210 0.03 . 1 . . . A 417 PRO HB2 . 18002 1 445 . 1 1 55 55 PRO HB3 H 1 1.793 0.03 . 1 . . . A 417 PRO HB3 . 18002 1 446 . 1 1 55 55 PRO HG2 H 1 1.456 0.03 . 2 . . . A 417 PRO HG2 . 18002 1 447 . 1 1 55 55 PRO HG3 H 1 1.456 0.03 . 2 . . . A 417 PRO HG3 . 18002 1 448 . 1 1 55 55 PRO HD2 H 1 3.985 0.03 . 2 . . . A 417 PRO HD2 . 18002 1 449 . 1 1 55 55 PRO HD3 H 1 3.985 0.03 . 2 . . . A 417 PRO HD3 . 18002 1 450 . 1 1 55 55 PRO CA C 13 63.045 0.50 . 1 . . . A 417 PRO CA . 18002 1 451 . 1 1 55 55 PRO CB C 13 31.578 0.50 . 1 . . . A 417 PRO CB . 18002 1 452 . 1 1 55 55 PRO CG C 13 26.495 0.50 . 1 . . . A 417 PRO CG . 18002 1 453 . 1 1 55 55 PRO CD C 13 51.316 0.50 . 1 . . . A 417 PRO CD . 18002 1 454 . 1 1 56 56 ALA H H 1 8.288 0.03 . 1 . . . A 418 ALA H . 18002 1 455 . 1 1 56 56 ALA HA H 1 3.956 0.03 . 1 . . . A 418 ALA HA . 18002 1 456 . 1 1 56 56 ALA CA C 13 54.535 0.50 . 1 . . . A 418 ALA CA . 18002 1 457 . 1 1 56 56 ALA CB C 13 18.907 0.50 . 1 . . . A 418 ALA CB . 18002 1 458 . 1 1 56 56 ALA N N 15 125.591 0.25 . 1 . . . A 418 ALA N . 18002 1 459 . 1 1 57 57 HIS H H 1 7.072 0.03 . 1 . . . A 419 HIS H . 18002 1 460 . 1 1 57 57 HIS HA H 1 4.622 0.03 . 1 . . . A 419 HIS HA . 18002 1 461 . 1 1 57 57 HIS HB2 H 1 2.269 0.03 . 1 . . . A 419 HIS HB2 . 18002 1 462 . 1 1 57 57 HIS HB3 H 1 2.864 0.03 . 1 . . . A 419 HIS HB3 . 18002 1 463 . 1 1 57 57 HIS CA C 13 54.580 0.50 . 1 . . . A 419 HIS CA . 18002 1 464 . 1 1 57 57 HIS CB C 13 34.219 0.50 . 1 . . . A 419 HIS CB . 18002 1 465 . 1 1 57 57 HIS N N 15 108.119 0.25 . 1 . . . A 419 HIS N . 18002 1 466 . 1 1 58 58 GLN H H 1 8.669 0.03 . 1 . . . A 420 GLN H . 18002 1 467 . 1 1 58 58 GLN HA H 1 5.155 0.03 . 1 . . . A 420 GLN HA . 18002 1 468 . 1 1 58 58 GLN HB2 H 1 1.881 0.03 . 1 . . . A 420 GLN HB2 . 18002 1 469 . 1 1 58 58 GLN HB3 H 1 1.748 0.03 . 1 . . . A 420 GLN HB3 . 18002 1 470 . 1 1 58 58 GLN HG2 H 1 2.167 0.03 . 1 . . . A 420 GLN HG2 . 18002 1 471 . 1 1 58 58 GLN HG3 H 1 2.041 0.03 . 1 . . . A 420 GLN HG3 . 18002 1 472 . 1 1 58 58 GLN CA C 13 55.504 0.50 . 1 . . . A 420 GLN CA . 18002 1 473 . 1 1 58 58 GLN CB C 13 32.490 0.50 . 1 . . . A 420 GLN CB . 18002 1 474 . 1 1 58 58 GLN CG C 13 33.785 0.50 . 1 . . . A 420 GLN CG . 18002 1 475 . 1 1 58 58 GLN N N 15 123.083 0.25 . 1 . . . A 420 GLN N . 18002 1 476 . 1 1 59 59 MET H H 1 8.995 0.03 . 1 . . . A 421 MET H . 18002 1 477 . 1 1 59 59 MET HA H 1 4.621 0.03 . 1 . . . A 421 MET HA . 18002 1 478 . 1 1 59 59 MET HB2 H 1 1.773 0.03 . 1 . . . A 421 MET HB2 . 18002 1 479 . 1 1 59 59 MET HB3 H 1 2.233 0.03 . 1 . . . A 421 MET HB3 . 18002 1 480 . 1 1 59 59 MET HG2 H 1 2.400 0.03 . 2 . . . A 421 MET HG2 . 18002 1 481 . 1 1 59 59 MET HG3 H 1 2.400 0.03 . 2 . . . A 421 MET HG3 . 18002 1 482 . 1 1 59 59 MET CA C 13 54.892 0.50 . 1 . . . A 421 MET CA . 18002 1 483 . 1 1 59 59 MET CB C 13 35.650 0.50 . 1 . . . A 421 MET CB . 18002 1 484 . 1 1 59 59 MET CG C 13 32.085 0.50 . 1 . . . A 421 MET CG . 18002 1 485 . 1 1 59 59 MET N N 15 122.330 0.25 . 1 . . . A 421 MET N . 18002 1 486 . 1 1 60 60 ASN H H 1 8.728 0.03 . 1 . . . A 422 ASN H . 18002 1 487 . 1 1 60 60 ASN HA H 1 4.948 0.03 . 1 . . . A 422 ASN HA . 18002 1 488 . 1 1 60 60 ASN HB2 H 1 2.536 0.03 . 1 . . . A 422 ASN HB2 . 18002 1 489 . 1 1 60 60 ASN HB3 H 1 2.913 0.03 . 1 . . . A 422 ASN HB3 . 18002 1 490 . 1 1 60 60 ASN CA C 13 52.631 0.50 . 1 . . . A 422 ASN CA . 18002 1 491 . 1 1 60 60 ASN CB C 13 38.739 0.50 . 1 . . . A 422 ASN CB . 18002 1 492 . 1 1 60 60 ASN N N 15 123.220 0.25 . 1 . . . A 422 ASN N . 18002 1 493 . 1 1 61 61 LEU H H 1 8.942 0.03 . 1 . . . A 423 LEU H . 18002 1 494 . 1 1 61 61 LEU HA H 1 4.116 0.03 . 1 . . . A 423 LEU HA . 18002 1 495 . 1 1 61 61 LEU HB2 H 1 1.793 0.03 . 2 . . . A 423 LEU HB2 . 18002 1 496 . 1 1 61 61 LEU HB3 H 1 1.793 0.03 . 2 . . . A 423 LEU HB3 . 18002 1 497 . 1 1 61 61 LEU HG H 1 1.564 0.03 . 1 . . . A 423 LEU HG . 18002 1 498 . 1 1 61 61 LEU HD11 H 1 0.876 0.03 . 1 . . . A 423 LEU HD11 . 18002 1 499 . 1 1 61 61 LEU HD12 H 1 0.876 0.03 . 1 . . . A 423 LEU HD12 . 18002 1 500 . 1 1 61 61 LEU HD13 H 1 0.876 0.03 . 1 . . . A 423 LEU HD13 . 18002 1 501 . 1 1 61 61 LEU HD21 H 1 0.876 0.03 . 1 . . . A 423 LEU HD21 . 18002 1 502 . 1 1 61 61 LEU HD22 H 1 0.876 0.03 . 1 . . . A 423 LEU HD22 . 18002 1 503 . 1 1 61 61 LEU HD23 H 1 0.876 0.03 . 1 . . . A 423 LEU HD23 . 18002 1 504 . 1 1 61 61 LEU CA C 13 56.613 0.50 . 1 . . . A 423 LEU CA . 18002 1 505 . 1 1 61 61 LEU CB C 13 42.457 0.50 . 1 . . . A 423 LEU CB . 18002 1 506 . 1 1 61 61 LEU CG C 13 30.475 0.50 . 1 . . . A 423 LEU CG . 18002 1 507 . 1 1 61 61 LEU N N 15 126.072 0.25 . 1 . . . A 423 LEU N . 18002 1 508 . 1 1 62 62 ARG H H 1 8.000 0.03 . 1 . . . A 424 ARG H . 18002 1 509 . 1 1 62 62 ARG HA H 1 4.372 0.03 . 1 . . . A 424 ARG HA . 18002 1 510 . 1 1 62 62 ARG HB2 H 1 1.577 0.03 . 2 . . . A 424 ARG HB2 . 18002 1 511 . 1 1 62 62 ARG HB3 H 1 1.577 0.03 . 2 . . . A 424 ARG HB3 . 18002 1 512 . 1 1 62 62 ARG HG2 H 1 1.708 0.03 . 2 . . . A 424 ARG HG2 . 18002 1 513 . 1 1 62 62 ARG HG3 H 1 1.708 0.03 . 2 . . . A 424 ARG HG3 . 18002 1 514 . 1 1 62 62 ARG HD2 H 1 3.211 0.03 . 2 . . . A 424 ARG HD2 . 18002 1 515 . 1 1 62 62 ARG HD3 H 1 3.211 0.03 . 2 . . . A 424 ARG HD3 . 18002 1 516 . 1 1 62 62 ARG CA C 13 59.034 0.50 . 1 . . . A 424 ARG CA . 18002 1 517 . 1 1 62 62 ARG CB C 13 29.610 0.50 . 1 . . . A 424 ARG CB . 18002 1 518 . 1 1 62 62 ARG CG C 13 27.980 0.50 . 1 . . . A 424 ARG CG . 18002 1 519 . 1 1 62 62 ARG CD C 13 43.527 0.50 . 1 . . . A 424 ARG CD . 18002 1 520 . 1 1 62 62 ARG N N 15 121.977 0.25 . 1 . . . A 424 ARG N . 18002 1 521 . 1 1 63 63 GLY H H 1 9.033 0.03 . 1 . . . A 425 GLY H . 18002 1 522 . 1 1 63 63 GLY HA2 H 1 3.869 0.03 . 2 . . . A 425 GLY HA2 . 18002 1 523 . 1 1 63 63 GLY HA3 H 1 3.869 0.03 . 2 . . . A 425 GLY HA3 . 18002 1 524 . 1 1 63 63 GLY CA C 13 45.810 0.50 . 1 . . . A 425 GLY CA . 18002 1 525 . 1 1 63 63 GLY N N 15 114.852 0.25 . 1 . . . A 425 GLY N . 18002 1 526 . 1 1 64 64 CYS H H 1 8.248 0.03 . 1 . . . A 426 CYS H . 18002 1 527 . 1 1 64 64 CYS HA H 1 4.899 0.03 . 1 . . . A 426 CYS HA . 18002 1 528 . 1 1 64 64 CYS HB2 H 1 2.816 0.03 . 1 . . . A 426 CYS HB2 . 18002 1 529 . 1 1 64 64 CYS HB3 H 1 3.362 0.03 . 1 . . . A 426 CYS HB3 . 18002 1 530 . 1 1 64 64 CYS CA C 13 57.760 0.50 . 1 . . . A 426 CYS CA . 18002 1 531 . 1 1 64 64 CYS CB C 13 28.824 0.50 . 1 . . . A 426 CYS CB . 18002 1 532 . 1 1 64 64 CYS N N 15 117.102 0.25 . 1 . . . A 426 CYS N . 18002 1 533 . 1 1 65 65 GLU H H 1 8.449 0.03 . 1 . . . A 427 GLU H . 18002 1 534 . 1 1 65 65 GLU HA H 1 4.777 0.03 . 1 . . . A 427 GLU HA . 18002 1 535 . 1 1 65 65 GLU HB2 H 1 1.923 0.03 . 2 . . . A 427 GLU HB2 . 18002 1 536 . 1 1 65 65 GLU HB3 H 1 1.923 0.03 . 2 . . . A 427 GLU HB3 . 18002 1 537 . 1 1 65 65 GLU HG2 H 1 2.206 0.03 . 1 . . . A 427 GLU HG2 . 18002 1 538 . 1 1 65 65 GLU HG3 H 1 2.049 0.03 . 1 . . . A 427 GLU HG3 . 18002 1 539 . 1 1 65 65 GLU CA C 13 55.391 0.50 . 1 . . . A 427 GLU CA . 18002 1 540 . 1 1 65 65 GLU CB C 13 31.938 0.50 . 1 . . . A 427 GLU CB . 18002 1 541 . 1 1 65 65 GLU CG C 13 35.853 0.50 . 1 . . . A 427 GLU CG . 18002 1 542 . 1 1 65 65 GLU N N 15 119.501 0.25 . 1 . . . A 427 GLU N . 18002 1 543 . 1 1 66 66 VAL H H 1 8.624 0.03 . 1 . . . A 428 VAL H . 18002 1 544 . 1 1 66 66 VAL HA H 1 4.890 0.03 . 1 . . . A 428 VAL HA . 18002 1 545 . 1 1 66 66 VAL HB H 1 1.907 0.03 . 1 . . . A 428 VAL HB . 18002 1 546 . 1 1 66 66 VAL HG11 H 1 0.753 0.03 . 1 . . . A 428 VAL HG11 . 18002 1 547 . 1 1 66 66 VAL HG12 H 1 0.753 0.03 . 1 . . . A 428 VAL HG12 . 18002 1 548 . 1 1 66 66 VAL HG13 H 1 0.753 0.03 . 1 . . . A 428 VAL HG13 . 18002 1 549 . 1 1 66 66 VAL HG21 H 1 0.753 0.03 . 1 . . . A 428 VAL HG21 . 18002 1 550 . 1 1 66 66 VAL HG22 H 1 0.753 0.03 . 1 . . . A 428 VAL HG22 . 18002 1 551 . 1 1 66 66 VAL HG23 H 1 0.753 0.03 . 1 . . . A 428 VAL HG23 . 18002 1 552 . 1 1 66 66 VAL CA C 13 60.752 0.50 . 1 . . . A 428 VAL CA . 18002 1 553 . 1 1 66 66 VAL CB C 13 33.975 0.50 . 1 . . . A 428 VAL CB . 18002 1 554 . 1 1 66 66 VAL N N 15 125.286 0.25 . 1 . . . A 428 VAL N . 18002 1 555 . 1 1 67 67 THR H H 1 9.247 0.03 . 1 . . . A 429 THR H . 18002 1 556 . 1 1 67 67 THR CA C 13 59.338 0.50 . 1 . . . A 429 THR CA . 18002 1 557 . 1 1 67 67 THR CB C 13 72.021 0.50 . 1 . . . A 429 THR CB . 18002 1 558 . 1 1 67 67 THR N N 15 124.132 0.25 . 1 . . . A 429 THR N . 18002 1 559 . 1 1 68 68 PRO HA H 1 4.649 0.03 . 1 . . . A 430 PRO HA . 18002 1 560 . 1 1 68 68 PRO HB2 H 1 2.171 0.03 . 1 . . . A 430 PRO HB2 . 18002 1 561 . 1 1 68 68 PRO HB3 H 1 2.014 0.03 . 1 . . . A 430 PRO HB3 . 18002 1 562 . 1 1 68 68 PRO HG2 H 1 2.529 0.03 . 2 . . . A 430 PRO HG2 . 18002 1 563 . 1 1 68 68 PRO HG3 H 1 2.529 0.03 . 2 . . . A 430 PRO HG3 . 18002 1 564 . 1 1 68 68 PRO CA C 13 62.738 0.50 . 1 . . . A 430 PRO CA . 18002 1 565 . 1 1 68 68 PRO CB C 13 33.568 0.50 . 1 . . . A 430 PRO CB . 18002 1 566 . 1 1 68 68 PRO CG C 13 26.441 0.50 . 1 . . . A 430 PRO CG . 18002 1 567 . 1 1 68 68 PRO CD C 13 51.329 0.50 . 1 . . . A 430 PRO CD . 18002 1 568 . 1 1 69 69 ASP H H 1 8.250 0.03 . 1 . . . A 431 ASP H . 18002 1 569 . 1 1 69 69 ASP HA H 1 4.647 0.03 . 1 . . . A 431 ASP HA . 18002 1 570 . 1 1 69 69 ASP HB2 H 1 2.250 0.03 . 1 . . . A 431 ASP HB2 . 18002 1 571 . 1 1 69 69 ASP HB3 H 1 2.442 0.03 . 1 . . . A 431 ASP HB3 . 18002 1 572 . 1 1 69 69 ASP CA C 13 54.669 0.50 . 1 . . . A 431 ASP CA . 18002 1 573 . 1 1 69 69 ASP CB C 13 42.105 0.50 . 1 . . . A 431 ASP CB . 18002 1 574 . 1 1 69 69 ASP N N 15 122.066 0.25 . 1 . . . A 431 ASP N . 18002 1 575 . 1 1 70 70 VAL H H 1 8.305 0.03 . 1 . . . A 432 VAL H . 18002 1 576 . 1 1 70 70 VAL HA H 1 4.499 0.03 . 1 . . . A 432 VAL HA . 18002 1 577 . 1 1 70 70 VAL HB H 1 1.779 0.03 . 1 . . . A 432 VAL HB . 18002 1 578 . 1 1 70 70 VAL HG11 H 1 0.697 0.03 . 1 . . . A 432 VAL HG11 . 18002 1 579 . 1 1 70 70 VAL HG12 H 1 0.697 0.03 . 1 . . . A 432 VAL HG12 . 18002 1 580 . 1 1 70 70 VAL HG13 H 1 0.697 0.03 . 1 . . . A 432 VAL HG13 . 18002 1 581 . 1 1 70 70 VAL HG21 H 1 0.697 0.03 . 1 . . . A 432 VAL HG21 . 18002 1 582 . 1 1 70 70 VAL HG22 H 1 0.697 0.03 . 1 . . . A 432 VAL HG22 . 18002 1 583 . 1 1 70 70 VAL HG23 H 1 0.697 0.03 . 1 . . . A 432 VAL HG23 . 18002 1 584 . 1 1 70 70 VAL CA C 13 60.088 0.50 . 1 . . . A 432 VAL CA . 18002 1 585 . 1 1 70 70 VAL CB C 13 35.032 0.50 . 1 . . . A 432 VAL CB . 18002 1 586 . 1 1 70 70 VAL N N 15 121.874 0.25 . 1 . . . A 432 VAL N . 18002 1 587 . 1 1 71 71 ASN H H 1 8.637 0.03 . 1 . . . A 433 ASN H . 18002 1 588 . 1 1 71 71 ASN HA H 1 4.682 0.03 . 1 . . . A 433 ASN HA . 18002 1 589 . 1 1 71 71 ASN HB2 H 1 2.592 0.03 . 2 . . . A 433 ASN HB2 . 18002 1 590 . 1 1 71 71 ASN HB3 H 1 2.592 0.03 . 2 . . . A 433 ASN HB3 . 18002 1 591 . 1 1 71 71 ASN CA C 13 52.761 0.50 . 1 . . . A 433 ASN CA . 18002 1 592 . 1 1 71 71 ASN CB C 13 40.279 0.50 . 1 . . . A 433 ASN CB . 18002 1 593 . 1 1 71 71 ASN N N 15 124.366 0.25 . 1 . . . A 433 ASN N . 18002 1 594 . 1 1 72 72 ILE H H 1 8.943 0.03 . 1 . . . A 434 ILE H . 18002 1 595 . 1 1 72 72 ILE HA H 1 3.371 0.03 . 1 . . . A 434 ILE HA . 18002 1 596 . 1 1 72 72 ILE HB H 1 1.788 0.03 . 1 . . . A 434 ILE HB . 18002 1 597 . 1 1 72 72 ILE HG12 H 1 1.211 0.03 . 1 . . . A 434 ILE HG12 . 18002 1 598 . 1 1 72 72 ILE HG13 H 1 1.426 0.03 . 1 . . . A 434 ILE HG13 . 18002 1 599 . 1 1 72 72 ILE CA C 13 64.518 0.50 . 1 . . . A 434 ILE CA . 18002 1 600 . 1 1 72 72 ILE CB C 13 37.175 0.50 . 1 . . . A 434 ILE CB . 18002 1 601 . 1 1 72 72 ILE CG1 C 13 28.263 0.50 . 1 . . . A 434 ILE CG1 . 18002 1 602 . 1 1 72 72 ILE CG2 C 13 17.493 0.50 . 1 . . . A 434 ILE CG2 . 18002 1 603 . 1 1 72 72 ILE CD1 C 13 12.733 0.50 . 1 . . . A 434 ILE CD1 . 18002 1 604 . 1 1 72 72 ILE N N 15 126.786 0.25 . 1 . . . A 434 ILE N . 18002 1 605 . 1 1 73 73 SER H H 1 8.578 0.03 . 1 . . . A 435 SER H . 18002 1 606 . 1 1 73 73 SER HB2 H 1 4.150 0.03 . 2 . . . A 435 SER HB2 . 18002 1 607 . 1 1 73 73 SER HB3 H 1 4.150 0.03 . 2 . . . A 435 SER HB3 . 18002 1 608 . 1 1 73 73 SER CA C 13 61.633 0.50 . 1 . . . A 435 SER CA . 18002 1 609 . 1 1 73 73 SER CB C 13 62.435 0.50 . 1 . . . A 435 SER CB . 18002 1 610 . 1 1 73 73 SER N N 15 118.305 0.25 . 1 . . . A 435 SER N . 18002 1 611 . 1 1 74 74 GLY H H 1 7.620 0.03 . 1 . . . A 436 GLY H . 18002 1 612 . 1 1 74 74 GLY HA2 H 1 4.144 0.03 . 1 . . . A 436 GLY HA2 . 18002 1 613 . 1 1 74 74 GLY HA3 H 1 3.265 0.03 . 1 . . . A 436 GLY HA3 . 18002 1 614 . 1 1 74 74 GLY CA C 13 44.861 0.50 . 1 . . . A 436 GLY CA . 18002 1 615 . 1 1 74 74 GLY N N 15 107.443 0.25 . 1 . . . A 436 GLY N . 18002 1 616 . 1 1 75 75 GLN H H 1 7.798 0.03 . 1 . . . A 437 GLN H . 18002 1 617 . 1 1 75 75 GLN HA H 1 3.290 0.03 . 1 . . . A 437 GLN HA . 18002 1 618 . 1 1 75 75 GLN HB2 H 1 2.124 0.03 . 2 . . . A 437 GLN HB2 . 18002 1 619 . 1 1 75 75 GLN HB3 H 1 2.124 0.03 . 2 . . . A 437 GLN HB3 . 18002 1 620 . 1 1 75 75 GLN HG2 H 1 2.297 0.03 . 2 . . . A 437 GLN HG2 . 18002 1 621 . 1 1 75 75 GLN HG3 H 1 2.297 0.03 . 2 . . . A 437 GLN HG3 . 18002 1 622 . 1 1 75 75 GLN CA C 13 56.701 0.50 . 1 . . . A 437 GLN CA . 18002 1 623 . 1 1 75 75 GLN CB C 13 26.745 0.50 . 1 . . . A 437 GLN CB . 18002 1 624 . 1 1 75 75 GLN CG C 13 30.243 0.50 . 1 . . . A 437 GLN CG . 18002 1 625 . 1 1 75 75 GLN N N 15 116.895 0.25 . 1 . . . A 437 GLN N . 18002 1 626 . 1 1 76 76 LYS H H 1 7.522 0.03 . 1 . . . A 438 LYS H . 18002 1 627 . 1 1 76 76 LYS HA H 1 4.142 0.03 . 1 . . . A 438 LYS HA . 18002 1 628 . 1 1 76 76 LYS HB2 H 1 1.347 0.03 . 2 . . . A 438 LYS HB2 . 18002 1 629 . 1 1 76 76 LYS HB3 H 1 1.347 0.03 . 2 . . . A 438 LYS HB3 . 18002 1 630 . 1 1 76 76 LYS HG2 H 1 0.991 0.03 . 2 . . . A 438 LYS HG2 . 18002 1 631 . 1 1 76 76 LYS HG3 H 1 0.991 0.03 . 2 . . . A 438 LYS HG3 . 18002 1 632 . 1 1 76 76 LYS HD2 H 1 1.134 0.03 . 2 . . . A 438 LYS HD2 . 18002 1 633 . 1 1 76 76 LYS HD3 H 1 1.134 0.03 . 2 . . . A 438 LYS HD3 . 18002 1 634 . 1 1 76 76 LYS HE2 H 1 2.638 0.03 . 1 . . . A 438 LYS HE2 . 18002 1 635 . 1 1 76 76 LYS HE3 H 1 2.479 0.03 . 1 . . . A 438 LYS HE3 . 18002 1 636 . 1 1 76 76 LYS CA C 13 55.043 0.50 . 1 . . . A 438 LYS CA . 18002 1 637 . 1 1 76 76 LYS CB C 13 33.945 0.50 . 1 . . . A 438 LYS CB . 18002 1 638 . 1 1 76 76 LYS CG C 13 24.388 0.50 . 1 . . . A 438 LYS CG . 18002 1 639 . 1 1 76 76 LYS CD C 13 28.786 0.50 . 1 . . . A 438 LYS CD . 18002 1 640 . 1 1 76 76 LYS CE C 13 41.910 0.50 . 1 . . . A 438 LYS CE . 18002 1 641 . 1 1 76 76 LYS N N 15 119.308 0.25 . 1 . . . A 438 LYS N . 18002 1 642 . 1 1 77 77 PHE H H 1 8.461 0.03 . 1 . . . A 439 PHE H . 18002 1 643 . 1 1 77 77 PHE HA H 1 4.211 0.03 . 1 . . . A 439 PHE HA . 18002 1 644 . 1 1 77 77 PHE HB2 H 1 2.494 0.03 . 1 . . . A 439 PHE HB2 . 18002 1 645 . 1 1 77 77 PHE HB3 H 1 2.811 0.03 . 1 . . . A 439 PHE HB3 . 18002 1 646 . 1 1 77 77 PHE CA C 13 55.639 0.50 . 1 . . . A 439 PHE CA . 18002 1 647 . 1 1 77 77 PHE CB C 13 38.929 0.50 . 1 . . . A 439 PHE CB . 18002 1 648 . 1 1 77 77 PHE N N 15 125.905 0.25 . 1 . . . A 439 PHE N . 18002 1 649 . 1 1 78 78 ASN H H 1 7.638 0.03 . 1 . . . A 440 ASN H . 18002 1 650 . 1 1 78 78 ASN CA C 13 51.913 0.50 . 1 . . . A 440 ASN CA . 18002 1 651 . 1 1 78 78 ASN CB C 13 40.803 0.50 . 1 . . . A 440 ASN CB . 18002 1 652 . 1 1 78 78 ASN N N 15 120.787 0.25 . 1 . . . A 440 ASN N . 18002 1 653 . 1 1 79 79 ILE H H 1 9.550 0.03 . 1 . . . A 441 ILE H . 18002 1 654 . 1 1 79 79 ILE HA H 1 4.171 0.03 . 1 . . . A 441 ILE HA . 18002 1 655 . 1 1 79 79 ILE HB H 1 1.916 0.03 . 1 . . . A 441 ILE HB . 18002 1 656 . 1 1 79 79 ILE CA C 13 61.567 0.50 . 1 . . . A 441 ILE CA . 18002 1 657 . 1 1 79 79 ILE CB C 13 41.487 0.50 . 1 . . . A 441 ILE CB . 18002 1 658 . 1 1 79 79 ILE CG1 C 13 28.097 0.50 . 1 . . . A 441 ILE CG1 . 18002 1 659 . 1 1 79 79 ILE CG2 C 13 17.990 0.50 . 1 . . . A 441 ILE CG2 . 18002 1 660 . 1 1 79 79 ILE CD1 C 13 14.497 0.50 . 1 . . . A 441 ILE CD1 . 18002 1 661 . 1 1 79 79 ILE N N 15 123.421 0.25 . 1 . . . A 441 ILE N . 18002 1 662 . 1 1 80 80 LYS H H 1 8.703 0.03 . 1 . . . A 442 LYS H . 18002 1 663 . 1 1 80 80 LYS HA H 1 4.462 0.03 . 1 . . . A 442 LYS HA . 18002 1 664 . 1 1 80 80 LYS HB2 H 1 1.401 0.03 . 1 . . . A 442 LYS HB2 . 18002 1 665 . 1 1 80 80 LYS HB3 H 1 1.966 0.03 . 1 . . . A 442 LYS HB3 . 18002 1 666 . 1 1 80 80 LYS HG2 H 1 1.104 0.03 . 2 . . . A 442 LYS HG2 . 18002 1 667 . 1 1 80 80 LYS HG3 H 1 1.104 0.03 . 2 . . . A 442 LYS HG3 . 18002 1 668 . 1 1 80 80 LYS HD2 H 1 1.241 0.03 . 2 . . . A 442 LYS HD2 . 18002 1 669 . 1 1 80 80 LYS HD3 H 1 1.241 0.03 . 2 . . . A 442 LYS HD3 . 18002 1 670 . 1 1 80 80 LYS HE2 H 1 2.436 0.03 . 2 . . . A 442 LYS HE2 . 18002 1 671 . 1 1 80 80 LYS HE3 H 1 2.436 0.03 . 2 . . . A 442 LYS HE3 . 18002 1 672 . 1 1 80 80 LYS CA C 13 56.383 0.50 . 1 . . . A 442 LYS CA . 18002 1 673 . 1 1 80 80 LYS CB C 13 32.987 0.50 . 1 . . . A 442 LYS CB . 18002 1 674 . 1 1 80 80 LYS CG C 13 24.106 0.50 . 1 . . . A 442 LYS CG . 18002 1 675 . 1 1 80 80 LYS CD C 13 29.918 0.50 . 1 . . . A 442 LYS CD . 18002 1 676 . 1 1 80 80 LYS CE C 13 41.611 0.50 . 1 . . . A 442 LYS CE . 18002 1 677 . 1 1 80 80 LYS N N 15 126.267 0.25 . 1 . . . A 442 LYS N . 18002 1 678 . 1 1 81 81 LEU H H 1 9.223 0.03 . 1 . . . A 443 LEU H . 18002 1 679 . 1 1 81 81 LEU HA H 1 5.272 0.03 . 1 . . . A 443 LEU HA . 18002 1 680 . 1 1 81 81 LEU HB2 H 1 1.679 0.03 . 2 . . . A 443 LEU HB2 . 18002 1 681 . 1 1 81 81 LEU HB3 H 1 1.679 0.03 . 2 . . . A 443 LEU HB3 . 18002 1 682 . 1 1 81 81 LEU HD11 H 1 0.919 0.03 . 1 . . . A 443 LEU HD11 . 18002 1 683 . 1 1 81 81 LEU HD12 H 1 0.919 0.03 . 1 . . . A 443 LEU HD12 . 18002 1 684 . 1 1 81 81 LEU HD13 H 1 0.919 0.03 . 1 . . . A 443 LEU HD13 . 18002 1 685 . 1 1 81 81 LEU HD21 H 1 0.919 0.03 . 1 . . . A 443 LEU HD21 . 18002 1 686 . 1 1 81 81 LEU HD22 H 1 0.919 0.03 . 1 . . . A 443 LEU HD22 . 18002 1 687 . 1 1 81 81 LEU HD23 H 1 0.919 0.03 . 1 . . . A 443 LEU HD23 . 18002 1 688 . 1 1 81 81 LEU CA C 13 53.349 0.50 . 1 . . . A 443 LEU CA . 18002 1 689 . 1 1 81 81 LEU CB C 13 44.704 0.50 . 1 . . . A 443 LEU CB . 18002 1 690 . 1 1 81 81 LEU N N 15 125.194 0.25 . 1 . . . A 443 LEU N . 18002 1 691 . 1 1 82 82 LEU H H 1 8.420 0.03 . 1 . . . A 444 LEU H . 18002 1 692 . 1 1 82 82 LEU HA H 1 5.014 0.03 . 1 . . . A 444 LEU HA . 18002 1 693 . 1 1 82 82 LEU HG H 1 1.509 0.03 . 1 . . . A 444 LEU HG . 18002 1 694 . 1 1 82 82 LEU HD11 H 1 0.813 0.03 . 1 . . . A 444 LEU HD11 . 18002 1 695 . 1 1 82 82 LEU HD12 H 1 0.813 0.03 . 1 . . . A 444 LEU HD12 . 18002 1 696 . 1 1 82 82 LEU HD13 H 1 0.813 0.03 . 1 . . . A 444 LEU HD13 . 18002 1 697 . 1 1 82 82 LEU HD21 H 1 0.813 0.03 . 1 . . . A 444 LEU HD21 . 18002 1 698 . 1 1 82 82 LEU HD22 H 1 0.813 0.03 . 1 . . . A 444 LEU HD22 . 18002 1 699 . 1 1 82 82 LEU HD23 H 1 0.813 0.03 . 1 . . . A 444 LEU HD23 . 18002 1 700 . 1 1 82 82 LEU CA C 13 53.918 0.50 . 1 . . . A 444 LEU CA . 18002 1 701 . 1 1 82 82 LEU CB C 13 43.624 0.50 . 1 . . . A 444 LEU CB . 18002 1 702 . 1 1 82 82 LEU CG C 13 27.247 0.50 . 1 . . . A 444 LEU CG . 18002 1 703 . 1 1 82 82 LEU N N 15 122.753 0.25 . 1 . . . A 444 LEU N . 18002 1 704 . 1 1 83 83 ILE H H 1 9.010 0.03 . 1 . . . A 445 ILE H . 18002 1 705 . 1 1 83 83 ILE CA C 13 58.285 0.50 . 1 . . . A 445 ILE CA . 18002 1 706 . 1 1 83 83 ILE CB C 13 41.036 0.50 . 1 . . . A 445 ILE CB . 18002 1 707 . 1 1 83 83 ILE N N 15 125.584 0.25 . 1 . . . A 445 ILE N . 18002 1 708 . 1 1 84 84 PRO HA H 1 4.919 0.03 . 1 . . . A 446 PRO HA . 18002 1 709 . 1 1 84 84 PRO HB2 H 1 1.977 0.03 . 2 . . . A 446 PRO HB2 . 18002 1 710 . 1 1 84 84 PRO HB3 H 1 1.977 0.03 . 2 . . . A 446 PRO HB3 . 18002 1 711 . 1 1 84 84 PRO HG2 H 1 2.203 0.03 . 2 . . . A 446 PRO HG2 . 18002 1 712 . 1 1 84 84 PRO HG3 H 1 2.203 0.03 . 2 . . . A 446 PRO HG3 . 18002 1 713 . 1 1 84 84 PRO HD2 H 1 3.796 0.03 . 2 . . . A 446 PRO HD2 . 18002 1 714 . 1 1 84 84 PRO HD3 H 1 3.796 0.03 . 2 . . . A 446 PRO HD3 . 18002 1 715 . 1 1 84 84 PRO CA C 13 64.033 0.50 . 1 . . . A 446 PRO CA . 18002 1 716 . 1 1 84 84 PRO CB C 13 31.947 0.50 . 1 . . . A 446 PRO CB . 18002 1 717 . 1 1 84 84 PRO CG C 13 27.329 0.50 . 1 . . . A 446 PRO CG . 18002 1 718 . 1 1 84 84 PRO CD C 13 51.209 0.50 . 1 . . . A 446 PRO CD . 18002 1 719 . 1 1 85 85 VAL H H 1 8.304 0.03 . 1 . . . A 447 VAL H . 18002 1 720 . 1 1 85 85 VAL HA H 1 4.503 0.03 . 1 . . . A 447 VAL HA . 18002 1 721 . 1 1 85 85 VAL HB H 1 2.279 0.03 . 1 . . . A 447 VAL HB . 18002 1 722 . 1 1 85 85 VAL CA C 13 60.342 0.50 . 1 . . . A 447 VAL CA . 18002 1 723 . 1 1 85 85 VAL CB C 13 35.266 0.50 . 1 . . . A 447 VAL CB . 18002 1 724 . 1 1 85 85 VAL N N 15 119.780 0.25 . 1 . . . A 447 VAL N . 18002 1 725 . 1 1 86 86 ALA H H 1 8.526 0.03 . 1 . . . A 448 ALA H . 18002 1 726 . 1 1 86 86 ALA HA H 1 3.975 0.03 . 1 . . . A 448 ALA HA . 18002 1 727 . 1 1 86 86 ALA CA C 13 55.561 0.50 . 1 . . . A 448 ALA CA . 18002 1 728 . 1 1 86 86 ALA CB C 13 17.988 0.50 . 1 . . . A 448 ALA CB . 18002 1 729 . 1 1 86 86 ALA N N 15 125.178 0.25 . 1 . . . A 448 ALA N . 18002 1 730 . 1 1 87 87 GLU H H 1 8.402 0.03 . 1 . . . A 449 GLU H . 18002 1 731 . 1 1 87 87 GLU HA H 1 4.290 0.03 . 1 . . . A 449 GLU HA . 18002 1 732 . 1 1 87 87 GLU HB2 H 1 1.929 0.03 . 2 . . . A 449 GLU HB2 . 18002 1 733 . 1 1 87 87 GLU HB3 H 1 1.929 0.03 . 2 . . . A 449 GLU HB3 . 18002 1 734 . 1 1 87 87 GLU HG2 H 1 2.154 0.03 . 2 . . . A 449 GLU HG2 . 18002 1 735 . 1 1 87 87 GLU HG3 H 1 2.154 0.03 . 2 . . . A 449 GLU HG3 . 18002 1 736 . 1 1 87 87 GLU CA C 13 56.731 0.50 . 1 . . . A 449 GLU CA . 18002 1 737 . 1 1 87 87 GLU CB C 13 29.260 0.50 . 1 . . . A 449 GLU CB . 18002 1 738 . 1 1 87 87 GLU CG C 13 36.560 0.50 . 1 . . . A 449 GLU CG . 18002 1 739 . 1 1 87 87 GLU N N 15 114.625 0.25 . 1 . . . A 449 GLU N . 18002 1 740 . 1 1 88 88 GLY H H 1 7.711 0.03 . 1 . . . A 450 GLY H . 18002 1 741 . 1 1 88 88 GLY HA2 H 1 4.181 0.03 . 1 . . . A 450 GLY HA2 . 18002 1 742 . 1 1 88 88 GLY HA3 H 1 3.807 0.03 . 1 . . . A 450 GLY HA3 . 18002 1 743 . 1 1 88 88 GLY CA C 13 45.837 0.50 . 1 . . . A 450 GLY CA . 18002 1 744 . 1 1 88 88 GLY N N 15 109.432 0.25 . 1 . . . A 450 GLY N . 18002 1 745 . 1 1 89 89 MET H H 1 8.355 0.03 . 1 . . . A 451 MET H . 18002 1 746 . 1 1 89 89 MET HA H 1 5.076 0.03 . 1 . . . A 451 MET HA . 18002 1 747 . 1 1 89 89 MET HB2 H 1 1.662 0.03 . 1 . . . A 451 MET HB2 . 18002 1 748 . 1 1 89 89 MET HB3 H 1 1.910 0.03 . 1 . . . A 451 MET HB3 . 18002 1 749 . 1 1 89 89 MET HG2 H 1 2.443 0.03 . 2 . . . A 451 MET HG2 . 18002 1 750 . 1 1 89 89 MET HG3 H 1 2.443 0.03 . 2 . . . A 451 MET HG3 . 18002 1 751 . 1 1 89 89 MET CA C 13 53.860 0.50 . 1 . . . A 451 MET CA . 18002 1 752 . 1 1 89 89 MET CB C 13 35.942 0.50 . 1 . . . A 451 MET CB . 18002 1 753 . 1 1 89 89 MET CG C 13 32.288 0.50 . 1 . . . A 451 MET CG . 18002 1 754 . 1 1 89 89 MET N N 15 121.382 0.25 . 1 . . . A 451 MET N . 18002 1 755 . 1 1 90 90 ASN H H 1 9.338 0.03 . 1 . . . A 452 ASN H . 18002 1 756 . 1 1 90 90 ASN HA H 1 4.953 0.03 . 1 . . . A 452 ASN HA . 18002 1 757 . 1 1 90 90 ASN HB2 H 1 2.638 0.03 . 2 . . . A 452 ASN HB2 . 18002 1 758 . 1 1 90 90 ASN HB3 H 1 2.638 0.03 . 2 . . . A 452 ASN HB3 . 18002 1 759 . 1 1 90 90 ASN CA C 13 51.748 0.50 . 1 . . . A 452 ASN CA . 18002 1 760 . 1 1 90 90 ASN CB C 13 40.642 0.50 . 1 . . . A 452 ASN CB . 18002 1 761 . 1 1 90 90 ASN N N 15 123.538 0.25 . 1 . . . A 452 ASN N . 18002 1 762 . 1 1 91 91 GLU H H 1 8.168 0.03 . 1 . . . A 453 GLU H . 18002 1 763 . 1 1 91 91 GLU HA H 1 5.344 0.03 . 1 . . . A 453 GLU HA . 18002 1 764 . 1 1 91 91 GLU HB2 H 1 1.972 0.03 . 1 . . . A 453 GLU HB2 . 18002 1 765 . 1 1 91 91 GLU HB3 H 1 2.285 0.03 . 1 . . . A 453 GLU HB3 . 18002 1 766 . 1 1 91 91 GLU HG2 H 1 1.798 0.03 . 2 . . . A 453 GLU HG2 . 18002 1 767 . 1 1 91 91 GLU HG3 H 1 1.798 0.03 . 2 . . . A 453 GLU HG3 . 18002 1 768 . 1 1 91 91 GLU CA C 13 55.273 0.50 . 1 . . . A 453 GLU CA . 18002 1 769 . 1 1 91 91 GLU CB C 13 31.743 0.50 . 1 . . . A 453 GLU CB . 18002 1 770 . 1 1 91 91 GLU CG C 13 36.744 0.50 . 1 . . . A 453 GLU CG . 18002 1 771 . 1 1 91 91 GLU N N 15 125.978 0.25 . 1 . . . A 453 GLU N . 18002 1 772 . 1 1 92 92 ILE H H 1 9.000 0.03 . 1 . . . A 454 ILE H . 18002 1 773 . 1 1 92 92 ILE HA H 1 4.566 0.03 . 1 . . . A 454 ILE HA . 18002 1 774 . 1 1 92 92 ILE HB H 1 1.654 0.03 . 1 . . . A 454 ILE HB . 18002 1 775 . 1 1 92 92 ILE HG12 H 1 1.032 0.03 . 2 . . . A 454 ILE HG12 . 18002 1 776 . 1 1 92 92 ILE HG13 H 1 1.032 0.03 . 2 . . . A 454 ILE HG13 . 18002 1 777 . 1 1 92 92 ILE CA C 13 60.048 0.50 . 1 . . . A 454 ILE CA . 18002 1 778 . 1 1 92 92 ILE CB C 13 42.262 0.50 . 1 . . . A 454 ILE CB . 18002 1 779 . 1 1 92 92 ILE CG1 C 13 27.613 0.50 . 1 . . . A 454 ILE CG1 . 18002 1 780 . 1 1 92 92 ILE CG2 C 13 17.835 0.50 . 1 . . . A 454 ILE CG2 . 18002 1 781 . 1 1 92 92 ILE CD1 C 13 13.143 0.50 . 1 . . . A 454 ILE CD1 . 18002 1 782 . 1 1 92 92 ILE N N 15 126.776 0.25 . 1 . . . A 454 ILE N . 18002 1 783 . 1 1 93 93 TRP H H 1 9.278 0.03 . 1 . . . A 455 TRP H . 18002 1 784 . 1 1 93 93 TRP HA H 1 4.592 0.03 . 1 . . . A 455 TRP HA . 18002 1 785 . 1 1 93 93 TRP HB2 H 1 3.269 0.03 . 2 . . . A 455 TRP HB2 . 18002 1 786 . 1 1 93 93 TRP HB3 H 1 3.269 0.03 . 2 . . . A 455 TRP HB3 . 18002 1 787 . 1 1 93 93 TRP CA C 13 53.790 0.50 . 1 . . . A 455 TRP CA . 18002 1 788 . 1 1 93 93 TRP CB C 13 31.386 0.50 . 1 . . . A 455 TRP CB . 18002 1 789 . 1 1 93 93 TRP N N 15 125.987 0.25 . 1 . . . A 455 TRP N . 18002 1 790 . 1 1 94 94 LEU H H 1 9.534 0.03 . 1 . . . A 456 LEU H . 18002 1 791 . 1 1 94 94 LEU HA H 1 5.362 0.03 . 1 . . . A 456 LEU HA . 18002 1 792 . 1 1 94 94 LEU HB2 H 1 1.697 0.03 . 2 . . . A 456 LEU HB2 . 18002 1 793 . 1 1 94 94 LEU HB3 H 1 1.697 0.03 . 2 . . . A 456 LEU HB3 . 18002 1 794 . 1 1 94 94 LEU HG H 1 1.910 0.03 . 1 . . . A 456 LEU HG . 18002 1 795 . 1 1 94 94 LEU CA C 13 53.216 0.50 . 1 . . . A 456 LEU CA . 18002 1 796 . 1 1 94 94 LEU CB C 13 43.594 0.50 . 1 . . . A 456 LEU CB . 18002 1 797 . 1 1 94 94 LEU CG C 13 27.244 0.50 . 1 . . . A 456 LEU CG . 18002 1 798 . 1 1 94 94 LEU CD1 C 13 23.478 0.50 . 1 . . . A 456 LEU CD1 . 18002 1 799 . 1 1 94 94 LEU CD2 C 13 25.552 0.50 . 1 . . . A 456 LEU CD2 . 18002 1 800 . 1 1 94 94 LEU N N 15 120.912 0.25 . 1 . . . A 456 LEU N . 18002 1 801 . 1 1 95 95 ARG H H 1 9.439 0.03 . 1 . . . A 457 ARG H . 18002 1 802 . 1 1 95 95 ARG HA H 1 5.271 0.03 . 1 . . . A 457 ARG HA . 18002 1 803 . 1 1 95 95 ARG HB2 H 1 1.503 0.03 . 1 . . . A 457 ARG HB2 . 18002 1 804 . 1 1 95 95 ARG HB3 H 1 1.655 0.03 . 1 . . . A 457 ARG HB3 . 18002 1 805 . 1 1 95 95 ARG HG2 H 1 1.347 0.03 . 2 . . . A 457 ARG HG2 . 18002 1 806 . 1 1 95 95 ARG HG3 H 1 1.347 0.03 . 2 . . . A 457 ARG HG3 . 18002 1 807 . 1 1 95 95 ARG HD2 H 1 2.521 0.03 . 2 . . . A 457 ARG HD2 . 18002 1 808 . 1 1 95 95 ARG HD3 H 1 2.521 0.03 . 2 . . . A 457 ARG HD3 . 18002 1 809 . 1 1 95 95 ARG CA C 13 55.417 0.50 . 1 . . . A 457 ARG CA . 18002 1 810 . 1 1 95 95 ARG CB C 13 33.262 0.50 . 1 . . . A 457 ARG CB . 18002 1 811 . 1 1 95 95 ARG CD C 13 43.769 0.50 . 1 . . . A 457 ARG CD . 18002 1 812 . 1 1 95 95 ARG N N 15 123.669 0.25 . 1 . . . A 457 ARG N . 18002 1 813 . 1 1 96 96 CYS H H 1 8.652 0.03 . 1 . . . A 458 CYS H . 18002 1 814 . 1 1 96 96 CYS HA H 1 4.698 0.03 . 1 . . . A 458 CYS HA . 18002 1 815 . 1 1 96 96 CYS HB2 H 1 3.089 0.03 . 1 . . . A 458 CYS HB2 . 18002 1 816 . 1 1 96 96 CYS HB3 H 1 3.274 0.03 . 1 . . . A 458 CYS HB3 . 18002 1 817 . 1 1 96 96 CYS CA C 13 58.792 0.50 . 1 . . . A 458 CYS CA . 18002 1 818 . 1 1 96 96 CYS CB C 13 30.403 0.50 . 1 . . . A 458 CYS CB . 18002 1 819 . 1 1 96 96 CYS N N 15 125.273 0.25 . 1 . . . A 458 CYS N . 18002 1 820 . 1 1 97 97 ASP H H 1 9.116 0.03 . 1 . . . A 459 ASP H . 18002 1 821 . 1 1 97 97 ASP HA H 1 4.740 0.03 . 1 . . . A 459 ASP HA . 18002 1 822 . 1 1 97 97 ASP CA C 13 56.228 0.50 . 1 . . . A 459 ASP CA . 18002 1 823 . 1 1 97 97 ASP CB C 13 43.585 0.50 . 1 . . . A 459 ASP CB . 18002 1 824 . 1 1 97 97 ASP N N 15 119.661 0.25 . 1 . . . A 459 ASP N . 18002 1 825 . 1 1 98 98 ASN H H 1 7.054 0.03 . 1 . . . A 460 ASN H . 18002 1 826 . 1 1 98 98 ASN HA H 1 4.372 0.03 . 1 . . . A 460 ASN HA . 18002 1 827 . 1 1 98 98 ASN HB2 H 1 2.955 0.03 . 1 . . . A 460 ASN HB2 . 18002 1 828 . 1 1 98 98 ASN HB3 H 1 2.797 0.03 . 1 . . . A 460 ASN HB3 . 18002 1 829 . 1 1 98 98 ASN CA C 13 52.014 0.50 . 1 . . . A 460 ASN CA . 18002 1 830 . 1 1 98 98 ASN CB C 13 40.811 0.50 . 1 . . . A 460 ASN CB . 18002 1 831 . 1 1 98 98 ASN N N 15 109.173 0.25 . 1 . . . A 460 ASN N . 18002 1 832 . 1 1 99 99 GLU H H 1 8.937 0.03 . 1 . . . A 461 GLU H . 18002 1 833 . 1 1 99 99 GLU HB2 H 1 1.839 0.03 . 2 . . . A 461 GLU HB2 . 18002 1 834 . 1 1 99 99 GLU HB3 H 1 1.839 0.03 . 2 . . . A 461 GLU HB3 . 18002 1 835 . 1 1 99 99 GLU HG2 H 1 2.146 0.03 . 1 . . . A 461 GLU HG2 . 18002 1 836 . 1 1 99 99 GLU HG3 H 1 3.076 0.03 . 1 . . . A 461 GLU HG3 . 18002 1 837 . 1 1 99 99 GLU CA C 13 60.044 0.50 . 1 . . . A 461 GLU CA . 18002 1 838 . 1 1 99 99 GLU CB C 13 29.768 0.50 . 1 . . . A 461 GLU CB . 18002 1 839 . 1 1 99 99 GLU CG C 13 36.907 0.50 . 1 . . . A 461 GLU CG . 18002 1 840 . 1 1 99 99 GLU N N 15 119.220 0.25 . 1 . . . A 461 GLU N . 18002 1 841 . 1 1 100 100 LYS H H 1 8.033 0.03 . 1 . . . A 462 LYS H . 18002 1 842 . 1 1 100 100 LYS HA H 1 4.645 0.03 . 1 . . . A 462 LYS HA . 18002 1 843 . 1 1 100 100 LYS HB2 H 1 1.872 0.03 . 1 . . . A 462 LYS HB2 . 18002 1 844 . 1 1 100 100 LYS HB3 H 1 1.700 0.03 . 1 . . . A 462 LYS HB3 . 18002 1 845 . 1 1 100 100 LYS HG2 H 1 1.373 0.03 . 2 . . . A 462 LYS HG2 . 18002 1 846 . 1 1 100 100 LYS HG3 H 1 1.373 0.03 . 2 . . . A 462 LYS HG3 . 18002 1 847 . 1 1 100 100 LYS HD2 H 1 1.512 0.03 . 2 . . . A 462 LYS HD2 . 18002 1 848 . 1 1 100 100 LYS HD3 H 1 1.512 0.03 . 2 . . . A 462 LYS HD3 . 18002 1 849 . 1 1 100 100 LYS HE2 H 1 2.947 0.03 . 2 . . . A 462 LYS HE2 . 18002 1 850 . 1 1 100 100 LYS HE3 H 1 2.947 0.03 . 2 . . . A 462 LYS HE3 . 18002 1 851 . 1 1 100 100 LYS CA C 13 60.536 0.50 . 1 . . . A 462 LYS CA . 18002 1 852 . 1 1 100 100 LYS CB C 13 32.228 0.50 . 1 . . . A 462 LYS CB . 18002 1 853 . 1 1 100 100 LYS CG C 13 25.619 0.50 . 1 . . . A 462 LYS CG . 18002 1 854 . 1 1 100 100 LYS CD C 13 28.883 0.50 . 1 . . . A 462 LYS CD . 18002 1 855 . 1 1 100 100 LYS CE C 13 42.078 0.50 . 1 . . . A 462 LYS CE . 18002 1 856 . 1 1 100 100 LYS N N 15 120.647 0.25 . 1 . . . A 462 LYS N . 18002 1 857 . 1 1 101 101 GLN H H 1 8.372 0.03 . 1 . . . A 463 GLN H . 18002 1 858 . 1 1 101 101 GLN HA H 1 4.400 0.03 . 1 . . . A 463 GLN HA . 18002 1 859 . 1 1 101 101 GLN CA C 13 59.395 0.50 . 1 . . . A 463 GLN CA . 18002 1 860 . 1 1 101 101 GLN CB C 13 32.214 0.50 . 1 . . . A 463 GLN CB . 18002 1 861 . 1 1 101 101 GLN CG C 13 35.533 0.50 . 1 . . . A 463 GLN CG . 18002 1 862 . 1 1 101 101 GLN N N 15 121.938 0.25 . 1 . . . A 463 GLN N . 18002 1 863 . 1 1 102 102 TYR H H 1 8.221 0.03 . 1 . . . A 464 TYR H . 18002 1 864 . 1 1 102 102 TYR HA H 1 4.616 0.03 . 1 . . . A 464 TYR HA . 18002 1 865 . 1 1 102 102 TYR HB2 H 1 2.743 0.03 . 1 . . . A 464 TYR HB2 . 18002 1 866 . 1 1 102 102 TYR HB3 H 1 2.865 0.03 . 1 . . . A 464 TYR HB3 . 18002 1 867 . 1 1 102 102 TYR CA C 13 61.677 0.50 . 1 . . . A 464 TYR CA . 18002 1 868 . 1 1 102 102 TYR CB C 13 38.859 0.50 . 1 . . . A 464 TYR CB . 18002 1 869 . 1 1 102 102 TYR N N 15 117.422 0.25 . 1 . . . A 464 TYR N . 18002 1 870 . 1 1 103 103 ALA H H 1 8.637 0.03 . 1 . . . A 465 ALA H . 18002 1 871 . 1 1 103 103 ALA HA H 1 3.715 0.03 . 1 . . . A 465 ALA HA . 18002 1 872 . 1 1 103 103 ALA CA C 13 55.913 0.50 . 1 . . . A 465 ALA CA . 18002 1 873 . 1 1 103 103 ALA CB C 13 18.802 0.50 . 1 . . . A 465 ALA CB . 18002 1 874 . 1 1 103 103 ALA N N 15 120.655 0.25 . 1 . . . A 465 ALA N . 18002 1 875 . 1 1 104 104 HIS H H 1 7.852 0.03 . 1 . . . A 466 HIS H . 18002 1 876 . 1 1 104 104 HIS HA H 1 4.141 0.03 . 1 . . . A 466 HIS HA . 18002 1 877 . 1 1 104 104 HIS HB2 H 1 2.993 0.03 . 1 . . . A 466 HIS HB2 . 18002 1 878 . 1 1 104 104 HIS HB3 H 1 3.322 0.03 . 1 . . . A 466 HIS HB3 . 18002 1 879 . 1 1 104 104 HIS CA C 13 60.627 0.50 . 1 . . . A 466 HIS CA . 18002 1 880 . 1 1 104 104 HIS CB C 13 28.858 0.50 . 1 . . . A 466 HIS CB . 18002 1 881 . 1 1 104 104 HIS N N 15 112.871 0.25 . 1 . . . A 466 HIS N . 18002 1 882 . 1 1 105 105 TRP H H 1 8.668 0.03 . 1 . . . A 467 TRP H . 18002 1 883 . 1 1 105 105 TRP HA H 1 3.695 0.03 . 1 . . . A 467 TRP HA . 18002 1 884 . 1 1 105 105 TRP CA C 13 62.342 0.50 . 1 . . . A 467 TRP CA . 18002 1 885 . 1 1 105 105 TRP CB C 13 27.505 0.50 . 1 . . . A 467 TRP CB . 18002 1 886 . 1 1 105 105 TRP N N 15 121.317 0.25 . 1 . . . A 467 TRP N . 18002 1 887 . 1 1 106 106 MET H H 1 9.790 0.03 . 1 . . . A 468 MET H . 18002 1 888 . 1 1 106 106 MET HA H 1 4.086 0.03 . 1 . . . A 468 MET HA . 18002 1 889 . 1 1 106 106 MET HB2 H 1 1.583 0.03 . 1 . . . A 468 MET HB2 . 18002 1 890 . 1 1 106 106 MET HB3 H 1 1.218 0.03 . 1 . . . A 468 MET HB3 . 18002 1 891 . 1 1 106 106 MET HG2 H 1 2.258 0.03 . 1 . . . A 468 MET HG2 . 18002 1 892 . 1 1 106 106 MET HG3 H 1 2.088 0.03 . 1 . . . A 468 MET HG3 . 18002 1 893 . 1 1 106 106 MET CA C 13 58.743 0.50 . 1 . . . A 468 MET CA . 18002 1 894 . 1 1 106 106 MET CB C 13 31.402 0.50 . 1 . . . A 468 MET CB . 18002 1 895 . 1 1 106 106 MET CG C 13 29.164 0.50 . 1 . . . A 468 MET CG . 18002 1 896 . 1 1 106 106 MET N N 15 122.346 0.25 . 1 . . . A 468 MET N . 18002 1 897 . 1 1 107 107 ALA H H 1 7.702 0.03 . 1 . . . A 469 ALA H . 18002 1 898 . 1 1 107 107 ALA HA H 1 3.705 0.03 . 1 . . . A 469 ALA HA . 18002 1 899 . 1 1 107 107 ALA CA C 13 56.129 0.50 . 1 . . . A 469 ALA CA . 18002 1 900 . 1 1 107 107 ALA CB C 13 20.405 0.50 . 1 . . . A 469 ALA CB . 18002 1 901 . 1 1 107 107 ALA N N 15 119.758 0.25 . 1 . . . A 469 ALA N . 18002 1 902 . 1 1 108 108 ALA H H 1 7.156 0.03 . 1 . . . A 470 ALA H . 18002 1 903 . 1 1 108 108 ALA HA H 1 3.546 0.03 . 1 . . . A 470 ALA HA . 18002 1 904 . 1 1 108 108 ALA CA C 13 55.821 0.50 . 1 . . . A 470 ALA CA . 18002 1 905 . 1 1 108 108 ALA CB C 13 16.732 0.50 . 1 . . . A 470 ALA CB . 18002 1 906 . 1 1 108 108 ALA N N 15 119.233 0.25 . 1 . . . A 470 ALA N . 18002 1 907 . 1 1 109 109 CYS H H 1 8.256 0.03 . 1 . . . A 471 CYS H . 18002 1 908 . 1 1 109 109 CYS HA H 1 4.057 0.03 . 1 . . . A 471 CYS HA . 18002 1 909 . 1 1 109 109 CYS CA C 13 64.571 0.50 . 1 . . . A 471 CYS CA . 18002 1 910 . 1 1 109 109 CYS CB C 13 27.393 0.50 . 1 . . . A 471 CYS CB . 18002 1 911 . 1 1 109 109 CYS N N 15 116.736 0.25 . 1 . . . A 471 CYS N . 18002 1 912 . 1 1 110 110 ARG H H 1 8.403 0.03 . 1 . . . A 472 ARG H . 18002 1 913 . 1 1 110 110 ARG HA H 1 3.734 0.03 . 1 . . . A 472 ARG HA . 18002 1 914 . 1 1 110 110 ARG HB2 H 1 1.773 0.03 . 2 . . . A 472 ARG HB2 . 18002 1 915 . 1 1 110 110 ARG HB3 H 1 1.773 0.03 . 2 . . . A 472 ARG HB3 . 18002 1 916 . 1 1 110 110 ARG HG2 H 1 1.520 0.03 . 2 . . . A 472 ARG HG2 . 18002 1 917 . 1 1 110 110 ARG HG3 H 1 1.520 0.03 . 2 . . . A 472 ARG HG3 . 18002 1 918 . 1 1 110 110 ARG HD2 H 1 2.977 0.03 . 2 . . . A 472 ARG HD2 . 18002 1 919 . 1 1 110 110 ARG HD3 H 1 2.977 0.03 . 2 . . . A 472 ARG HD3 . 18002 1 920 . 1 1 110 110 ARG CA C 13 60.204 0.50 . 1 . . . A 472 ARG CA . 18002 1 921 . 1 1 110 110 ARG CB C 13 30.317 0.50 . 1 . . . A 472 ARG CB . 18002 1 922 . 1 1 110 110 ARG CG C 13 27.870 0.50 . 1 . . . A 472 ARG CG . 18002 1 923 . 1 1 110 110 ARG CD C 13 44.029 0.50 . 1 . . . A 472 ARG CD . 18002 1 924 . 1 1 110 110 ARG N N 15 118.644 0.25 . 1 . . . A 472 ARG N . 18002 1 925 . 1 1 111 111 LEU H H 1 7.916 0.03 . 1 . . . A 473 LEU H . 18002 1 926 . 1 1 111 111 LEU HA H 1 3.800 0.03 . 1 . . . A 473 LEU HA . 18002 1 927 . 1 1 111 111 LEU HB2 H 1 1.496 0.03 . 2 . . . A 473 LEU HB2 . 18002 1 928 . 1 1 111 111 LEU HB3 H 1 1.496 0.03 . 2 . . . A 473 LEU HB3 . 18002 1 929 . 1 1 111 111 LEU HG H 1 1.329 0.03 . 1 . . . A 473 LEU HG . 18002 1 930 . 1 1 111 111 LEU HD11 H 1 0.779 0.03 . 1 . . . A 473 LEU HD11 . 18002 1 931 . 1 1 111 111 LEU HD12 H 1 0.779 0.03 . 1 . . . A 473 LEU HD12 . 18002 1 932 . 1 1 111 111 LEU HD13 H 1 0.779 0.03 . 1 . . . A 473 LEU HD13 . 18002 1 933 . 1 1 111 111 LEU HD21 H 1 0.779 0.03 . 1 . . . A 473 LEU HD21 . 18002 1 934 . 1 1 111 111 LEU HD22 H 1 0.779 0.03 . 1 . . . A 473 LEU HD22 . 18002 1 935 . 1 1 111 111 LEU HD23 H 1 0.779 0.03 . 1 . . . A 473 LEU HD23 . 18002 1 936 . 1 1 111 111 LEU CA C 13 59.855 0.50 . 1 . . . A 473 LEU CA . 18002 1 937 . 1 1 111 111 LEU CB C 13 40.420 0.50 . 1 . . . A 473 LEU CB . 18002 1 938 . 1 1 111 111 LEU N N 15 121.877 0.25 . 1 . . . A 473 LEU N . 18002 1 939 . 1 1 112 112 ALA H H 1 8.393 0.03 . 1 . . . A 474 ALA H . 18002 1 940 . 1 1 112 112 ALA HA H 1 4.480 0.03 . 1 . . . A 474 ALA HA . 18002 1 941 . 1 1 112 112 ALA CA C 13 55.261 0.50 . 1 . . . A 474 ALA CA . 18002 1 942 . 1 1 112 112 ALA CB C 13 19.875 0.50 . 1 . . . A 474 ALA CB . 18002 1 943 . 1 1 112 112 ALA N N 15 122.765 0.25 . 1 . . . A 474 ALA N . 18002 1 944 . 1 1 113 113 SER H H 1 8.150 0.03 . 1 . . . A 475 SER H . 18002 1 945 . 1 1 113 113 SER HA H 1 4.782 0.03 . 1 . . . A 475 SER HA . 18002 1 946 . 1 1 113 113 SER HB2 H 1 3.825 0.03 . 2 . . . A 475 SER HB2 . 18002 1 947 . 1 1 113 113 SER HB3 H 1 3.825 0.03 . 2 . . . A 475 SER HB3 . 18002 1 948 . 1 1 113 113 SER CA C 13 61.090 0.50 . 1 . . . A 475 SER CA . 18002 1 949 . 1 1 113 113 SER CB C 13 63.612 0.50 . 1 . . . A 475 SER CB . 18002 1 950 . 1 1 113 113 SER N N 15 113.613 0.25 . 1 . . . A 475 SER N . 18002 1 951 . 1 1 114 114 LYS H H 1 7.239 0.03 . 1 . . . A 476 LYS H . 18002 1 952 . 1 1 114 114 LYS HA H 1 4.553 0.03 . 1 . . . A 476 LYS HA . 18002 1 953 . 1 1 114 114 LYS HB2 H 1 1.846 0.03 . 1 . . . A 476 LYS HB2 . 18002 1 954 . 1 1 114 114 LYS HB3 H 1 2.144 0.03 . 1 . . . A 476 LYS HB3 . 18002 1 955 . 1 1 114 114 LYS HG2 H 1 1.572 0.03 . 2 . . . A 476 LYS HG2 . 18002 1 956 . 1 1 114 114 LYS HG3 H 1 1.572 0.03 . 2 . . . A 476 LYS HG3 . 18002 1 957 . 1 1 114 114 LYS HD2 H 1 1.669 0.03 . 2 . . . A 476 LYS HD2 . 18002 1 958 . 1 1 114 114 LYS HD3 H 1 1.669 0.03 . 2 . . . A 476 LYS HD3 . 18002 1 959 . 1 1 114 114 LYS HE2 H 1 2.943 0.03 . 2 . . . A 476 LYS HE2 . 18002 1 960 . 1 1 114 114 LYS HE3 H 1 2.943 0.03 . 2 . . . A 476 LYS HE3 . 18002 1 961 . 1 1 114 114 LYS CA C 13 55.144 0.50 . 1 . . . A 476 LYS CA . 18002 1 962 . 1 1 114 114 LYS CB C 13 32.591 0.50 . 1 . . . A 476 LYS CB . 18002 1 963 . 1 1 114 114 LYS CG C 13 24.584 0.50 . 1 . . . A 476 LYS CG . 18002 1 964 . 1 1 114 114 LYS CD C 13 28.564 0.50 . 1 . . . A 476 LYS CD . 18002 1 965 . 1 1 114 114 LYS CE C 13 42.376 0.50 . 1 . . . A 476 LYS CE . 18002 1 966 . 1 1 114 114 LYS N N 15 118.734 0.25 . 1 . . . A 476 LYS N . 18002 1 967 . 1 1 115 115 GLY H H 1 8.401 0.03 . 1 . . . A 477 GLY H . 18002 1 968 . 1 1 115 115 GLY HA2 H 1 4.195 0.03 . 1 . . . A 477 GLY HA2 . 18002 1 969 . 1 1 115 115 GLY HA3 H 1 3.468 0.03 . 1 . . . A 477 GLY HA3 . 18002 1 970 . 1 1 115 115 GLY CA C 13 45.986 0.50 . 1 . . . A 477 GLY CA . 18002 1 971 . 1 1 115 115 GLY N N 15 107.818 0.25 . 1 . . . A 477 GLY N . 18002 1 972 . 1 1 116 116 LYS H H 1 8.142 0.03 . 1 . . . A 478 LYS H . 18002 1 973 . 1 1 116 116 LYS HA H 1 4.573 0.03 . 1 . . . A 478 LYS HA . 18002 1 974 . 1 1 116 116 LYS HB2 H 1 1.686 0.03 . 2 . . . A 478 LYS HB2 . 18002 1 975 . 1 1 116 116 LYS HB3 H 1 1.686 0.03 . 2 . . . A 478 LYS HB3 . 18002 1 976 . 1 1 116 116 LYS HG2 H 1 1.282 0.03 . 2 . . . A 478 LYS HG2 . 18002 1 977 . 1 1 116 116 LYS HG3 H 1 1.282 0.03 . 2 . . . A 478 LYS HG3 . 18002 1 978 . 1 1 116 116 LYS HD2 H 1 1.533 0.03 . 2 . . . A 478 LYS HD2 . 18002 1 979 . 1 1 116 116 LYS HD3 H 1 1.533 0.03 . 2 . . . A 478 LYS HD3 . 18002 1 980 . 1 1 116 116 LYS HE2 H 1 2.934 0.03 . 2 . . . A 478 LYS HE2 . 18002 1 981 . 1 1 116 116 LYS HE3 H 1 2.934 0.03 . 2 . . . A 478 LYS HE3 . 18002 1 982 . 1 1 116 116 LYS CA C 13 54.847 0.50 . 1 . . . A 478 LYS CA . 18002 1 983 . 1 1 116 116 LYS CB C 13 35.321 0.50 . 1 . . . A 478 LYS CB . 18002 1 984 . 1 1 116 116 LYS CG C 13 25.424 0.50 . 1 . . . A 478 LYS CG . 18002 1 985 . 1 1 116 116 LYS CD C 13 29.201 0.50 . 1 . . . A 478 LYS CD . 18002 1 986 . 1 1 116 116 LYS CE C 13 42.575 0.50 . 1 . . . A 478 LYS CE . 18002 1 987 . 1 1 116 116 LYS N N 15 120.938 0.25 . 1 . . . A 478 LYS N . 18002 1 988 . 1 1 117 117 THR H H 1 7.926 0.03 . 1 . . . A 479 THR H . 18002 1 989 . 1 1 117 117 THR HA H 1 4.671 0.03 . 1 . . . A 479 THR HA . 18002 1 990 . 1 1 117 117 THR CA C 13 59.191 0.50 . 1 . . . A 479 THR CA . 18002 1 991 . 1 1 117 117 THR CB C 13 72.228 0.50 . 1 . . . A 479 THR CB . 18002 1 992 . 1 1 117 117 THR N N 15 108.076 0.25 . 1 . . . A 479 THR N . 18002 1 993 . 1 1 118 118 MET H H 1 8.899 0.03 . 1 . . . A 480 MET H . 18002 1 994 . 1 1 118 118 MET HA H 1 3.352 0.03 . 1 . . . A 480 MET HA . 18002 1 995 . 1 1 118 118 MET HB2 H 1 1.324 0.03 . 1 . . . A 480 MET HB2 . 18002 1 996 . 1 1 118 118 MET HB3 H 1 1.199 0.03 . 1 . . . A 480 MET HB3 . 18002 1 997 . 1 1 118 118 MET HG2 H 1 1.911 0.03 . 2 . . . A 480 MET HG2 . 18002 1 998 . 1 1 118 118 MET HG3 H 1 1.911 0.03 . 2 . . . A 480 MET HG3 . 18002 1 999 . 1 1 118 118 MET CA C 13 57.947 0.50 . 1 . . . A 480 MET CA . 18002 1 1000 . 1 1 118 118 MET CB C 13 33.920 0.50 . 1 . . . A 480 MET CB . 18002 1 1001 . 1 1 118 118 MET CG C 13 31.357 0.50 . 1 . . . A 480 MET CG . 18002 1 1002 . 1 1 118 118 MET N N 15 116.403 0.25 . 1 . . . A 480 MET N . 18002 1 1003 . 1 1 119 119 ALA H H 1 7.645 0.03 . 1 . . . A 481 ALA H . 18002 1 1004 . 1 1 119 119 ALA HA H 1 4.084 0.03 . 1 . . . A 481 ALA HA . 18002 1 1005 . 1 1 119 119 ALA CA C 13 52.595 0.50 . 1 . . . A 481 ALA CA . 18002 1 1006 . 1 1 119 119 ALA CB C 13 19.062 0.50 . 1 . . . A 481 ALA CB . 18002 1 1007 . 1 1 119 119 ALA N N 15 117.786 0.25 . 1 . . . A 481 ALA N . 18002 1 1008 . 1 1 120 120 ASP H H 1 7.887 0.03 . 1 . . . A 482 ASP H . 18002 1 1009 . 1 1 120 120 ASP CB C 13 44.616 0.50 . 1 . . . A 482 ASP CB . 18002 1 1010 . 1 1 120 120 ASP N N 15 120.348 0.25 . 1 . . . A 482 ASP N . 18002 1 1011 . 1 1 121 121 SER HA H 1 4.223 0.03 . 1 . . . A 483 SER HA . 18002 1 1012 . 1 1 121 121 SER CA C 13 61.455 0.50 . 1 . . . A 483 SER CA . 18002 1 1013 . 1 1 121 121 SER CB C 13 62.996 0.50 . 1 . . . A 483 SER CB . 18002 1 1014 . 1 1 122 122 SER H H 1 8.875 0.03 . 1 . . . A 484 SER H . 18002 1 1015 . 1 1 122 122 SER HA H 1 4.321 0.03 . 1 . . . A 484 SER HA . 18002 1 1016 . 1 1 122 122 SER HB2 H 1 3.796 0.03 . 2 . . . A 484 SER HB2 . 18002 1 1017 . 1 1 122 122 SER HB3 H 1 3.796 0.03 . 2 . . . A 484 SER HB3 . 18002 1 1018 . 1 1 122 122 SER CA C 13 60.584 0.50 . 1 . . . A 484 SER CA . 18002 1 1019 . 1 1 122 122 SER CB C 13 64.314 0.50 . 1 . . . A 484 SER CB . 18002 1 1020 . 1 1 122 122 SER N N 15 116.845 0.25 . 1 . . . A 484 SER N . 18002 1 1021 . 1 1 123 123 TYR H H 1 8.018 0.03 . 1 . . . A 485 TYR H . 18002 1 1022 . 1 1 123 123 TYR HA H 1 3.880 0.03 . 1 . . . A 485 TYR HA . 18002 1 1023 . 1 1 123 123 TYR HB2 H 1 2.960 0.03 . 2 . . . A 485 TYR HB2 . 18002 1 1024 . 1 1 123 123 TYR HB3 H 1 2.960 0.03 . 2 . . . A 485 TYR HB3 . 18002 1 1025 . 1 1 123 123 TYR CA C 13 63.314 0.50 . 1 . . . A 485 TYR CA . 18002 1 1026 . 1 1 123 123 TYR CB C 13 37.741 0.50 . 1 . . . A 485 TYR CB . 18002 1 1027 . 1 1 123 123 TYR N N 15 124.153 0.25 . 1 . . . A 485 TYR N . 18002 1 1028 . 1 1 124 124 ASN H H 1 8.665 0.03 . 1 . . . A 486 ASN H . 18002 1 1029 . 1 1 124 124 ASN HA H 1 3.941 0.03 . 1 . . . A 486 ASN HA . 18002 1 1030 . 1 1 124 124 ASN HB2 H 1 2.746 0.03 . 1 . . . A 486 ASN HB2 . 18002 1 1031 . 1 1 124 124 ASN HB3 H 1 2.629 0.03 . 1 . . . A 486 ASN HB3 . 18002 1 1032 . 1 1 124 124 ASN CA C 13 56.706 0.50 . 1 . . . A 486 ASN CA . 18002 1 1033 . 1 1 124 124 ASN CB C 13 38.056 0.50 . 1 . . . A 486 ASN CB . 18002 1 1034 . 1 1 124 124 ASN N N 15 115.339 0.25 . 1 . . . A 486 ASN N . 18002 1 1035 . 1 1 125 125 LEU H H 1 7.105 0.03 . 1 . . . A 487 LEU H . 18002 1 1036 . 1 1 125 125 LEU HA H 1 3.938 0.03 . 1 . . . A 487 LEU HA . 18002 1 1037 . 1 1 125 125 LEU HG H 1 1.612 0.03 . 1 . . . A 487 LEU HG . 18002 1 1038 . 1 1 125 125 LEU HD11 H 1 0.822 0.03 . 1 . . . A 487 LEU HD11 . 18002 1 1039 . 1 1 125 125 LEU HD12 H 1 0.822 0.03 . 1 . . . A 487 LEU HD12 . 18002 1 1040 . 1 1 125 125 LEU HD13 H 1 0.822 0.03 . 1 . . . A 487 LEU HD13 . 18002 1 1041 . 1 1 125 125 LEU HD21 H 1 0.822 0.03 . 1 . . . A 487 LEU HD21 . 18002 1 1042 . 1 1 125 125 LEU HD22 H 1 0.822 0.03 . 1 . . . A 487 LEU HD22 . 18002 1 1043 . 1 1 125 125 LEU HD23 H 1 0.822 0.03 . 1 . . . A 487 LEU HD23 . 18002 1 1044 . 1 1 125 125 LEU CA C 13 57.670 0.50 . 1 . . . A 487 LEU CA . 18002 1 1045 . 1 1 125 125 LEU CB C 13 41.568 0.50 . 1 . . . A 487 LEU CB . 18002 1 1046 . 1 1 125 125 LEU CG C 13 26.972 0.50 . 1 . . . A 487 LEU CG . 18002 1 1047 . 1 1 125 125 LEU N N 15 119.454 0.25 . 1 . . . A 487 LEU N . 18002 1 1048 . 1 1 126 126 GLU H H 1 8.053 0.03 . 1 . . . A 488 GLU H . 18002 1 1049 . 1 1 126 126 GLU HA H 1 4.030 0.03 . 1 . . . A 488 GLU HA . 18002 1 1050 . 1 1 126 126 GLU HB2 H 1 1.895 0.03 . 2 . . . A 488 GLU HB2 . 18002 1 1051 . 1 1 126 126 GLU HB3 H 1 1.895 0.03 . 2 . . . A 488 GLU HB3 . 18002 1 1052 . 1 1 126 126 GLU HG2 H 1 2.027 0.03 . 1 . . . A 488 GLU HG2 . 18002 1 1053 . 1 1 126 126 GLU HG3 H 1 2.177 0.03 . 1 . . . A 488 GLU HG3 . 18002 1 1054 . 1 1 126 126 GLU CA C 13 59.035 0.50 . 1 . . . A 488 GLU CA . 18002 1 1055 . 1 1 126 126 GLU CB C 13 29.085 0.50 . 1 . . . A 488 GLU CB . 18002 1 1056 . 1 1 126 126 GLU CG C 13 35.199 0.50 . 1 . . . A 488 GLU CG . 18002 1 1057 . 1 1 126 126 GLU N N 15 121.189 0.25 . 1 . . . A 488 GLU N . 18002 1 1058 . 1 1 127 127 VAL H H 1 7.769 0.03 . 1 . . . A 489 VAL H . 18002 1 1059 . 1 1 127 127 VAL HA H 1 3.018 0.03 . 1 . . . A 489 VAL HA . 18002 1 1060 . 1 1 127 127 VAL HB H 1 1.696 0.03 . 1 . . . A 489 VAL HB . 18002 1 1061 . 1 1 127 127 VAL CA C 13 67.322 0.50 . 1 . . . A 489 VAL CA . 18002 1 1062 . 1 1 127 127 VAL CB C 13 31.659 0.50 . 1 . . . A 489 VAL CB . 18002 1 1063 . 1 1 127 127 VAL CG1 C 13 22.920 0.50 . 1 . . . A 489 VAL CG1 . 18002 1 1064 . 1 1 127 127 VAL CG2 C 13 20.388 0.50 . 1 . . . A 489 VAL CG2 . 18002 1 1065 . 1 1 127 127 VAL N N 15 119.073 0.25 . 1 . . . A 489 VAL N . 18002 1 1066 . 1 1 128 128 GLN H H 1 7.542 0.03 . 1 . . . A 490 GLN H . 18002 1 1067 . 1 1 128 128 GLN HA H 1 3.832 0.03 . 1 . . . A 490 GLN HA . 18002 1 1068 . 1 1 128 128 GLN HB2 H 1 2.079 0.03 . 2 . . . A 490 GLN HB2 . 18002 1 1069 . 1 1 128 128 GLN HB3 H 1 2.079 0.03 . 2 . . . A 490 GLN HB3 . 18002 1 1070 . 1 1 128 128 GLN HG2 H 1 2.386 0.03 . 2 . . . A 490 GLN HG2 . 18002 1 1071 . 1 1 128 128 GLN HG3 H 1 2.386 0.03 . 2 . . . A 490 GLN HG3 . 18002 1 1072 . 1 1 128 128 GLN CA C 13 58.756 0.50 . 1 . . . A 490 GLN CA . 18002 1 1073 . 1 1 128 128 GLN CB C 13 28.112 0.50 . 1 . . . A 490 GLN CB . 18002 1 1074 . 1 1 128 128 GLN CG C 13 33.605 0.50 . 1 . . . A 490 GLN CG . 18002 1 1075 . 1 1 128 128 GLN N N 15 116.214 0.25 . 1 . . . A 490 GLN N . 18002 1 1076 . 1 1 129 129 ASN H H 1 8.582 0.03 . 1 . . . A 491 ASN H . 18002 1 1077 . 1 1 129 129 ASN HA H 1 4.419 0.03 . 1 . . . A 491 ASN HA . 18002 1 1078 . 1 1 129 129 ASN HB2 H 1 2.764 0.03 . 1 . . . A 491 ASN HB2 . 18002 1 1079 . 1 1 129 129 ASN HB3 H 1 2.926 0.03 . 1 . . . A 491 ASN HB3 . 18002 1 1080 . 1 1 129 129 ASN CA C 13 56.160 0.50 . 1 . . . A 491 ASN CA . 18002 1 1081 . 1 1 129 129 ASN CB C 13 38.060 0.50 . 1 . . . A 491 ASN CB . 18002 1 1082 . 1 1 129 129 ASN N N 15 120.003 0.25 . 1 . . . A 491 ASN N . 18002 1 1083 . 1 1 130 130 ILE H H 1 8.186 0.03 . 1 . . . A 492 ILE H . 18002 1 1084 . 1 1 130 130 ILE HB H 1 1.894 0.03 . 1 . . . A 492 ILE HB . 18002 1 1085 . 1 1 130 130 ILE CA C 13 65.753 0.50 . 1 . . . A 492 ILE CA . 18002 1 1086 . 1 1 130 130 ILE CB C 13 38.146 0.50 . 1 . . . A 492 ILE CB . 18002 1 1087 . 1 1 130 130 ILE CG1 C 13 29.306 0.50 . 1 . . . A 492 ILE CG1 . 18002 1 1088 . 1 1 130 130 ILE CG2 C 13 18.128 0.50 . 1 . . . A 492 ILE CG2 . 18002 1 1089 . 1 1 130 130 ILE CD1 C 13 14.596 0.50 . 1 . . . A 492 ILE CD1 . 18002 1 1090 . 1 1 130 130 ILE N N 15 122.365 0.25 . 1 . . . A 492 ILE N . 18002 1 1091 . 1 1 131 131 LEU H H 1 8.224 0.03 . 1 . . . A 493 LEU H . 18002 1 1092 . 1 1 131 131 LEU HA H 1 4.005 0.03 . 1 . . . A 493 LEU HA . 18002 1 1093 . 1 1 131 131 LEU HB2 H 1 1.841 0.03 . 1 . . . A 493 LEU HB2 . 18002 1 1094 . 1 1 131 131 LEU HB3 H 1 1.617 0.03 . 1 . . . A 493 LEU HB3 . 18002 1 1095 . 1 1 131 131 LEU HG H 1 1.419 0.03 . 1 . . . A 493 LEU HG . 18002 1 1096 . 1 1 131 131 LEU HD11 H 1 0.776 0.03 . 1 . . . A 493 LEU HD11 . 18002 1 1097 . 1 1 131 131 LEU HD12 H 1 0.776 0.03 . 1 . . . A 493 LEU HD12 . 18002 1 1098 . 1 1 131 131 LEU HD13 H 1 0.776 0.03 . 1 . . . A 493 LEU HD13 . 18002 1 1099 . 1 1 131 131 LEU HD21 H 1 0.776 0.03 . 1 . . . A 493 LEU HD21 . 18002 1 1100 . 1 1 131 131 LEU HD22 H 1 0.776 0.03 . 1 . . . A 493 LEU HD22 . 18002 1 1101 . 1 1 131 131 LEU HD23 H 1 0.776 0.03 . 1 . . . A 493 LEU HD23 . 18002 1 1102 . 1 1 131 131 LEU CA C 13 58.859 0.50 . 1 . . . A 493 LEU CA . 18002 1 1103 . 1 1 131 131 LEU CB C 13 41.536 0.50 . 1 . . . A 493 LEU CB . 18002 1 1104 . 1 1 131 131 LEU CG C 13 25.619 0.50 . 1 . . . A 493 LEU CG . 18002 1 1105 . 1 1 131 131 LEU N N 15 119.597 0.25 . 1 . . . A 493 LEU N . 18002 1 1106 . 1 1 132 132 SER H H 1 8.464 0.03 . 1 . . . A 494 SER H . 18002 1 1107 . 1 1 132 132 SER HA H 1 4.430 0.03 . 1 . . . A 494 SER HA . 18002 1 1108 . 1 1 132 132 SER HB2 H 1 4.142 0.03 . 2 . . . A 494 SER HB2 . 18002 1 1109 . 1 1 132 132 SER HB3 H 1 4.142 0.03 . 2 . . . A 494 SER HB3 . 18002 1 1110 . 1 1 132 132 SER CA C 13 62.072 0.50 . 1 . . . A 494 SER CA . 18002 1 1111 . 1 1 132 132 SER CB C 13 62.703 0.50 . 1 . . . A 494 SER CB . 18002 1 1112 . 1 1 132 132 SER N N 15 114.884 0.25 . 1 . . . A 494 SER N . 18002 1 1113 . 1 1 133 133 PHE H H 1 7.915 0.03 . 1 . . . A 495 PHE H . 18002 1 1114 . 1 1 133 133 PHE HA H 1 4.377 0.03 . 1 . . . A 495 PHE HA . 18002 1 1115 . 1 1 133 133 PHE HB2 H 1 3.352 0.03 . 2 . . . A 495 PHE HB2 . 18002 1 1116 . 1 1 133 133 PHE HB3 H 1 3.352 0.03 . 2 . . . A 495 PHE HB3 . 18002 1 1117 . 1 1 133 133 PHE CA C 13 60.913 0.50 . 1 . . . A 495 PHE CA . 18002 1 1118 . 1 1 133 133 PHE CB C 13 39.050 0.50 . 1 . . . A 495 PHE CB . 18002 1 1119 . 1 1 133 133 PHE N N 15 123.047 0.25 . 1 . . . A 495 PHE N . 18002 1 1120 . 1 1 134 134 LEU H H 1 8.386 0.03 . 1 . . . A 496 LEU H . 18002 1 1121 . 1 1 134 134 LEU HA H 1 3.905 0.03 . 1 . . . A 496 LEU HA . 18002 1 1122 . 1 1 134 134 LEU HB2 H 1 2.268 0.03 . 1 . . . A 496 LEU HB2 . 18002 1 1123 . 1 1 134 134 LEU HB3 H 1 1.998 0.03 . 1 . . . A 496 LEU HB3 . 18002 1 1124 . 1 1 134 134 LEU HG H 1 1.543 0.03 . 1 . . . A 496 LEU HG . 18002 1 1125 . 1 1 134 134 LEU CA C 13 57.601 0.50 . 1 . . . A 496 LEU CA . 18002 1 1126 . 1 1 134 134 LEU CB C 13 41.901 0.50 . 1 . . . A 496 LEU CB . 18002 1 1127 . 1 1 134 134 LEU CG C 13 26.898 0.50 . 1 . . . A 496 LEU CG . 18002 1 1128 . 1 1 134 134 LEU N N 15 119.311 0.25 . 1 . . . A 496 LEU N . 18002 1 1129 . 1 1 135 135 LYS H H 1 7.670 0.03 . 1 . . . A 497 LYS H . 18002 1 1130 . 1 1 135 135 LYS HA H 1 3.940 0.03 . 1 . . . A 497 LYS HA . 18002 1 1131 . 1 1 135 135 LYS HB2 H 1 1.897 0.03 . 2 . . . A 497 LYS HB2 . 18002 1 1132 . 1 1 135 135 LYS HB3 H 1 1.897 0.03 . 2 . . . A 497 LYS HB3 . 18002 1 1133 . 1 1 135 135 LYS HG2 H 1 1.497 0.03 . 2 . . . A 497 LYS HG2 . 18002 1 1134 . 1 1 135 135 LYS HG3 H 1 1.497 0.03 . 2 . . . A 497 LYS HG3 . 18002 1 1135 . 1 1 135 135 LYS HD2 H 1 1.648 0.03 . 2 . . . A 497 LYS HD2 . 18002 1 1136 . 1 1 135 135 LYS HD3 H 1 1.648 0.03 . 2 . . . A 497 LYS HD3 . 18002 1 1137 . 1 1 135 135 LYS HE2 H 1 2.941 0.03 . 2 . . . A 497 LYS HE2 . 18002 1 1138 . 1 1 135 135 LYS HE3 H 1 2.941 0.03 . 2 . . . A 497 LYS HE3 . 18002 1 1139 . 1 1 135 135 LYS CA C 13 58.275 0.50 . 1 . . . A 497 LYS CA . 18002 1 1140 . 1 1 135 135 LYS CB C 13 32.494 0.50 . 1 . . . A 497 LYS CB . 18002 1 1141 . 1 1 135 135 LYS CG C 13 24.879 0.50 . 1 . . . A 497 LYS CG . 18002 1 1142 . 1 1 135 135 LYS CD C 13 28.754 0.50 . 1 . . . A 497 LYS CD . 18002 1 1143 . 1 1 135 135 LYS CE C 13 42.140 0.50 . 1 . . . A 497 LYS CE . 18002 1 1144 . 1 1 135 135 LYS N N 15 117.550 0.25 . 1 . . . A 497 LYS N . 18002 1 1145 . 1 1 136 136 MET H H 1 7.421 0.03 . 1 . . . A 498 MET H . 18002 1 1146 . 1 1 136 136 MET HA H 1 4.354 0.03 . 1 . . . A 498 MET HA . 18002 1 1147 . 1 1 136 136 MET HB2 H 1 2.618 0.03 . 1 . . . A 498 MET HB2 . 18002 1 1148 . 1 1 136 136 MET HB3 H 1 2.058 0.03 . 1 . . . A 498 MET HB3 . 18002 1 1149 . 1 1 136 136 MET CA C 13 55.994 0.50 . 1 . . . A 498 MET CA . 18002 1 1150 . 1 1 136 136 MET CB C 13 32.772 0.50 . 1 . . . A 498 MET CB . 18002 1 1151 . 1 1 136 136 MET CG C 13 30.613 0.50 . 1 . . . A 498 MET CG . 18002 1 1152 . 1 1 136 136 MET N N 15 116.106 0.25 . 1 . . . A 498 MET N . 18002 1 1153 . 1 1 137 137 GLN H H 1 7.617 0.03 . 1 . . . A 499 GLN H . 18002 1 1154 . 1 1 137 137 GLN HA H 1 4.184 0.03 . 1 . . . A 499 GLN HA . 18002 1 1155 . 1 1 137 137 GLN HB2 H 1 1.852 0.03 . 1 . . . A 499 GLN HB2 . 18002 1 1156 . 1 1 137 137 GLN HB3 H 1 2.098 0.03 . 1 . . . A 499 GLN HB3 . 18002 1 1157 . 1 1 137 137 GLN HG2 H 1 2.038 0.03 . 1 . . . A 499 GLN HG2 . 18002 1 1158 . 1 1 137 137 GLN HG3 H 1 2.205 0.03 . 1 . . . A 499 GLN HG3 . 18002 1 1159 . 1 1 137 137 GLN CA C 13 55.308 0.50 . 1 . . . A 499 GLN CA . 18002 1 1160 . 1 1 137 137 GLN CB C 13 29.197 0.50 . 1 . . . A 499 GLN CB . 18002 1 1161 . 1 1 137 137 GLN CG C 13 33.260 0.50 . 1 . . . A 499 GLN CG . 18002 1 1162 . 1 1 137 137 GLN N N 15 118.651 0.25 . 1 . . . A 499 GLN N . 18002 1 1163 . 1 1 138 138 HIS H H 1 7.710 0.03 . 1 . . . A 500 HIS H . 18002 1 1164 . 1 1 138 138 HIS HA H 1 4.324 0.03 . 1 . . . A 500 HIS HA . 18002 1 1165 . 1 1 138 138 HIS HB2 H 1 3.026 0.03 . 1 . . . A 500 HIS HB2 . 18002 1 1166 . 1 1 138 138 HIS HB3 H 1 3.171 0.03 . 1 . . . A 500 HIS HB3 . 18002 1 1167 . 1 1 138 138 HIS CA C 13 56.995 0.50 . 1 . . . A 500 HIS CA . 18002 1 1168 . 1 1 138 138 HIS CB C 13 30.028 0.50 . 1 . . . A 500 HIS CB . 18002 1 1169 . 1 1 138 138 HIS N N 15 123.827 0.25 . 1 . . . A 500 HIS N . 18002 1 1170 . 2 2 1 1 4IP H1 H 1 4.042 0.03 . 1 . . . A 1228 4IP H1 . 18002 1 1171 . 2 2 1 1 4IP H2 H 1 4.459 0.03 . 1 . . . A 1228 4IP H2 . 18002 1 1172 . 2 2 1 1 4IP H3 H 1 4.124 0.03 . 1 . . . A 1228 4IP H3 . 18002 1 1173 . 2 2 1 1 4IP H4 H 1 4.401 0.03 . 1 . . . A 1228 4IP H4 . 18002 1 1174 . 2 2 1 1 4IP H5 H 1 4.042 0.03 . 1 . . . A 1228 4IP H5 . 18002 1 1175 . 2 2 1 1 4IP H6 H 1 3.907 0.03 . 1 . . . A 1228 4IP H6 . 18002 1 stop_ save_