data_18477 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18477 _Entry.Title ; NMR dynamics in the C-terminal globular domain of oligosaccharyltransferase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-05-23 _Entry.Accession_date 2012-05-23 _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 James Nyirenda . . . 18477 2 Shunsuke Matsumoto . . . 18477 3 Saitoh Takashi . . . 18477 4 Daisuke Kohda . . . 18477 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Kohda group, MIB, Kyushu Univeristy' . 18477 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18477 heteronucl_NOEs 2 18477 heteronucl_T1_relaxation 2 18477 heteronucl_T2_relaxation 2 18477 order_parameters 2 18477 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 151 18477 '1H chemical shifts' 151 18477 'heteronuclear NOE values' 264 18477 'order parameters' 130 18477 'T1 relaxation values' 264 18477 'T2 relaxation values' 264 18477 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 . . 2013-03-25 2012-05-23 update BMRB 'update entry citation' 18477 1 . . 2012-11-26 2012-05-23 original author 'original release' 18477 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18477 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23177926 _Citation.Full_citation . _Citation.Title 'Crystallographic and NMR evidence for flexibility in oligosaccharyltransferases and its catalytic significance.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full 'Structure (London, England : 1993)' _Citation.Journal_volume 21 _Citation.Journal_issue 1 _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 32 _Citation.Page_last 41 _Citation.Year 2013 _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 James Nyirenda . . . 18477 1 2 Shunsuke Matsumoto . . . 18477 1 3 Takashi Saitoh . . . 18477 1 4 Nobuo Maita . . . 18477 1 5 Nobuo Noda . N. . 18477 1 6 Fuyuhiko Inagaki . . . 18477 1 7 Daisuke Kohda . . . 18477 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Comparative structural biology' 18477 1 'Crystal packing effect' 18477 1 'NMR relaxtion measurement' 18477 1 Oligosaccharyltransferase 18477 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18477 _Assembly.ID 1 _Assembly.Name A.fAglB_S2 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 22000 _Assembly.Enzyme_commission_number E.C.2.4.1.119 _Assembly.Details 'single subunit protein' _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 AfAglB-S2 1 $AfAglB-S2 A . yes native no no . . . 18477 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Transfers a lipid linked from the donor to a growing peptide onto an asparagine residue in the consenus sequence Asn-X-Thr where X can be any amino acid except Proline.' 18477 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_AfAglB-S2 _Entity.Sf_category entity _Entity.Sf_framecode AfAglB-S2 _Entity.Entry_ID 18477 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name AfAglB-S2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAHHHHHHSAALEVLFQGPE MTMDWKEALNWMKENLEAQD YLKAYEKPDYAVLSWWDYGN WILYVAKKAVVCNNFQAGAD DAAKFFTAQSEEEAMKIVEK RKVRYVVTVEELTVKPETNK TKFIPIMQIAGYSPEYMKNK EIIDFFNKTMLYKLHVENAT NLTHFRLLKNFGTVKIFEVK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-19 are plasmid derived and part of the sequence in the assigned residues is labeled 10-18 from Alanine number 10 and the target sequence starts from 433.' _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 180 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'C-terminal globular domain of and archeal oligosaccharyltransferase.' _Entity.Mutation . _Entity.EC_number 'E 2.4.1.119' _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 GB AAB91198 . "predicted coding region AF_0040 [Archaeoglobus fulgidus DSM 4304]" . . . . . 89.44 593 100.00 100.00 5.49e-110 . . . . 18477 1 2 no REF WP_048064157 . "oligosaccharyl transferase STT3 subunit [Archaeoglobus fulgidus]" . . . . . 89.44 588 100.00 100.00 8.32e-110 . . . . 18477 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Archeal Oligosacchryltransferase' 18477 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 1 MET . 18477 1 2 2 ALA . 18477 1 3 3 HIS . 18477 1 4 4 HIS . 18477 1 5 5 HIS . 18477 1 6 6 HIS . 18477 1 7 7 HIS . 18477 1 8 8 HIS . 18477 1 9 9 SER . 18477 1 10 10 ALA . 18477 1 11 11 ALA . 18477 1 12 12 LEU . 18477 1 13 13 GLU . 18477 1 14 14 VAL . 18477 1 15 15 LEU . 18477 1 16 16 PHE . 18477 1 17 17 GLN . 18477 1 18 18 GLY . 18477 1 19 19 PRO . 18477 1 20 433 GLU . 18477 1 21 434 MET . 18477 1 22 435 THR . 18477 1 23 436 MET . 18477 1 24 437 ASP . 18477 1 25 438 TRP . 18477 1 26 439 LYS . 18477 1 27 440 GLU . 18477 1 28 441 ALA . 18477 1 29 442 LEU . 18477 1 30 443 ASN . 18477 1 31 444 TRP . 18477 1 32 445 MET . 18477 1 33 446 LYS . 18477 1 34 447 GLU . 18477 1 35 448 ASN . 18477 1 36 449 LEU . 18477 1 37 450 GLU . 18477 1 38 451 ALA . 18477 1 39 452 GLN . 18477 1 40 453 ASP . 18477 1 41 454 TYR . 18477 1 42 455 LEU . 18477 1 43 456 LYS . 18477 1 44 457 ALA . 18477 1 45 458 TYR . 18477 1 46 459 GLU . 18477 1 47 460 LYS . 18477 1 48 461 PRO . 18477 1 49 462 ASP . 18477 1 50 463 TYR . 18477 1 51 464 ALA . 18477 1 52 465 VAL . 18477 1 53 466 LEU . 18477 1 54 467 SER . 18477 1 55 468 TRP . 18477 1 56 469 TRP . 18477 1 57 470 ASP . 18477 1 58 471 TYR . 18477 1 59 472 GLY . 18477 1 60 473 ASN . 18477 1 61 474 TRP . 18477 1 62 475 ILE . 18477 1 63 476 LEU . 18477 1 64 477 TYR . 18477 1 65 478 VAL . 18477 1 66 479 ALA . 18477 1 67 480 LYS . 18477 1 68 481 LYS . 18477 1 69 482 ALA . 18477 1 70 483 VAL . 18477 1 71 484 VAL . 18477 1 72 485 CYS . 18477 1 73 486 ASN . 18477 1 74 487 ASN . 18477 1 75 488 PHE . 18477 1 76 489 GLN . 18477 1 77 490 ALA . 18477 1 78 491 GLY . 18477 1 79 492 ALA . 18477 1 80 493 ASP . 18477 1 81 494 ASP . 18477 1 82 495 ALA . 18477 1 83 496 ALA . 18477 1 84 497 LYS . 18477 1 85 498 PHE . 18477 1 86 499 PHE . 18477 1 87 500 THR . 18477 1 88 501 ALA . 18477 1 89 502 GLN . 18477 1 90 503 SER . 18477 1 91 504 GLU . 18477 1 92 505 GLU . 18477 1 93 506 GLU . 18477 1 94 507 ALA . 18477 1 95 508 MET . 18477 1 96 509 LYS . 18477 1 97 510 ILE . 18477 1 98 511 VAL . 18477 1 99 512 GLU . 18477 1 100 513 LYS . 18477 1 101 514 ARG . 18477 1 102 515 LYS . 18477 1 103 516 VAL . 18477 1 104 517 ARG . 18477 1 105 518 TYR . 18477 1 106 519 VAL . 18477 1 107 520 VAL . 18477 1 108 521 THR . 18477 1 109 522 VAL . 18477 1 110 523 GLU . 18477 1 111 524 GLU . 18477 1 112 525 LEU . 18477 1 113 526 THR . 18477 1 114 527 VAL . 18477 1 115 528 LYS . 18477 1 116 529 PRO . 18477 1 117 530 GLU . 18477 1 118 531 THR . 18477 1 119 532 ASN . 18477 1 120 533 LYS . 18477 1 121 534 THR . 18477 1 122 535 LYS . 18477 1 123 536 PHE . 18477 1 124 537 ILE . 18477 1 125 538 PRO . 18477 1 126 539 ILE . 18477 1 127 540 MET . 18477 1 128 541 GLN . 18477 1 129 542 ILE . 18477 1 130 543 ALA . 18477 1 131 544 GLY . 18477 1 132 545 TYR . 18477 1 133 546 SER . 18477 1 134 547 PRO . 18477 1 135 548 GLU . 18477 1 136 549 TYR . 18477 1 137 550 MET . 18477 1 138 551 LYS . 18477 1 139 552 ASN . 18477 1 140 553 LYS . 18477 1 141 554 GLU . 18477 1 142 555 ILE . 18477 1 143 556 ILE . 18477 1 144 557 ASP . 18477 1 145 558 PHE . 18477 1 146 559 PHE . 18477 1 147 560 ASN . 18477 1 148 561 LYS . 18477 1 149 562 THR . 18477 1 150 563 MET . 18477 1 151 564 LEU . 18477 1 152 565 TYR . 18477 1 153 566 LYS . 18477 1 154 567 LEU . 18477 1 155 568 HIS . 18477 1 156 569 VAL . 18477 1 157 570 GLU . 18477 1 158 571 ASN . 18477 1 159 572 ALA . 18477 1 160 573 THR . 18477 1 161 574 ASN . 18477 1 162 575 LEU . 18477 1 163 576 THR . 18477 1 164 577 HIS . 18477 1 165 578 PHE . 18477 1 166 579 ARG . 18477 1 167 580 LEU . 18477 1 168 581 LEU . 18477 1 169 582 LYS . 18477 1 170 583 ASN . 18477 1 171 584 PHE . 18477 1 172 585 GLY . 18477 1 173 586 THR . 18477 1 174 587 VAL . 18477 1 175 588 LYS . 18477 1 176 589 ILE . 18477 1 177 590 PHE . 18477 1 178 591 GLU . 18477 1 179 592 VAL . 18477 1 180 593 LYS . 18477 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 18477 1 . ALA 2 2 18477 1 . HIS 3 3 18477 1 . HIS 4 4 18477 1 . HIS 5 5 18477 1 . HIS 6 6 18477 1 . HIS 7 7 18477 1 . HIS 8 8 18477 1 . SER 9 9 18477 1 . ALA 10 10 18477 1 . ALA 11 11 18477 1 . LEU 12 12 18477 1 . GLU 13 13 18477 1 . VAL 14 14 18477 1 . LEU 15 15 18477 1 . PHE 16 16 18477 1 . GLN 17 17 18477 1 . GLY 18 18 18477 1 . PRO 19 19 18477 1 . GLU 20 20 18477 1 . MET 21 21 18477 1 . THR 22 22 18477 1 . MET 23 23 18477 1 . ASP 24 24 18477 1 . TRP 25 25 18477 1 . LYS 26 26 18477 1 . GLU 27 27 18477 1 . ALA 28 28 18477 1 . LEU 29 29 18477 1 . ASN 30 30 18477 1 . TRP 31 31 18477 1 . MET 32 32 18477 1 . LYS 33 33 18477 1 . GLU 34 34 18477 1 . ASN 35 35 18477 1 . LEU 36 36 18477 1 . GLU 37 37 18477 1 . ALA 38 38 18477 1 . GLN 39 39 18477 1 . ASP 40 40 18477 1 . TYR 41 41 18477 1 . LEU 42 42 18477 1 . LYS 43 43 18477 1 . ALA 44 44 18477 1 . TYR 45 45 18477 1 . GLU 46 46 18477 1 . LYS 47 47 18477 1 . PRO 48 48 18477 1 . ASP 49 49 18477 1 . TYR 50 50 18477 1 . ALA 51 51 18477 1 . VAL 52 52 18477 1 . LEU 53 53 18477 1 . SER 54 54 18477 1 . TRP 55 55 18477 1 . TRP 56 56 18477 1 . ASP 57 57 18477 1 . TYR 58 58 18477 1 . GLY 59 59 18477 1 . ASN 60 60 18477 1 . TRP 61 61 18477 1 . ILE 62 62 18477 1 . LEU 63 63 18477 1 . TYR 64 64 18477 1 . VAL 65 65 18477 1 . ALA 66 66 18477 1 . LYS 67 67 18477 1 . LYS 68 68 18477 1 . ALA 69 69 18477 1 . VAL 70 70 18477 1 . VAL 71 71 18477 1 . CYS 72 72 18477 1 . ASN 73 73 18477 1 . ASN 74 74 18477 1 . PHE 75 75 18477 1 . GLN 76 76 18477 1 . ALA 77 77 18477 1 . GLY 78 78 18477 1 . ALA 79 79 18477 1 . ASP 80 80 18477 1 . ASP 81 81 18477 1 . ALA 82 82 18477 1 . ALA 83 83 18477 1 . LYS 84 84 18477 1 . PHE 85 85 18477 1 . PHE 86 86 18477 1 . THR 87 87 18477 1 . ALA 88 88 18477 1 . GLN 89 89 18477 1 . SER 90 90 18477 1 . GLU 91 91 18477 1 . GLU 92 92 18477 1 . GLU 93 93 18477 1 . ALA 94 94 18477 1 . MET 95 95 18477 1 . LYS 96 96 18477 1 . ILE 97 97 18477 1 . VAL 98 98 18477 1 . GLU 99 99 18477 1 . LYS 100 100 18477 1 . ARG 101 101 18477 1 . LYS 102 102 18477 1 . VAL 103 103 18477 1 . ARG 104 104 18477 1 . TYR 105 105 18477 1 . VAL 106 106 18477 1 . VAL 107 107 18477 1 . THR 108 108 18477 1 . VAL 109 109 18477 1 . GLU 110 110 18477 1 . GLU 111 111 18477 1 . LEU 112 112 18477 1 . THR 113 113 18477 1 . VAL 114 114 18477 1 . LYS 115 115 18477 1 . PRO 116 116 18477 1 . GLU 117 117 18477 1 . THR 118 118 18477 1 . ASN 119 119 18477 1 . LYS 120 120 18477 1 . THR 121 121 18477 1 . LYS 122 122 18477 1 . PHE 123 123 18477 1 . ILE 124 124 18477 1 . PRO 125 125 18477 1 . ILE 126 126 18477 1 . MET 127 127 18477 1 . GLN 128 128 18477 1 . ILE 129 129 18477 1 . ALA 130 130 18477 1 . GLY 131 131 18477 1 . TYR 132 132 18477 1 . SER 133 133 18477 1 . PRO 134 134 18477 1 . GLU 135 135 18477 1 . TYR 136 136 18477 1 . MET 137 137 18477 1 . LYS 138 138 18477 1 . ASN 139 139 18477 1 . LYS 140 140 18477 1 . GLU 141 141 18477 1 . ILE 142 142 18477 1 . ILE 143 143 18477 1 . ASP 144 144 18477 1 . PHE 145 145 18477 1 . PHE 146 146 18477 1 . ASN 147 147 18477 1 . LYS 148 148 18477 1 . THR 149 149 18477 1 . MET 150 150 18477 1 . LEU 151 151 18477 1 . TYR 152 152 18477 1 . LYS 153 153 18477 1 . LEU 154 154 18477 1 . HIS 155 155 18477 1 . VAL 156 156 18477 1 . GLU 157 157 18477 1 . ASN 158 158 18477 1 . ALA 159 159 18477 1 . THR 160 160 18477 1 . ASN 161 161 18477 1 . LEU 162 162 18477 1 . THR 163 163 18477 1 . HIS 164 164 18477 1 . PHE 165 165 18477 1 . ARG 166 166 18477 1 . LEU 167 167 18477 1 . LEU 168 168 18477 1 . LYS 169 169 18477 1 . ASN 170 170 18477 1 . PHE 171 171 18477 1 . GLY 172 172 18477 1 . THR 173 173 18477 1 . VAL 174 174 18477 1 . LYS 175 175 18477 1 . ILE 176 176 18477 1 . PHE 177 177 18477 1 . GLU 178 178 18477 1 . VAL 179 179 18477 1 . LYS 180 180 18477 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 18477 _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 $AfAglB-S2 . 2234 organism . 'Archaeoglobus fulgidus' euryarchaeotes . . Archae . Archaeoglobus fulgidus 'DSM 4304' . . . . . . . . . . . . . . . . . . . . 18477 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 18477 _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 $AfAglB-S2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 Gold (DE3)' . . . . . . . . . . . . . . . pET47b+ . . . . . . 18477 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18477 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Added DTT to suppress oligomerisation' _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 AfAglB-S2 '[U-99% 13C; U-99% 15N]' . . 1 $AfAglB-S2 . . 1.0 . . mM . . . . 18477 1 2 AfAglB-S2 '[U-99% 15N]' . . 1 $AfAglB-S2 . . 1.0 . . mM . . . . 18477 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18477 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18477 1 stop_ save_ save_Sample_2 _Sample.Sf_category sample _Sample.Sf_framecode Sample_2 _Sample.Entry_ID 18477 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'For relaxation studies' _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 AfAglB-S2 '[U-99% 15N]' . . 1 $AfAglB-S2 . . 0.5-1.0 . . mM . . . . 18477 2 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18477 2 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18477 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 18477 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'For residue assignment studies sample was prepared in buffer containing NaCl at a total concentration of 50mM.' 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' 50 . mM 18477 1 pH 7.0 . pH 18477 1 pressure 1 . atm 18477 1 temperature 308 . K 18477 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 18477 _Sample_condition_list.ID 2 _Sample_condition_list.Details 'For relaxation studies sample was exchanged in low ionic strength buffer' 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' 5 . mM 18477 2 pH 7.0 . pH 18477 2 pressure 1 . atm 18477 2 temperature 308 . K 18477 2 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18477 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18477 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18477 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18477 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Zhengrong and Bax' . . 18477 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18477 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18477 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18477 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18477 3 stop_ save_ save_ModelFree _Software.Sf_category software _Software.Sf_framecode ModelFree _Software.Entry_ID 18477 _Software.ID 4 _Software.Name ModelFree _Software.Version 4.16 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Palmer . . 18477 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18477 4 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 18477 _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 18477 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 18477 _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 . . . 18477 1 2 spectrometer_2 Bruker Avance . 700 . . . 18477 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 18477 _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' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18477 1 2 '3D HNCO' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18477 1 3 '3D CBCA(CO)NH' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18477 1 4 '3D HNCACB' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18477 1 5 '3D HCACO' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18477 1 6 '1H-15N heteronuclear noe' yes . . . . . . . . . . 2 $Sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18477 1 7 '1H-15N heteronuclear noe' yes . . . . . . . . . . 2 $Sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18477 1 8 '2D 1H-15N HSQC' yes . . . . . . . . . . 2 $Sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18477 1 9 '2D 1H-15N HSQC' yes . . . . . . . . . . 2 $Sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18477 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 18477 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18477 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 18477 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 18477 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err 0.05 _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' . . . 18477 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 10 10 ALA H H 1 8.295 0.02 . 1 . . . . 10 ALA H . 18477 1 2 . 1 1 10 10 ALA N N 15 126.385 0.05 . 1 . . . . 10 ALA N . 18477 1 3 . 1 1 11 11 ALA H H 1 8.022 0.02 . 1 . . . . 11 ALA H . 18477 1 4 . 1 1 11 11 ALA N N 15 122.337 0.05 . 1 . . . . 11 ALA N . 18477 1 5 . 1 1 12 12 LEU H H 1 7.904 0.02 . 1 . . . . 12 LEU H . 18477 1 6 . 1 1 12 12 LEU N N 15 120.277 0.05 . 1 . . . . 12 LEU N . 18477 1 7 . 1 1 13 13 GLU H H 1 8.215 0.02 . 1 . . . . 13 GLU H . 18477 1 8 . 1 1 13 13 GLU N N 15 120.597 0.05 . 1 . . . . 13 GLU N . 18477 1 9 . 1 1 14 14 VAL H H 1 7.771 0.02 . 1 . . . . 14 VAL H . 18477 1 10 . 1 1 14 14 VAL N N 15 119.251 0.05 . 1 . . . . 14 VAL N . 18477 1 11 . 1 1 15 15 LEU H H 1 7.838 0.02 . 1 . . . . 15 LEU H . 18477 1 12 . 1 1 15 15 LEU N N 15 123.932 0.05 . 1 . . . . 15 LEU N . 18477 1 13 . 1 1 16 16 PHE H H 1 7.964 0.02 . 1 . . . . 16 PHE H . 18477 1 14 . 1 1 16 16 PHE N N 15 119.659 0.05 . 1 . . . . 16 PHE N . 18477 1 15 . 1 1 17 17 GLN H H 1 8.033 0.02 . 1 . . . . 17 GLN H . 18477 1 16 . 1 1 17 17 GLN N N 15 121.225 0.05 . 1 . . . . 17 GLN N . 18477 1 17 . 1 1 18 18 GLY H H 1 8.008 0.02 . 1 . . . . 18 GLY H . 18477 1 18 . 1 1 18 18 GLY N N 15 110.46 0.05 . 1 . . . . 18 GLY N . 18477 1 19 . 1 1 20 20 GLU H H 1 8.58 0.02 . 1 . . . . 433 GLU H . 18477 1 20 . 1 1 20 20 GLU N N 15 120.341 0.05 . 1 . . . . 433 GLU N . 18477 1 21 . 1 1 21 21 MET H H 1 8.532 0.02 . 1 . . . . 434 MET H . 18477 1 22 . 1 1 21 21 MET N N 15 125.259 0.05 . 1 . . . . 434 MET N . 18477 1 23 . 1 1 22 22 THR H H 1 7.013 0.02 . 1 . . . . 435 THR H . 18477 1 24 . 1 1 22 22 THR N N 15 116.377 0.05 . 1 . . . . 435 THR N . 18477 1 25 . 1 1 25 25 TRP H H 1 7.274 0.02 . 1 . . . . 438 TRP H . 18477 1 26 . 1 1 25 25 TRP N N 15 118.499 0.05 . 1 . . . . 438 TRP N . 18477 1 27 . 1 1 26 26 LYS H H 1 8.383 0.02 . 1 . . . . 439 LYS H . 18477 1 28 . 1 1 26 26 LYS N N 15 119.844 0.05 . 1 . . . . 439 LYS N . 18477 1 29 . 1 1 27 27 GLU H H 1 8.143 0.02 . 1 . . . . 440 GLU H . 18477 1 30 . 1 1 27 27 GLU N N 15 118.352 0.05 . 1 . . . . 440 GLU N . 18477 1 31 . 1 1 28 28 ALA H H 1 7.983 0.02 . 1 . . . . 441 ALA H . 18477 1 32 . 1 1 28 28 ALA N N 15 123.518 0.05 . 1 . . . . 441 ALA N . 18477 1 33 . 1 1 29 29 LEU H H 1 9.08 0.02 . 1 . . . . 442 LEU H . 18477 1 34 . 1 1 29 29 LEU N N 15 118.488 0.05 . 1 . . . . 442 LEU N . 18477 1 35 . 1 1 30 30 ASN H H 1 7.691 0.02 . 1 . . . . 443 ASN H . 18477 1 36 . 1 1 30 30 ASN N N 15 117.424 0.05 . 1 . . . . 443 ASN N . 18477 1 37 . 1 1 31 31 TRP H H 1 8.243 0.02 . 1 . . . . 444 TRP H . 18477 1 38 . 1 1 31 31 TRP N N 15 120.824 0.05 . 1 . . . . 444 TRP N . 18477 1 39 . 1 1 32 32 MET H H 1 9.059 0.02 . 1 . . . . 445 MET H . 18477 1 40 . 1 1 32 32 MET N N 15 119.296 0.05 . 1 . . . . 445 MET N . 18477 1 41 . 1 1 33 33 LYS H H 1 7.988 0.02 . 1 . . . . 446 LYS H . 18477 1 42 . 1 1 33 33 LYS N N 15 118.233 0.05 . 1 . . . . 446 LYS N . 18477 1 43 . 1 1 34 34 GLU H H 1 7.045 0.02 . 1 . . . . 447 GLU H . 18477 1 44 . 1 1 34 34 GLU N N 15 113.251 0.05 . 1 . . . . 447 GLU N . 18477 1 45 . 1 1 35 35 ASN H H 1 7.476 0.02 . 1 . . . . 448 ASN H . 18477 1 46 . 1 1 35 35 ASN N N 15 112.971 0.05 . 1 . . . . 448 ASN N . 18477 1 47 . 1 1 36 36 LEU H H 1 7.216 0.02 . 1 . . . . 449 LEU H . 18477 1 48 . 1 1 36 36 LEU N N 15 118.887 0.05 . 1 . . . . 449 LEU N . 18477 1 49 . 1 1 37 37 GLU H H 1 8.228 0.02 . 1 . . . . 450 GLU H . 18477 1 50 . 1 1 37 37 GLU N N 15 121.599 0.05 . 1 . . . . 450 GLU N . 18477 1 51 . 1 1 38 38 ALA H H 1 8.4 0.02 . 1 . . . . 451 ALA H . 18477 1 52 . 1 1 38 38 ALA N N 15 126.781 0.05 . 1 . . . . 451 ALA N . 18477 1 53 . 1 1 39 39 GLN H H 1 8.458 0.02 . 1 . . . . 452 GLN H . 18477 1 54 . 1 1 39 39 GLN N N 15 119.571 0.05 . 1 . . . . 452 GLN N . 18477 1 55 . 1 1 40 40 ASP H H 1 8.429 0.02 . 1 . . . . 453 ASP H . 18477 1 56 . 1 1 40 40 ASP N N 15 121.982 0.05 . 1 . . . . 453 ASP N . 18477 1 57 . 1 1 41 41 TYR H H 1 7.968 0.02 . 1 . . . . 454 TYR H . 18477 1 58 . 1 1 41 41 TYR N N 15 121.378 0.05 . 1 . . . . 454 TYR N . 18477 1 59 . 1 1 42 42 LEU H H 1 7.819 0.02 . 1 . . . . 455 LEU H . 18477 1 60 . 1 1 42 42 LEU N N 15 121.313 0.05 . 1 . . . . 455 LEU N . 18477 1 61 . 1 1 43 43 LYS H H 1 7.92 0.02 . 1 . . . . 456 LYS H . 18477 1 62 . 1 1 43 43 LYS N N 15 120.277 0.05 . 1 . . . . 456 LYS N . 18477 1 63 . 1 1 44 44 ALA H H 1 8 0.02 . 1 . . . . 457 ALA H . 18477 1 64 . 1 1 44 44 ALA N N 15 122.89 0.05 . 1 . . . . 457 ALA N . 18477 1 65 . 1 1 45 45 TYR H H 1 7.667 0.02 . 1 . . . . 458 TYR H . 18477 1 66 . 1 1 45 45 TYR N N 15 115.541 0.05 . 1 . . . . 458 TYR N . 18477 1 67 . 1 1 46 46 GLU H H 1 7.872 0.02 . 1 . . . . 459 GLU H . 18477 1 68 . 1 1 46 46 GLU N N 15 120.683 0.05 . 1 . . . . 459 GLU N . 18477 1 69 . 1 1 47 47 LYS H H 1 8.112 0.02 . 1 . . . . 460 LYS H . 18477 1 70 . 1 1 47 47 LYS N N 15 121.39 0.05 . 1 . . . . 460 LYS N . 18477 1 71 . 1 1 49 49 ASP H H 1 8.531 0.02 . 1 . . . . 462 ASP H . 18477 1 72 . 1 1 49 49 ASP N N 15 120.932 0.05 . 1 . . . . 462 ASP N . 18477 1 73 . 1 1 50 50 TYR H H 1 7.378 0.02 . 1 . . . . 463 TYR H . 18477 1 74 . 1 1 50 50 TYR N N 15 113.649 0.05 . 1 . . . . 463 TYR N . 18477 1 75 . 1 1 51 51 ALA H H 1 8.47 0.02 . 1 . . . . 464 ALA H . 18477 1 76 . 1 1 51 51 ALA N N 15 120.349 0.05 . 1 . . . . 464 ALA N . 18477 1 77 . 1 1 52 52 VAL H H 1 9.066 0.02 . 1 . . . . 465 VAL H . 18477 1 78 . 1 1 52 52 VAL N N 15 121.317 0.05 . 1 . . . . 465 VAL N . 18477 1 79 . 1 1 53 53 LEU H H 1 9.397 0.02 . 1 . . . . 466 LEU H . 18477 1 80 . 1 1 53 53 LEU N N 15 131.096 0.05 . 1 . . . . 466 LEU N . 18477 1 81 . 1 1 54 54 SER H H 1 8.683 0.02 . 1 . . . . 467 SER H . 18477 1 82 . 1 1 54 54 SER N N 15 121.884 0.05 . 1 . . . . 467 SER N . 18477 1 83 . 1 1 55 55 TRP H H 1 8.7 0.02 . 1 . . . . 468 TRP H . 18477 1 84 . 1 1 55 55 TRP N N 15 116.576 0.05 . 1 . . . . 468 TRP N . 18477 1 85 . 1 1 57 57 ASP H H 1 6.125 0.02 . 1 . . . . 470 ASP H . 18477 1 86 . 1 1 57 57 ASP N N 15 120.557 0.05 . 1 . . . . 470 ASP N . 18477 1 87 . 1 1 58 58 TYR H H 1 6.146 0.02 . 1 . . . . 471 TYR H . 18477 1 88 . 1 1 58 58 TYR N N 15 115.554 0.05 . 1 . . . . 471 TYR N . 18477 1 89 . 1 1 59 59 GLY H H 1 7.788 0.02 . 1 . . . . 472 GLY H . 18477 1 90 . 1 1 59 59 GLY N N 15 106.459 0.05 . 1 . . . . 472 GLY N . 18477 1 91 . 1 1 60 60 ASN H H 1 8.774 0.02 . 1 . . . . 473 ASN H . 18477 1 92 . 1 1 60 60 ASN N N 15 120.406 0.05 . 1 . . . . 473 ASN N . 18477 1 93 . 1 1 61 61 TRP H H 1 7.694 0.02 . 1 . . . . 474 TRP H . 18477 1 94 . 1 1 61 61 TRP N N 15 120.564 0.05 . 1 . . . . 474 TRP N . 18477 1 95 . 1 1 62 62 ILE H H 1 7.755 0.02 . 1 . . . . 475 ILE H . 18477 1 96 . 1 1 62 62 ILE N N 15 121.45 0.05 . 1 . . . . 475 ILE N . 18477 1 97 . 1 1 63 63 LEU H H 1 8.458 0.02 . 1 . . . . 476 LEU H . 18477 1 98 . 1 1 63 63 LEU N N 15 120.064 0.05 . 1 . . . . 476 LEU N . 18477 1 99 . 1 1 64 64 TYR H H 1 8.39 0.02 . 1 . . . . 477 TYR H . 18477 1 100 . 1 1 64 64 TYR N N 15 113.432 0.05 . 1 . . . . 477 TYR N . 18477 1 101 . 1 1 65 65 VAL H H 1 8.552 0.02 . 1 . . . . 478 VAL H . 18477 1 102 . 1 1 65 65 VAL N N 15 118.858 0.05 . 1 . . . . 478 VAL N . 18477 1 103 . 1 1 66 66 ALA H H 1 7.311 0.02 . 1 . . . . 479 ALA H . 18477 1 104 . 1 1 66 66 ALA N N 15 117.477 0.05 . 1 . . . . 479 ALA N . 18477 1 105 . 1 1 67 67 LYS H H 1 7.027 0.02 . 1 . . . . 480 LYS H . 18477 1 106 . 1 1 67 67 LYS N N 15 112.398 0.05 . 1 . . . . 480 LYS N . 18477 1 107 . 1 1 68 68 LYS H H 1 7.606 0.02 . 1 . . . . 481 LYS H . 18477 1 108 . 1 1 68 68 LYS N N 15 117.758 0.05 . 1 . . . . 481 LYS N . 18477 1 109 . 1 1 69 69 ALA H H 1 8.016 0.02 . 1 . . . . 482 ALA H . 18477 1 110 . 1 1 69 69 ALA N N 15 120.598 0.05 . 1 . . . . 482 ALA N . 18477 1 111 . 1 1 70 70 VAL H H 1 7.841 0.02 . 1 . . . . 483 VAL H . 18477 1 112 . 1 1 70 70 VAL N N 15 108.45 0.05 . 1 . . . . 483 VAL N . 18477 1 113 . 1 1 76 76 GLN H H 1 7.684 0.02 . 1 . . . . 489 GLN H . 18477 1 114 . 1 1 76 76 GLN N N 15 118.107 0.05 . 1 . . . . 489 GLN N . 18477 1 115 . 1 1 77 77 ALA H H 1 7.389 0.02 . 1 . . . . 490 ALA H . 18477 1 116 . 1 1 77 77 ALA N N 15 122.985 0.05 . 1 . . . . 490 ALA N . 18477 1 117 . 1 1 78 78 GLY H H 1 8.677 0.02 . 1 . . . . 491 GLY H . 18477 1 118 . 1 1 78 78 GLY N N 15 111.606 0.05 . 1 . . . . 491 GLY N . 18477 1 119 . 1 1 79 79 ALA H H 1 7.545 0.02 . 1 . . . . 492 VAL H . 18477 1 120 . 1 1 79 79 ALA N N 15 124.842 0.05 . 1 . . . . 492 VAL N . 18477 1 121 . 1 1 80 80 ASP H H 1 8.837 0.02 . 1 . . . . 493 ASP H . 18477 1 122 . 1 1 80 80 ASP N N 15 117.925 0.05 . 1 . . . . 493 ASP N . 18477 1 123 . 1 1 81 81 ASP H H 1 7.861 0.02 . 1 . . . . 494 ASP H . 18477 1 124 . 1 1 81 81 ASP N N 15 122.911 0.05 . 1 . . . . 494 ASP N . 18477 1 125 . 1 1 82 82 ALA H H 1 7.78 0.02 . 1 . . . . 495 ALA H . 18477 1 126 . 1 1 82 82 ALA N N 15 120.921 0.05 . 1 . . . . 495 ALA N . 18477 1 127 . 1 1 83 83 ALA H H 1 9.323 0.02 . 1 . . . . 496 ALA H . 18477 1 128 . 1 1 83 83 ALA N N 15 120.27 0.05 . 1 . . . . 496 ALA N . 18477 1 129 . 1 1 84 84 LYS H H 1 8.982 0.02 . 1 . . . . 497 LYS H . 18477 1 130 . 1 1 84 84 LYS N N 15 121.362 0.05 . 1 . . . . 497 LYS N . 18477 1 131 . 1 1 85 85 PHE H H 1 8.156 0.02 . 1 . . . . 498 PHE H . 18477 1 132 . 1 1 85 85 PHE N N 15 119.129 0.05 . 1 . . . . 498 PHE N . 18477 1 133 . 1 1 86 86 PHE H H 1 8.643 0.02 . 1 . . . . 499 PHE H . 18477 1 134 . 1 1 86 86 PHE N N 15 114.792 0.05 . 1 . . . . 499 PHE N . 18477 1 135 . 1 1 87 87 THR H H 1 7.877 0.02 . 1 . . . . 500 THR H . 18477 1 136 . 1 1 87 87 THR N N 15 103.293 0.05 . 1 . . . . 500 THR N . 18477 1 137 . 1 1 88 88 ALA H H 1 7.149 0.02 . 1 . . . . 501 ALA H . 18477 1 138 . 1 1 88 88 ALA N N 15 125.762 0.05 . 1 . . . . 501 ALA N . 18477 1 139 . 1 1 89 89 GLN H H 1 8.771 0.02 . 1 . . . . 502 GLN H . 18477 1 140 . 1 1 89 89 GLN N N 15 118.974 0.05 . 1 . . . . 502 GLN N . 18477 1 141 . 1 1 90 90 SER H H 1 7.412 0.02 . 1 . . . . 503 SER H . 18477 1 142 . 1 1 90 90 SER N N 15 111.355 0.05 . 1 . . . . 503 SER N . 18477 1 143 . 1 1 92 92 GLU H H 1 8.893 0.02 . 1 . . . . 505 GLU H . 18477 1 144 . 1 1 92 92 GLU N N 15 119.225 0.05 . 1 . . . . 505 GLU N . 18477 1 145 . 1 1 93 93 GLU H H 1 7.505 0.02 . 1 . . . . 506 GLU H . 18477 1 146 . 1 1 93 93 GLU N N 15 118.664 0.05 . 1 . . . . 506 GLU N . 18477 1 147 . 1 1 94 94 ALA H H 1 7.612 0.02 . 1 . . . . 507 ALA H . 18477 1 148 . 1 1 94 94 ALA N N 15 123.066 0.05 . 1 . . . . 507 ALA N . 18477 1 149 . 1 1 95 95 MET H H 1 8.734 0.02 . 1 . . . . 508 MET H . 18477 1 150 . 1 1 95 95 MET N N 15 115.864 0.05 . 1 . . . . 508 MET N . 18477 1 151 . 1 1 96 96 LYS H H 1 7.497 0.02 . 1 . . . . 509 LYS H . 18477 1 152 . 1 1 96 96 LYS N N 15 119.546 0.05 . 1 . . . . 509 LYS N . 18477 1 153 . 1 1 97 97 ILE H H 1 7.296 0.02 . 1 . . . . 510 ILE H . 18477 1 154 . 1 1 97 97 ILE N N 15 119.53 0.05 . 1 . . . . 510 ILE N . 18477 1 155 . 1 1 98 98 VAL H H 1 7.54 0.02 . 1 . . . . 511 VAL H . 18477 1 156 . 1 1 98 98 VAL N N 15 120.782 0.05 . 1 . . . . 511 VAL N . 18477 1 157 . 1 1 99 99 GLU H H 1 8.239 0.02 . 1 . . . . 512 GLU H . 18477 1 158 . 1 1 99 99 GLU N N 15 117.501 0.05 . 1 . . . . 512 GLU N . 18477 1 159 . 1 1 100 100 LYS H H 1 7.537 0.02 . 1 . . . . 513 LYS H . 18477 1 160 . 1 1 100 100 LYS N N 15 119.761 0.05 . 1 . . . . 513 LYS N . 18477 1 161 . 1 1 101 101 ARG H H 1 7.845 0.02 . 1 . . . . 514 ARG H . 18477 1 162 . 1 1 101 101 ARG N N 15 111.842 0.05 . 1 . . . . 514 ARG N . 18477 1 163 . 1 1 102 102 LYS H H 1 7.667 0.02 . 1 . . . . 515 LYS H . 18477 1 164 . 1 1 102 102 LYS N N 15 118.459 0.05 . 1 . . . . 515 LYS N . 18477 1 165 . 1 1 103 103 VAL H H 1 8.114 0.02 . 1 . . . . 516 VAL H . 18477 1 166 . 1 1 103 103 VAL N N 15 119.01 0.05 . 1 . . . . 516 VAL N . 18477 1 167 . 1 1 104 104 ARG H H 1 8.371 0.02 . 1 . . . . 517 ARG H . 18477 1 168 . 1 1 104 104 ARG N N 15 124.652 0.05 . 1 . . . . 517 ARG N . 18477 1 169 . 1 1 105 105 TYR H H 1 7.324 0.02 . 1 . . . . 518 TYR H . 18477 1 170 . 1 1 105 105 TYR N N 15 112.381 0.05 . 1 . . . . 518 TYR N . 18477 1 171 . 1 1 106 106 VAL H H 1 9.335 0.02 . 1 . . . . 519 VAL H . 18477 1 172 . 1 1 106 106 VAL N N 15 121.949 0.05 . 1 . . . . 519 VAL N . 18477 1 173 . 1 1 107 107 VAL H H 1 9.025 0.02 . 1 . . . . 520 VAL H . 18477 1 174 . 1 1 107 107 VAL N N 15 127.475 0.05 . 1 . . . . 520 VAL N . 18477 1 175 . 1 1 108 108 THR H H 1 9.592 0.02 . 1 . . . . 521 THR H . 18477 1 176 . 1 1 108 108 THR N N 15 119.814 0.05 . 1 . . . . 521 THR N . 18477 1 177 . 1 1 109 109 VAL H H 1 5.881 0.02 . 1 . . . . 522 VAL H . 18477 1 178 . 1 1 109 109 VAL N N 15 114.75 0.05 . 1 . . . . 522 VAL N . 18477 1 179 . 1 1 110 110 GLU H H 1 8.752 0.02 . 1 . . . . 523 GLU H . 18477 1 180 . 1 1 110 110 GLU N N 15 129.332 0.05 . 1 . . . . 523 GLU N . 18477 1 181 . 1 1 111 111 GLU H H 1 8.699 0.02 . 1 . . . . 524 GLU H . 18477 1 182 . 1 1 111 111 GLU N N 15 117.009 0.05 . 1 . . . . 524 GLU N . 18477 1 183 . 1 1 112 112 LEU H H 1 7.768 0.02 . 1 . . . . 525 LEU H . 18477 1 184 . 1 1 112 112 LEU N N 15 116.059 0.05 . 1 . . . . 525 LEU N . 18477 1 185 . 1 1 113 113 THR H H 1 7.425 0.02 . 1 . . . . 526 THR H . 18477 1 186 . 1 1 113 113 THR N N 15 101.945 0.05 . 1 . . . . 526 THR N . 18477 1 187 . 1 1 117 117 GLU H H 1 8.723 0.02 . 1 . . . . 530 GLU H . 18477 1 188 . 1 1 117 117 GLU N N 15 114.811 0.05 . 1 . . . . 530 GLU N . 18477 1 189 . 1 1 118 118 THR H H 1 7.51 0.02 . 1 . . . . 531 THR H . 18477 1 190 . 1 1 118 118 THR N N 15 114.173 0.05 . 1 . . . . 531 THR N . 18477 1 191 . 1 1 121 121 THR H H 1 7.978 0.02 . 1 . . . . 534 THR H . 18477 1 192 . 1 1 121 121 THR N N 15 117.445 0.05 . 1 . . . . 534 THR N . 18477 1 193 . 1 1 122 122 LYS H H 1 8.431 0.02 . 1 . . . . 535 LYS H . 18477 1 194 . 1 1 122 122 LYS N N 15 125.919 0.05 . 1 . . . . 535 LYS N . 18477 1 195 . 1 1 123 123 PHE H H 1 8.857 0.02 . 1 . . . . 536 PHE H . 18477 1 196 . 1 1 123 123 PHE N N 15 121.409 0.05 . 1 . . . . 536 PHE N . 18477 1 197 . 1 1 124 124 ILE H H 1 6.771 0.02 . 1 . . . . 537 ILE H . 18477 1 198 . 1 1 124 124 ILE N N 15 114.167 0.05 . 1 . . . . 537 ILE N . 18477 1 199 . 1 1 126 126 ILE H H 1 6.774 0.02 . 1 . . . . 539 ILE H . 18477 1 200 . 1 1 126 126 ILE N N 15 117.43 0.05 . 1 . . . . 539 ILE N . 18477 1 201 . 1 1 127 127 MET H H 1 7.907 0.02 . 1 . . . . 540 MET H . 18477 1 202 . 1 1 127 127 MET N N 15 117.769 0.05 . 1 . . . . 540 MET N . 18477 1 203 . 1 1 128 128 GLN H H 1 8.294 0.02 . 1 . . . . 541 GLN H . 18477 1 204 . 1 1 128 128 GLN N N 15 117.876 0.05 . 1 . . . . 541 GLN N . 18477 1 205 . 1 1 129 129 ILE H H 1 8.531 0.02 . 1 . . . . 542 ILE H . 18477 1 206 . 1 1 129 129 ILE N N 15 122.325 0.05 . 1 . . . . 542 ILE N . 18477 1 207 . 1 1 130 130 ALA H H 1 7.952 0.02 . 1 . . . . 543 ALA H . 18477 1 208 . 1 1 130 130 ALA N N 15 120.983 0.05 . 1 . . . . 543 ALA N . 18477 1 209 . 1 1 131 131 GLY H H 1 7.609 0.02 . 1 . . . . 544 GLY H . 18477 1 210 . 1 1 131 131 GLY N N 15 104.178 0.05 . 1 . . . . 544 GLY N . 18477 1 211 . 1 1 132 132 TYR H H 1 8.071 0.02 . 1 . . . . 545 TYR H . 18477 1 212 . 1 1 132 132 TYR N N 15 119.845 0.05 . 1 . . . . 545 TYR N . 18477 1 213 . 1 1 133 133 SER H H 1 8.668 0.02 . 1 . . . . 546 SER H . 18477 1 214 . 1 1 133 133 SER N N 15 112.936 0.05 . 1 . . . . 546 SER N . 18477 1 215 . 1 1 135 135 GLU H H 1 10.242 0.02 . 1 . . . . 548 GLU H . 18477 1 216 . 1 1 135 135 GLU N N 15 121.671 0.05 . 1 . . . . 548 GLU N . 18477 1 217 . 1 1 136 136 TYR H H 1 7.356 0.02 . 1 . . . . 549 TYR H . 18477 1 218 . 1 1 136 136 TYR N N 15 117.838 0.05 . 1 . . . . 549 TYR N . 18477 1 219 . 1 1 137 137 MET H H 1 7.644 0.02 . 1 . . . . 550 MET H . 18477 1 220 . 1 1 137 137 MET N N 15 120.117 0.05 . 1 . . . . 550 MET N . 18477 1 221 . 1 1 138 138 LYS H H 1 8.906 0.02 . 1 . . . . 551 LYS H . 18477 1 222 . 1 1 138 138 LYS N N 15 121.339 0.05 . 1 . . . . 551 LYS N . 18477 1 223 . 1 1 140 140 LYS H H 1 8.691 0.02 . 1 . . . . 553 LYS H . 18477 1 224 . 1 1 140 140 LYS N N 15 117.534 0.05 . 1 . . . . 553 LYS N . 18477 1 225 . 1 1 141 141 GLU H H 1 7.011 0.02 . 1 . . . . 554 GLU H . 18477 1 226 . 1 1 141 141 GLU N N 15 116.674 0.05 . 1 . . . . 554 GLU N . 18477 1 227 . 1 1 142 142 ILE H H 1 7.88 0.02 . 1 . . . . 555 ILE H . 18477 1 228 . 1 1 142 142 ILE N N 15 122.099 0.05 . 1 . . . . 555 ILE N . 18477 1 229 . 1 1 143 143 ILE H H 1 7.942 0.02 . 1 . . . . 556 ILE H . 18477 1 230 . 1 1 143 143 ILE N N 15 121.376 0.05 . 1 . . . . 556 ILE N . 18477 1 231 . 1 1 144 144 ASP H H 1 8.103 0.02 . 1 . . . . 557 ASP H . 18477 1 232 . 1 1 144 144 ASP N N 15 119.537 0.05 . 1 . . . . 557 ASP N . 18477 1 233 . 1 1 145 145 PHE H H 1 7.837 0.02 . 1 . . . . 558 PHE H . 18477 1 234 . 1 1 145 145 PHE N N 15 119.324 0.05 . 1 . . . . 558 PHE N . 18477 1 235 . 1 1 146 146 PHE H H 1 9.013 0.02 . 1 . . . . 559 PHE H . 18477 1 236 . 1 1 146 146 PHE N N 15 120.268 0.05 . 1 . . . . 559 PHE N . 18477 1 237 . 1 1 147 147 ASN H H 1 8.107 0.02 . 1 . . . . 560 ASN H . 18477 1 238 . 1 1 147 147 ASN N N 15 117.428 0.05 . 1 . . . . 560 ASN N . 18477 1 239 . 1 1 148 148 LYS H H 1 7.229 0.02 . 1 . . . . 561 LYS H . 18477 1 240 . 1 1 148 148 LYS N N 15 117.012 0.05 . 1 . . . . 561 LYS N . 18477 1 241 . 1 1 149 149 THR H H 1 7.426 0.02 . 1 . . . . 562 THR H . 18477 1 242 . 1 1 149 149 THR N N 15 108.387 0.05 . 1 . . . . 562 THR N . 18477 1 243 . 1 1 150 150 MET H H 1 8.121 0.02 . 1 . . . . 563 MET H . 18477 1 244 . 1 1 150 150 MET N N 15 119.263 0.05 . 1 . . . . 563 MET N . 18477 1 245 . 1 1 151 151 LEU H H 1 8.115 0.02 . 1 . . . . 564 LEU H . 18477 1 246 . 1 1 151 151 LEU N N 15 117.983 0.05 . 1 . . . . 564 LEU N . 18477 1 247 . 1 1 152 152 TYR H H 1 7.213 0.02 . 1 . . . . 565 TYR H . 18477 1 248 . 1 1 152 152 TYR N N 15 120.978 0.05 . 1 . . . . 565 TYR N . 18477 1 249 . 1 1 153 153 LYS H H 1 8.011 0.02 . 1 . . . . 566 LYS H . 18477 1 250 . 1 1 153 153 LYS N N 15 119.949 0.05 . 1 . . . . 566 LYS N . 18477 1 251 . 1 1 154 154 LEU H H 1 8.232 0.02 . 1 . . . . 567 LYS H . 18477 1 252 . 1 1 154 154 LEU N N 15 117.86 0.05 . 1 . . . . 567 LYS N . 18477 1 253 . 1 1 155 155 HIS H H 1 8.351 0.02 . 1 . . . . 568 HIS H . 18477 1 254 . 1 1 155 155 HIS N N 15 115.987 0.05 . 1 . . . . 568 HIS N . 18477 1 255 . 1 1 156 156 VAL H H 1 7.75 0.02 . 1 . . . . 569 VAL H . 18477 1 256 . 1 1 156 156 VAL N N 15 115.192 0.05 . 1 . . . . 569 VAL N . 18477 1 257 . 1 1 157 157 GLU H H 1 6.67 0.02 . 1 . . . . 570 GLU H . 18477 1 258 . 1 1 157 157 GLU N N 15 112.971 0.05 . 1 . . . . 570 GLU N . 18477 1 259 . 1 1 158 158 ASN H H 1 7.287 0.02 . 1 . . . . 571 ASN H . 18477 1 260 . 1 1 158 158 ASN N N 15 116.931 0.05 . 1 . . . . 571 ASN N . 18477 1 261 . 1 1 159 159 ALA H H 1 8.504 0.02 . 1 . . . . 572 ALA H . 18477 1 262 . 1 1 159 159 ALA N N 15 112.176 0.05 . 1 . . . . 572 ALA N . 18477 1 263 . 1 1 160 160 THR H H 1 7.761 0.02 . 1 . . . . 573 THR H . 18477 1 264 . 1 1 160 160 THR N N 15 113.564 0.05 . 1 . . . . 573 THR N . 18477 1 265 . 1 1 161 161 ASN H H 1 8.958 0.02 . 1 . . . . 574 ASN H . 18477 1 266 . 1 1 161 161 ASN N N 15 118.246 0.05 . 1 . . . . 574 ASN N . 18477 1 267 . 1 1 162 162 LEU H H 1 7.202 0.02 . 1 . . . . 575 LEU H . 18477 1 268 . 1 1 162 162 LEU N N 15 118.878 0.05 . 1 . . . . 575 LEU N . 18477 1 269 . 1 1 163 163 THR H H 1 10.748 0.02 . 1 . . . . 576 THR H . 18477 1 270 . 1 1 163 163 THR N N 15 119.365 0.05 . 1 . . . . 576 THR N . 18477 1 271 . 1 1 164 164 HIS H H 1 10.59 0.02 . 1 . . . . 577 HIS H . 18477 1 272 . 1 1 164 164 HIS N N 15 121.09 0.05 . 1 . . . . 577 HIS N . 18477 1 273 . 1 1 165 165 PHE H H 1 6.76 0.02 . 1 . . . . 578 PHE H . 18477 1 274 . 1 1 165 165 PHE N N 15 113.051 0.05 . 1 . . . . 578 PHE N . 18477 1 275 . 1 1 166 166 ARG H H 1 8.862 0.02 . 1 . . . . 579 ARG H . 18477 1 276 . 1 1 166 166 ARG N N 15 118.371 0.05 . 1 . . . . 579 ARG N . 18477 1 277 . 1 1 167 167 LEU H H 1 9.184 0.02 . 1 . . . . 580 LEU H . 18477 1 278 . 1 1 167 167 LEU N N 15 127.471 0.05 . 1 . . . . 580 LEU N . 18477 1 279 . 1 1 168 168 LEU H H 1 9.262 0.02 . 1 . . . . 581 LEU H . 18477 1 280 . 1 1 168 168 LEU N N 15 131.214 0.05 . 1 . . . . 581 LEU N . 18477 1 281 . 1 1 169 169 LYS H H 1 7.178 0.02 . 1 . . . . 582 LYS H . 18477 1 282 . 1 1 169 169 LYS N N 15 115.596 0.05 . 1 . . . . 582 LYS N . 18477 1 283 . 1 1 171 171 PHE H H 1 8.564 0.02 . 1 . . . . 584 PHE H . 18477 1 284 . 1 1 171 171 PHE N N 15 125.961 0.05 . 1 . . . . 584 PHE N . 18477 1 285 . 1 1 172 172 GLY H H 1 8.151 0.02 . 1 . . . . 585 GLY H . 18477 1 286 . 1 1 172 172 GLY N N 15 108.241 0.05 . 1 . . . . 585 GLY N . 18477 1 287 . 1 1 173 173 THR H H 1 8.423 0.02 . 1 . . . . 586 THR H . 18477 1 288 . 1 1 173 173 THR N N 15 117.907 0.05 . 1 . . . . 586 THR N . 18477 1 289 . 1 1 174 174 VAL H H 1 6.894 0.02 . 1 . . . . 587 VAL H . 18477 1 290 . 1 1 174 174 VAL N N 15 122.443 0.05 . 1 . . . . 587 VAL N . 18477 1 291 . 1 1 175 175 LYS H H 1 8.746 0.02 . 1 . . . . 588 LYS H . 18477 1 292 . 1 1 175 175 LYS N N 15 125.259 0.05 . 1 . . . . 588 LYS N . 18477 1 293 . 1 1 176 176 ILE H H 1 8.012 0.02 . 1 . . . . 589 ILE H . 18477 1 294 . 1 1 176 176 ILE N N 15 118.332 0.05 . 1 . . . . 589 ILE N . 18477 1 295 . 1 1 177 177 PHE H H 1 10.002 0.02 . 1 . . . . 590 PHE H . 18477 1 296 . 1 1 177 177 PHE N N 15 126.151 0.05 . 1 . . . . 590 PHE N . 18477 1 297 . 1 1 178 178 GLU H H 1 9.384 0.02 . 1 . . . . 591 GLU H . 18477 1 298 . 1 1 178 178 GLU N N 15 122.568 0.05 . 1 . . . . 591 GLU N . 18477 1 299 . 1 1 179 179 VAL H H 1 7.801 0.02 . 1 . . . . 592 VAL H . 18477 1 300 . 1 1 179 179 VAL N N 15 125.67 0.05 . 1 . . . . 592 VAL N . 18477 1 301 . 1 1 180 180 LYS H H 1 8.317 0.02 . 1 . . . . 593 LYS H . 18477 1 302 . 1 1 180 180 LYS N N 15 132.963 0.05 . 1 . . . . 593 LYS N . 18477 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1 _Heteronucl_NOE_list.Entry_ID 18477 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 2 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_2 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 6 '1H-15N heteronuclear noe' . . . 18477 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 20 20 GLU N N 15 . 1 1 20 20 GLU H H 1 0.497 0.0400 . . . 433 E . . 433 E . 18477 1 2 . 1 1 21 21 MET N N 15 . 1 1 21 21 MET H H 1 0.559 0.0380 . . . 434 M . . 434 M . 18477 1 3 . 1 1 25 25 TRP N N 15 . 1 1 25 25 TRP H H 1 0.829 0.0380 . . . 438 W . . 438 W . 18477 1 4 . 1 1 26 26 LYS N N 15 . 1 1 26 26 LYS H H 1 0.785 0.0380 . . . 439 K . . 439 K . 18477 1 5 . 1 1 27 27 GLU N N 15 . 1 1 27 27 GLU H H 1 0.788 0.0380 . . . 440 E . . 440 E . 18477 1 6 . 1 1 28 28 ALA N N 15 . 1 1 28 28 ALA H H 1 0.805 0.0380 . . . 441 A . . 441 A . 18477 1 7 . 1 1 29 29 LEU N N 15 . 1 1 29 29 LEU H H 1 0.795 0.0380 . . . 442 L . . 442 L . 18477 1 8 . 1 1 30 30 ASN N N 15 . 1 1 30 30 ASN H H 1 0.796 0.0380 . . . 443 N . . 443 N . 18477 1 9 . 1 1 31 31 TRP N N 15 . 1 1 31 31 TRP H H 1 0.693 0.0380 . . . 444 W . . 444 W . 18477 1 10 . 1 1 32 32 MET N N 15 . 1 1 32 32 MET H H 1 0.774 0.0380 . . . 445 M . . 445 M . 18477 1 11 . 1 1 33 33 LYS N N 15 . 1 1 33 33 LYS H H 1 0.812 0.0380 . . . 446 K . . 446 K . 18477 1 12 . 1 1 34 34 GLU N N 15 . 1 1 34 34 GLU H H 1 0.706 0.0400 . . . 447 E . . 447 E . 18477 1 13 . 1 1 35 35 ASN N N 15 . 1 1 35 35 ASN H H 1 0.763 0.0380 . . . 448 N . . 448 N . 18477 1 14 . 1 1 37 37 GLU N N 15 . 1 1 37 37 GLU H H 1 0.641 0.0380 . . . 450 E . . 450 E . 18477 1 15 . 1 1 38 38 ALA N N 15 . 1 1 38 38 ALA H H 1 0.587 0.0380 . . . 451 A . . 451 A . 18477 1 16 . 1 1 39 39 GLN N N 15 . 1 1 39 39 GLN H H 1 0.508 0.0380 . . . 452 Q . . 452 Q . 18477 1 17 . 1 1 40 40 ASP N N 15 . 1 1 40 40 ASP H H 1 0.45 0.0380 . . . 453 D . . 453 D . 18477 1 18 . 1 1 41 41 TYR N N 15 . 1 1 41 41 TYR H H 1 0.552 0.0380 . . . 454 Y . . 454 Y . 18477 1 19 . 1 1 42 42 LEU N N 15 . 1 1 42 42 LEU H H 1 0.523 0.0380 . . . 455 L . . 455 L . 18477 1 20 . 1 1 44 44 ALA N N 15 . 1 1 44 44 ALA H H 1 0.476 0.0380 . . . 457 A . . 457 A . 18477 1 21 . 1 1 45 45 TYR N N 15 . 1 1 45 45 TYR H H 1 0.436 0.0380 . . . 458 Y . . 458 Y . 18477 1 22 . 1 1 46 46 GLU N N 15 . 1 1 46 46 GLU H H 1 0.446 0.0380 . . . 459 E . . 459 E . 18477 1 23 . 1 1 47 47 LYS N N 15 . 1 1 47 47 LYS H H 1 0.384 0.0380 . . . 460 K . . 460 K . 18477 1 24 . 1 1 49 49 ASP N N 15 . 1 1 49 49 ASP H H 1 0.526 0.0380 . . . 462 D . . 462 D . 18477 1 25 . 1 1 50 50 TYR N N 15 . 1 1 50 50 TYR H H 1 0.582 0.0380 . . . 463 Y . . 463 Y . 18477 1 26 . 1 1 51 51 ALA N N 15 . 1 1 51 51 ALA H H 1 0.774 0.0380 . . . 464 A . . 464 A . 18477 1 27 . 1 1 52 52 VAL N N 15 . 1 1 52 52 VAL H H 1 0.738 0.0380 . . . 465 V . . 465 V . 18477 1 28 . 1 1 53 53 LEU N N 15 . 1 1 53 53 LEU H H 1 0.845 0.0380 . . . 466 L . . 466 L . 18477 1 29 . 1 1 54 54 SER N N 15 . 1 1 54 54 SER H H 1 0.894 0.0380 . . . 467 S . . 467 S . 18477 1 30 . 1 1 55 55 TRP N N 15 . 1 1 55 55 TRP H H 1 0.778 0.0380 . . . 468 W . . 468 W . 18477 1 31 . 1 1 57 57 ASP N N 15 . 1 1 57 57 ASP H H 1 0.722 0.0380 . . . 470 D . . 470 D . 18477 1 32 . 1 1 58 58 TYR N N 15 . 1 1 58 58 TYR H H 1 0.805 0.0380 . . . 471 Y . . 471 Y . 18477 1 33 . 1 1 59 59 GLY N N 15 . 1 1 59 59 GLY H H 1 0.781 0.0380 . . . 472 G . . 472 G . 18477 1 34 . 1 1 60 60 ASN N N 15 . 1 1 60 60 ASN H H 1 0.787 0.0380 . . . 473 N . . 473 N . 18477 1 35 . 1 1 61 61 TRP N N 15 . 1 1 61 61 TRP H H 1 0.863 0.0380 . . . 474 W . . 474 W . 18477 1 36 . 1 1 62 62 ILE N N 15 . 1 1 62 62 ILE H H 1 0.837 0.0380 . . . 475 I . . 475 I . 18477 1 37 . 1 1 63 63 LEU N N 15 . 1 1 63 63 LEU H H 1 0.791 0.0380 . . . 476 L . . 476 L . 18477 1 38 . 1 1 64 64 TYR N N 15 . 1 1 64 64 TYR H H 1 0.794 0.0380 . . . 477 Y . . 477 Y . 18477 1 39 . 1 1 65 65 VAL N N 15 . 1 1 65 65 VAL H H 1 0.745 0.0380 . . . 478 V . . 478 V . 18477 1 40 . 1 1 66 66 ALA N N 15 . 1 1 66 66 ALA H H 1 0.778 0.0380 . . . 479 A . . 479 A . 18477 1 41 . 1 1 67 67 LYS N N 15 . 1 1 67 67 LYS H H 1 0.788 0.0380 . . . 480 K . . 480 K . 18477 1 42 . 1 1 68 68 LYS N N 15 . 1 1 68 68 LYS H H 1 0.804 0.0380 . . . 481 K . . 481 K . 18477 1 43 . 1 1 69 69 ALA N N 15 . 1 1 69 69 ALA H H 1 0.684 0.0380 . . . 482 A . . 482 A . 18477 1 44 . 1 1 70 70 VAL N N 15 . 1 1 70 70 VAL H H 1 0.758 0.0380 . . . 483 V . . 483 V . 18477 1 45 . 1 1 76 76 GLN N N 15 . 1 1 76 76 GLN H H 1 0.665 0.0380 . . . 489 Q . . 489 Q . 18477 1 46 . 1 1 77 77 ALA N N 15 . 1 1 77 77 ALA H H 1 0.437 0.0380 . . . 490 A . . 490 A . 18477 1 47 . 1 1 79 79 ALA N N 15 . 1 1 79 79 ALA H H 1 0.781 0.0380 . . . 492 A . . 492 A . 18477 1 48 . 1 1 80 80 ASP N N 15 . 1 1 80 80 ASP H H 1 0.778 0.0380 . . . 493 D . . 493 D . 18477 1 49 . 1 1 81 81 ASP N N 15 . 1 1 81 81 ASP H H 1 0.806 0.0380 . . . 494 D . . 494 D . 18477 1 50 . 1 1 82 82 ALA N N 15 . 1 1 82 82 ALA H H 1 0.788 0.0380 . . . 495 A . . 495 A . 18477 1 51 . 1 1 83 83 ALA N N 15 . 1 1 83 83 ALA H H 1 0.791 0.0380 . . . 496 A . . 496 A . 18477 1 52 . 1 1 84 84 LYS N N 15 . 1 1 84 84 LYS H H 1 0.827 0.0380 . . . 497 K . . 497 K . 18477 1 53 . 1 1 86 86 PHE N N 15 . 1 1 86 86 PHE H H 1 0.807 0.0380 . . . 499 F . . 499 F . 18477 1 54 . 1 1 88 88 ALA N N 15 . 1 1 88 88 ALA H H 1 0.832 0.0380 . . . 501 A . . 501 A . 18477 1 55 . 1 1 89 89 GLN N N 15 . 1 1 89 89 GLN H H 1 0.737 0.0380 . . . 502 Q . . 502 Q . 18477 1 56 . 1 1 90 90 SER N N 15 . 1 1 90 90 SER H H 1 0.606 0.0380 . . . 503 S . . 503 S . 18477 1 57 . 1 1 92 92 GLU N N 15 . 1 1 92 92 GLU H H 1 0.763 0.0380 . . . 505 E . . 505 E . 18477 1 58 . 1 1 93 93 GLU N N 15 . 1 1 93 93 GLU H H 1 0.802 0.0380 . . . 506 E . . 506 E . 18477 1 59 . 1 1 94 94 ALA N N 15 . 1 1 94 94 ALA H H 1 0.781 0.0380 . . . 507 A . . 507 A . 18477 1 60 . 1 1 95 95 MET N N 15 . 1 1 95 95 MET H H 1 0.806 0.0380 . . . 508 M . . 508 M . 18477 1 61 . 1 1 96 96 LYS N N 15 . 1 1 96 96 LYS H H 1 0.792 0.0380 . . . 509 K . . 509 K . 18477 1 62 . 1 1 97 97 ILE N N 15 . 1 1 97 97 ILE H H 1 0.786 0.0380 . . . 510 I . . 510 I . 18477 1 63 . 1 1 98 98 VAL N N 15 . 1 1 98 98 VAL H H 1 0.816 0.0380 . . . 511 V . . 511 V . 18477 1 64 . 1 1 99 99 GLU N N 15 . 1 1 99 99 GLU H H 1 0.827 0.0380 . . . 512 E . . 512 E . 18477 1 65 . 1 1 100 100 LYS N N 15 . 1 1 100 100 LYS H H 1 0.768 0.0380 . . . 513 K . . 513 K . 18477 1 66 . 1 1 101 101 ARG N N 15 . 1 1 101 101 ARG H H 1 0.742 0.0380 . . . 514 R . . 514 R . 18477 1 67 . 1 1 102 102 LYS N N 15 . 1 1 102 102 LYS H H 1 0.792 0.0380 . . . 515 K . . 515 K . 18477 1 68 . 1 1 103 103 VAL N N 15 . 1 1 103 103 VAL H H 1 0.806 0.0380 . . . 516 V . . 516 V . 18477 1 69 . 1 1 104 104 ARG N N 15 . 1 1 104 104 ARG H H 1 0.703 0.0380 . . . 517 R . . 517 R . 18477 1 70 . 1 1 105 105 TYR N N 15 . 1 1 105 105 TYR H H 1 0.795 0.0380 . . . 518 Y . . 518 Y . 18477 1 71 . 1 1 106 106 VAL N N 15 . 1 1 106 106 VAL H H 1 0.792 0.0380 . . . 519 V . . 519 V . 18477 1 72 . 1 1 107 107 VAL N N 15 . 1 1 107 107 VAL H H 1 0.815 0.0380 . . . 520 V . . 520 V . 18477 1 73 . 1 1 108 108 THR N N 15 . 1 1 108 108 THR H H 1 0.805 0.0380 . . . 521 T . . 521 T . 18477 1 74 . 1 1 109 109 VAL N N 15 . 1 1 109 109 VAL H H 1 0.824 0.0380 . . . 522 V . . 522 V . 18477 1 75 . 1 1 110 110 GLU N N 15 . 1 1 110 110 GLU H H 1 0.877 0.0380 . . . 523 E . . 523 E . 18477 1 76 . 1 1 111 111 GLU N N 15 . 1 1 111 111 GLU H H 1 0.772 0.0380 . . . 524 E . . 524 E . 18477 1 77 . 1 1 112 112 LEU N N 15 . 1 1 112 112 LEU H H 1 0.803 0.0380 . . . 525 L . . 525 L . 18477 1 78 . 1 1 113 113 THR N N 15 . 1 1 113 113 THR H H 1 0.785 0.0380 . . . 526 T . . 526 T . 18477 1 79 . 1 1 117 117 GLU N N 15 . 1 1 117 117 GLU H H 1 0.529 0.0380 . . . 530 E . . 530 E . 18477 1 80 . 1 1 118 118 THR N N 15 . 1 1 118 118 THR H H 1 0.534 0.0380 . . . 531 T . . 531 T . 18477 1 81 . 1 1 121 121 THR N N 15 . 1 1 121 121 THR H H 1 0.518 0.0380 . . . 534 T . . 534 T . 18477 1 82 . 1 1 122 122 LYS N N 15 . 1 1 122 122 LYS H H 1 0.758 0.0380 . . . 535 K . . 535 K . 18477 1 83 . 1 1 124 124 ILE N N 15 . 1 1 124 124 ILE H H 1 0.771 0.0380 . . . 537 I . . 537 I . 18477 1 84 . 1 1 126 126 ILE N N 15 . 1 1 126 126 ILE H H 1 0.778 0.0380 . . . 539 I . . 539 I . 18477 1 85 . 1 1 127 127 MET N N 15 . 1 1 127 127 MET H H 1 0.791 0.0380 . . . 540 M . . 540 M . 18477 1 86 . 1 1 128 128 GLN N N 15 . 1 1 128 128 GLN H H 1 0.764 0.0380 . . . 541 Q . . 541 Q . 18477 1 87 . 1 1 129 129 ILE N N 15 . 1 1 129 129 ILE H H 1 0.783 0.0380 . . . 542 I . . 542 I . 18477 1 88 . 1 1 130 130 ALA N N 15 . 1 1 130 130 ALA H H 1 0.771 0.0380 . . . 543 A . . 543 A . 18477 1 89 . 1 1 131 131 GLY N N 15 . 1 1 131 131 GLY H H 1 0.755 0.0380 . . . 544 G . . 544 G . 18477 1 90 . 1 1 132 132 TYR N N 15 . 1 1 132 132 TYR H H 1 0.793 0.0380 . . . 545 Y . . 545 Y . 18477 1 91 . 1 1 133 133 SER N N 15 . 1 1 133 133 SER H H 1 0.624 0.0380 . . . 546 S . . 546 S . 18477 1 92 . 1 1 135 135 GLU N N 15 . 1 1 135 135 GLU H H 1 0.714 0.0380 . . . 548 E . . 548 E . 18477 1 93 . 1 1 136 136 TYR N N 15 . 1 1 136 136 TYR H H 1 0.643 0.0380 . . . 549 Y . . 549 Y . 18477 1 94 . 1 1 137 137 MET N N 15 . 1 1 137 137 MET H H 1 0.701 0.0380 . . . 550 M . . 550 M . 18477 1 95 . 1 1 138 138 LYS N N 15 . 1 1 138 138 LYS H H 1 0.743 0.0380 . . . 551 K . . 551 K . 18477 1 96 . 1 1 140 140 LYS N N 15 . 1 1 140 140 LYS H H 1 0.734 0.0380 . . . 553 K . . 553 K . 18477 1 97 . 1 1 142 142 ILE N N 15 . 1 1 142 142 ILE H H 1 0.82 0.0380 . . . 555 I . . 555 I . 18477 1 98 . 1 1 143 143 ILE N N 15 . 1 1 143 143 ILE H H 1 0.743 0.0380 . . . 556 I . . 556 I . 18477 1 99 . 1 1 144 144 ASP N N 15 . 1 1 144 144 ASP H H 1 0.762 0.0380 . . . 557 D . . 557 D . 18477 1 100 . 1 1 145 145 PHE N N 15 . 1 1 145 145 PHE H H 1 0.791 0.0380 . . . 558 F . . 558 F . 18477 1 101 . 1 1 146 146 PHE N N 15 . 1 1 146 146 PHE H H 1 0.835 0.0380 . . . 559 F . . 559 F . 18477 1 102 . 1 1 147 147 ASN N N 15 . 1 1 147 147 ASN H H 1 0.818 0.0380 . . . 560 N . . 560 N . 18477 1 103 . 1 1 148 148 LYS N N 15 . 1 1 148 148 LYS H H 1 0.785 0.0380 . . . 561 K . . 561 K . 18477 1 104 . 1 1 149 149 THR N N 15 . 1 1 149 149 THR H H 1 0.772 0.0380 . . . 562 T . . 562 T . 18477 1 105 . 1 1 151 151 LEU N N 15 . 1 1 151 151 LEU H H 1 0.81 0.0380 . . . 564 L . . 564 L . 18477 1 106 . 1 1 152 152 TYR N N 15 . 1 1 152 152 TYR H H 1 0.792 0.0380 . . . 565 Y . . 565 Y . 18477 1 107 . 1 1 153 153 LYS N N 15 . 1 1 153 153 LYS H H 1 0.823 0.0380 . . . 566 K . . 566 K . 18477 1 108 . 1 1 154 154 LEU N N 15 . 1 1 154 154 LEU H H 1 0.818 0.0380 . . . 567 L . . 567 L . 18477 1 109 . 1 1 155 155 HIS N N 15 . 1 1 155 155 HIS H H 1 0.83 0.0380 . . . 568 H . . 568 H . 18477 1 110 . 1 1 156 156 VAL N N 15 . 1 1 156 156 VAL H H 1 0.868 0.0380 . . . 569 V . . 569 V . 18477 1 111 . 1 1 157 157 GLU N N 15 . 1 1 157 157 GLU H H 1 0.825 0.0380 . . . 570 E . . 570 E . 18477 1 112 . 1 1 158 158 ASN N N 15 . 1 1 158 158 ASN H H 1 0.83 0.0380 . . . 571 N . . 571 N . 18477 1 113 . 1 1 159 159 ALA N N 15 . 1 1 159 159 ALA H H 1 0.807 0.0380 . . . 572 A . . 572 A . 18477 1 114 . 1 1 160 160 THR N N 15 . 1 1 160 160 THR H H 1 0.807 0.0380 . . . 573 T . . 573 T . 18477 1 115 . 1 1 161 161 ASN N N 15 . 1 1 161 161 ASN H H 1 0.786 0.0400 . . . 574 N . . 574 N . 18477 1 116 . 1 1 163 163 THR N N 15 . 1 1 163 163 THR H H 1 0.78 0.0380 . . . 576 T . . 576 T . 18477 1 117 . 1 1 164 164 HIS N N 15 . 1 1 164 164 HIS H H 1 0.782 0.0380 . . . 577 H . . 577 H . 18477 1 118 . 1 1 165 165 PHE N N 15 . 1 1 165 165 PHE H H 1 0.768 0.0380 . . . 578 F . . 578 F . 18477 1 119 . 1 1 166 166 ARG N N 15 . 1 1 166 166 ARG H H 1 0.799 0.0380 . . . 579 R . . 579 R . 18477 1 120 . 1 1 167 167 LEU N N 15 . 1 1 167 167 LEU H H 1 0.817 0.0380 . . . 580 L . . 580 L . 18477 1 121 . 1 1 168 168 LEU N N 15 . 1 1 168 168 LEU H H 1 0.843 0.0380 . . . 581 L . . 581 L . 18477 1 122 . 1 1 169 169 LYS N N 15 . 1 1 169 169 LYS H H 1 0.806 0.0390 . . . 582 K . . 582 K . 18477 1 123 . 1 1 171 171 PHE N N 15 . 1 1 171 171 PHE H H 1 0.795 0.0380 . . . 584 F . . 584 F . 18477 1 124 . 1 1 172 172 GLY N N 15 . 1 1 172 172 GLY H H 1 0.275 0.0380 . . . 585 G . . 585 G . 18477 1 125 . 1 1 173 173 THR N N 15 . 1 1 173 173 THR H H 1 0.709 0.0380 . . . 586 T . . 586 T . 18477 1 126 . 1 1 174 174 VAL N N 15 . 1 1 174 174 VAL H H 1 0.737 0.0380 . . . 587 V . . 587 V . 18477 1 127 . 1 1 175 175 LYS N N 15 . 1 1 175 175 LYS H H 1 0.773 0.0380 . . . 588 K . . 588 K . 18477 1 128 . 1 1 176 176 ILE N N 15 . 1 1 176 176 ILE H H 1 0.82 0.0380 . . . 589 I . . 589 I . 18477 1 129 . 1 1 177 177 PHE N N 15 . 1 1 177 177 PHE H H 1 0.741 0.0380 . . . 590 F . . 590 F . 18477 1 130 . 1 1 178 178 GLU N N 15 . 1 1 178 178 GLU H H 1 0.806 0.0380 . . . 591 E . . 591 E . 18477 1 131 . 1 1 179 179 VAL N N 15 . 1 1 179 179 VAL H H 1 0.764 0.0380 . . . 592 V . . 592 V . 18477 1 132 . 1 1 180 180 LYS N N 15 . 1 1 180 180 LYS H H 1 0.67 0.0380 . . . 593 K . . 593 K . 18477 1 stop_ save_ save_heteronuclear_noe_list_2 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_2 _Heteronucl_NOE_list.Entry_ID 18477 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Sample_condition_list_ID 2 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_2 _Heteronucl_NOE_list.Spectrometer_frequency_1H 700 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 6 '1H-15N heteronuclear noe' . . . 18477 2 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 20 20 GLU N N 15 . 1 1 20 20 GLU H H 1 17.90 0.053 . . . 433 E . . 433 E . 18477 2 2 . 1 1 21 21 MET N N 15 . 1 1 21 21 MET H H 1 22.55 0.435 . . . 434 M . . 434 M . 18477 2 3 . 1 1 25 25 TRP N N 15 . 1 1 25 25 TRP H H 1 21.85 0.115 . . . 438 W . . 438 W . 18477 2 4 . 1 1 26 26 LYS N N 15 . 1 1 26 26 LYS H H 1 23.18 0.109 . . . 439 K . . 439 K . 18477 2 5 . 1 1 27 27 GLU N N 15 . 1 1 27 27 GLU H H 1 23.43 0.087 . . . 440 E . . 440 E . 18477 2 6 . 1 1 28 28 ALA N N 15 . 1 1 28 28 ALA H H 1 21.78 0.078 . . . 441 A . . 441 A . 18477 2 7 . 1 1 29 29 LEU N N 15 . 1 1 29 29 LEU H H 1 22.43 0.159 . . . 442 L . . 442 L . 18477 2 8 . 1 1 30 30 ASN N N 15 . 1 1 30 30 ASN H H 1 23.70 0.121 . . . 443 N . . 443 N . 18477 2 9 . 1 1 31 31 TRP N N 15 . 1 1 31 31 TRP H H 1 21.22 0.08 . . . 444 W . . 444 W . 18477 2 10 . 1 1 32 32 MET N N 15 . 1 1 32 32 MET H H 1 24.33 0.247 . . . 445 M . . 445 M . 18477 2 11 . 1 1 33 33 LYS N N 15 . 1 1 33 33 LYS H H 1 22.68 0.08 . . . 446 K . . 446 K . 18477 2 12 . 1 1 34 34 GLU N N 15 . 1 1 34 34 GLU H H 1 20.40 0.092 . . . 447 E . . 447 E . 18477 2 13 . 1 1 35 35 ASN N N 15 . 1 1 35 35 ASN H H 1 20.52 0.098 . . . 448 N . . 448 N . 18477 2 14 . 1 1 37 37 GLU N N 15 . 1 1 37 37 GLU H H 1 19.57 0.102 . . . 450 E . . 450 E . 18477 2 15 . 1 1 38 38 ALA N N 15 . 1 1 38 38 ALA H H 1 19.46 0.11 . . . 451 A . . 451 A . 18477 2 16 . 1 1 39 39 GLN N N 15 . 1 1 39 39 GLN H H 1 15.26 0.1 . . . 452 Q . . 452 Q . 18477 2 17 . 1 1 40 40 ASP N N 15 . 1 1 40 40 ASP H H 1 14.21 0.08 . . . 453 D . . 453 D . 18477 2 18 . 1 1 41 41 TYR N N 15 . 1 1 41 41 TYR H H 1 18.52 0.061 . . . 454 Y . . 454 Y . 18477 2 19 . 1 1 42 42 LEU N N 15 . 1 1 42 42 LEU H H 1 15.51 0.027 . . . 455 L . . 455 L . 18477 2 20 . 1 1 44 44 ALA N N 15 . 1 1 44 44 ALA H H 1 13.30 0.057 . . . 457 A . . 457 A . 18477 2 21 . 1 1 45 45 TYR N N 15 . 1 1 45 45 TYR H H 1 15.99 0.039 . . . 458 Y . . 458 Y . 18477 2 22 . 1 1 46 46 GLU N N 15 . 1 1 46 46 GLU H H 1 13.18 0.03 . . . 459 E . . 459 E . 18477 2 23 . 1 1 47 47 LYS N N 15 . 1 1 47 47 LYS H H 1 12.28 0.017 . . . 460 K . . 460 K . 18477 2 24 . 1 1 49 49 ASP N N 15 . 1 1 49 49 ASP H H 1 15.29 0.039 . . . 462 D . . 462 D . 18477 2 25 . 1 1 50 50 TYR N N 15 . 1 1 50 50 TYR H H 1 22.50 0.169 . . . 463 Y . . 463 Y . 18477 2 26 . 1 1 51 51 ALA N N 15 . 1 1 51 51 ALA H H 1 22.82 0.143 . . . 464 A . . 464 A . 18477 2 27 . 1 1 52 52 VAL N N 15 . 1 1 52 52 VAL H H 1 22.64 0.215 . . . 465 V . . 465 V . 18477 2 28 . 1 1 53 53 LEU N N 15 . 1 1 53 53 LEU H H 1 22.70 0.31 . . . 466 L . . 466 L . 18477 2 29 . 1 1 54 54 SER N N 15 . 1 1 54 54 SER H H 1 23.46 0.316 . . . 467 S . . 467 S . 18477 2 30 . 1 1 55 55 TRP N N 15 . 1 1 55 55 TRP H H 1 26.96 0.43 . . . 468 W . . 468 W . 18477 2 31 . 1 1 57 57 ASP N N 15 . 1 1 57 57 ASP H H 1 29.86 0.451 . . . 470 D . . 470 D . 18477 2 32 . 1 1 58 58 TYR N N 15 . 1 1 58 58 TYR H H 1 28.39 0.369 . . . 471 Y . . 471 Y . 18477 2 33 . 1 1 59 59 GLY N N 15 . 1 1 59 59 GLY H H 1 32.54 0.423 . . . 472 G . . 472 G . 18477 2 34 . 1 1 60 60 ASN N N 15 . 1 1 60 60 ASN H H 1 27.17 0.353 . . . 473 N . . 473 N . 18477 2 35 . 1 1 61 61 TRP N N 15 . 1 1 61 61 TRP H H 1 23.37 0.126 . . . 474 W . . 474 W . 18477 2 36 . 1 1 62 62 ILE N N 15 . 1 1 62 62 ILE H H 1 25.27 0.208 . . . 475 I . . 475 I . 18477 2 37 . 1 1 63 63 LEU N N 15 . 1 1 63 63 LEU H H 1 25.34 0.215 . . . 476 L . . 476 L . 18477 2 38 . 1 1 64 64 TYR N N 15 . 1 1 64 64 TYR H H 1 28.71 0.463 . . . 477 Y . . 477 Y . 18477 2 39 . 1 1 65 65 VAL N N 15 . 1 1 65 65 VAL H H 1 35.67 1.068 . . . 478 V . . 478 V . 18477 2 40 . 1 1 66 66 ALA N N 15 . 1 1 66 66 ALA H H 1 31.44 0.508 . . . 479 A . . 479 A . 18477 2 41 . 1 1 67 67 LYS N N 15 . 1 1 67 67 LYS H H 1 28.08 0.373 . . . 480 K . . 480 K . 18477 2 42 . 1 1 68 68 LYS N N 15 . 1 1 68 68 LYS H H 1 23.12 0.215 . . . 481 K . . 481 K . 18477 2 43 . 1 1 69 69 ALA N N 15 . 1 1 69 69 ALA H H 1 21.22 0.1 . . . 482 A . . 482 A . 18477 2 44 . 1 1 70 70 VAL N N 15 . 1 1 70 70 VAL H H 1 25.21 0.544 . . . 483 V . . 483 V . 18477 2 45 . 1 1 76 76 GLN N N 15 . 1 1 76 76 GLN H H 1 25.72 0.198 . . . 489 Q . . 489 Q . 18477 2 46 . 1 1 77 77 ALA N N 15 . 1 1 77 77 ALA H H 1 17.47 0.074 . . . 490 A . . 490 A . 18477 2 47 . 1 1 79 79 ALA N N 15 . 1 1 79 79 ALA H H 1 21.91 0.15 . . . 492 A . . 492 A . 18477 2 48 . 1 1 80 80 ASP N N 15 . 1 1 80 80 ASP H H 1 24.22 0.132 . . . 493 D . . 493 D . 18477 2 49 . 1 1 81 81 ASP N N 15 . 1 1 81 81 ASP H H 1 23.73 0.166 . . . 494 D . . 494 D . 18477 2 50 . 1 1 82 82 ALA N N 15 . 1 1 82 82 ALA H H 1 21.82 0.11 . . . 495 A . . 495 A . 18477 2 51 . 1 1 83 83 ALA N N 15 . 1 1 83 83 ALA H H 1 22.40 0.214 . . . 496 A . . 496 A . 18477 2 52 . 1 1 84 84 LYS N N 15 . 1 1 84 84 LYS H H 1 23.08 0.134 . . . 497 K . . 497 K . 18477 2 53 . 1 1 86 86 PHE N N 15 . 1 1 86 86 PHE H H 1 21.27 0.127 . . . 499 F . . 499 F . 18477 2 54 . 1 1 88 88 ALA N N 15 . 1 1 88 88 ALA H H 1 21.58 0.053 . . . 501 A . . 501 A . 18477 2 55 . 1 1 89 89 GLN N N 15 . 1 1 89 89 GLN H H 1 18.65 0.095 . . . 502 Q . . 502 Q . 18477 2 56 . 1 1 90 90 SER N N 15 . 1 1 90 90 SER H H 1 17.39 0.026 . . . 503 S . . 503 S . 18477 2 57 . 1 1 92 92 GLU N N 15 . 1 1 92 92 GLU H H 1 21.70 0.061 . . . 505 E . . 505 E . 18477 2 58 . 1 1 93 93 GLU N N 15 . 1 1 93 93 GLU H H 1 21.72 0.058 . . . 506 E . . 506 E . 18477 2 59 . 1 1 94 94 ALA N N 15 . 1 1 94 94 ALA H H 1 20.92 0.064 . . . 507 A . . 507 A . 18477 2 60 . 1 1 95 95 MET N N 15 . 1 1 95 95 MET H H 1 21.85 0.093 . . . 508 M . . 508 M . 18477 2 61 . 1 1 96 96 LYS N N 15 . 1 1 96 96 LYS H H 1 23.78 0.075 . . . 509 K . . 509 K . 18477 2 62 . 1 1 97 97 ILE N N 15 . 1 1 97 97 ILE H H 1 22.54 0.087 . . . 510 I . . 510 I . 18477 2 63 . 1 1 98 98 VAL N N 15 . 1 1 98 98 VAL H H 1 22.96 0.148 . . . 511 V . . 511 V . 18477 2 64 . 1 1 99 99 GLU N N 15 . 1 1 99 99 GLU H H 1 23.28 0.086 . . . 512 E . . 512 E . 18477 2 65 . 1 1 100 100 LYS N N 15 . 1 1 100 100 LYS H H 1 22.32 0.068 . . . 513 K . . 513 K . 18477 2 66 . 1 1 101 101 ARG N N 15 . 1 1 101 101 ARG H H 1 20.82 0.112 . . . 514 R . . 514 R . 18477 2 67 . 1 1 102 102 LYS N N 15 . 1 1 102 102 LYS H H 1 24.22 0.111 . . . 515 K . . 515 K . 18477 2 68 . 1 1 103 103 VAL N N 15 . 1 1 103 103 VAL H H 1 22.44 0.06 . . . 516 V . . 516 V . 18477 2 69 . 1 1 104 104 ARG N N 15 . 1 1 104 104 ARG H H 1 21.51 0.287 . . . 517 R . . 517 R . 18477 2 70 . 1 1 105 105 TYR N N 15 . 1 1 105 105 TYR H H 1 19.35 0.13 . . . 518 Y . . 518 Y . 18477 2 71 . 1 1 106 106 VAL N N 15 . 1 1 106 106 VAL H H 1 20.54 0.124 . . . 519 V . . 519 V . 18477 2 72 . 1 1 107 107 VAL N N 15 . 1 1 107 107 VAL H H 1 19.71 0.101 . . . 520 V . . 520 V . 18477 2 73 . 1 1 108 108 THR N N 15 . 1 1 108 108 THR H H 1 22.18 0.114 . . . 521 T . . 521 T . 18477 2 74 . 1 1 109 109 VAL N N 15 . 1 1 109 109 VAL H H 1 22.17 0.115 . . . 522 V . . 522 V . 18477 2 75 . 1 1 110 110 GLU N N 15 . 1 1 110 110 GLU H H 1 20.88 0.21 . . . 523 E . . 523 E . 18477 2 76 . 1 1 111 111 GLU N N 15 . 1 1 111 111 GLU H H 1 23.51 0.316 . . . 524 E . . 524 E . 18477 2 77 . 1 1 112 112 LEU N N 15 . 1 1 112 112 LEU H H 1 23.89 0.166 . . . 525 L . . 525 L . 18477 2 78 . 1 1 113 113 THR N N 15 . 1 1 113 113 THR H H 1 21.04 0.117 . . . 526 T . . 526 T . 18477 2 79 . 1 1 117 117 GLU N N 15 . 1 1 117 117 GLU H H 1 17.38 0.092 . . . 530 E . . 530 E . 18477 2 80 . 1 1 118 118 THR N N 15 . 1 1 118 118 THR H H 1 19.10 0.039 . . . 531 T . . 531 T . 18477 2 81 . 1 1 121 121 THR N N 15 . 1 1 121 121 THR H H 1 26.92 0.393 . . . 534 T . . 534 T . 18477 2 82 . 1 1 122 122 LYS N N 15 . 1 1 122 122 LYS H H 1 26.14 0.342 . . . 535 K . . 535 K . 18477 2 83 . 1 1 124 124 ILE N N 15 . 1 1 124 124 ILE H H 1 25.55 0.896 . . . 537 I . . 537 I . 18477 2 84 . 1 1 126 126 ILE N N 15 . 1 1 126 126 ILE H H 1 21.44 0.153 . . . 539 I . . 539 I . 18477 2 85 . 1 1 127 127 MET N N 15 . 1 1 127 127 MET H H 1 21.89 0.116 . . . 540 M . . 540 M . 18477 2 86 . 1 1 128 128 GLN N N 15 . 1 1 128 128 GLN H H 1 21.64 0.095 . . . 541 Q . . 541 Q . 18477 2 87 . 1 1 129 129 ILE N N 15 . 1 1 129 129 ILE H H 1 21.88 0.107 . . . 542 I . . 542 I . 18477 2 88 . 1 1 130 130 ALA N N 15 . 1 1 130 130 ALA H H 1 20.51 0.055 . . . 543 A . . 543 A . 18477 2 89 . 1 1 131 131 GLY N N 15 . 1 1 131 131 GLY H H 1 21.09 0.075 . . . 544 G . . 544 G . 18477 2 90 . 1 1 132 132 TYR N N 15 . 1 1 132 132 TYR H H 1 21.54 0.066 . . . 545 Y . . 545 Y . 18477 2 91 . 1 1 133 133 SER N N 15 . 1 1 133 133 SER H H 1 13.58 0.032 . . . 546 S . . 546 S . 18477 2 92 . 1 1 135 135 GLU N N 15 . 1 1 135 135 GLU H H 1 22.50 0.136 . . . 548 E . . 548 E . 18477 2 93 . 1 1 136 136 TYR N N 15 . 1 1 136 136 TYR H H 1 20.69 0.052 . . . 549 Y . . 549 Y . 18477 2 94 . 1 1 137 137 MET N N 15 . 1 1 137 137 MET H H 1 20.05 0.048 . . . 550 M . . 550 M . 18477 2 95 . 1 1 138 138 LYS N N 15 . 1 1 138 138 LYS H H 1 19.96 0.069 . . . 551 K . . 551 K . 18477 2 96 . 1 1 140 140 LYS N N 15 . 1 1 140 140 LYS H H 1 20.21 0.509 . . . 553 K . . 553 K . 18477 2 97 . 1 1 142 142 ILE N N 15 . 1 1 142 142 ILE H H 1 21.36 0.099 . . . 555 I . . 555 I . 18477 2 98 . 1 1 143 143 ILE N N 15 . 1 1 143 143 ILE H H 1 20.63 0.062 . . . 556 I . . 556 I . 18477 2 99 . 1 1 144 144 ASP N N 15 . 1 1 144 144 ASP H H 1 22.84 0.075 . . . 557 D . . 557 D . 18477 2 100 . 1 1 145 145 PHE N N 15 . 1 1 145 145 PHE H H 1 22.08 0.068 . . . 558 F . . 558 F . 18477 2 101 . 1 1 146 146 PHE N N 15 . 1 1 146 146 PHE H H 1 23.04 0.121 . . . 559 F . . 559 F . 18477 2 102 . 1 1 147 147 ASN N N 15 . 1 1 147 147 ASN H H 1 23.57 0.082 . . . 560 N . . 560 N . 18477 2 103 . 1 1 148 148 LYS N N 15 . 1 1 148 148 LYS H H 1 21.86 0.064 . . . 561 K . . 561 K . 18477 2 104 . 1 1 149 149 THR N N 15 . 1 1 149 149 THR H H 1 21.18 0.083 . . . 562 T . . 562 T . 18477 2 105 . 1 1 151 151 LEU N N 15 . 1 1 151 151 LEU H H 1 22.33 0.101 . . . 564 L . . 564 L . 18477 2 106 . 1 1 152 152 TYR N N 15 . 1 1 152 152 TYR H H 1 21.94 0.092 . . . 565 Y . . 565 Y . 18477 2 107 . 1 1 153 153 LYS N N 15 . 1 1 153 153 LYS H H 1 22.09 0.123 . . . 566 K . . 566 K . 18477 2 108 . 1 1 154 154 LEU N N 15 . 1 1 154 154 LEU H H 1 23.11 0.109 . . . 567 L . . 567 L . 18477 2 109 . 1 1 155 155 HIS N N 15 . 1 1 155 155 HIS H H 1 20.61 0.105 . . . 568 H . . 568 H . 18477 2 110 . 1 1 156 156 VAL N N 15 . 1 1 156 156 VAL H H 1 20.77 0.092 . . . 569 V . . 569 V . 18477 2 111 . 1 1 157 157 GLU N N 15 . 1 1 157 157 GLU H H 1 18.97 0.074 . . . 570 E . . 570 E . 18477 2 112 . 1 1 158 158 ASN N N 15 . 1 1 158 158 ASN H H 1 22.62 0.073 . . . 571 N . . 571 N . 18477 2 113 . 1 1 159 159 ALA N N 15 . 1 1 159 159 ALA H H 1 20.99 0.094 . . . 572 A . . 572 A . 18477 2 114 . 1 1 160 160 THR N N 15 . 1 1 160 160 THR H H 1 22.59 0.057 . . . 573 T . . 573 T . 18477 2 115 . 1 1 161 161 ASN N N 15 . 1 1 161 161 ASN H H 1 21.28 0.068 . . . 574 N . . 574 N . 18477 2 116 . 1 1 163 163 THR N N 15 . 1 1 163 163 THR H H 1 20.12 0.118 . . . 576 T . . 576 T . 18477 2 117 . 1 1 164 164 HIS N N 15 . 1 1 164 164 HIS H H 1 21.05 0.125 . . . 577 H . . 577 H . 18477 2 118 . 1 1 165 165 PHE N N 15 . 1 1 165 165 PHE H H 1 20.04 0.051 . . . 578 F . . 578 F . 18477 2 119 . 1 1 166 166 ARG N N 15 . 1 1 166 166 ARG H H 1 21.02 0.081 . . . 579 R . . 579 R . 18477 2 120 . 1 1 167 167 LEU N N 15 . 1 1 167 167 LEU H H 1 19.95 0.081 . . . 580 L . . 580 L . 18477 2 121 . 1 1 168 168 LEU N N 15 . 1 1 168 168 LEU H H 1 21.98 0.263 . . . 581 L . . 581 L . 18477 2 122 . 1 1 169 169 LYS N N 15 . 1 1 169 169 LYS H H 1 20.04 0.064 . . . 582 K . . 582 K . 18477 2 123 . 1 1 171 171 PHE N N 15 . 1 1 171 171 PHE H H 1 17.65 0.072 . . . 584 F . . 584 F . 18477 2 124 . 1 1 172 172 GLY N N 15 . 1 1 172 172 GLY H H 1 14.98 0.023 . . . 585 G . . 585 G . 18477 2 125 . 1 1 173 173 THR N N 15 . 1 1 173 173 THR H H 1 20.52 0.136 . . . 586 T . . 586 T . 18477 2 126 . 1 1 174 174 VAL N N 15 . 1 1 174 174 VAL H H 1 20.35 0.075 . . . 587 V . . 587 V . 18477 2 127 . 1 1 175 175 LYS N N 15 . 1 1 175 175 LYS H H 1 19.60 0.119 . . . 588 K . . 588 K . 18477 2 128 . 1 1 176 176 ILE N N 15 . 1 1 176 176 ILE H H 1 21.15 0.073 . . . 589 I . . 589 I . 18477 2 129 . 1 1 177 177 PHE N N 15 . 1 1 177 177 PHE H H 1 19.91 0.132 . . . 590 F . . 590 F . 18477 2 130 . 1 1 178 178 GLU N N 15 . 1 1 178 178 GLU H H 1 21.26 0.1 . . . 591 E . . 591 E . 18477 2 131 . 1 1 179 179 VAL N N 15 . 1 1 179 179 VAL H H 1 19.81 0.084 . . . 592 V . . 592 V . 18477 2 132 . 1 1 180 180 LYS N N 15 . 1 1 180 180 LYS H H 1 20.81 0.065 . . . 593 K . . 593 K . 18477 2 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronuclear_T1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_1 _Heteronucl_T1_list.Entry_ID 18477 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 2 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_2 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 8 '2D 1H-15N HSQC' . . . 18477 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 20 20 GLU N N 15 1.321 0.006 . . 433 E . 18477 1 2 . 1 1 21 21 MET N N 15 1.338 0.029 . . 434 M . 18477 1 3 . 1 1 25 25 TRP N N 15 1.173 0.007 . . 438 W . 18477 1 4 . 1 1 26 26 LYS N N 15 1.181 0.006 . . 439 K . 18477 1 5 . 1 1 27 27 GLU N N 15 1.187 0.0047 . . 440 E . 18477 1 6 . 1 1 28 28 ALA N N 15 1.191 0.0053 . . 441 A . 18477 1 7 . 1 1 29 29 LEU N N 15 1.203 0.0099 . . 442 L . 18477 1 8 . 1 1 30 30 ASN N N 15 1.156 0.0052 . . 443 N . 18477 1 9 . 1 1 31 31 TRP N N 15 1.239 0.005 . . 444 W . 18477 1 10 . 1 1 32 32 MET N N 15 1.168 0.0116 . . 445 M . 18477 1 11 . 1 1 33 33 LYS N N 15 1.188 0.004 . . 446 K . 18477 1 12 . 1 1 34 34 GLU N N 15 1.170 0.007 . . 447 E . 18477 1 13 . 1 1 35 35 ASN N N 15 1.134 0.0067 . . 448 N . 18477 1 14 . 1 1 37 37 GLU N N 15 1.421 0.0089 . . 450 E . 18477 1 15 . 1 1 38 38 ALA N N 15 1.462 0.0115 . . 451 A . 18477 1 16 . 1 1 39 39 GLN N N 15 1.357 0.0137 . . 452 Q . 18477 1 17 . 1 1 40 40 ASP N N 15 1.437 0.013 . . 453 D . 18477 1 18 . 1 1 41 41 TYR N N 15 1.439 0.0055 . . 454 Y . 18477 1 19 . 1 1 42 42 LEU N N 15 1.587 0.0042 . . 455 L . 18477 1 20 . 1 1 44 44 ALA N N 15 1.456 0.0106 . . 457 A . 18477 1 21 . 1 1 45 45 TYR N N 15 1.520 0.0041 . . 458 Y . 18477 1 22 . 1 1 46 46 GLU N N 15 1.540 0.0063 . . 459 E . 18477 1 23 . 1 1 47 47 LYS N N 15 1.495 0.003 . . 460 K . 18477 1 24 . 1 1 49 49 ASP N N 15 1.472 0.0055 . . 462 D . 18477 1 25 . 1 1 50 50 TYR N N 15 1.321 0.0084 . . 463 Y . 18477 1 26 . 1 1 51 51 ALA N N 15 1.210 0.0096 . . 464 A . 18477 1 27 . 1 1 52 52 VAL N N 15 1.187 0.011 . . 465 V . 18477 1 28 . 1 1 53 53 LEU N N 15 1.249 0.0169 . . 466 L . 18477 1 29 . 1 1 54 54 SER N N 15 1.286 0.0145 . . 467 S . 18477 1 30 . 1 1 55 55 TRP N N 15 1.229 0.0131 . . 468 W . 18477 1 31 . 1 1 57 57 ASP N N 15 1.248 0.0102 . . 470 D . 18477 1 32 . 1 1 58 58 TYR N N 15 1.261 0.0112 . . 471 Y . 18477 1 33 . 1 1 59 59 GLY N N 15 1.212 0.0098 . . 472 G . 18477 1 34 . 1 1 60 60 ASN N N 15 1.291 0.0102 . . 473 N . 18477 1 35 . 1 1 61 61 TRP N N 15 1.103 0.0066 . . 474 W . 18477 1 36 . 1 1 62 62 ILE N N 15 1.174 0.0093 . . 475 I . 18477 1 37 . 1 1 63 63 LEU N N 15 1.206 0.0093 . . 476 L . 18477 1 38 . 1 1 64 64 TYR N N 15 1.136 0.0149 . . 477 Y . 18477 1 39 . 1 1 65 65 VAL N N 15 1.141 0.0213 . . 478 V . 18477 1 40 . 1 1 66 66 ALA N N 15 1.186 0.0122 . . 479 A . 18477 1 41 . 1 1 67 67 LYS N N 15 1.193 0.0129 . . 480 K . 18477 1 42 . 1 1 68 68 LYS N N 15 1.152 0.0102 . . 481 K . 18477 1 43 . 1 1 69 69 ALA N N 15 1.182 0.0066 . . 482 A . 18477 1 44 . 1 1 70 70 VAL N N 15 0.969 0.0117 . . 483 V . 18477 1 45 . 1 1 76 76 GLN N N 15 1.325 0.0078 . . 489 Q . 18477 1 46 . 1 1 77 77 ALA N N 15 1.263 0.0075 . . 490 A . 18477 1 47 . 1 1 79 79 ALA N N 15 1.333 0.0075 . . 492 A . 18477 1 48 . 1 1 80 80 ASP N N 15 1.259 0.0064 . . 493 D . 18477 1 49 . 1 1 81 81 ASP N N 15 1.169 0.0072 . . 494 D . 18477 1 50 . 1 1 82 82 ALA N N 15 1.235 0.0062 . . 495 A . 18477 1 51 . 1 1 83 83 ALA N N 15 1.236 0.0109 . . 496 A . 18477 1 52 . 1 1 84 84 LYS N N 15 1.176 0.0073 . . 497 K . 18477 1 53 . 1 1 86 86 PHE N N 15 1.218 0.0082 . . 499 F . 18477 1 54 . 1 1 88 88 ALA N N 15 1.171 0.0041 . . 501 A . 18477 1 55 . 1 1 89 89 GLN N N 15 1.295 0.0088 . . 502 Q . 18477 1 56 . 1 1 90 90 SER N N 15 1.186 0.0038 . . 503 S . 18477 1 57 . 1 1 92 92 GLU N N 15 1.291 0.0043 . . 505 E . 18477 1 58 . 1 1 93 93 GLU N N 15 1.174 0.0046 . . 506 E . 18477 1 59 . 1 1 94 94 ALA N N 15 1.218 0.0042 . . 507 A . 18477 1 60 . 1 1 95 95 MET N N 15 1.157 0.0055 . . 508 M . 18477 1 61 . 1 1 96 96 LYS N N 15 1.155 0.0042 . . 509 K . 18477 1 62 . 1 1 97 97 ILE N N 15 1.147 0.0068 . . 510 I . 18477 1 63 . 1 1 98 98 VAL N N 15 1.152 0.0086 . . 511 V . 18477 1 64 . 1 1 99 99 GLU N N 15 1.140 0.0048 . . 512 E . 18477 1 65 . 1 1 100 100 LYS N N 15 1.130 0.0046 . . 513 K . 18477 1 66 . 1 1 101 101 ARG N N 15 1.135 0.0071 . . 514 R . 18477 1 67 . 1 1 102 102 LYS N N 15 1.228 0.0059 . . 515 K . 18477 1 68 . 1 1 103 103 VAL N N 15 1.163 0.0036 . . 516 V . 18477 1 69 . 1 1 104 104 ARG N N 15 1.222 0.0196 . . 517 R . 18477 1 70 . 1 1 105 105 TYR N N 15 1.235 0.0096 . . 518 Y . 18477 1 71 . 1 1 106 106 VAL N N 15 1.196 0.0071 . . 519 V . 18477 1 72 . 1 1 107 107 VAL N N 15 1.216 0.0096 . . 520 V . 18477 1 73 . 1 1 108 108 THR N N 15 1.212 0.0071 . . 521 T . 18477 1 74 . 1 1 109 109 VAL N N 15 1.131 0.0086 . . 522 V . 18477 1 75 . 1 1 110 110 GLU N N 15 1.171 0.012 . . 523 E . 18477 1 76 . 1 1 111 111 GLU N N 15 1.327 0.0161 . . 524 E . 18477 1 77 . 1 1 112 112 LEU N N 15 1.256 0.008 . . 525 L . 18477 1 78 . 1 1 113 113 THR N N 15 1.188 0.0079 . . 526 T . 18477 1 79 . 1 1 117 117 GLU N N 15 1.349 0.0092 . . 530 E . 18477 1 80 . 1 1 118 118 THR N N 15 1.461 0.0041 . . 531 T . 18477 1 81 . 1 1 121 121 THR N N 15 1.260 0.0209 . . 534 T . 18477 1 82 . 1 1 122 122 LYS N N 15 1.283 0.0174 . . 535 K . 18477 1 83 . 1 1 124 124 ILE N N 15 1.346 0.0381 . . 537 I . 18477 1 84 . 1 1 126 126 ILE N N 15 1.195 0.0092 . . 539 I . 18477 1 85 . 1 1 127 127 MET N N 15 1.189 0.0079 . . 540 M . 18477 1 86 . 1 1 128 128 GLN N N 15 1.244 0.006 . . 541 Q . 18477 1 87 . 1 1 129 129 ILE N N 15 1.227 0.0089 . . 542 I . 18477 1 88 . 1 1 130 130 ALA N N 15 1.255 0.0042 . . 543 A . 18477 1 89 . 1 1 131 131 GLY N N 15 1.170 0.0041 . . 544 G . 18477 1 90 . 1 1 132 132 TYR N N 15 1.131 0.0044 . . 545 Y . 18477 1 91 . 1 1 133 133 SER N N 15 1.480 0.0058 . . 546 S . 18477 1 92 . 1 1 135 135 GLU N N 15 1.223 0.0086 . . 548 E . 18477 1 93 . 1 1 136 136 TYR N N 15 1.164 0.0045 . . 549 Y . 18477 1 94 . 1 1 137 137 MET N N 15 1.075 0.0037 . . 550 M . 18477 1 95 . 1 1 138 138 LYS N N 15 1.144 0.0056 . . 551 K . 18477 1 96 . 1 1 140 140 LYS N N 15 1.137 0.0346 . . 553 K . 18477 1 97 . 1 1 142 142 ILE N N 15 1.169 0.0061 . . 555 I . 18477 1 98 . 1 1 143 143 ILE N N 15 1.166 0.0053 . . 556 I . 18477 1 99 . 1 1 144 144 ASP N N 15 1.144 0.0047 . . 557 D . 18477 1 100 . 1 1 145 145 PHE N N 15 1.178 0.0045 . . 558 F . 18477 1 101 . 1 1 146 146 PHE N N 15 1.169 0.0068 . . 559 F . 18477 1 102 . 1 1 147 147 ASN N N 15 1.162 0.0041 . . 560 N . 18477 1 103 . 1 1 148 148 LYS N N 15 1.182 0.0049 . . 561 K . 18477 1 104 . 1 1 149 149 THR N N 15 1.172 0.005 . . 562 T . 18477 1 105 . 1 1 151 151 LEU N N 15 1.211 0.006 . . 564 L . 18477 1 106 . 1 1 152 152 TYR N N 15 1.246 0.007 . . 565 Y . 18477 1 107 . 1 1 153 153 LYS N N 15 1.249 0.008 . . 566 K . 18477 1 108 . 1 1 154 154 LEU N N 15 1.193 0.006 . . 567 L . 18477 1 109 . 1 1 155 155 HIS N N 15 1.226 0.007 . . 568 H . 18477 1 110 . 1 1 156 156 VAL N N 15 1.258 0.006 . . 569 V . 18477 1 111 . 1 1 157 157 GLU N N 15 1.209 0.006 . . 570 E . 18477 1 112 . 1 1 158 158 ASN N N 15 1.266 0.004 . . 571 N . 18477 1 113 . 1 1 159 159 ALA N N 15 1.202 0.006 . . 572 A . 18477 1 114 . 1 1 160 160 THR N N 15 1.225 0.003 . . 573 T . 18477 1 115 . 1 1 161 161 ASN N N 15 1.258 0.005 . . 574 N . 18477 1 116 . 1 1 163 163 THR N N 15 1.076 0.007 . . 576 T . 18477 1 117 . 1 1 164 164 HIS N N 15 1.111 0.007 . . 577 H . 18477 1 118 . 1 1 165 165 PHE N N 15 1.138 0.003 . . 578 F . 18477 1 119 . 1 1 166 166 ARG N N 15 1.136 0.005 . . 579 R . 18477 1 120 . 1 1 167 167 LEU N N 15 1.214 0.006 . . 580 L . 18477 1 121 . 1 1 168 168 LEU N N 15 1.242 0.015 . . 581 L . 18477 1 122 . 1 1 169 169 LYS N N 15 1.175 0.005 . . 582 K . 18477 1 123 . 1 1 171 171 PHE N N 15 1.172 0.007 . . 584 F . 18477 1 124 . 1 1 172 172 GLY N N 15 1.216 0.003 . . 585 G . 18477 1 125 . 1 1 173 173 THR N N 15 1.231 0.010 . . 586 T . 18477 1 126 . 1 1 174 174 VAL N N 15 1.238 0.006 . . 587 V . 18477 1 127 . 1 1 175 175 LYS N N 15 1.226 0.008 . . 588 K . 18477 1 128 . 1 1 176 176 ILE N N 15 1.200 0.005 . . 589 I . 18477 1 129 . 1 1 177 177 PHE N N 15 1.190 0.006 . . 590 F . 18477 1 130 . 1 1 178 178 GLU N N 15 1.200 0.011 . . 591 E . 18477 1 131 . 1 1 179 179 VAL N N 15 1.152 0.006 . . 592 V . 18477 1 132 . 1 1 180 180 LYS N N 15 1.185 0.005 . . 593 K . 18477 1 stop_ save_ save_heteronuclear_T1_list_2 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_2 _Heteronucl_T1_list.Entry_ID 18477 _Heteronucl_T1_list.ID 2 _Heteronucl_T1_list.Sample_condition_list_ID 2 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_2 _Heteronucl_T1_list.Spectrometer_frequency_1H 700 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 8 '2D 1H-15N HSQC' . . . 18477 2 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 20 20 GLU N N 15 1.16 0.004 . . 433 E . 18477 2 2 . 1 1 21 21 MET N N 15 1.204 0.02 . . 434 M . 18477 2 3 . 1 1 25 25 TRP N N 15 0.958 0.005 . . 438 W . 18477 2 4 . 1 1 26 26 LYS N N 15 0.903 0.004 . . 439 K . 18477 2 5 . 1 1 27 27 GLU N N 15 0.921 0.003 . . 440 E . 18477 2 6 . 1 1 28 28 ALA N N 15 0.943 0.003 . . 441 A . 18477 2 7 . 1 1 29 29 LEU N N 15 0.942 0.007 . . 442 L . 18477 2 8 . 1 1 30 30 ASN N N 15 0.924 0.004 . . 443 N . 18477 2 9 . 1 1 31 31 TRP N N 15 0.951 0.003 . . 444 W . 18477 2 10 . 1 1 32 32 MET N N 15 0.958 0.008 . . 445 M . 18477 2 11 . 1 1 33 33 LYS N N 15 0.953 0.003 . . 446 K . 18477 2 12 . 1 1 34 34 GLU N N 15 0.946 0.004 . . 447 E . 18477 2 13 . 1 1 35 35 ASN N N 15 0.915 0.004 . . 448 N . 18477 2 14 . 1 1 37 37 GLU N N 15 1.216 0.006 . . 450 E . 18477 2 15 . 1 1 38 38 ALA N N 15 1.291 0.007 . . 451 A . 18477 2 16 . 1 1 39 39 GLN N N 15 1.247 0.009 . . 452 Q . 18477 2 17 . 1 1 40 40 ASP N N 15 1.319 0.008 . . 453 D . 18477 2 18 . 1 1 41 41 TYR N N 15 1.307 0.004 . . 454 Y . 18477 2 19 . 1 1 42 42 LEU N N 15 1.375 0.003 . . 455 L . 18477 2 20 . 1 1 44 44 ALA N N 15 1.343 0.006 . . 457 A . 18477 2 21 . 1 1 45 45 TYR N N 15 1.366 0.003 . . 458 Y . 18477 2 22 . 1 1 46 46 GLU N N 15 1.382 0.003 . . 459 E . 18477 2 23 . 1 1 47 47 LYS N N 15 1.339 0.002 . . 460 K . 18477 2 24 . 1 1 49 49 ASP N N 15 1.293 0.004 . . 462 D . 18477 2 25 . 1 1 50 50 TYR N N 15 1.05 0.006 . . 463 Y . 18477 2 26 . 1 1 51 51 ALA N N 15 0.965 0.005 . . 464 A . 18477 2 27 . 1 1 52 52 VAL N N 15 0.92 0.009 . . 465 V . 18477 2 28 . 1 1 53 53 LEU N N 15 0.992 0.012 . . 466 L . 18477 2 29 . 1 1 54 54 SER N N 15 1.013 0.011 . . 467 S . 18477 2 30 . 1 1 55 55 TRP N N 15 1.015 0.011 . . 468 W . 18477 2 31 . 1 1 57 57 ASP N N 15 1.052 0.008 . . 470 D . 18477 2 32 . 1 1 58 58 TYR N N 15 1.068 0.009 . . 471 Y . 18477 2 33 . 1 1 59 59 GLY N N 15 1 0.007 . . 472 G . 18477 2 34 . 1 1 60 60 ASN N N 15 1.006 0.009 . . 473 N . 18477 2 35 . 1 1 61 61 TRP N N 15 0.919 0.004 . . 474 W . 18477 2 36 . 1 1 62 62 ILE N N 15 0.966 0.006 . . 475 I . 18477 2 37 . 1 1 63 63 LEU N N 15 0.942 0.006 . . 476 L . 18477 2 38 . 1 1 64 64 TYR N N 15 0.939 0.01 . . 477 Y . 18477 2 39 . 1 1 65 65 VAL N N 15 0.9 0.014 . . 478 V . 18477 2 40 . 1 1 66 66 ALA N N 15 0.967 0.009 . . 479 A . 18477 2 41 . 1 1 67 67 LYS N N 15 0.99 0.009 . . 480 K . 18477 2 42 . 1 1 68 68 LYS N N 15 0.938 0.007 . . 481 K . 18477 2 43 . 1 1 69 69 ALA N N 15 0.997 0.005 . . 482 A . 18477 2 44 . 1 1 70 70 VAL N N 15 0.859 0.012 . . 483 V . 18477 2 45 . 1 1 76 76 GLN N N 15 1.157 0.006 . . 489 Q . 18477 2 46 . 1 1 77 77 ALA N N 15 1.111 0.005 . . 490 A . 18477 2 47 . 1 1 79 79 ALA N N 15 1.144 0.006 . . 492 A . 18477 2 48 . 1 1 80 80 ASP N N 15 1.02 0.004 . . 493 D . 18477 2 49 . 1 1 81 81 ASP N N 15 0.958 0.006 . . 494 D . 18477 2 50 . 1 1 82 82 ALA N N 15 1.003 0.005 . . 495 A . 18477 2 51 . 1 1 83 83 ALA N N 15 0.977 0.008 . . 496 A . 18477 2 52 . 1 1 84 84 LYS N N 15 0.942 0.005 . . 497 K . 18477 2 53 . 1 1 86 86 PHE N N 15 0.995 0.005 . . 499 F . 18477 2 54 . 1 1 88 88 ALA N N 15 0.916 0.002 . . 501 A . 18477 2 55 . 1 1 89 89 GLN N N 15 1.053 0.005 . . 502 Q . 18477 2 56 . 1 1 90 90 SER N N 15 0.981 0.002 . . 503 S . 18477 2 57 . 1 1 92 92 GLU N N 15 1.073 0.003 . . 505 E . 18477 2 58 . 1 1 93 93 GLU N N 15 0.946 0.002 . . 506 E . 18477 2 59 . 1 1 94 94 ALA N N 15 0.967 0.003 . . 507 A . 18477 2 60 . 1 1 95 95 MET N N 15 0.913 0.003 . . 508 M . 18477 2 61 . 1 1 96 96 LYS N N 15 0.918 0.002 . . 509 K . 18477 2 62 . 1 1 97 97 ILE N N 15 0.918 0.003 . . 510 I . 18477 2 63 . 1 1 98 98 VAL N N 15 0.922 0.005 . . 511 V . 18477 2 64 . 1 1 99 99 GLU N N 15 0.883 0.003 . . 512 E . 18477 2 65 . 1 1 100 100 LYS N N 15 0.899 0.003 . . 513 K . 18477 2 66 . 1 1 101 101 ARG N N 15 0.914 0.005 . . 514 R . 18477 2 67 . 1 1 102 102 LYS N N 15 0.981 0.004 . . 515 K . 18477 2 68 . 1 1 103 103 VAL N N 15 0.973 0.002 . . 516 V . 18477 2 69 . 1 1 104 104 ARG N N 15 0.97 0.012 . . 517 R . 18477 2 70 . 1 1 105 105 TYR N N 15 1.021 0.006 . . 518 Y . 18477 2 71 . 1 1 106 106 VAL N N 15 0.93 0.005 . . 519 V . 18477 2 72 . 1 1 107 107 VAL N N 15 0.997 0.006 . . 520 V . 18477 2 73 . 1 1 108 108 THR N N 15 0.983 0.004 . . 521 T . 18477 2 74 . 1 1 109 109 VAL N N 15 0.935 0.004 . . 522 V . 18477 2 75 . 1 1 110 110 GLU N N 15 0.952 0.009 . . 523 E . 18477 2 76 . 1 1 111 111 GLU N N 15 1.059 0.012 . . 524 E . 18477 2 77 . 1 1 112 112 LEU N N 15 1.023 0.006 . . 525 L . 18477 2 78 . 1 1 113 113 THR N N 15 0.969 0.005 . . 526 T . 18477 2 79 . 1 1 117 117 GLU N N 15 1.193 0.007 . . 530 E . 18477 2 80 . 1 1 118 118 THR N N 15 1.264 0.002 . . 531 T . 18477 2 81 . 1 1 121 121 THR N N 15 1.135 0.012 . . 534 T . 18477 2 82 . 1 1 122 122 LYS N N 15 1.037 0.009 . . 535 K . 18477 2 83 . 1 1 124 124 ILE N N 15 0.971 0.024 . . 537 I . 18477 2 84 . 1 1 126 126 ILE N N 15 0.957 0.007 . . 539 I . 18477 2 85 . 1 1 127 127 MET N N 15 0.965 0.005 . . 540 M . 18477 2 86 . 1 1 128 128 GLN N N 15 0.988 0.004 . . 541 Q . 18477 2 87 . 1 1 129 129 ILE N N 15 0.987 0.005 . . 542 I . 18477 2 88 . 1 1 130 130 ALA N N 15 1.027 0.003 . . 543 A . 18477 2 89 . 1 1 131 131 GLY N N 15 0.943 0.003 . . 544 G . 18477 2 90 . 1 1 132 132 TYR N N 15 0.906 0.003 . . 545 Y . 18477 2 91 . 1 1 133 133 SER N N 15 1.327 0.003 . . 546 S . 18477 2 92 . 1 1 135 135 GLU N N 15 1.007 0.006 . . 548 E . 18477 2 93 . 1 1 136 136 TYR N N 15 0.954 0.002 . . 549 Y . 18477 2 94 . 1 1 137 137 MET N N 15 0.877 0.002 . . 550 M . 18477 2 95 . 1 1 138 138 LYS N N 15 0.922 0.004 . . 551 K . 18477 2 96 . 1 1 140 140 LYS N N 15 1.113 0.024 . . 553 K . 18477 2 97 . 1 1 142 142 ILE N N 15 0.934 0.004 . . 555 I . 18477 2 98 . 1 1 143 143 ILE N N 15 0.995 0.003 . . 556 I . 18477 2 99 . 1 1 144 144 ASP N N 15 0.899 0.003 . . 557 D . 18477 2 100 . 1 1 145 145 PHE N N 15 1.363 0.004 . . 558 F . 18477 2 101 . 1 1 146 146 PHE N N 15 0.899 0.005 . . 559 F . 18477 2 102 . 1 1 147 147 ASN N N 15 0.921 0.003 . . 560 N . 18477 2 103 . 1 1 148 148 LYS N N 15 0.936 0.003 . . 561 K . 18477 2 104 . 1 1 149 149 THR N N 15 0.939 0.004 . . 562 T . 18477 2 105 . 1 1 151 151 LEU N N 15 0.981 0.004 . . 564 L . 18477 2 106 . 1 1 152 152 TYR N N 15 0.98 0.004 . . 565 Y . 18477 2 107 . 1 1 153 153 LYS N N 15 0.995 0.005 . . 566 K . 18477 2 108 . 1 1 154 154 LEU N N 15 0.916 0.004 . . 567 L . 18477 2 109 . 1 1 155 155 HIS N N 15 0.952 0.005 . . 568 H . 18477 2 110 . 1 1 156 156 VAL N N 15 0.98 0.004 . . 569 V . 18477 2 111 . 1 1 157 157 GLU N N 15 0.961 0.004 . . 570 E . 18477 2 112 . 1 1 158 158 ASN N N 15 0.988 0.003 . . 571 N . 18477 2 113 . 1 1 159 159 ALA N N 15 0.944 0.004 . . 572 A . 18477 2 114 . 1 1 160 160 THR N N 15 0.976 0.002 . . 573 T . 18477 2 115 . 1 1 161 161 ASN N N 15 1.023 0.003 . . 574 N . 18477 2 116 . 1 1 163 163 THR N N 15 0.918 0.006 . . 576 T . 18477 2 117 . 1 1 164 164 HIS N N 15 0.895 0.006 . . 577 H . 18477 2 118 . 1 1 165 165 PHE N N 15 0.914 0.002 . . 578 F . 18477 2 119 . 1 1 166 166 ARG N N 15 0.899 0.004 . . 579 R . 18477 2 120 . 1 1 167 167 LEU N N 15 0.986 0.004 . . 580 L . 18477 2 121 . 1 1 168 168 LEU N N 15 0.967 0.01 . . 581 L . 18477 2 122 . 1 1 169 169 LYS N N 15 0.929 0.003 . . 582 K . 18477 2 123 . 1 1 171 171 PHE N N 15 0.938 0.004 . . 584 F . 18477 2 124 . 1 1 172 172 GLY N N 15 1.059 0.002 . . 585 G . 18477 2 125 . 1 1 173 173 THR N N 15 1.036 0.006 . . 586 T . 18477 2 126 . 1 1 174 174 VAL N N 15 1.02 0.004 . . 587 V . 18477 2 127 . 1 1 175 175 LYS N N 15 0.98 0.006 . . 588 K . 18477 2 128 . 1 1 176 176 ILE N N 15 0.965 0.003 . . 589 I . 18477 2 129 . 1 1 177 177 PHE N N 15 0.952 0.007 . . 590 F . 18477 2 130 . 1 1 178 178 GLU N N 15 0.957 0.004 . . 591 E . 18477 2 131 . 1 1 179 179 VAL N N 15 0.924 0.004 . . 592 V . 18477 2 132 . 1 1 180 180 LYS N N 15 0.969 0.003 . . 593 K . 18477 2 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_T2_list_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_1 _Heteronucl_T2_list.Entry_ID 18477 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 2 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_2 _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'single scan interleaving' _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units s-1 _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 8 '2D 1H-15N HSQC' . . . 18477 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 20 20 GLU N N 15 13.57 0.05 . . . . 433 E . 18477 1 2 . 1 1 21 21 MET N N 15 16.98 0.3 . . . . 434 M . 18477 1 3 . 1 1 25 25 TRP N N 15 17.39 0.085 . . . . 438 W . 18477 1 4 . 1 1 26 26 LYS N N 15 17.89 0.074 . . . . 439 K . 18477 1 5 . 1 1 27 27 GLU N N 15 18.34 0.052 . . . . 440 E . 18477 1 6 . 1 1 28 28 ALA N N 15 17.08 0.054 . . . . 441 A . 18477 1 7 . 1 1 29 29 LEU N N 15 17.76 0.105 . . . . 442 L . 18477 1 8 . 1 1 30 30 ASN N N 15 18.42 0.073 . . . . 443 N . 18477 1 9 . 1 1 31 31 TRP N N 15 14.98 0.045 . . . . 444 W . 18477 1 10 . 1 1 32 32 MET N N 15 18.76 0.145 . . . . 445 M . 18477 1 11 . 1 1 33 33 LYS N N 15 17.50 0.053 . . . . 446 K . 18477 1 12 . 1 1 34 34 GLU N N 15 17.16 0.078 . . . . 447 E . 18477 1 13 . 1 1 35 35 ASN N N 15 17.04 0.074 . . . . 448 N . 18477 1 14 . 1 1 37 37 GLU N N 15 15.04 0.069 . . . . 450 E . 18477 1 15 . 1 1 38 38 ALA N N 15 15.29 0.095 . . . . 451 A . 18477 1 16 . 1 1 39 39 GLN N N 15 12.00 0.099 . . . . 452 Q . 18477 1 17 . 1 1 40 40 ASP N N 15 10.90 0.081 . . . . 453 D . 18477 1 18 . 1 1 41 41 TYR N N 15 14.60 0.049 . . . . 454 Y . 18477 1 19 . 1 1 42 42 LEU N N 15 11.86 0.025 . . . . 455 L . 18477 1 20 . 1 1 44 44 ALA N N 15 10.57 0.06 . . . . 457 A . 18477 1 21 . 1 1 45 45 TYR N N 15 12.80 0.034 . . . . 458 Y . 18477 1 22 . 1 1 46 46 GLU N N 15 10.41 0.031 . . . . 459 E . 18477 1 23 . 1 1 47 47 LYS N N 15 9.65 0.016 . . . . 460 K . 18477 1 24 . 1 1 49 49 ASP N N 15 11.89 0.036 . . . . 462 D . 18477 1 25 . 1 1 50 50 TYR N N 15 19.03 0.108 . . . . 463 Y . 18477 1 26 . 1 1 51 51 ALA N N 15 17.32 0.097 . . . . 464 A . 18477 1 27 . 1 1 52 52 VAL N N 15 16.60 0.115 . . . . 465 V . 18477 1 28 . 1 1 53 53 LEU N N 15 18.85 0.213 . . . . 466 L . 18477 1 29 . 1 1 54 54 SER N N 15 16.98 0.159 . . . . 467 S . 18477 1 30 . 1 1 55 55 TRP N N 15 20.27 0.2 . . . . 468 W . 18477 1 31 . 1 1 57 57 ASP N N 15 21.84 0.183 . . . . 470 D . 18477 1 32 . 1 1 58 58 TYR N N 15 22.38 0.205 . . . . 471 Y . 18477 1 33 . 1 1 59 59 GLY N N 15 18.41 0.115 . . . . 472 G . 18477 1 34 . 1 1 60 60 ASN N N 15 19.71 0.143 . . . . 473 N . 18477 1 35 . 1 1 61 61 TRP N N 15 17.88 0.075 . . . . 474 W . 18477 1 36 . 1 1 62 62 ILE N N 15 19.99 0.134 . . . . 475 I . 18477 1 37 . 1 1 63 63 LEU N N 15 18.87 0.113 . . . . 476 L . 18477 1 38 . 1 1 64 64 TYR N N 15 22.31 0.269 . . . . 477 Y . 18477 1 39 . 1 1 65 65 VAL N N 15 25.25 0.55 . . . . 478 V . 18477 1 40 . 1 1 66 66 ALA N N 15 24.48 0.287 . . . . 479 A . 18477 1 41 . 1 1 67 67 LYS N N 15 20.75 0.19 . . . . 480 K . 18477 1 42 . 1 1 68 68 LYS N N 15 18.20 0.124 . . . . 481 K . 18477 1 43 . 1 1 69 69 ALA N N 15 15.44 0.057 . . . . 482 A . 18477 1 44 . 1 1 70 70 VAL N N 15 9.62 0.087 . . . . 483 V . 18477 1 45 . 1 1 76 76 GLN N N 15 20.02 0.106 . . . . 489 Q . 18477 1 46 . 1 1 77 77 ALA N N 15 13.08 0.054 . . . . 490 A . 18477 1 47 . 1 1 79 79 ALA N N 15 17.04 0.081 . . . . 492 A . 18477 1 48 . 1 1 80 80 ASP N N 15 18.13 0.069 . . . . 493 D . 18477 1 49 . 1 1 81 81 ASP N N 15 18.16 0.096 . . . . 494 D . 18477 1 50 . 1 1 82 82 ALA N N 15 16.41 0.068 . . . . 495 A . 18477 1 51 . 1 1 83 83 ALA N N 15 16.97 0.106 . . . . 496 A . 18477 1 52 . 1 1 84 84 LYS N N 15 16.91 0.078 . . . . 497 K . 18477 1 53 . 1 1 86 86 PHE N N 15 17.19 0.092 . . . . 499 F . 18477 1 54 . 1 1 88 88 ALA N N 15 17.82 0.049 . . . . 501 A . 18477 1 55 . 1 1 89 89 GLN N N 15 14.57 0.069 . . . . 502 Q . 18477 1 56 . 1 1 90 90 SER N N 15 14.46 0.025 . . . . 503 S . 18477 1 57 . 1 1 92 92 GLU N N 15 16.64 0.042 . . . . 505 E . 18477 1 58 . 1 1 93 93 GLU N N 15 16.79 0.04 . . . . 506 E . 18477 1 59 . 1 1 94 94 ALA N N 15 16.03 0.04 . . . . 507 A . 18477 1 60 . 1 1 95 95 MET N N 15 17.68 0.059 . . . . 508 M . 18477 1 61 . 1 1 96 96 LYS N N 15 18.14 0.048 . . . . 509 K . 18477 1 62 . 1 1 97 97 ILE N N 15 16.99 0.064 . . . . 510 I . 18477 1 63 . 1 1 98 98 VAL N N 15 18.05 0.096 . . . . 511 V . 18477 1 64 . 1 1 99 99 GLU N N 15 18.30 0.057 . . . . 512 E . 18477 1 65 . 1 1 100 100 LYS N N 15 17.15 0.044 . . . . 513 K . 18477 1 66 . 1 1 101 101 ARG N N 15 16.92 0.079 . . . . 514 R . 18477 1 67 . 1 1 102 102 LYS N N 15 18.96 0.066 . . . . 515 K . 18477 1 68 . 1 1 103 103 VAL N N 15 17.31 0.038 . . . . 516 V . 18477 1 69 . 1 1 104 104 ARG N N 15 16.41 0.197 . . . . 517 R . 18477 1 70 . 1 1 105 105 TYR N N 15 15.57 0.098 . . . . 518 Y . 18477 1 71 . 1 1 106 106 VAL N N 15 15.38 0.076 . . . . 519 V . 18477 1 72 . 1 1 107 107 VAL N N 15 15.86 0.096 . . . . 520 V . 18477 1 73 . 1 1 108 108 THR N N 15 17.10 0.079 . . . . 521 T . 18477 1 74 . 1 1 109 109 VAL N N 15 17.07 0.091 . . . . 522 V . 18477 1 75 . 1 1 110 110 GLU N N 15 17.40 0.152 . . . . 523 E . 18477 1 76 . 1 1 111 111 GLU N N 15 18.29 0.199 . . . . 524 E . 18477 1 77 . 1 1 112 112 LEU N N 15 18.74 0.106 . . . . 525 L . 18477 1 78 . 1 1 113 113 THR N N 15 16.88 0.083 . . . . 526 T . 18477 1 79 . 1 1 117 117 GLU N N 15 14.42 0.08 . . . . 530 E . 18477 1 80 . 1 1 118 118 THR N N 15 15.43 0.037 . . . . 531 T . 18477 1 81 . 1 1 121 121 THR N N 15 21.39 0.378 . . . . 534 T . 18477 1 82 . 1 1 122 122 LYS N N 15 20.79 0.258 . . . . 535 K . 18477 1 83 . 1 1 124 124 ILE N N 15 20.18 0.607 . . . . 537 I . 18477 1 84 . 1 1 126 126 ILE N N 15 17.34 0.114 . . . . 539 I . 18477 1 85 . 1 1 127 127 MET N N 15 16.71 0.078 . . . . 540 M . 18477 1 86 . 1 1 128 128 GLN N N 15 16.72 0.064 . . . . 541 Q . 18477 1 87 . 1 1 129 129 ILE N N 15 16.00 0.076 . . . . 542 I . 18477 1 88 . 1 1 130 130 ALA N N 15 15.80 0.042 . . . . 543 A . 18477 1 89 . 1 1 131 131 GLY N N 15 16.56 0.048 . . . . 544 G . 18477 1 90 . 1 1 132 132 TYR N N 15 16.63 0.047 . . . . 545 Y . 18477 1 91 . 1 1 133 133 SER N N 15 11.70 0.035 . . . . 546 S . 18477 1 92 . 1 1 135 135 GLU N N 15 16.61 0.081 . . . . 548 E . 18477 1 93 . 1 1 136 136 TYR N N 15 16.15 0.044 . . . . 549 Y . 18477 1 94 . 1 1 137 137 MET N N 15 15.13 0.036 . . . . 550 M . 18477 1 95 . 1 1 138 138 LYS N N 15 14.69 0.049 . . . . 551 K . 18477 1 96 . 1 1 140 140 LYS N N 15 17.50 0.42 . . . . 553 K . 18477 1 97 . 1 1 142 142 ILE N N 15 16.72 0.071 . . . . 555 I . 18477 1 98 . 1 1 143 143 ILE N N 15 16.69 0.054 . . . . 556 I . 18477 1 99 . 1 1 144 144 ASP N N 15 17.66 0.048 . . . . 557 D . 18477 1 100 . 1 1 145 145 PHE N N 15 16.87 0.047 . . . . 558 F . 18477 1 101 . 1 1 146 146 PHE N N 15 17.40 0.077 . . . . 559 F . 18477 1 102 . 1 1 147 147 ASN N N 15 18.53 0.056 . . . . 560 N . 18477 1 103 . 1 1 148 148 LYS N N 15 17.33 0.053 . . . . 561 K . 18477 1 104 . 1 1 149 149 THR N N 15 15.71 0.055 . . . . 562 T . 18477 1 105 . 1 1 151 151 LEU N N 15 17.21 0.068 . . . . 564 L . 18477 1 106 . 1 1 152 152 TYR N N 15 16.26 0.074 . . . . 565 Y . 18477 1 107 . 1 1 153 153 LYS N N 15 16.46 0.081 . . . . 566 K . 18477 1 108 . 1 1 154 154 LEU N N 15 18.20 0.074 . . . . 567 L . 18477 1 109 . 1 1 155 155 HIS N N 15 16.72 0.08 . . . . 568 H . 18477 1 110 . 1 1 156 156 VAL N N 15 16.81 0.065 . . . . 569 V . 18477 1 111 . 1 1 157 157 GLU N N 15 15.55 0.057 . . . . 570 E . 18477 1 112 . 1 1 158 158 ASN N N 15 17.64 0.054 . . . . 571 N . 18477 1 113 . 1 1 159 159 ALA N N 15 17.25 0.076 . . . . 572 A . 18477 1 114 . 1 1 160 160 THR N N 15 18.62 0.04 . . . . 573 T . 18477 1 115 . 1 1 161 161 ASN N N 15 16.41 0.051 . . . . 574 N . 18477 1 116 . 1 1 163 163 THR N N 15 15.47 0.074 . . . . 576 T . 18477 1 117 . 1 1 164 164 HIS N N 15 15.79 0.076 . . . . 577 H . 18477 1 118 . 1 1 165 165 PHE N N 15 16.82 0.039 . . . . 578 F . 18477 1 119 . 1 1 166 166 ARG N N 15 16.43 0.06 . . . . 579 R . 18477 1 120 . 1 1 167 167 LEU N N 15 15.89 0.064 . . . . 580 L . 18477 1 121 . 1 1 168 168 LEU N N 15 18.07 0.186 . . . . 581 L . 18477 1 122 . 1 1 169 169 LYS N N 15 16.23 0.054 . . . . 582 K . 18477 1 123 . 1 1 171 171 PHE N N 15 15.09 0.069 . . . . 584 F . 18477 1 124 . 1 1 172 172 GLY N N 15 10.83 0.018 . . . . 585 G . 18477 1 125 . 1 1 173 173 THR N N 15 15.78 0.102 . . . . 586 T . 18477 1 126 . 1 1 174 174 VAL N N 15 15.47 0.056 . . . . 587 V . 18477 1 127 . 1 1 175 175 LYS N N 15 16.11 0.084 . . . . 588 K . 18477 1 128 . 1 1 176 176 ILE N N 15 16.48 0.052 . . . . 589 I . 18477 1 129 . 1 1 177 177 PHE N N 15 15.95 0.111 . . . . 590 F . 18477 1 130 . 1 1 178 178 GLU N N 15 15.98 0.068 . . . . 591 E . 18477 1 131 . 1 1 179 179 VAL N N 15 16.67 0.069 . . . . 592 V . 18477 1 132 . 1 1 180 180 LYS N N 15 16.66 0.057 . . . . 593 K . 18477 1 stop_ save_ save_heteronuclear_T2_list_2 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_2 _Heteronucl_T2_list.Entry_ID 18477 _Heteronucl_T2_list.ID 2 _Heteronucl_T2_list.Sample_condition_list_ID 2 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_2 _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'single scan interleaving' _Heteronucl_T2_list.Spectrometer_frequency_1H 700 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units s-1 _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 8 '2D 1H-15N HSQC' . . . 18477 2 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 20 20 GLU N N 15 17.90 0.053 . . . . 433 E . 18477 2 2 . 1 1 21 21 MET N N 15 22.55 0.435 . . . . 434 M . 18477 2 3 . 1 1 25 25 TRP N N 15 21.85 0.115 . . . . 438 W . 18477 2 4 . 1 1 26 26 LYS N N 15 23.18 0.109 . . . . 439 K . 18477 2 5 . 1 1 27 27 GLU N N 15 23.43 0.087 . . . . 440 E . 18477 2 6 . 1 1 28 28 ALA N N 15 21.78 0.078 . . . . 441 A . 18477 2 7 . 1 1 29 29 LEU N N 15 22.43 0.159 . . . . 442 L . 18477 2 8 . 1 1 30 30 ASN N N 15 23.70 0.121 . . . . 443 N . 18477 2 9 . 1 1 31 31 TRP N N 15 21.22 0.08 . . . . 444 W . 18477 2 10 . 1 1 32 32 MET N N 15 24.33 0.247 . . . . 445 M . 18477 2 11 . 1 1 33 33 LYS N N 15 22.68 0.08 . . . . 446 K . 18477 2 12 . 1 1 34 34 GLU N N 15 20.40 0.092 . . . . 447 E . 18477 2 13 . 1 1 35 35 ASN N N 15 20.52 0.098 . . . . 448 N . 18477 2 14 . 1 1 37 37 GLU N N 15 19.57 0.102 . . . . 450 E . 18477 2 15 . 1 1 38 38 ALA N N 15 19.46 0.11 . . . . 451 A . 18477 2 16 . 1 1 39 39 GLN N N 15 15.26 0.1 . . . . 452 Q . 18477 2 17 . 1 1 40 40 ASP N N 15 14.21 0.08 . . . . 453 D . 18477 2 18 . 1 1 41 41 TYR N N 15 18.52 0.061 . . . . 454 Y . 18477 2 19 . 1 1 42 42 LEU N N 15 15.51 0.027 . . . . 455 L . 18477 2 20 . 1 1 44 44 ALA N N 15 13.30 0.057 . . . . 457 A . 18477 2 21 . 1 1 45 45 TYR N N 15 15.99 0.039 . . . . 458 Y . 18477 2 22 . 1 1 46 46 GLU N N 15 13.18 0.03 . . . . 459 E . 18477 2 23 . 1 1 47 47 LYS N N 15 12.28 0.017 . . . . 460 K . 18477 2 24 . 1 1 49 49 ASP N N 15 15.29 0.039 . . . . 462 D . 18477 2 25 . 1 1 50 50 TYR N N 15 22.50 0.169 . . . . 463 Y . 18477 2 26 . 1 1 51 51 ALA N N 15 22.82 0.143 . . . . 464 A . 18477 2 27 . 1 1 52 52 VAL N N 15 22.64 0.215 . . . . 465 V . 18477 2 28 . 1 1 53 53 LEU N N 15 22.70 0.31 . . . . 466 L . 18477 2 29 . 1 1 54 54 SER N N 15 23.46 0.316 . . . . 467 S . 18477 2 30 . 1 1 55 55 TRP N N 15 26.96 0.43 . . . . 468 W . 18477 2 31 . 1 1 57 57 ASP N N 15 29.86 0.451 . . . . 470 D . 18477 2 32 . 1 1 58 58 TYR N N 15 28.39 0.369 . . . . 471 Y . 18477 2 33 . 1 1 59 59 GLY N N 15 32.54 0.423 . . . . 472 G . 18477 2 34 . 1 1 60 60 ASN N N 15 27.17 0.353 . . . . 473 N . 18477 2 35 . 1 1 61 61 TRP N N 15 23.37 0.126 . . . . 474 W . 18477 2 36 . 1 1 62 62 ILE N N 15 25.27 0.208 . . . . 475 I . 18477 2 37 . 1 1 63 63 LEU N N 15 25.34 0.215 . . . . 476 L . 18477 2 38 . 1 1 64 64 TYR N N 15 28.71 0.463 . . . . 477 Y . 18477 2 39 . 1 1 65 65 VAL N N 15 35.67 1.068 . . . . 478 V . 18477 2 40 . 1 1 66 66 ALA N N 15 31.44 0.508 . . . . 479 A . 18477 2 41 . 1 1 67 67 LYS N N 15 28.08 0.373 . . . . 480 K . 18477 2 42 . 1 1 68 68 LYS N N 15 23.12 0.215 . . . . 481 K . 18477 2 43 . 1 1 69 69 ALA N N 15 21.22 0.1 . . . . 482 A . 18477 2 44 . 1 1 70 70 VAL N N 15 25.21 0.544 . . . . 483 V . 18477 2 45 . 1 1 76 76 GLN N N 15 25.72 0.198 . . . . 489 Q . 18477 2 46 . 1 1 77 77 ALA N N 15 17.47 0.074 . . . . 490 A . 18477 2 47 . 1 1 79 79 ALA N N 15 21.91 0.15 . . . . 492 A . 18477 2 48 . 1 1 80 80 ASP N N 15 24.22 0.132 . . . . 493 D . 18477 2 49 . 1 1 81 81 ASP N N 15 23.73 0.166 . . . . 494 D . 18477 2 50 . 1 1 82 82 ALA N N 15 21.82 0.11 . . . . 495 A . 18477 2 51 . 1 1 83 83 ALA N N 15 22.40 0.214 . . . . 496 A . 18477 2 52 . 1 1 84 84 LYS N N 15 23.08 0.134 . . . . 497 K . 18477 2 53 . 1 1 86 86 PHE N N 15 21.27 0.127 . . . . 499 F . 18477 2 54 . 1 1 88 88 ALA N N 15 21.58 0.053 . . . . 501 A . 18477 2 55 . 1 1 89 89 GLN N N 15 18.65 0.095 . . . . 502 Q . 18477 2 56 . 1 1 90 90 SER N N 15 17.39 0.026 . . . . 503 S . 18477 2 57 . 1 1 92 92 GLU N N 15 21.70 0.061 . . . . 505 E . 18477 2 58 . 1 1 93 93 GLU N N 15 21.72 0.058 . . . . 506 E . 18477 2 59 . 1 1 94 94 ALA N N 15 20.92 0.064 . . . . 507 A . 18477 2 60 . 1 1 95 95 MET N N 15 21.85 0.093 . . . . 508 M . 18477 2 61 . 1 1 96 96 LYS N N 15 23.78 0.075 . . . . 509 K . 18477 2 62 . 1 1 97 97 ILE N N 15 22.54 0.087 . . . . 510 I . 18477 2 63 . 1 1 98 98 VAL N N 15 22.96 0.148 . . . . 511 V . 18477 2 64 . 1 1 99 99 GLU N N 15 23.28 0.086 . . . . 512 E . 18477 2 65 . 1 1 100 100 LYS N N 15 22.32 0.068 . . . . 513 K . 18477 2 66 . 1 1 101 101 ARG N N 15 20.82 0.112 . . . . 514 R . 18477 2 67 . 1 1 102 102 LYS N N 15 24.22 0.111 . . . . 515 K . 18477 2 68 . 1 1 103 103 VAL N N 15 22.44 0.06 . . . . 516 V . 18477 2 69 . 1 1 104 104 ARG N N 15 21.51 0.287 . . . . 517 R . 18477 2 70 . 1 1 105 105 TYR N N 15 19.35 0.13 . . . . 518 Y . 18477 2 71 . 1 1 106 106 VAL N N 15 20.54 0.124 . . . . 519 V . 18477 2 72 . 1 1 107 107 VAL N N 15 19.71 0.101 . . . . 520 V . 18477 2 73 . 1 1 108 108 THR N N 15 22.18 0.114 . . . . 521 T . 18477 2 74 . 1 1 109 109 VAL N N 15 22.17 0.115 . . . . 522 V . 18477 2 75 . 1 1 110 110 GLU N N 15 20.88 0.21 . . . . 523 E . 18477 2 76 . 1 1 111 111 GLU N N 15 23.51 0.316 . . . . 524 E . 18477 2 77 . 1 1 112 112 LEU N N 15 23.89 0.166 . . . . 525 L . 18477 2 78 . 1 1 113 113 THR N N 15 21.04 0.117 . . . . 526 T . 18477 2 79 . 1 1 117 117 GLU N N 15 17.38 0.092 . . . . 530 E . 18477 2 80 . 1 1 118 118 THR N N 15 19.10 0.039 . . . . 531 T . 18477 2 81 . 1 1 121 121 THR N N 15 26.92 0.393 . . . . 534 T . 18477 2 82 . 1 1 122 122 LYS N N 15 26.14 0.342 . . . . 535 K . 18477 2 83 . 1 1 124 124 ILE N N 15 25.55 0.896 . . . . 537 I . 18477 2 84 . 1 1 126 126 ILE N N 15 21.44 0.153 . . . . 539 I . 18477 2 85 . 1 1 127 127 MET N N 15 21.89 0.116 . . . . 540 M . 18477 2 86 . 1 1 128 128 GLN N N 15 21.64 0.095 . . . . 541 Q . 18477 2 87 . 1 1 129 129 ILE N N 15 21.88 0.107 . . . . 542 I . 18477 2 88 . 1 1 130 130 ALA N N 15 20.51 0.055 . . . . 543 A . 18477 2 89 . 1 1 131 131 GLY N N 15 21.09 0.075 . . . . 544 G . 18477 2 90 . 1 1 132 132 TYR N N 15 21.54 0.066 . . . . 545 Y . 18477 2 91 . 1 1 133 133 SER N N 15 13.58 0.032 . . . . 546 S . 18477 2 92 . 1 1 135 135 GLU N N 15 22.50 0.136 . . . . 548 E . 18477 2 93 . 1 1 136 136 TYR N N 15 20.69 0.052 . . . . 549 Y . 18477 2 94 . 1 1 137 137 MET N N 15 20.05 0.048 . . . . 550 M . 18477 2 95 . 1 1 138 138 LYS N N 15 19.96 0.069 . . . . 551 K . 18477 2 96 . 1 1 140 140 LYS N N 15 20.21 0.509 . . . . 553 K . 18477 2 97 . 1 1 142 142 ILE N N 15 21.36 0.099 . . . . 555 I . 18477 2 98 . 1 1 143 143 ILE N N 15 20.63 0.062 . . . . 556 I . 18477 2 99 . 1 1 144 144 ASP N N 15 22.84 0.075 . . . . 557 D . 18477 2 100 . 1 1 145 145 PHE N N 15 22.08 0.068 . . . . 558 F . 18477 2 101 . 1 1 146 146 PHE N N 15 23.04 0.121 . . . . 559 F . 18477 2 102 . 1 1 147 147 ASN N N 15 23.57 0.082 . . . . 560 N . 18477 2 103 . 1 1 148 148 LYS N N 15 21.86 0.064 . . . . 561 K . 18477 2 104 . 1 1 149 149 THR N N 15 21.18 0.083 . . . . 562 T . 18477 2 105 . 1 1 151 151 LEU N N 15 22.33 0.101 . . . . 564 L . 18477 2 106 . 1 1 152 152 TYR N N 15 21.94 0.092 . . . . 565 Y . 18477 2 107 . 1 1 153 153 LYS N N 15 22.09 0.123 . . . . 566 K . 18477 2 108 . 1 1 154 154 LEU N N 15 23.11 0.109 . . . . 567 L . 18477 2 109 . 1 1 155 155 HIS N N 15 20.61 0.105 . . . . 568 H . 18477 2 110 . 1 1 156 156 VAL N N 15 20.77 0.092 . . . . 569 V . 18477 2 111 . 1 1 157 157 GLU N N 15 18.97 0.074 . . . . 570 E . 18477 2 112 . 1 1 158 158 ASN N N 15 22.62 0.073 . . . . 571 N . 18477 2 113 . 1 1 159 159 ALA N N 15 20.99 0.094 . . . . 572 A . 18477 2 114 . 1 1 160 160 THR N N 15 22.59 0.057 . . . . 573 T . 18477 2 115 . 1 1 161 161 ASN N N 15 21.28 0.068 . . . . 574 N . 18477 2 116 . 1 1 163 163 THR N N 15 20.12 0.118 . . . . 576 T . 18477 2 117 . 1 1 164 164 HIS N N 15 21.05 0.125 . . . . 577 H . 18477 2 118 . 1 1 165 165 PHE N N 15 20.04 0.051 . . . . 578 F . 18477 2 119 . 1 1 166 166 ARG N N 15 21.02 0.081 . . . . 579 R . 18477 2 120 . 1 1 167 167 LEU N N 15 19.95 0.081 . . . . 580 L . 18477 2 121 . 1 1 168 168 LEU N N 15 21.98 0.263 . . . . 581 L . 18477 2 122 . 1 1 169 169 LYS N N 15 20.04 0.064 . . . . 582 K . 18477 2 123 . 1 1 171 171 PHE N N 15 17.65 0.072 . . . . 584 F . 18477 2 124 . 1 1 172 172 GLY N N 15 14.98 0.023 . . . . 585 G . 18477 2 125 . 1 1 173 173 THR N N 15 20.52 0.136 . . . . 586 T . 18477 2 126 . 1 1 174 174 VAL N N 15 20.35 0.075 . . . . 587 V . 18477 2 127 . 1 1 175 175 LYS N N 15 19.60 0.119 . . . . 588 K . 18477 2 128 . 1 1 176 176 ILE N N 15 21.15 0.073 . . . . 589 I . 18477 2 129 . 1 1 177 177 PHE N N 15 19.91 0.132 . . . . 590 F . 18477 2 130 . 1 1 178 178 GLU N N 15 21.26 0.1 . . . . 591 E . 18477 2 131 . 1 1 179 179 VAL N N 15 19.81 0.084 . . . . 592 V . 18477 2 132 . 1 1 180 180 LYS N N 15 20.81 0.065 . . . . 593 K . 18477 2 stop_ save_ ###################### # Order parameters # ###################### save_order_parameter_list_1 _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode order_parameter_list_1 _Order_parameter_list.Entry_ID 18477 _Order_parameter_list.ID 1 _Order_parameter_list.Sample_condition_list_ID 2 _Order_parameter_list.Sample_condition_list_label $sample_conditions_2 _Order_parameter_list.Tau_e_val_units ps _Order_parameter_list.Tau_f_val_units . _Order_parameter_list.Tau_s_val_units . _Order_parameter_list.Rex_field_strength 600 _Order_parameter_list.Rex_val_units s _Order_parameter_list.Details . _Order_parameter_list.Text_data_format . _Order_parameter_list.Text_data . loop_ _Order_parameter_experiment.Experiment_ID _Order_parameter_experiment.Experiment_name _Order_parameter_experiment.Sample_ID _Order_parameter_experiment.Sample_label _Order_parameter_experiment.Sample_state _Order_parameter_experiment.Entry_ID _Order_parameter_experiment.Order_parameter_list_ID 8 '2D 1H-15N HSQC' . . . 18477 1 stop_ loop_ _Order_param.ID _Order_param.Assembly_atom_ID _Order_param.Entity_assembly_ID _Order_param.Entity_ID _Order_param.Comp_index_ID _Order_param.Seq_ID _Order_param.Comp_ID _Order_param.Atom_ID _Order_param.Atom_type _Order_param.Atom_isotope_number _Order_param.Order_param_val _Order_param.Order_param_val_fit_err _Order_param.Tau_e_val _Order_param.Tau_e_val_fit_err _Order_param.Tau_f_val _Order_param.Tau_f_val_fit_err _Order_param.Tau_s_val _Order_param.Tau_s_val_fit_err _Order_param.Rex_val _Order_param.Rex_val_fit_err _Order_param.Model_free_sum_squared_errs _Order_param.Model_fit _Order_param.Sf2_val _Order_param.Sf2_val_fit_err _Order_param.Ss2_val _Order_param.Ss2_val_fit_err _Order_param.SH2_val _Order_param.SH2_val_fit_err _Order_param.SN2_val _Order_param.SN2_val_fit_err _Order_param.Resonance_ID _Order_param.Auth_entity_assembly_ID _Order_param.Auth_seq_ID _Order_param.Auth_comp_ID _Order_param.Auth_atom_ID _Order_param.Entry_ID _Order_param.Order_parameter_list_ID 1 . 1 1 20 20 GLU N N 15 0.767 0.041 1042 165 . . . . . . . . . . . . . . . . . . 433 GLU . 18477 1 2 . 1 1 21 21 MET N N 15 0.783 0.052 1133 214 . . . . 4.39 1.37 . . . . . . . . . . . . 434 MET . 18477 1 3 . 1 1 25 25 TRP N N 15 0.979 0.031 . . . . . . . . . . . . . . . . . . . . 438 TRP . 18477 1 4 . 1 1 26 26 LYS N N 15 0.977 0.032 . . . . . . . . . . . . . . . . . . . . 439 LYS . 18477 1 5 . 1 1 27 27 GLU N N 15 0.977 0.032 . . . . . . . . . . . . . . . . . . . . 440 GLU . 18477 1 6 . 1 1 28 28 ALA N N 15 0.979 0.031 . . . . . . . . . . . . . . . . . . . . 441 ALA . 18477 1 7 . 1 1 29 29 LEU N N 15 0.98 0.031 . . . . . . . . . . . . . . . . . . . . 442 LEU . 18477 1 8 . 1 1 30 30 ASN N N 15 0.98 0.032 . . . . . . . . . . . . . . . . . . . . 443 ASN . 18477 1 9 . 1 1 31 31 TRP N N 15 0.978 0.032 . . . . . . . . . . . . . . . . . . . . 444 TRP . 18477 1 10 . 1 1 32 32 MET N N 15 0.976 0.036 . . . . . . . . . . . . . . . . . . . . 445 MET . 18477 1 11 . 1 1 33 33 LYS N N 15 0.979 0.032 . . . . . . . . . . . . . . . . . . . . 446 LYS . 18477 1 12 . 1 1 34 34 GLU N N 15 0.98 0.029 . . . . . . . . . . . . . . . . . . . . 447 GLU . 18477 1 13 . 1 1 35 35 ASN N N 15 0.979 0.03 . . . . . . . . . . . . . . . . . . . . 448 ASN . 18477 1 14 . 1 1 37 37 GLU N N 15 0.826 0.046 1486 358 . . . . . . . . . . . . . . . . . . 450 GLU . 18477 1 15 . 1 1 38 38 ALA N N 15 0.798 0.045 1234 295 . . . . . . . . . . . . . . . . . . 451 ALA . 18477 1 16 . 1 1 39 39 GLN N N 15 0.745 0.043 1077 158 . . . . . . . . . . . . . . . . . . 452 GLN . 18477 1 17 . 1 1 40 40 ASP N N 15 0.639 0.04 1256 120 . . . . . . . . . . . . . . . . . . 453 ASP . 18477 1 18 . 1 1 41 41 TYR N N 15 0.803 0.046 967 250 . . . . . . . . . . . . . . . . . . 454 TYR . 18477 1 19 . 1 1 42 42 LEU N N 15 0.693 0.047 1277 145 . . . . . . . . . . . . . . . . . . 455 LEU . 18477 1 20 . 1 1 44 44 ALA N N 15 0.619 0.039 1273 97 . . . . . . . . . . . . . . . . . . 457 ALA . 18477 1 21 . 1 1 45 45 TYR N N 15 0.712 0.048 1004 149 . . . . . . . . . . . . . . . . . . 458 TYR . 18477 1 22 . 1 1 46 46 GLU N N 15 0.615 0.046 1182 96 . . . . . . . . . . . . . . . . . . 459 GLU . 18477 1 23 . 1 1 47 47 LYS N N 15 0.598 0.039 1088 75 . . . . . . . . . . . . . . . . . . 460 LYS . 18477 1 24 . 1 1 49 49 ASP N N 15 0.716 0.038 1253 150 . . . . . . . . . . . . . . . . . . 462 ASP . 18477 1 25 . 1 1 50 50 TYR N N 15 0.853 0.045 878 262 . . . . 4.76 1.17 . . . . . . . . . . . . 463 TYR . 18477 1 26 . 1 1 51 51 ALA N N 15 0.98 0.029 . . . . . . . . . . . . . . . . . . . . 464 ALA . 18477 1 27 . 1 1 52 52 VAL N N 15 0.982 0.027 . . . . . . . . . . . . . . . . . . . . 465 VAL . 18477 1 28 . 1 1 53 53 LEU N N 15 0.979 0.031 . . . . . . . . . . . . . . . . . . . . 466 LEU . 18477 1 29 . 1 1 54 54 SER N N 15 0.978 0.034 . . . . . . . . . . . . . . . . . . . . 467 SER . 18477 1 30 . 1 1 55 55 TRP N N 15 0.97 0.043 . . . . . . 5.80 1.54 . . . . . . . . . . . . 468 TRP . 18477 1 31 . 1 1 57 57 ASP N N 15 0.967 0.047 . . . . . . 6.69 1.60 . . . . . . . . . . . . 470 ASP . 18477 1 32 . 1 1 58 58 TYR N N 15 0.969 0.043 . . . . . . 6.98 1.48 . . . . . . . . . . . . 471 TYR . 18477 1 33 . 1 1 60 60 ASN N N 15 0.976 0.038 . . . . . . 4.34 1.64 . . . . . . . . . . . . 473 ASN . 18477 1 34 . 1 1 61 61 TRP N N 15 0.975 0.031 . . . . . . . . . . . . . . . . . . . . 474 TRP . 18477 1 35 . 1 1 62 62 ILE N N 15 0.976 0.032 . . . . . . . . . . . . . . . . . . . . 475 ILE . 18477 1 36 . 1 1 63 63 LEU N N 15 0.98 0.03 . . . . . . . . . . . . . . . . . . . . 476 LEU . 18477 1 37 . 1 1 64 64 TYR N N 15 0.97 0.044 . . . . . . 6.21 1.57 . . . . . . . . . . . . 477 TYR . 18477 1 38 . 1 1 65 65 VAL N N 15 0.971 0.043 . . . . . . 10.17 1.76 . . . . . . . . . . . . 478 VAL . 18477 1 39 . 1 1 66 66 ALA N N 15 0.967 0.049 . . . . . . 8.74 1.81 . . . . . . . . . . . . 479 ALA . 18477 1 40 . 1 1 67 67 LYS N N 15 0.97 0.042 . . . . . . 5.88 1.62 . . . . . . . . . . . . 480 LYS . 18477 1 41 . 1 1 68 68 LYS N N 15 0.978 0.034 . . . . . . . . . . . . . . . . . . . . 481 LYS . 18477 1 42 . 1 1 69 69 ALA N N 15 0.978 0.031 . . . . . . . . . . . . . . . . . . . . 482 ALA . 18477 1 43 . 1 1 76 76 GLN N N 15 0.823 0.049 1442 336 . . . . 6.33 1.48 . . . . . . . . . . . . 489 GLN . 18477 1 44 . 1 1 77 77 ALA N N 15 0.82 0.038 628 187 . . . . . . . . . . . . . . . . . . 490 ALA . 18477 1 45 . 1 1 79 79 ALA N N 15 0.976 0.033 . . . . . . . . . . . . . . . . . . . . 492 ALA . 18477 1 46 . 1 1 80 80 ASP N N 15 0.978 0.032 . . . . . . . . . . . . . . . . . . . . 493 ASP . 18477 1 47 . 1 1 81 81 ASP N N 15 0.98 0.029 . . . . . . . . . . . . . . . . . . . . 494 ASP . 18477 1 48 . 1 1 82 82 ALA N N 15 0.979 0.032 . . . . . . . . . . . . . . . . . . . . 495 ALA . 18477 1 49 . 1 1 83 83 ALA N N 15 0.976 0.033 . . . . . . . . . . . . . . . . . . . . 496 ALA . 18477 1 50 . 1 1 84 84 LYS N N 15 0.978 0.032 . . . . . . . . . . . . . . . . . . . . 497 LYS . 18477 1 51 . 1 1 86 86 PHE N N 15 0.977 0.034 . . . . . . . . . . . . . . . . . . . . 499 PHE . 18477 1 52 . 1 1 88 88 ALA N N 15 0.98 0.031 . . . . . . . . . . . . . . . . . . . . 501 ALA . 18477 1 53 . 1 1 89 89 GLN N N 15 0.981 0.029 . . . . . . . . . . . . . . . . . . . . 502 GLN . 18477 1 54 . 1 1 90 90 SER N N 15 0.896 0.033 588 319 . . . . . . . . . . . . . . . . . . 503 SER . 18477 1 55 . 1 1 92 92 GLU N N 15 0.979 0.033 . . . . . . . . . . . . . . . . . . . . 505 GLU . 18477 1 56 . 1 1 93 93 GLU N N 15 0.979 0.03 . . . . . . . . . . . . . . . . . . . . 506 GLU . 18477 1 57 . 1 1 94 94 ALA N N 15 0.983 0.028 . . . . . . . . . . . . . . . . . . . . 507 ALA . 18477 1 58 . 1 1 95 95 MET N N 15 0.977 0.031 . . . . . . . . . . . . . . . . . . . . 508 MET . 18477 1 59 . 1 1 96 96 LYS N N 15 0.976 0.032 . . . . . . . . . . . . . . . . . . . . 509 LYS . 18477 1 60 . 1 1 97 97 ILE N N 15 0.981 0.028 . . . . . . . . . . . . . . . . . . . . 510 ILE . 18477 1 61 . 1 1 98 98 VAL N N 15 0.982 0.027 . . . . . . . . . . . . . . . . . . . . 511 VAL . 18477 1 62 . 1 1 99 99 GLU N N 15 0.979 0.031 . . . . . . . . . . . . . . . . . . . . 512 GLU . 18477 1 63 . 1 1 100 100 LYS N N 15 0.979 0.03 . . . . . . . . . . . . . . . . . . . . 513 LYS . 18477 1 64 . 1 1 101 101 ARG N N 15 0.982 0.029 . . . . . . . . . . . . . . . . . . . . 514 ARG . 18477 1 65 . 1 1 102 102 LYS N N 15 0.976 0.034 . . . . . . . . . . . . . . . . . . . . 515 LYS . 18477 1 66 . 1 1 103 103 VAL N N 15 0.981 0.032 . . . . . . . . . . . . . . . . . . . . 516 VAL . 18477 1 67 . 1 1 104 104 ARG N N 15 0.981 0.029 . . . . . . . . . . . . . . . . . . . . 517 ARG . 18477 1 68 . 1 1 105 105 TYR N N 15 0.979 0.031 . . . . . . . . . . . . . . . . . . . . 518 TYR . 18477 1 69 . 1 1 106 106 VAL N N 15 0.981 0.031 . . . . . . . . . . . . . . . . . . . . 519 VAL . 18477 1 70 . 1 1 107 107 VAL N N 15 0.979 0.029 . . . . . . . . . . . . . . . . . . . . 520 VAL . 18477 1 71 . 1 1 108 108 THR N N 15 0.981 0.027 . . . . . . . . . . . . . . . . . . . . 521 THR . 18477 1 72 . 1 1 109 109 VAL N N 15 0.978 0.031 . . . . . . . . . . . . . . . . . . . . 522 VAL . 18477 1 73 . 1 1 110 110 GLU N N 15 0.98 0.03 . . . . . . . . . . . . . . . . . . . . 523 GLU . 18477 1 74 . 1 1 111 111 GLU N N 15 0.978 0.03 . . . . . . . . . . . . . . . . . . . . 524 GLU . 18477 1 75 . 1 1 112 112 LEU N N 15 0.976 0.032 . . . . . . . . . . . . . . . . . . . . 525 LEU . 18477 1 76 . 1 1 113 113 THR N N 15 0.979 0.032 . . . . . . . . . . . . . . . . . . . . 526 THR . 18477 1 77 . 1 1 117 117 GLU N N 15 0.768 0.042 1050 178 . . . . . . . . . . . . . . . . . . 530 GLU . 18477 1 78 . 1 1 118 118 THR N N 15 0.801 0.047 988 266 . . . . . . . . . . . . . . . . . . 531 THR . 18477 1 79 . 1 1 121 121 THR N N 15 0.822 0.049 793 216 . . . . 7.99 1.55 . . . . . . . . . . . . 534 THR . 18477 1 80 . 1 1 122 122 LYS N N 15 0.97 0.046 . . . . . . 5.34 1.63 . . . . . . . . . . . . 535 LYS . 18477 1 81 . 1 1 124 124 ILE N N 15 0.972 0.044 . . . . . . 4.90 1.52 . . . . . . . . . . . . 537 ILE . 18477 1 82 . 1 1 126 126 ILE N N 15 0.979 0.031 . . . . . . . . . . . . . . . . . . . . 539 ILE . 18477 1 83 . 1 1 127 127 MET N N 15 0.979 0.031 . . . . . . . . . . . . . . . . . . . . 540 MET . 18477 1 84 . 1 1 128 128 GLN N N 15 0.978 0.033 . . . . . . . . . . . . . . . . . . . . 541 GLN . 18477 1 85 . 1 1 129 129 ILE N N 15 0.979 0.03 . . . . . . . . . . . . . . . . . . . . 542 ILE . 18477 1 86 . 1 1 130 130 ALA N N 15 0.977 0.032 . . . . . . . . . . . . . . . . . . . . 543 ALA . 18477 1 87 . 1 1 131 131 GLY N N 15 0.98 0.029 . . . . . . . . . . . . . . . . . . . . 544 GLY . 18477 1 88 . 1 1 132 132 TYR N N 15 0.983 0.026 . . . . . . . . . . . . . . . . . . . . 545 TYR . 18477 1 89 . 1 1 133 133 SER N N 15 0.697 0.043 1622 224 . . . . . . . . . . . . . . . . . . 546 SER . 18477 1 90 . 1 1 135 135 GLU N N 15 0.978 0.032 . . . . . . . . . . . . . . . . . . . . 548 GLU . 18477 1 91 . 1 1 136 136 TYR N N 15 0.907 0.032 709 404 . . . . . . . . . . . . . . . . . . 549 TYR . 18477 1 92 . 1 1 137 137 MET N N 15 0.953 0.039 . . . . . . . . . . . . . . . . . . . . 550 MET . 18477 1 93 . 1 1 138 138 LYS N N 15 0.958 0.038 . . . . . . . . . . . . . . . . . . . . 551 LYS . 18477 1 94 . 1 1 140 140 LYS N N 15 0.978 0.033 . . . . . . . . . . . . . . . . . . . . 553 LYS . 18477 1 95 . 1 1 142 142 ILE N N 15 0.98 0.03 . . . . . . . . . . . . . . . . . . . . 555 ILE . 18477 1 96 . 1 1 143 143 ILE N N 15 0.981 0.03 . . . . . . . . . . . . . . . . . . . . 556 ILE . 18477 1 97 . 1 1 144 144 ASP N N 15 0.979 0.031 . . . . . . . . . . . . . . . . . . . . 557 ASP . 18477 1 98 . 1 1 145 145 PHE N N 15 0.974 0.035 . . . . . . . . . . . . . . . . . . . . 558 PHE . 18477 1 99 . 1 1 146 146 PHE N N 15 0.981 0.03 . . . . . . . . . . . . . . . . . . . . 559 PHE . 18477 1 100 . 1 1 147 147 ASN N N 15 0.979 0.032 . . . . . . . . . . . . . . . . . . . . 560 ASN . 18477 1 101 . 1 1 148 148 LYS N N 15 0.981 0.028 . . . . . . . . . . . . . . . . . . . . 561 LYS . 18477 1 102 . 1 1 149 149 THR N N 15 0.98 0.031 . . . . . . . . . . . . . . . . . . . . 562 THR . 18477 1 103 . 1 1 151 151 LEU N N 15 0.98 0.031 . . . . . . . . . . . . . . . . . . . . 564 LEU . 18477 1 104 . 1 1 152 152 TYR N N 15 0.981 0.029 . . . . . . . . . . . . . . . . . . . . 565 TYR . 18477 1 105 . 1 1 153 153 LYS N N 15 0.977 0.034 . . . . . . . . . . . . . . . . . . . . 566 LYS . 18477 1 106 . 1 1 154 154 LEU N N 15 0.98 0.028 . . . . . . . . . . . . . . . . . . . . 567 LEU . 18477 1 107 . 1 1 155 155 HIS N N 15 0.978 0.03 . . . . . . . . . . . . . . . . . . . . 568 HIS . 18477 1 108 . 1 1 156 156 VAL N N 15 0.979 0.032 . . . . . . . . . . . . . . . . . . . . 569 VAL . 18477 1 109 . 1 1 157 157 GLU N N 15 0.982 0.027 . . . . . . . . . . . . . . . . . . . . 570 GLU . 18477 1 110 . 1 1 158 158 ASN N N 15 0.975 0.035 . . . . . . . . . . . . . . . . . . . . 571 ASN . 18477 1 111 . 1 1 159 159 ALA N N 15 0.978 0.03 . . . . . . . . . . . . . . . . . . . . 572 ALA . 18477 1 112 . 1 1 160 160 THR N N 15 0.979 0.03 . . . . . . . . . . . . . . . . . . . . 573 THR . 18477 1 113 . 1 1 161 161 ASN N N 15 0.98 0.029 . . . . . . . . . . . . . . . . . . . . 574 ASN . 18477 1 114 . 1 1 163 163 THR N N 15 0.964 0.038 . . . . . . . . . . . . . . . . . . . . 576 THR . 18477 1 115 . 1 1 164 164 HIS N N 15 0.976 0.032 . . . . . . . . . . . . . . . . . . . . 577 HIS . 18477 1 116 . 1 1 165 165 PHE N N 15 0.978 0.032 . . . . . . . . . . . . . . . . . . . . 578 PHE . 18477 1 117 . 1 1 166 166 ARG N N 15 0.981 0.028 . . . . . . . . . . . . . . . . . . . . 579 ARG . 18477 1 118 . 1 1 167 167 LEU N N 15 0.982 0.027 . . . . . . . . . . . . . . . . . . . . 580 LEU . 18477 1 119 . 1 1 168 168 LEU N N 15 0.978 0.031 . . . . . . . . . . . . . . . . . . . . 581 LEU . 18477 1 120 . 1 1 169 169 LYS N N 15 0.977 0.033 . . . . . . . . . . . . . . . . . . . . 582 LYS . 18477 1 121 . 1 1 171 171 PHE N N 15 0.964 0.035 . . . . . . . . . . . . . . . . . . . . 584 PHE . 18477 1 122 . 1 1 172 172 GLY N N 15 0.76 0.035 585 101 . . . . . . . . . . . . . . . . . . 585 GLY . 18477 1 123 . 1 1 173 173 THR N N 15 0.978 0.031 . . . . . . . . . . . . . . . . . . . . 586 THR . 18477 1 124 . 1 1 174 174 VAL N N 15 0.983 0.027 . . . . . . . . . . . . . . . . . . . . 587 VAL . 18477 1 125 . 1 1 175 175 LYS N N 15 0.982 0.028 . . . . . . . . . . . . . . . . . . . . 588 LYS . 18477 1 126 . 1 1 176 176 ILE N N 15 0.982 0.027 . . . . . . . . . . . . . . . . . . . . 589 ILE . 18477 1 127 . 1 1 177 177 PHE N N 15 0.98 0.028 . . . . . . . . . . . . . . . . . . . . 590 PHE . 18477 1 128 . 1 1 178 178 GLU N N 15 0.978 0.03 . . . . . . . . . . . . . . . . . . . . 591 GLU . 18477 1 129 . 1 1 179 179 VAL N N 15 0.98 0.029 . . . . . . . . . . . . . . . . . . . . 592 VAL . 18477 1 130 . 1 1 180 180 LYS N N 15 0.909 0.038 784 462 . . . . . . . . . . . . . . . . . . 593 LYS . 18477 1 stop_ save_