data_7088 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7088 _Entry.Title ; dynamics within the fMet-tRNA binding domain of translation initiation factor IF2 from Bacillus stearothermophilus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-04-25 _Entry.Accession_date 2006-04-25 _Entry.Last_release_date 2006-11-21 _Entry.Original_release_date 2006-11-21 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Hans Wienk . . . 7088 2 Simona Tomaselli . . . 7088 3 Roberto Spurio . . . 7088 4 Claudio Gualerzi . O. . 7088 5 Rolf Boelens . . . 7088 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7088 heteronucl_NOEs 1 7088 heteronucl_T1_relaxation 1 7088 heteronucl_T2_relaxation 1 7088 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 332 7088 '15N chemical shifts' 163 7088 '1H chemical shifts' 163 7088 'heteronuclear NOE values' 143 7088 'T1 relaxation values' 145 7088 'T2 relaxation values' 145 7088 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2006-11-21 2006-04-25 original author . 7088 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID . 4697 'assignment of C-terminal domain' 7088 . 6577 'assignment of N-terminal domain' 7088 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7088 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16968770 _Citation.Full_citation . _Citation.Title 'The nucleotide-binding site of bacterial translation initiation factor 2 (IF2) as a metabolic sensor' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full . _Citation.Journal_volume 103 _Citation.Journal_issue 38 _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 13962 _Citation.Page_last 13967 _Citation.Year 2006 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 P. Milon . . . 7088 1 2 E. Tischenko . . . 7088 1 3 J. Tomsic . . . 7088 1 4 E. Caserta . . . 7088 1 5 G. Folkers . . . 7088 1 6 A. 'La Teana' . . . 7088 1 7 M. Rodnina . V. . 7088 1 8 C. Pon . L. . 7088 1 9 Rolf Boelens . . . 7088 1 10 Claudio Gualerzi . O. . 7088 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID eIF5B 7088 1 if2 7088 1 nmr 7088 1 relaxation 7088 1 ribosome 7088 1 'translation initiation' 7088 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7088 _Assembly.ID 1 _Assembly.Name 'IF2 domain III-IV' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 26759 _Assembly.Enzyme_commission_number 3.6.5.3 _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 7088 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'IF2 domain III-IV' 1 $IF2_domain_III-IV . . yes native no no . . . 7088 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_IF2_domain_III-IV _Entity.Sf_category entity _Entity.Sf_framecode IF2_domain_III-IV _Entity.Entry_ID 7088 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'domain III-IV' _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 ; NEFELGTRGSSRVDLQEQRS VKTRVSLDDLFEQIKQGEMK ELNLIVKADVQGSVEALVAA LQKIDVEGVRVKIIHAAVGA ITESDISLATASNAIVIGFN VRPDANAKRAAESEKVDIRL HRIIYNVIEEIEAAMKGMLD EYEEKVIGQAEVRQTFKVSK VGTIAGCYVTDGKITRDSKV RLIRQGIVVYEGEIDSLKRY KDDVREVAQGYECGLTIKNF NDIKEGDVIEAYVMQEVARA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Please notice that since residue X is removed from Proline-deletion the numbering is dis-continuous.' _Entity.Ambiguous_conformational_states yes _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 240 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 26759 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 6577 . IF2-C1_polypeptide . . . . . 56.25 135 100.00 100.00 1.74e-86 . . . . 7088 1 2 no PDB 1Z9B . "Solution Structure Of The C1-Subdomain Of Bacillus Stearothermophilus Translation Initiation Factor If2" . . . . . 56.25 135 100.00 100.00 1.74e-86 . . . . 7088 1 3 no DBJ BAD75548 . "translation initiation factor IF-2 [Geobacillus kaustophilus HTA426]" . . . . . 78.33 709 99.47 99.47 4.23e-119 . . . . 7088 1 4 no DBJ GAD12201 . "translation initiation factor IF-2 [Geobacillus kaustophilus GBlys]" . . . . . 94.58 734 99.12 99.56 9.57e-150 . . . . 7088 1 5 no DBJ GAJ59418 . "translation initiation factor IF-2 [Geobacillus thermoleovorans B23]" . . . . . 94.58 739 99.12 99.56 1.20e-149 . . . . 7088 1 6 no EMBL CAA27987 . "unnamed protein product [Geobacillus stearothermophilus]" . . . . . 94.58 741 99.56 99.56 7.49e-150 . . . . 7088 1 7 no GB ACX78663 . "translation initiation factor IF-2 [Geobacillus sp. Y412MC61]" . . . . . 94.58 739 99.12 99.56 1.20e-149 . . . . 7088 1 8 no GB ADI27260 . "translation initiation factor IF-2 [Geobacillus sp. C56-T3]" . . . . . 94.58 739 99.12 99.56 9.47e-150 . . . . 7088 1 9 no GB ADU93636 . "translation initiation factor IF-2 [Geobacillus sp. Y412MC52]" . . . . . 94.58 739 99.12 99.56 1.20e-149 . . . . 7088 1 10 no GB AEV18768 . "Translation initiation factor IF-2 [Geobacillus thermoleovorans CCB_US3_UF5]" . . . . . 94.58 739 99.12 99.56 1.20e-149 . . . . 7088 1 11 no GB AGE21726 . "translation initiation factor IF-2 [Geobacillus sp. GHH01]" . . . . . 94.58 739 98.68 99.12 3.98e-149 . . . . 7088 1 12 no REF WP_011230763 . "translation initiation factor IF-2 [Geobacillus kaustophilus]" . . . . . 78.33 709 99.47 99.47 4.23e-119 . . . . 7088 1 13 no REF WP_013145729 . "translation initiation factor IF-2 [Geobacillus sp. C56-T3]" . . . . . 94.58 739 99.12 99.56 9.47e-150 . . . . 7088 1 14 no REF WP_013523417 . "MULTISPECIES: translation initiation factor IF-2 [Geobacillus]" . . . . . 94.58 739 99.12 99.56 1.20e-149 . . . . 7088 1 15 no REF WP_015374430 . "translation initiation factor IF-2 [Geobacillus sp. GHH01]" . . . . . 94.58 739 98.68 99.12 3.98e-149 . . . . 7088 1 16 no REF WP_020959388 . "translation initiation factor IF-2 [Geobacillus sp. JF8]" . . . . . 94.58 741 97.80 99.12 9.04e-148 . . . . 7088 1 17 no SP P04766 . "RecName: Full=Translation initiation factor IF-2 [Geobacillus stearothermophilus]" . . . . . 94.58 741 99.56 99.56 7.49e-150 . . . . 7088 1 18 no SP Q5L0I8 . "RecName: Full=Translation initiation factor IF-2 [Geobacillus kaustophilus HTA426]" . . . . . 78.33 709 99.47 99.47 4.23e-119 . . . . 7088 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'delivery of fMet-tRNA to the ribosome' 7088 1 stop_ loop_ _Entity_keyword.Keyword _Entity_keyword.Entry_ID _Entity_keyword.Entity_ID 'translation initiation factor' 7088 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 1 501 ASN . 7088 1 2 502 GLU . 7088 1 3 503 PHE . 7088 1 4 504 GLU . 7088 1 5 505 LEU . 7088 1 6 506 GLY . 7088 1 7 507 THR . 7088 1 8 508 ARG . 7088 1 9 509 GLY . 7088 1 10 510 SER . 7088 1 11 511 SER . 7088 1 12 512 ARG . 7088 1 13 513 VAL . 7088 1 14 514 ASP . 7088 1 15 515 LEU . 7088 1 16 516 GLN . 7088 1 17 517 GLU . 7088 1 18 518 GLN . 7088 1 19 519 ARG . 7088 1 20 520 SER . 7088 1 21 521 VAL . 7088 1 22 522 LYS . 7088 1 23 523 THR . 7088 1 24 524 ARG . 7088 1 25 525 VAL . 7088 1 26 526 SER . 7088 1 27 527 LEU . 7088 1 28 528 ASP . 7088 1 29 529 ASP . 7088 1 30 530 LEU . 7088 1 31 531 PHE . 7088 1 32 532 GLU . 7088 1 33 533 GLN . 7088 1 34 534 ILE . 7088 1 35 535 LYS . 7088 1 36 536 GLN . 7088 1 37 537 GLY . 7088 1 38 538 GLU . 7088 1 39 539 MET . 7088 1 40 540 LYS . 7088 1 41 541 GLU . 7088 1 42 542 LEU . 7088 1 43 543 ASN . 7088 1 44 544 LEU . 7088 1 45 545 ILE . 7088 1 46 546 VAL . 7088 1 47 547 LYS . 7088 1 48 548 ALA . 7088 1 49 549 ASP . 7088 1 50 550 VAL . 7088 1 51 551 GLN . 7088 1 52 552 GLY . 7088 1 53 553 SER . 7088 1 54 554 VAL . 7088 1 55 555 GLU . 7088 1 56 556 ALA . 7088 1 57 557 LEU . 7088 1 58 558 VAL . 7088 1 59 559 ALA . 7088 1 60 560 ALA . 7088 1 61 561 LEU . 7088 1 62 562 GLN . 7088 1 63 563 LYS . 7088 1 64 564 ILE . 7088 1 65 565 ASP . 7088 1 66 566 VAL . 7088 1 67 567 GLU . 7088 1 68 568 GLY . 7088 1 69 569 VAL . 7088 1 70 570 ARG . 7088 1 71 571 VAL . 7088 1 72 572 LYS . 7088 1 73 573 ILE . 7088 1 74 574 ILE . 7088 1 75 575 HIS . 7088 1 76 576 ALA . 7088 1 77 577 ALA . 7088 1 78 578 VAL . 7088 1 79 579 GLY . 7088 1 80 580 ALA . 7088 1 81 581 ILE . 7088 1 82 582 THR . 7088 1 83 583 GLU . 7088 1 84 584 SER . 7088 1 85 585 ASP . 7088 1 86 586 ILE . 7088 1 87 587 SER . 7088 1 88 588 LEU . 7088 1 89 589 ALA . 7088 1 90 590 THR . 7088 1 91 591 ALA . 7088 1 92 592 SER . 7088 1 93 593 ASN . 7088 1 94 594 ALA . 7088 1 95 595 ILE . 7088 1 96 596 VAL . 7088 1 97 597 ILE . 7088 1 98 598 GLY . 7088 1 99 599 PHE . 7088 1 100 600 ASN . 7088 1 101 601 VAL . 7088 1 102 602 ARG . 7088 1 103 603 PRO . 7088 1 104 604 ASP . 7088 1 105 605 ALA . 7088 1 106 606 ASN . 7088 1 107 607 ALA . 7088 1 108 608 LYS . 7088 1 109 609 ARG . 7088 1 110 610 ALA . 7088 1 111 611 ALA . 7088 1 112 612 GLU . 7088 1 113 613 SER . 7088 1 114 614 GLU . 7088 1 115 615 LYS . 7088 1 116 616 VAL . 7088 1 117 617 ASP . 7088 1 118 618 ILE . 7088 1 119 619 ARG . 7088 1 120 620 LEU . 7088 1 121 621 HIS . 7088 1 122 622 ARG . 7088 1 123 623 ILE . 7088 1 124 624 ILE . 7088 1 125 625 TYR . 7088 1 126 626 ASN . 7088 1 127 627 VAL . 7088 1 128 628 ILE . 7088 1 129 629 GLU . 7088 1 130 630 GLU . 7088 1 131 631 ILE . 7088 1 132 632 GLU . 7088 1 133 633 ALA . 7088 1 134 634 ALA . 7088 1 135 635 MET . 7088 1 136 636 LYS . 7088 1 137 637 GLY . 7088 1 138 638 MET . 7088 1 139 639 LEU . 7088 1 140 640 ASP . 7088 1 141 642 GLU . 7088 1 142 643 TYR . 7088 1 143 644 GLU . 7088 1 144 645 GLU . 7088 1 145 646 LYS . 7088 1 146 647 VAL . 7088 1 147 648 ILE . 7088 1 148 649 GLY . 7088 1 149 650 GLN . 7088 1 150 651 ALA . 7088 1 151 652 GLU . 7088 1 152 653 VAL . 7088 1 153 654 ARG . 7088 1 154 655 GLN . 7088 1 155 656 THR . 7088 1 156 657 PHE . 7088 1 157 658 LYS . 7088 1 158 659 VAL . 7088 1 159 660 SER . 7088 1 160 661 LYS . 7088 1 161 662 VAL . 7088 1 162 663 GLY . 7088 1 163 664 THR . 7088 1 164 665 ILE . 7088 1 165 666 ALA . 7088 1 166 667 GLY . 7088 1 167 668 CYS . 7088 1 168 669 TYR . 7088 1 169 670 VAL . 7088 1 170 671 THR . 7088 1 171 672 ASP . 7088 1 172 673 GLY . 7088 1 173 674 LYS . 7088 1 174 675 ILE . 7088 1 175 676 THR . 7088 1 176 677 ARG . 7088 1 177 678 ASP . 7088 1 178 679 SER . 7088 1 179 680 LYS . 7088 1 180 681 VAL . 7088 1 181 682 ARG . 7088 1 182 683 LEU . 7088 1 183 684 ILE . 7088 1 184 685 ARG . 7088 1 185 686 GLN . 7088 1 186 687 GLY . 7088 1 187 688 ILE . 7088 1 188 689 VAL . 7088 1 189 690 VAL . 7088 1 190 691 TYR . 7088 1 191 692 GLU . 7088 1 192 693 GLY . 7088 1 193 694 GLU . 7088 1 194 695 ILE . 7088 1 195 696 ASP . 7088 1 196 697 SER . 7088 1 197 698 LEU . 7088 1 198 699 LYS . 7088 1 199 700 ARG . 7088 1 200 701 TYR . 7088 1 201 702 LYS . 7088 1 202 703 ASP . 7088 1 203 704 ASP . 7088 1 204 705 VAL . 7088 1 205 706 ARG . 7088 1 206 707 GLU . 7088 1 207 708 VAL . 7088 1 208 709 ALA . 7088 1 209 710 GLN . 7088 1 210 711 GLY . 7088 1 211 712 TYR . 7088 1 212 713 GLU . 7088 1 213 714 CYS . 7088 1 214 715 GLY . 7088 1 215 716 LEU . 7088 1 216 717 THR . 7088 1 217 718 ILE . 7088 1 218 719 LYS . 7088 1 219 720 ASN . 7088 1 220 721 PHE . 7088 1 221 722 ASN . 7088 1 222 723 ASP . 7088 1 223 724 ILE . 7088 1 224 725 LYS . 7088 1 225 726 GLU . 7088 1 226 727 GLY . 7088 1 227 728 ASP . 7088 1 228 729 VAL . 7088 1 229 730 ILE . 7088 1 230 731 GLU . 7088 1 231 732 ALA . 7088 1 232 733 TYR . 7088 1 233 734 VAL . 7088 1 234 735 MET . 7088 1 235 736 GLN . 7088 1 236 737 GLU . 7088 1 237 738 VAL . 7088 1 238 739 ALA . 7088 1 239 740 ARG . 7088 1 240 741 ALA . 7088 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 . ASN 1 1 7088 1 . GLU 2 2 7088 1 . PHE 3 3 7088 1 . GLU 4 4 7088 1 . LEU 5 5 7088 1 . GLY 6 6 7088 1 . THR 7 7 7088 1 . ARG 8 8 7088 1 . GLY 9 9 7088 1 . SER 10 10 7088 1 . SER 11 11 7088 1 . ARG 12 12 7088 1 . VAL 13 13 7088 1 . ASP 14 14 7088 1 . LEU 15 15 7088 1 . GLN 16 16 7088 1 . GLU 17 17 7088 1 . GLN 18 18 7088 1 . ARG 19 19 7088 1 . SER 20 20 7088 1 . VAL 21 21 7088 1 . LYS 22 22 7088 1 . THR 23 23 7088 1 . ARG 24 24 7088 1 . VAL 25 25 7088 1 . SER 26 26 7088 1 . LEU 27 27 7088 1 . ASP 28 28 7088 1 . ASP 29 29 7088 1 . LEU 30 30 7088 1 . PHE 31 31 7088 1 . GLU 32 32 7088 1 . GLN 33 33 7088 1 . ILE 34 34 7088 1 . LYS 35 35 7088 1 . GLN 36 36 7088 1 . GLY 37 37 7088 1 . GLU 38 38 7088 1 . MET 39 39 7088 1 . LYS 40 40 7088 1 . GLU 41 41 7088 1 . LEU 42 42 7088 1 . ASN 43 43 7088 1 . LEU 44 44 7088 1 . ILE 45 45 7088 1 . VAL 46 46 7088 1 . LYS 47 47 7088 1 . ALA 48 48 7088 1 . ASP 49 49 7088 1 . VAL 50 50 7088 1 . GLN 51 51 7088 1 . GLY 52 52 7088 1 . SER 53 53 7088 1 . VAL 54 54 7088 1 . GLU 55 55 7088 1 . ALA 56 56 7088 1 . LEU 57 57 7088 1 . VAL 58 58 7088 1 . ALA 59 59 7088 1 . ALA 60 60 7088 1 . LEU 61 61 7088 1 . GLN 62 62 7088 1 . LYS 63 63 7088 1 . ILE 64 64 7088 1 . ASP 65 65 7088 1 . VAL 66 66 7088 1 . GLU 67 67 7088 1 . GLY 68 68 7088 1 . VAL 69 69 7088 1 . ARG 70 70 7088 1 . VAL 71 71 7088 1 . LYS 72 72 7088 1 . ILE 73 73 7088 1 . ILE 74 74 7088 1 . HIS 75 75 7088 1 . ALA 76 76 7088 1 . ALA 77 77 7088 1 . VAL 78 78 7088 1 . GLY 79 79 7088 1 . ALA 80 80 7088 1 . ILE 81 81 7088 1 . THR 82 82 7088 1 . GLU 83 83 7088 1 . SER 84 84 7088 1 . ASP 85 85 7088 1 . ILE 86 86 7088 1 . SER 87 87 7088 1 . LEU 88 88 7088 1 . ALA 89 89 7088 1 . THR 90 90 7088 1 . ALA 91 91 7088 1 . SER 92 92 7088 1 . ASN 93 93 7088 1 . ALA 94 94 7088 1 . ILE 95 95 7088 1 . VAL 96 96 7088 1 . ILE 97 97 7088 1 . GLY 98 98 7088 1 . PHE 99 99 7088 1 . ASN 100 100 7088 1 . VAL 101 101 7088 1 . ARG 102 102 7088 1 . PRO 103 103 7088 1 . ASP 104 104 7088 1 . ALA 105 105 7088 1 . ASN 106 106 7088 1 . ALA 107 107 7088 1 . LYS 108 108 7088 1 . ARG 109 109 7088 1 . ALA 110 110 7088 1 . ALA 111 111 7088 1 . GLU 112 112 7088 1 . SER 113 113 7088 1 . GLU 114 114 7088 1 . LYS 115 115 7088 1 . VAL 116 116 7088 1 . ASP 117 117 7088 1 . ILE 118 118 7088 1 . ARG 119 119 7088 1 . LEU 120 120 7088 1 . HIS 121 121 7088 1 . ARG 122 122 7088 1 . ILE 123 123 7088 1 . ILE 124 124 7088 1 . TYR 125 125 7088 1 . ASN 126 126 7088 1 . VAL 127 127 7088 1 . ILE 128 128 7088 1 . GLU 129 129 7088 1 . GLU 130 130 7088 1 . ILE 131 131 7088 1 . GLU 132 132 7088 1 . ALA 133 133 7088 1 . ALA 134 134 7088 1 . MET 135 135 7088 1 . LYS 136 136 7088 1 . GLY 137 137 7088 1 . MET 138 138 7088 1 . LEU 139 139 7088 1 . ASP 140 140 7088 1 . GLU 141 141 7088 1 . TYR 142 142 7088 1 . GLU 143 143 7088 1 . GLU 144 144 7088 1 . LYS 145 145 7088 1 . VAL 146 146 7088 1 . ILE 147 147 7088 1 . GLY 148 148 7088 1 . GLN 149 149 7088 1 . ALA 150 150 7088 1 . GLU 151 151 7088 1 . VAL 152 152 7088 1 . ARG 153 153 7088 1 . GLN 154 154 7088 1 . THR 155 155 7088 1 . PHE 156 156 7088 1 . LYS 157 157 7088 1 . VAL 158 158 7088 1 . SER 159 159 7088 1 . LYS 160 160 7088 1 . VAL 161 161 7088 1 . GLY 162 162 7088 1 . THR 163 163 7088 1 . ILE 164 164 7088 1 . ALA 165 165 7088 1 . GLY 166 166 7088 1 . CYS 167 167 7088 1 . TYR 168 168 7088 1 . VAL 169 169 7088 1 . THR 170 170 7088 1 . ASP 171 171 7088 1 . GLY 172 172 7088 1 . LYS 173 173 7088 1 . ILE 174 174 7088 1 . THR 175 175 7088 1 . ARG 176 176 7088 1 . ASP 177 177 7088 1 . SER 178 178 7088 1 . LYS 179 179 7088 1 . VAL 180 180 7088 1 . ARG 181 181 7088 1 . LEU 182 182 7088 1 . ILE 183 183 7088 1 . ARG 184 184 7088 1 . GLN 185 185 7088 1 . GLY 186 186 7088 1 . ILE 187 187 7088 1 . VAL 188 188 7088 1 . VAL 189 189 7088 1 . TYR 190 190 7088 1 . GLU 191 191 7088 1 . GLY 192 192 7088 1 . GLU 193 193 7088 1 . ILE 194 194 7088 1 . ASP 195 195 7088 1 . SER 196 196 7088 1 . LEU 197 197 7088 1 . LYS 198 198 7088 1 . ARG 199 199 7088 1 . TYR 200 200 7088 1 . LYS 201 201 7088 1 . ASP 202 202 7088 1 . ASP 203 203 7088 1 . VAL 204 204 7088 1 . ARG 205 205 7088 1 . GLU 206 206 7088 1 . VAL 207 207 7088 1 . ALA 208 208 7088 1 . GLN 209 209 7088 1 . GLY 210 210 7088 1 . TYR 211 211 7088 1 . GLU 212 212 7088 1 . CYS 213 213 7088 1 . GLY 214 214 7088 1 . LEU 215 215 7088 1 . THR 216 216 7088 1 . ILE 217 217 7088 1 . LYS 218 218 7088 1 . ASN 219 219 7088 1 . PHE 220 220 7088 1 . ASN 221 221 7088 1 . ASP 222 222 7088 1 . ILE 223 223 7088 1 . LYS 224 224 7088 1 . GLU 225 225 7088 1 . GLY 226 226 7088 1 . ASP 227 227 7088 1 . VAL 228 228 7088 1 . ILE 229 229 7088 1 . GLU 230 230 7088 1 . ALA 231 231 7088 1 . TYR 232 232 7088 1 . VAL 233 233 7088 1 . MET 234 234 7088 1 . GLN 235 235 7088 1 . GLU 236 236 7088 1 . VAL 237 237 7088 1 . ALA 238 238 7088 1 . ARG 239 239 7088 1 . ALA 240 240 7088 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 7088 _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 $IF2_domain_III-IV . 1422 . no . 'bacillus stearothermophilus' . . Eubacteria . Bacillus stearothermophilus . . . . . . . . . . . . . . . . . . . . . 7088 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 7088 _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 $IF2_domain_III-IV . 'recombinant technology' . 'E. coli' . 562 Escherichia coli 'JM109 / pCI' . . . . . . . . . . . . plasmid . . pEV1 . . . . . . 7088 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 7088 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'protease inhibitor and NaN3 were present to stabilize the sample' _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'domain III-IV' [U-15N] . . 1 $IF2_domain_III-IV . protein 0.5 . . mM . . . . 7088 1 2 'potassium phosphate' . . . . . . buffer 20 . . mM . . . . 7088 1 3 'potassium chloride' . . . . . . salt 200 . . mM . . . . 7088 1 4 D2O [U-2H] . . . . . solvent 10 . . '% (v/v)' . . . . 7088 1 5 'EDTA-free protease inhibitor' . . . . . . 'protease inhibitor' . . . . . . . . 7088 1 6 'sodium azide' . . . . . . 'antimicrobial agent' 0.02 . . '% (w/v)' . . . . 7088 1 stop_ save_ save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7088 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'protease inhibitor and NaN3 were present to stabilize the sample' _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'domain III-IV' '[U-13C; U-15N]' . . 1 $IF2_domain_III-IV . protein 0.5 . . mM . . . . 7088 2 2 'Potassium phosphate' . . . . . . buffer 20 . . mM . . . . 7088 2 3 'potassium chloride' . . . . . . salt 200 . . mM . . . . 7088 2 4 D2O [U-2H] . . . . . solvent 10 . . '% (v/v)' . . . . 7088 2 5 'EDTA-free protease inhibitor' . . . . . . 'chelating agent' . . . . . . . . 7088 2 6 'sodium azide' . . . . . . 'antimicrobial agent' 0.02 . . '% (w/v)' . . . . 7088 2 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7088 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.2 0 pH 7088 1 temperature 307 0 K 7088 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 7088 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID BRUKER . www.bruker-biospin.de/NMR/ 7088 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'acquisition of NMR spectra' 7088 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 7088 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Frank Delaglio' 'NIH, NIDDK' delaglio@nih.gov 7088 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'processing of NMR spectra' 7088 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 7088 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruce A. Johnson' 'Merck Research Laboratories' bruce_johnson@merck.com 7088 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'spectral analysis and heteronuclear NOE calculation' 7088 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 7088 _Software.ID 4 _Software.Name CurveFit _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'A.G. Palmer III' 'Columbia University Medical Center' agp6@columbia.edu 7088 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'fitting of signal intensities to obtain relaxation rates' 7088 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 7088 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600.13 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7088 _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 1H15N_HSQC no . . . . . . . . . . 1 $sample_2 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7088 1 2 HNCA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7088 1 3 HNCACB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7088 1 4 CBCA(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7088 1 5 NOESY-[15N]-HSQC no . . . . . . . . . . 1 $sample_2 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7088 1 6 R1-1H15N-HSQC no . . . . . . . . . . 1 $sample_2 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7088 1 7 R2-1H15N-CPMG no . . . . . . . . . . 1 $sample_2 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7088 1 8 1H15N-hetNOE no . . . . . . . . . . 1 $sample_2 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7088 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7088 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 7088 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 7088 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 7088 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7088 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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 1H15N_HSQC 1 $sample_2 isotropic 7088 1 2 HNCA 2 $sample_1 isotropic 7088 1 3 HNCACB 2 $sample_1 isotropic 7088 1 4 CBCA(CO)NH 2 $sample_1 isotropic 7088 1 5 NOESY-[15N]-HSQC 1 $sample_2 isotropic 7088 1 6 R1-1H15N-HSQC 1 $sample_2 isotropic 7088 1 7 R2-1H15N-CPMG 1 $sample_2 isotropic 7088 1 8 1H15N-hetNOE 1 $sample_2 isotropic 7088 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 9 9 GLY CA C 13 45.350 0.2 . 1 . . . . 509 GLY CA . 7088 1 2 . 1 1 10 10 SER H H 1 8.240 0.02 . 1 . . . . 510 SER H . 7088 1 3 . 1 1 10 10 SER CA C 13 58.160 0.2 . 1 . . . . 510 SER CA . 7088 1 4 . 1 1 10 10 SER CB C 13 63.904 0.2 . 1 . . . . 510 SER CB . 7088 1 5 . 1 1 10 10 SER N N 15 115.862 0.2 . 1 . . . . 510 SER N . 7088 1 6 . 1 1 11 11 SER H H 1 8.374 0.02 . 1 . . . . 511 SER H . 7088 1 7 . 1 1 11 11 SER CA C 13 58.330 0.2 . 1 . . . . 511 SER CA . 7088 1 8 . 1 1 11 11 SER CB C 13 63.850 0.2 . 1 . . . . 511 SER CB . 7088 1 9 . 1 1 11 11 SER N N 15 117.504 0.2 . 1 . . . . 511 SER N . 7088 1 10 . 1 1 12 12 ARG H H 1 8.324 0.02 . 1 . . . . 512 ARG H . 7088 1 11 . 1 1 12 12 ARG CA C 13 56.080 0.2 . 1 . . . . 512 ARG CA . 7088 1 12 . 1 1 12 12 ARG CB C 13 30.800 0.2 . 1 . . . . 512 ARG CB . 7088 1 13 . 1 1 12 12 ARG N N 15 122.900 0.2 . 1 . . . . 512 ARG N . 7088 1 14 . 1 1 13 13 VAL H H 1 8.145 0.02 . 1 . . . . 513 VAL H . 7088 1 15 . 1 1 13 13 VAL CA C 13 62.360 0.2 . 1 . . . . 513 VAL CA . 7088 1 16 . 1 1 13 13 VAL CB C 13 32.730 0.2 . 1 . . . . 513 VAL CB . 7088 1 17 . 1 1 13 13 VAL N N 15 120.590 0.2 . 1 . . . . 513 VAL N . 7088 1 18 . 1 1 14 14 ASP H H 1 8.405 0.02 . 1 . . . . 514 ASP H . 7088 1 19 . 1 1 14 14 ASP CA C 13 54.350 0.2 . 1 . . . . 514 ASP CA . 7088 1 20 . 1 1 14 14 ASP CB C 13 41.120 0.2 . 1 . . . . 514 ASP CB . 7088 1 21 . 1 1 14 14 ASP N N 15 123.160 0.2 . 1 . . . . 514 ASP N . 7088 1 22 . 1 1 15 15 LEU H H 1 8.132 0.02 . 1 . . . . 515 LEU H . 7088 1 23 . 1 1 15 15 LEU CA C 13 55.600 0.2 . 1 . . . . 515 LEU CA . 7088 1 24 . 1 1 15 15 LEU CB C 13 42.130 0.2 . 1 . . . . 515 LEU CB . 7088 1 25 . 1 1 15 15 LEU N N 15 122.520 0.2 . 1 . . . . 515 LEU N . 7088 1 26 . 1 1 16 16 GLN H H 1 8.325 0.02 . 1 . . . . 516 GLN H . 7088 1 27 . 1 1 16 16 GLN CA C 13 56.190 0.2 . 1 . . . . 516 GLN CA . 7088 1 28 . 1 1 16 16 GLN CB C 13 29.180 0.2 . 1 . . . . 516 GLN CB . 7088 1 29 . 1 1 16 16 GLN N N 15 120.200 0.2 . 1 . . . . 516 GLN N . 7088 1 30 . 1 1 17 17 GLU H H 1 8.340 0.02 . 1 . . . . 517 GLU H . 7088 1 31 . 1 1 17 17 GLU CA C 13 56.100 0.2 . 1 . . . . 517 GLU CA . 7088 1 32 . 1 1 17 17 GLU CB C 13 29.350 0.2 . 1 . . . . 517 GLU CB . 7088 1 33 . 1 1 17 17 GLU N N 15 120.970 0.2 . 1 . . . . 517 GLU N . 7088 1 34 . 1 1 43 43 ASN CA C 13 52.710 0.2 . 1 . . . . 543 ASN CA . 7088 1 35 . 1 1 43 43 ASN CB C 13 38.320 0.2 . 1 . . . . 543 ASN CB . 7088 1 36 . 1 1 44 44 LEU H H 1 8.952 0.02 . 1 . . . . 544 LEU H . 7088 1 37 . 1 1 44 44 LEU CA C 13 53.340 0.2 . 1 . . . . 544 LEU CA . 7088 1 38 . 1 1 44 44 LEU CB C 13 47.730 0.2 . 1 . . . . 544 LEU CB . 7088 1 39 . 1 1 44 44 LEU N N 15 118.920 0.2 . 1 . . . . 544 LEU N . 7088 1 40 . 1 1 45 45 ILE H H 1 8.731 0.02 . 1 . . . . 545 ILE H . 7088 1 41 . 1 1 45 45 ILE CA C 13 59.830 0.2 . 1 . . . . 545 ILE CA . 7088 1 42 . 1 1 45 45 ILE CB C 13 40.834 0.2 . 1 . . . . 545 ILE CB . 7088 1 43 . 1 1 45 45 ILE N N 15 122.640 0.2 . 1 . . . . 545 ILE N . 7088 1 44 . 1 1 46 46 VAL H H 1 8.856 0.02 . 1 . . . . 546 VAL H . 7088 1 45 . 1 1 46 46 VAL CA C 13 61.200 0.2 . 1 . . . . 546 VAL CA . 7088 1 46 . 1 1 46 46 VAL CB C 13 34.530 0.2 . 1 . . . . 546 VAL CB . 7088 1 47 . 1 1 46 46 VAL N N 15 126.593 0.2 . 1 . . . . 546 VAL N . 7088 1 48 . 1 1 47 47 LYS H H 1 8.855 0.02 . 1 . . . . 547 LYS H . 7088 1 49 . 1 1 47 47 LYS CA C 13 51.440 0.2 . 1 . . . . 547 LYS CA . 7088 1 50 . 1 1 47 47 LYS CB C 13 30.740 0.2 . 1 . . . . 547 LYS CB . 7088 1 51 . 1 1 47 47 LYS N N 15 125.392 0.2 . 1 . . . . 547 LYS N . 7088 1 52 . 1 1 48 48 ALA H H 1 7.982 0.02 . 1 . . . . 548 ALA H . 7088 1 53 . 1 1 48 48 ALA CA C 13 49.420 0.2 . 1 . . . . 548 ALA CA . 7088 1 54 . 1 1 48 48 ALA CB C 13 23.750 0.2 . 1 . . . . 548 ALA CB . 7088 1 55 . 1 1 48 48 ALA N N 15 120.694 0.2 . 1 . . . . 548 ALA N . 7088 1 56 . 1 1 49 49 ASP H H 1 8.861 0.02 . 1 . . . . 549 ASP H . 7088 1 57 . 1 1 49 49 ASP CA C 13 56.620 0.2 . 1 . . . . 549 ASP CA . 7088 1 58 . 1 1 49 49 ASP CB C 13 39.800 0.2 . 1 . . . . 549 ASP CB . 7088 1 59 . 1 1 49 49 ASP N N 15 118.013 0.2 . 1 . . . . 549 ASP N . 7088 1 60 . 1 1 50 50 VAL H H 1 7.629 0.02 . 1 . . . . 550 VAL H . 7088 1 61 . 1 1 50 50 VAL CA C 13 59.040 0.2 . 1 . . . . 550 VAL CA . 7088 1 62 . 1 1 50 50 VAL CB C 13 36.690 0.2 . 1 . . . . 550 VAL CB . 7088 1 63 . 1 1 50 50 VAL N N 15 110.449 0.2 . 1 . . . . 550 VAL N . 7088 1 64 . 1 1 51 51 GLN H H 1 9.237 0.02 . 1 . . . . 551 GLN H . 7088 1 65 . 1 1 51 51 GLN CA C 13 59.170 0.2 . 1 . . . . 551 GLN CA . 7088 1 66 . 1 1 51 51 GLN CB C 13 27.610 0.2 . 1 . . . . 551 GLN CB . 7088 1 67 . 1 1 51 51 GLN N N 15 126.553 0.2 . 1 . . . . 551 GLN N . 7088 1 68 . 1 1 52 52 GLY H H 1 9.098 0.02 . 1 . . . . 552 GLY H . 7088 1 69 . 1 1 52 52 GLY CA C 13 47.010 0.2 . 1 . . . . 552 GLY CA . 7088 1 70 . 1 1 52 52 GLY N N 15 105.421 0.2 . 1 . . . . 552 GLY N . 7088 1 71 . 1 1 53 53 SER H H 1 7.350 0.02 . 1 . . . . 553 SER H . 7088 1 72 . 1 1 53 53 SER CA C 13 60.850 0.2 . 1 . . . . 553 SER CA . 7088 1 73 . 1 1 53 53 SER CB C 13 63.270 0.2 . 1 . . . . 553 SER CB . 7088 1 74 . 1 1 53 53 SER N N 15 117.389 0.2 . 1 . . . . 553 SER N . 7088 1 75 . 1 1 54 54 VAL H H 1 7.400 0.02 . 1 . . . . 554 VAL H . 7088 1 76 . 1 1 54 54 VAL CA C 13 67.410 0.2 . 1 . . . . 554 VAL CA . 7088 1 77 . 1 1 54 54 VAL CB C 13 31.250 0.2 . 1 . . . . 554 VAL CB . 7088 1 78 . 1 1 54 54 VAL N N 15 121.726 0.2 . 1 . . . . 554 VAL N . 7088 1 79 . 1 1 55 55 GLU H H 1 7.978 0.02 . 1 . . . . 555 GLU H . 7088 1 80 . 1 1 55 55 GLU CA C 13 59.380 0.2 . 1 . . . . 555 GLU CA . 7088 1 81 . 1 1 55 55 GLU CB C 13 29.440 0.2 . 1 . . . . 555 GLU CB . 7088 1 82 . 1 1 55 55 GLU N N 15 115.900 0.2 . 1 . . . . 555 GLU N . 7088 1 83 . 1 1 56 56 ALA H H 1 7.762 0.02 . 1 . . . . 556 ALA H . 7088 1 84 . 1 1 56 56 ALA CA C 13 54.640 0.2 . 1 . . . . 556 ALA CA . 7088 1 85 . 1 1 56 56 ALA CB C 13 18.640 0.2 . 1 . . . . 556 ALA CB . 7088 1 86 . 1 1 56 56 ALA N N 15 120.700 0.2 . 1 . . . . 556 ALA N . 7088 1 87 . 1 1 57 57 LEU H H 1 8.125 0.02 . 1 . . . . 557 LEU H . 7088 1 88 . 1 1 57 57 LEU CA C 13 58.010 0.2 . 1 . . . . 557 LEU CA . 7088 1 89 . 1 1 57 57 LEU CB C 13 41.510 0.2 . 1 . . . . 557 LEU CB . 7088 1 90 . 1 1 57 57 LEU N N 15 119.600 0.2 . 1 . . . . 557 LEU N . 7088 1 91 . 1 1 58 58 VAL H H 1 8.586 0.02 . 1 . . . . 558 VAL H . 7088 1 92 . 1 1 58 58 VAL CA C 13 67.950 0.2 . 1 . . . . 558 VAL CA . 7088 1 93 . 1 1 58 58 VAL CB C 13 31.090 0.2 . 1 . . . . 558 VAL CB . 7088 1 94 . 1 1 58 58 VAL N N 15 119.120 0.2 . 1 . . . . 558 VAL N . 7088 1 95 . 1 1 59 59 ALA H H 1 7.593 0.02 . 1 . . . . 559 ALA H . 7088 1 96 . 1 1 59 59 ALA CA C 13 55.150 0.2 . 1 . . . . 559 ALA CA . 7088 1 97 . 1 1 59 59 ALA CB C 13 17.960 0.2 . 1 . . . . 559 ALA CB . 7088 1 98 . 1 1 59 59 ALA N N 15 118.964 0.2 . 1 . . . . 559 ALA N . 7088 1 99 . 1 1 60 60 ALA H H 1 7.527 0.02 . 1 . . . . 560 ALA H . 7088 1 100 . 1 1 60 60 ALA CA C 13 54.810 0.2 . 1 . . . . 560 ALA CA . 7088 1 101 . 1 1 60 60 ALA CB C 13 18.440 0.2 . 1 . . . . 560 ALA CB . 7088 1 102 . 1 1 60 60 ALA N N 15 118.904 0.2 . 1 . . . . 560 ALA N . 7088 1 103 . 1 1 61 61 LEU H H 1 8.750 0.02 . 1 . . . . 561 LEU H . 7088 1 104 . 1 1 61 61 LEU CA C 13 57.570 0.2 . 1 . . . . 561 LEU CA . 7088 1 105 . 1 1 61 61 LEU CB C 13 42.040 0.2 . 1 . . . . 561 LEU CB . 7088 1 106 . 1 1 61 61 LEU N N 15 119.555 0.2 . 1 . . . . 561 LEU N . 7088 1 107 . 1 1 62 62 GLN H H 1 7.851 0.02 . 1 . . . . 562 GLN H . 7088 1 108 . 1 1 62 62 GLN CA C 13 57.830 0.2 . 1 . . . . 562 GLN CA . 7088 1 109 . 1 1 62 62 GLN CB C 13 28.750 0.2 . 1 . . . . 562 GLN CB . 7088 1 110 . 1 1 62 62 GLN N N 15 115.170 0.2 . 1 . . . . 562 GLN N . 7088 1 111 . 1 1 63 63 LYS H H 1 7.185 0.02 . 1 . . . . 563 LYS H . 7088 1 112 . 1 1 63 63 LYS CA C 13 56.190 0.2 . 1 . . . . 563 LYS CA . 7088 1 113 . 1 1 63 63 LYS CB C 13 32.630 0.2 . 1 . . . . 563 LYS CB . 7088 1 114 . 1 1 63 63 LYS N N 15 115.883 0.2 . 1 . . . . 563 LYS N . 7088 1 115 . 1 1 64 64 ILE H H 1 7.197 0.02 . 1 . . . . 564 ILE H . 7088 1 116 . 1 1 64 64 ILE CA C 13 63.780 0.2 . 1 . . . . 564 ILE CA . 7088 1 117 . 1 1 64 64 ILE CB C 13 37.900 0.2 . 1 . . . . 564 ILE CB . 7088 1 118 . 1 1 64 64 ILE N N 15 120.432 0.2 . 1 . . . . 564 ILE N . 7088 1 119 . 1 1 65 65 ASP H H 1 8.724 0.02 . 1 . . . . 565 ASP H . 7088 1 120 . 1 1 65 65 ASP CA C 13 53.940 0.2 . 1 . . . . 565 ASP CA . 7088 1 121 . 1 1 65 65 ASP CB C 13 41.610 0.2 . 1 . . . . 565 ASP CB . 7088 1 122 . 1 1 65 65 ASP N N 15 129.330 0.2 . 1 . . . . 565 ASP N . 7088 1 123 . 1 1 72 72 LYS CA C 13 54.830 0.2 . 1 . . . . 572 LYS CA . 7088 1 124 . 1 1 72 72 LYS CB C 13 34.460 0.2 . 1 . . . . 572 LYS CB . 7088 1 125 . 1 1 73 73 ILE H H 1 8.980 0.02 . 1 . . . . 573 ILE H . 7088 1 126 . 1 1 73 73 ILE CA C 13 59.900 0.2 . 1 . . . . 573 ILE CA . 7088 1 127 . 1 1 73 73 ILE CB C 13 35.740 0.2 . 1 . . . . 573 ILE CB . 7088 1 128 . 1 1 73 73 ILE N N 15 127.013 0.2 . 1 . . . . 573 ILE N . 7088 1 129 . 1 1 74 74 ILE H H 1 9.082 0.02 . 1 . . . . 574 ILE H . 7088 1 130 . 1 1 74 74 ILE CA C 13 61.280 0.2 . 1 . . . . 574 ILE CA . 7088 1 131 . 1 1 74 74 ILE CB C 13 37.380 0.2 . 1 . . . . 574 ILE CB . 7088 1 132 . 1 1 74 74 ILE N N 15 127.814 0.2 . 1 . . . . 574 ILE N . 7088 1 133 . 1 1 75 75 HIS H H 1 7.140 0.02 . 1 . . . . 575 HIS H . 7088 1 134 . 1 1 75 75 HIS CA C 13 56.450 0.2 . 1 . . . . 575 HIS CA . 7088 1 135 . 1 1 75 75 HIS CB C 13 34.010 0.2 . 1 . . . . 575 HIS CB . 7088 1 136 . 1 1 75 75 HIS N N 15 117.260 0.2 . 1 . . . . 575 HIS N . 7088 1 137 . 1 1 76 76 ALA H H 1 7.824 0.02 . 1 . . . . 576 ALA H . 7088 1 138 . 1 1 76 76 ALA CA C 13 50.060 0.2 . 1 . . . . 576 ALA CA . 7088 1 139 . 1 1 76 76 ALA CB C 13 20.810 0.2 . 1 . . . . 576 ALA CB . 7088 1 140 . 1 1 76 76 ALA N N 15 130.490 0.2 . 1 . . . . 576 ALA N . 7088 1 141 . 1 1 77 77 ALA H H 1 8.512 0.02 . 1 . . . . 577 ALA H . 7088 1 142 . 1 1 77 77 ALA CA C 13 51.010 0.2 . 1 . . . . 577 ALA CA . 7088 1 143 . 1 1 77 77 ALA CB C 13 23.310 0.2 . 1 . . . . 577 ALA CB . 7088 1 144 . 1 1 77 77 ALA N N 15 123.237 0.2 . 1 . . . . 577 ALA N . 7088 1 145 . 1 1 78 78 VAL H H 1 8.189 0.02 . 1 . . . . 578 VAL H . 7088 1 146 . 1 1 78 78 VAL CA C 13 61.370 0.2 . 1 . . . . 578 VAL CA . 7088 1 147 . 1 1 78 78 VAL CB C 13 33.150 0.2 . 1 . . . . 578 VAL CB . 7088 1 148 . 1 1 78 78 VAL N N 15 118.247 0.2 . 1 . . . . 578 VAL N . 7088 1 149 . 1 1 79 79 GLY H H 1 8.701 0.02 . 1 . . . . 579 GLY H . 7088 1 150 . 1 1 79 79 GLY CA C 13 43.850 0.2 . 1 . . . . 579 GLY CA . 7088 1 151 . 1 1 79 79 GLY N N 15 114.825 0.2 . 1 . . . . 579 GLY N . 7088 1 152 . 1 1 80 80 ALA H H 1 7.875 0.02 . 1 . . . . 580 ALA H . 7088 1 153 . 1 1 80 80 ALA CA C 13 52.390 0.2 . 1 . . . . 580 ALA CA . 7088 1 154 . 1 1 80 80 ALA CB C 13 19.000 0.2 . 1 . . . . 580 ALA CB . 7088 1 155 . 1 1 80 80 ALA N N 15 118.374 0.2 . 1 . . . . 580 ALA N . 7088 1 156 . 1 1 81 81 ILE H H 1 6.808 0.02 . 1 . . . . 581 ILE H . 7088 1 157 . 1 1 81 81 ILE CA C 13 61.800 0.2 . 1 . . . . 581 ILE CA . 7088 1 158 . 1 1 81 81 ILE CB C 13 39.280 0.2 . 1 . . . . 581 ILE CB . 7088 1 159 . 1 1 81 81 ILE N N 15 120.084 0.2 . 1 . . . . 581 ILE N . 7088 1 160 . 1 1 82 82 THR H H 1 8.944 0.02 . 1 . . . . 582 THR H . 7088 1 161 . 1 1 82 82 THR CA C 13 60.040 0.2 . 1 . . . . 582 THR CA . 7088 1 162 . 1 1 82 82 THR CB C 13 72.880 0.2 . 1 . . . . 582 THR CB . 7088 1 163 . 1 1 82 82 THR N N 15 118.549 0.2 . 1 . . . . 582 THR N . 7088 1 164 . 1 1 83 83 GLU H H 1 9.948 0.02 . 1 . . . . 583 GLU H . 7088 1 165 . 1 1 83 83 GLU CA C 13 60.620 0.2 . 1 . . . . 583 GLU CA . 7088 1 166 . 1 1 83 83 GLU CB C 13 29.540 0.2 . 1 . . . . 583 GLU CB . 7088 1 167 . 1 1 83 83 GLU N N 15 121.953 0.2 . 1 . . . . 583 GLU N . 7088 1 168 . 1 1 84 84 SER H H 1 8.191 0.02 . 1 . . . . 584 SER H . 7088 1 169 . 1 1 84 84 SER CA C 13 62.070 0.2 . 1 . . . . 584 SER CA . 7088 1 170 . 1 1 84 84 SER CB C 13 62.070 0.2 . 1 . . . . 584 SER CB . 7088 1 171 . 1 1 84 84 SER N N 15 114.566 0.2 . 1 . . . . 584 SER N . 7088 1 172 . 1 1 85 85 ASP H H 1 7.566 0.02 . 1 . . . . 585 ASP H . 7088 1 173 . 1 1 85 85 ASP CA C 13 58.000 0.2 . 1 . . . . 585 ASP CA . 7088 1 174 . 1 1 85 85 ASP CB C 13 40.660 0.2 . 1 . . . . 585 ASP CB . 7088 1 175 . 1 1 85 85 ASP N N 15 123.655 0.2 . 1 . . . . 585 ASP N . 7088 1 176 . 1 1 86 86 ILE CA C 13 61.780 0.2 . 1 . . . . 586 ILE CA . 7088 1 177 . 1 1 86 86 ILE CB C 13 40.640 0.2 . 1 . . . . 586 ILE CB . 7088 1 178 . 1 1 87 87 SER H H 1 8.461 0.02 . 1 . . . . 587 SER H . 7088 1 179 . 1 1 87 87 SER CA C 13 62.466 0.2 . 1 . . . . 587 SER CA . 7088 1 180 . 1 1 87 87 SER CB C 13 61.800 0.2 . 1 . . . . 587 SER CB . 7088 1 181 . 1 1 87 87 SER N N 15 117.230 0.2 . 1 . . . . 587 SER N . 7088 1 182 . 1 1 88 88 LEU H H 1 7.917 0.02 . 1 . . . . 588 LEU H . 7088 1 183 . 1 1 88 88 LEU CA C 13 57.480 0.2 . 1 . . . . 588 LEU CA . 7088 1 184 . 1 1 88 88 LEU CB C 13 41.090 0.2 . 1 . . . . 588 LEU CB . 7088 1 185 . 1 1 88 88 LEU N N 15 123.418 0.2 . 1 . . . . 588 LEU N . 7088 1 186 . 1 1 89 89 ALA H H 1 8.330 0.02 . 1 . . . . 589 ALA H . 7088 1 187 . 1 1 89 89 ALA CA C 13 55.500 0.2 . 1 . . . . 589 ALA CA . 7088 1 188 . 1 1 89 89 ALA CB C 13 18.730 0.2 . 1 . . . . 589 ALA CB . 7088 1 189 . 1 1 89 89 ALA N N 15 123.930 0.2 . 1 . . . . 589 ALA N . 7088 1 190 . 1 1 90 90 THR H H 1 8.564 0.02 . 1 . . . . 590 THR H . 7088 1 191 . 1 1 90 90 THR CA C 13 65.350 0.2 . 1 . . . . 590 THR CA . 7088 1 192 . 1 1 90 90 THR CB C 13 68.530 0.2 . 1 . . . . 590 THR CB . 7088 1 193 . 1 1 90 90 THR N N 15 113.443 0.2 . 1 . . . . 590 THR N . 7088 1 194 . 1 1 91 91 ALA H H 1 7.689 0.02 . 1 . . . . 591 ALA H . 7088 1 195 . 1 1 91 91 ALA CA C 13 54.380 0.2 . 1 . . . . 591 ALA CA . 7088 1 196 . 1 1 91 91 ALA CB C 13 18.910 0.2 . 1 . . . . 591 ALA CB . 7088 1 197 . 1 1 91 91 ALA N N 15 123.950 0.2 . 1 . . . . 591 ALA N . 7088 1 198 . 1 1 92 92 SER H H 1 7.734 0.02 . 1 . . . . 592 SER H . 7088 1 199 . 1 1 92 92 SER N N 15 109.377 0.2 . 1 . . . . 592 SER N . 7088 1 200 . 1 1 94 94 ALA H H 1 8.435 0.02 . 1 . . . . 594 ALA H . 7088 1 201 . 1 1 94 94 ALA N N 15 119.326 0.2 . 1 . . . . 594 ALA N . 7088 1 202 . 1 1 96 96 VAL CA C 13 61.102 0.2 . 1 . . . . 596 VAL CA . 7088 1 203 . 1 1 96 96 VAL CB C 13 33.130 0.2 . 1 . . . . 596 VAL CB . 7088 1 204 . 1 1 97 97 ILE H H 1 9.408 0.02 . 1 . . . . 597 ILE H . 7088 1 205 . 1 1 97 97 ILE CA C 13 58.500 0.2 . 1 . . . . 597 ILE CA . 7088 1 206 . 1 1 97 97 ILE CB C 13 39.480 0.2 . 1 . . . . 597 ILE CB . 7088 1 207 . 1 1 97 97 ILE N N 15 127.453 0.2 . 1 . . . . 597 ILE N . 7088 1 208 . 1 1 98 98 GLY H H 1 9.240 0.02 . 1 . . . . 598 GLY H . 7088 1 209 . 1 1 98 98 GLY CA C 13 45.320 0.2 . 1 . . . . 598 GLY CA . 7088 1 210 . 1 1 98 98 GLY N N 15 112.821 0.2 . 1 . . . . 598 GLY N . 7088 1 211 . 1 1 99 99 PHE H H 1 9.538 0.02 . 1 . . . . 599 PHE H . 7088 1 212 . 1 1 99 99 PHE CA C 13 56.880 0.2 . 1 . . . . 599 PHE CA . 7088 1 213 . 1 1 99 99 PHE CB C 13 40.350 0.2 . 1 . . . . 599 PHE CB . 7088 1 214 . 1 1 99 99 PHE N N 15 129.198 0.2 . 1 . . . . 599 PHE N . 7088 1 215 . 1 1 100 100 ASN H H 1 8.470 0.02 . 1 . . . . 600 ASN H . 7088 1 216 . 1 1 100 100 ASN CA C 13 55.030 0.2 . 1 . . . . 600 ASN CA . 7088 1 217 . 1 1 100 100 ASN CB C 13 37.360 0.2 . 1 . . . . 600 ASN CB . 7088 1 218 . 1 1 100 100 ASN N N 15 119.300 0.2 . 1 . . . . 600 ASN N . 7088 1 219 . 1 1 101 101 VAL H H 1 6.931 0.02 . 1 . . . . 601 VAL H . 7088 1 220 . 1 1 101 101 VAL CA C 13 59.210 0.2 . 1 . . . . 601 VAL CA . 7088 1 221 . 1 1 101 101 VAL CB C 13 36.860 0.2 . 1 . . . . 601 VAL CB . 7088 1 222 . 1 1 101 101 VAL N N 15 105.121 0.2 . 1 . . . . 601 VAL N . 7088 1 223 . 1 1 102 102 ARG H H 1 8.405 0.02 . 1 . . . . 602 ARG H . 7088 1 224 . 1 1 102 102 ARG CA C 13 53.480 0.2 . 1 . . . . 602 ARG CA . 7088 1 225 . 1 1 102 102 ARG CB C 13 32.240 0.2 . 1 . . . . 602 ARG CB . 7088 1 226 . 1 1 102 102 ARG N N 15 117.652 0.2 . 1 . . . . 602 ARG N . 7088 1 227 . 1 1 105 105 ALA CA C 13 56.080 0.2 . 1 . . . . 605 ALA CA . 7088 1 228 . 1 1 105 105 ALA CB C 13 18.540 0.2 . 1 . . . . 605 ALA CB . 7088 1 229 . 1 1 106 106 ASN H H 1 8.319 0.02 . 1 . . . . 606 ASN H . 7088 1 230 . 1 1 106 106 ASN CA C 13 55.590 0.2 . 1 . . . . 606 ASN CA . 7088 1 231 . 1 1 106 106 ASN CB C 13 37.810 0.2 . 1 . . . . 606 ASN CB . 7088 1 232 . 1 1 106 106 ASN N N 15 116.599 0.2 . 1 . . . . 606 ASN N . 7088 1 233 . 1 1 107 107 ALA H H 1 9.069 0.02 . 1 . . . . 607 ALA H . 7088 1 234 . 1 1 107 107 ALA CA C 13 55.330 0.2 . 1 . . . . 607 ALA CA . 7088 1 235 . 1 1 107 107 ALA CB C 13 19.430 0.2 . 1 . . . . 607 ALA CB . 7088 1 236 . 1 1 107 107 ALA N N 15 125.729 0.2 . 1 . . . . 607 ALA N . 7088 1 237 . 1 1 108 108 LYS H H 1 8.530 0.02 . 1 . . . . 608 LYS H . 7088 1 238 . 1 1 108 108 LYS CA C 13 59.900 0.2 . 1 . . . . 608 LYS CA . 7088 1 239 . 1 1 108 108 LYS CB C 13 32.630 0.2 . 1 . . . . 608 LYS CB . 7088 1 240 . 1 1 108 108 LYS N N 15 117.927 0.2 . 1 . . . . 608 LYS N . 7088 1 241 . 1 1 109 109 ARG H H 1 7.520 0.02 . 1 . . . . 609 ARG H . 7088 1 242 . 1 1 109 109 ARG CA C 13 59.470 0.2 . 1 . . . . 609 ARG CA . 7088 1 243 . 1 1 109 109 ARG CB C 13 29.870 0.2 . 1 . . . . 609 ARG CB . 7088 1 244 . 1 1 109 109 ARG N N 15 118.284 0.2 . 1 . . . . 609 ARG N . 7088 1 245 . 1 1 110 110 ALA H H 1 8.110 0.02 . 1 . . . . 610 ALA H . 7088 1 246 . 1 1 110 110 ALA CA C 13 54.810 0.2 . 1 . . . . 610 ALA CA . 7088 1 247 . 1 1 110 110 ALA CB C 13 17.960 0.2 . 1 . . . . 610 ALA CB . 7088 1 248 . 1 1 110 110 ALA N N 15 122.900 0.2 . 1 . . . . 610 ALA N . 7088 1 249 . 1 1 111 111 ALA H H 1 8.812 0.02 . 1 . . . . 611 ALA H . 7088 1 250 . 1 1 111 111 ALA CA C 13 55.240 0.2 . 1 . . . . 611 ALA CA . 7088 1 251 . 1 1 111 111 ALA CB C 13 17.960 0.2 . 1 . . . . 611 ALA CB . 7088 1 252 . 1 1 111 111 ALA N N 15 120.193 0.2 . 1 . . . . 611 ALA N . 7088 1 253 . 1 1 112 112 GLU H H 1 7.895 0.02 . 1 . . . . 612 GLU H . 7088 1 254 . 1 1 112 112 GLU CA C 13 58.850 0.2 . 1 . . . . 612 GLU CA . 7088 1 255 . 1 1 112 112 GLU CB C 13 29.440 0.2 . 1 . . . . 612 GLU CB . 7088 1 256 . 1 1 112 112 GLU N N 15 117.141 0.2 . 1 . . . . 612 GLU N . 7088 1 257 . 1 1 113 113 SER H H 1 8.025 0.02 . 1 . . . . 613 SER H . 7088 1 258 . 1 1 113 113 SER CA C 13 61.280 0.2 . 1 . . . . 613 SER CA . 7088 1 259 . 1 1 113 113 SER CB C 13 63.270 0.2 . 1 . . . . 613 SER CB . 7088 1 260 . 1 1 113 113 SER N N 15 114.500 0.2 . 1 . . . . 613 SER N . 7088 1 261 . 1 1 114 114 GLU H H 1 8.210 0.02 . 1 . . . . 614 GLU H . 7088 1 262 . 1 1 114 114 GLU CA C 13 55.760 0.2 . 1 . . . . 614 GLU CA . 7088 1 263 . 1 1 114 114 GLU CB C 13 30.220 0.2 . 1 . . . . 614 GLU CB . 7088 1 264 . 1 1 114 114 GLU N N 15 117.250 0.2 . 1 . . . . 614 GLU N . 7088 1 265 . 1 1 115 115 LYS H H 1 7.752 0.02 . 1 . . . . 615 LYS H . 7088 1 266 . 1 1 115 115 LYS CA C 13 56.620 0.2 . 1 . . . . 615 LYS CA . 7088 1 267 . 1 1 115 115 LYS CB C 13 29.350 0.2 . 1 . . . . 615 LYS CB . 7088 1 268 . 1 1 115 115 LYS N N 15 117.250 0.2 . 1 . . . . 615 LYS N . 7088 1 269 . 1 1 116 116 VAL H H 1 8.090 0.02 . 1 . . . . 616 VAL H . 7088 1 270 . 1 1 116 116 VAL CA C 13 61.710 0.2 . 1 . . . . 616 VAL CA . 7088 1 271 . 1 1 116 116 VAL CB C 13 34.100 0.2 . 1 . . . . 616 VAL CB . 7088 1 272 . 1 1 116 116 VAL N N 15 120.640 0.2 . 1 . . . . 616 VAL N . 7088 1 273 . 1 1 117 117 ASP CA C 13 54.250 0.2 . 1 . . . . 617 ASP CA . 7088 1 274 . 1 1 117 117 ASP CB C 13 42.090 0.2 . 1 . . . . 617 ASP CB . 7088 1 275 . 1 1 118 118 ILE H H 1 7.368 0.02 . 1 . . . . 618 ILE H . 7088 1 276 . 1 1 118 118 ILE CA C 13 59.810 0.2 . 1 . . . . 618 ILE CA . 7088 1 277 . 1 1 118 118 ILE CB C 13 39.800 0.2 . 1 . . . . 618 ILE CB . 7088 1 278 . 1 1 118 118 ILE N N 15 124.664 0.2 . 1 . . . . 618 ILE N . 7088 1 279 . 1 1 119 119 ARG H H 1 9.383 0.02 . 1 . . . . 619 ARG H . 7088 1 280 . 1 1 119 119 ARG CA C 13 52.310 0.2 . 1 . . . . 619 ARG CA . 7088 1 281 . 1 1 119 119 ARG N N 15 126.457 0.2 . 1 . . . . 619 ARG N . 7088 1 282 . 1 1 123 123 ILE CA C 13 59.850 0.2 . 1 . . . . 623 ILE CA . 7088 1 283 . 1 1 123 123 ILE CB C 13 40.930 0.2 . 1 . . . . 623 ILE CB . 7088 1 284 . 1 1 124 124 ILE H H 1 9.353 0.02 . 1 . . . . 624 ILE H . 7088 1 285 . 1 1 124 124 ILE CA C 13 66.700 0.2 . 1 . . . . 624 ILE CA . 7088 1 286 . 1 1 124 124 ILE CB C 13 36.970 0.2 . 1 . . . . 624 ILE CB . 7088 1 287 . 1 1 124 124 ILE N N 15 129.970 0.2 . 1 . . . . 624 ILE N . 7088 1 288 . 1 1 125 125 TYR H H 1 8.039 0.02 . 1 . . . . 625 TYR H . 7088 1 289 . 1 1 125 125 TYR CA C 13 61.450 0.2 . 1 . . . . 625 TYR CA . 7088 1 290 . 1 1 125 125 TYR CB C 13 38.160 0.2 . 1 . . . . 625 TYR CB . 7088 1 291 . 1 1 125 125 TYR N N 15 116.990 0.2 . 1 . . . . 625 TYR N . 7088 1 292 . 1 1 126 126 ASN H H 1 6.982 0.02 . 1 . . . . 626 ASN H . 7088 1 293 . 1 1 126 126 ASN CA C 13 55.670 0.2 . 1 . . . . 626 ASN CA . 7088 1 294 . 1 1 126 126 ASN CB C 13 38.240 0.2 . 1 . . . . 626 ASN CB . 7088 1 295 . 1 1 126 126 ASN N N 15 115.450 0.2 . 1 . . . . 626 ASN N . 7088 1 296 . 1 1 127 127 VAL H H 1 7.281 0.02 . 1 . . . . 627 VAL H . 7088 1 297 . 1 1 127 127 VAL CA C 13 65.590 0.2 . 1 . . . . 627 VAL CA . 7088 1 298 . 1 1 127 127 VAL CB C 13 31.340 0.2 . 1 . . . . 627 VAL CB . 7088 1 299 . 1 1 127 127 VAL N N 15 119.560 0.2 . 1 . . . . 627 VAL N . 7088 1 300 . 1 1 145 145 LYS CA C 13 54.640 0.2 . 1 . . . . 646 LYS CA . 7088 1 301 . 1 1 145 145 LYS CB C 13 34.530 0.2 . 1 . . . . 646 LYS CB . 7088 1 302 . 1 1 146 146 VAL H H 1 8.745 0.02 . 1 . . . . 647 VAL H . 7088 1 303 . 1 1 146 146 VAL CA C 13 63.780 0.2 . 1 . . . . 647 VAL CA . 7088 1 304 . 1 1 146 146 VAL CB C 13 31.680 0.2 . 1 . . . . 647 VAL CB . 7088 1 305 . 1 1 146 146 VAL N N 15 127.360 0.2 . 1 . . . . 647 VAL N . 7088 1 306 . 1 1 147 147 ILE H H 1 9.226 0.02 . 1 . . . . 648 ILE H . 7088 1 307 . 1 1 147 147 ILE CA C 13 61.100 0.2 . 1 . . . . 648 ILE CA . 7088 1 308 . 1 1 147 147 ILE CB C 13 40.350 0.2 . 1 . . . . 648 ILE CB . 7088 1 309 . 1 1 147 147 ILE N N 15 123.117 0.2 . 1 . . . . 648 ILE N . 7088 1 310 . 1 1 148 148 GLY H H 1 7.867 0.02 . 1 . . . . 649 GLY H . 7088 1 311 . 1 1 148 148 GLY CA C 13 46.780 0.2 . 1 . . . . 649 GLY CA . 7088 1 312 . 1 1 148 148 GLY N N 15 110.770 0.2 . 1 . . . . 649 GLY N . 7088 1 313 . 1 1 149 149 GLN H H 1 8.593 0.02 . 1 . . . . 650 GLN H . 7088 1 314 . 1 1 149 149 GLN CA C 13 54.300 0.2 . 1 . . . . 650 GLN CA . 7088 1 315 . 1 1 149 149 GLN CB C 13 34.010 0.2 . 1 . . . . 650 GLN CB . 7088 1 316 . 1 1 149 149 GLN N N 15 116.145 0.2 . 1 . . . . 650 GLN N . 7088 1 317 . 1 1 150 150 ALA H H 1 9.474 0.02 . 1 . . . . 651 ALA H . 7088 1 318 . 1 1 150 150 ALA CA C 13 50.150 0.2 . 1 . . . . 651 ALA CA . 7088 1 319 . 1 1 150 150 ALA CB C 13 23.310 0.2 . 1 . . . . 651 ALA CB . 7088 1 320 . 1 1 150 150 ALA N N 15 122.139 0.2 . 1 . . . . 651 ALA N . 7088 1 321 . 1 1 151 151 GLU H H 1 8.926 0.02 . 1 . . . . 652 GLU H . 7088 1 322 . 1 1 151 151 GLU CA C 13 54.730 0.2 . 1 . . . . 652 GLU CA . 7088 1 323 . 1 1 151 151 GLU CB C 13 33.070 0.2 . 1 . . . . 652 GLU CB . 7088 1 324 . 1 1 151 151 GLU N N 15 120.012 0.2 . 1 . . . . 652 GLU N . 7088 1 325 . 1 1 152 152 VAL H H 1 9.066 0.02 . 1 . . . . 653 VAL H . 7088 1 326 . 1 1 152 152 VAL CA C 13 63.350 0.2 . 1 . . . . 653 VAL CA . 7088 1 327 . 1 1 152 152 VAL CB C 13 30.740 0.2 . 1 . . . . 653 VAL CB . 7088 1 328 . 1 1 152 152 VAL N N 15 124.359 0.2 . 1 . . . . 653 VAL N . 7088 1 329 . 1 1 153 153 ARG H H 1 9.363 0.02 . 1 . . . . 654 ARG H . 7088 1 330 . 1 1 153 153 ARG CA C 13 57.050 0.2 . 1 . . . . 654 ARG CA . 7088 1 331 . 1 1 153 153 ARG CB C 13 31.660 0.2 . 1 . . . . 654 ARG CB . 7088 1 332 . 1 1 153 153 ARG N N 15 131.196 0.2 . 1 . . . . 654 ARG N . 7088 1 333 . 1 1 154 154 GLN H H 1 8.279 0.02 . 1 . . . . 655 GLN H . 7088 1 334 . 1 1 154 154 GLN CA C 13 55.330 0.2 . 1 . . . . 655 GLN CA . 7088 1 335 . 1 1 154 154 GLN CB C 13 33.070 0.2 . 1 . . . . 655 GLN CB . 7088 1 336 . 1 1 154 154 GLN N N 15 116.445 0.2 . 1 . . . . 655 GLN N . 7088 1 337 . 1 1 155 155 THR H H 1 8.450 0.02 . 1 . . . . 656 THR H . 7088 1 338 . 1 1 155 155 THR CA C 13 59.550 0.2 . 1 . . . . 656 THR CA . 7088 1 339 . 1 1 155 155 THR CB C 13 72.150 0.2 . 1 . . . . 656 THR CB . 7088 1 340 . 1 1 155 155 THR N N 15 111.796 0.2 . 1 . . . . 656 THR N . 7088 1 341 . 1 1 156 156 PHE H H 1 8.835 0.02 . 1 . . . . 657 PHE H . 7088 1 342 . 1 1 156 156 PHE CA C 13 56.080 0.2 . 1 . . . . 657 PHE CA . 7088 1 343 . 1 1 156 156 PHE CB C 13 41.000 0.2 . 1 . . . . 657 PHE CB . 7088 1 344 . 1 1 156 156 PHE N N 15 119.301 0.2 . 1 . . . . 657 PHE N . 7088 1 345 . 1 1 157 157 LYS H H 1 8.798 0.02 . 1 . . . . 658 LYS H . 7088 1 346 . 1 1 157 157 LYS CA C 13 56.000 0.2 . 1 . . . . 658 LYS CA . 7088 1 347 . 1 1 157 157 LYS CB C 13 32.630 0.2 . 1 . . . . 658 LYS CB . 7088 1 348 . 1 1 157 157 LYS N N 15 124.360 0.2 . 1 . . . . 658 LYS N . 7088 1 349 . 1 1 158 158 VAL H H 1 8.462 0.02 . 1 . . . . 659 VAL H . 7088 1 350 . 1 1 158 158 VAL CA C 13 61.800 0.2 . 1 . . . . 659 VAL CA . 7088 1 351 . 1 1 158 158 VAL CB C 13 33.070 0.2 . 1 . . . . 659 VAL CB . 7088 1 352 . 1 1 158 158 VAL N N 15 125.135 0.2 . 1 . . . . 659 VAL N . 7088 1 353 . 1 1 160 160 LYS CA C 13 59.210 0.2 . 1 . . . . 661 LYS CA . 7088 1 354 . 1 1 160 160 LYS CB C 13 31.340 0.2 . 1 . . . . 661 LYS CB . 7088 1 355 . 1 1 161 161 VAL H H 1 7.936 0.02 . 1 . . . . 662 VAL H . 7088 1 356 . 1 1 161 161 VAL CA C 13 63.610 0.2 . 1 . . . . 662 VAL CA . 7088 1 357 . 1 1 161 161 VAL CB C 13 34.010 0.2 . 1 . . . . 662 VAL CB . 7088 1 358 . 1 1 161 161 VAL N N 15 117.977 0.2 . 1 . . . . 662 VAL N . 7088 1 359 . 1 1 162 162 GLY H H 1 8.147 0.02 . 1 . . . . 663 GLY H . 7088 1 360 . 1 1 162 162 GLY CA C 13 44.890 0.2 . 1 . . . . 663 GLY CA . 7088 1 361 . 1 1 162 162 GLY N N 15 108.257 0.2 . 1 . . . . 663 GLY N . 7088 1 362 . 1 1 163 163 THR H H 1 8.356 0.02 . 1 . . . . 664 THR H . 7088 1 363 . 1 1 163 163 THR CA C 13 61.870 0.2 . 1 . . . . 664 THR CA . 7088 1 364 . 1 1 163 163 THR CB C 13 70.250 0.2 . 1 . . . . 664 THR CB . 7088 1 365 . 1 1 163 163 THR N N 15 120.180 0.2 . 1 . . . . 664 THR N . 7088 1 366 . 1 1 164 164 ILE H H 1 9.098 0.02 . 1 . . . . 665 ILE H . 7088 1 367 . 1 1 164 164 ILE CA C 13 60.420 0.2 . 1 . . . . 665 ILE CA . 7088 1 368 . 1 1 164 164 ILE CB C 13 40.050 0.2 . 1 . . . . 665 ILE CB . 7088 1 369 . 1 1 164 164 ILE N N 15 127.175 0.2 . 1 . . . . 665 ILE N . 7088 1 370 . 1 1 165 165 ALA H H 1 9.287 0.02 . 1 . . . . 666 ALA H . 7088 1 371 . 1 1 165 165 ALA CA C 13 50.490 0.2 . 1 . . . . 666 ALA CA . 7088 1 372 . 1 1 165 165 ALA CB C 13 20.040 0.2 . 1 . . . . 666 ALA CB . 7088 1 373 . 1 1 165 165 ALA N N 15 129.377 0.2 . 1 . . . . 666 ALA N . 7088 1 374 . 1 1 166 166 GLY H H 1 9.536 0.02 . 1 . . . . 667 GLY H . 7088 1 375 . 1 1 166 166 GLY CA C 13 46.270 0.2 . 1 . . . . 667 GLY CA . 7088 1 376 . 1 1 166 166 GLY N N 15 115.984 0.2 . 1 . . . . 667 GLY N . 7088 1 377 . 1 1 167 167 CYS H H 1 9.300 0.02 . 1 . . . . 668 CYS H . 7088 1 378 . 1 1 167 167 CYS CA C 13 57.570 0.2 . 1 . . . . 668 CYS CA . 7088 1 379 . 1 1 167 167 CYS CB C 13 32.200 0.2 . 1 . . . . 668 CYS CB . 7088 1 380 . 1 1 167 167 CYS N N 15 123.118 0.2 . 1 . . . . 668 CYS N . 7088 1 381 . 1 1 168 168 TYR H H 1 8.820 0.02 . 1 . . . . 669 TYR H . 7088 1 382 . 1 1 168 168 TYR CA C 13 57.220 0.2 . 1 . . . . 669 TYR CA . 7088 1 383 . 1 1 168 168 TYR CB C 13 42.040 0.2 . 1 . . . . 669 TYR CB . 7088 1 384 . 1 1 168 168 TYR N N 15 122.623 0.2 . 1 . . . . 669 TYR N . 7088 1 385 . 1 1 169 169 VAL H H 1 7.894 0.02 . 1 . . . . 670 VAL H . 7088 1 386 . 1 1 169 169 VAL CA C 13 64.130 0.2 . 1 . . . . 670 VAL CA . 7088 1 387 . 1 1 169 169 VAL CB C 13 30.480 0.2 . 1 . . . . 670 VAL CB . 7088 1 388 . 1 1 169 169 VAL N N 15 128.966 0.2 . 1 . . . . 670 VAL N . 7088 1 389 . 1 1 170 170 THR H H 1 8.635 0.02 . 1 . . . . 671 THR H . 7088 1 390 . 1 1 170 170 THR CA C 13 62.840 0.2 . 1 . . . . 671 THR CA . 7088 1 391 . 1 1 170 170 THR CB C 13 68.820 0.2 . 1 . . . . 671 THR CB . 7088 1 392 . 1 1 170 170 THR N N 15 120.747 0.2 . 1 . . . . 671 THR N . 7088 1 393 . 1 1 171 171 ASP H H 1 7.758 0.02 . 1 . . . . 672 ASP H . 7088 1 394 . 1 1 171 171 ASP CA C 13 54.300 0.2 . 1 . . . . 672 ASP CA . 7088 1 395 . 1 1 171 171 ASP CB C 13 45.320 0.2 . 1 . . . . 672 ASP CB . 7088 1 396 . 1 1 171 171 ASP N N 15 120.752 0.2 . 1 . . . . 672 ASP N . 7088 1 397 . 1 1 172 172 GLY H H 1 8.439 0.02 . 1 . . . . 673 GLY H . 7088 1 398 . 1 1 172 172 GLY CA C 13 46.870 0.2 . 1 . . . . 673 GLY CA . 7088 1 399 . 1 1 172 172 GLY N N 15 111.268 0.2 . 1 . . . . 673 GLY N . 7088 1 400 . 1 1 173 173 LYS H H 1 9.072 0.02 . 1 . . . . 674 LYS H . 7088 1 401 . 1 1 173 173 LYS CA C 13 54.640 0.2 . 1 . . . . 674 LYS CA . 7088 1 402 . 1 1 173 173 LYS CB C 13 35.910 0.2 . 1 . . . . 674 LYS CB . 7088 1 403 . 1 1 173 173 LYS N N 15 123.946 0.2 . 1 . . . . 674 LYS N . 7088 1 404 . 1 1 174 174 ILE H H 1 8.295 0.02 . 1 . . . . 675 ILE H . 7088 1 405 . 1 1 174 174 ILE CA C 13 59.550 0.2 . 1 . . . . 675 ILE CA . 7088 1 406 . 1 1 174 174 ILE CB C 13 39.190 0.2 . 1 . . . . 675 ILE CB . 7088 1 407 . 1 1 174 174 ILE N N 15 115.006 0.2 . 1 . . . . 675 ILE N . 7088 1 408 . 1 1 175 175 THR H H 1 7.044 0.02 . 1 . . . . 676 THR H . 7088 1 409 . 1 1 175 175 THR CA C 13 58.860 0.2 . 1 . . . . 676 THR CA . 7088 1 410 . 1 1 175 175 THR CB C 13 71.630 0.2 . 1 . . . . 676 THR CB . 7088 1 411 . 1 1 175 175 THR N N 15 112.842 0.2 . 1 . . . . 676 THR N . 7088 1 412 . 1 1 176 176 ARG H H 1 8.435 0.02 . 1 . . . . 677 ARG H . 7088 1 413 . 1 1 176 176 ARG CA C 13 58.170 0.2 . 1 . . . . 677 ARG CA . 7088 1 414 . 1 1 176 176 ARG CB C 13 29.700 0.2 . 1 . . . . 677 ARG CB . 7088 1 415 . 1 1 176 176 ARG N N 15 120.097 0.2 . 1 . . . . 677 ARG N . 7088 1 416 . 1 1 177 177 ASP H H 1 7.968 0.02 . 1 . . . . 678 ASP H . 7088 1 417 . 1 1 177 177 ASP CA C 13 53.170 0.2 . 1 . . . . 678 ASP CA . 7088 1 418 . 1 1 177 177 ASP CB C 13 40.570 0.2 . 1 . . . . 678 ASP CB . 7088 1 419 . 1 1 177 177 ASP N N 15 114.867 0.2 . 1 . . . . 678 ASP N . 7088 1 420 . 1 1 178 178 SER H H 1 7.500 0.02 . 1 . . . . 679 SER H . 7088 1 421 . 1 1 178 178 SER CA C 13 60.500 0.2 . 1 . . . . 679 SER CA . 7088 1 422 . 1 1 178 178 SER CB C 13 64.130 0.2 . 1 . . . . 679 SER CB . 7088 1 423 . 1 1 178 178 SER N N 15 117.170 0.2 . 1 . . . . 679 SER N . 7088 1 424 . 1 1 179 179 LYS H H 1 8.408 0.02 . 1 . . . . 680 LYS H . 7088 1 425 . 1 1 179 179 LYS CA C 13 55.250 0.2 . 1 . . . . 680 LYS CA . 7088 1 426 . 1 1 179 179 LYS CB C 13 31.170 0.2 . 1 . . . . 680 LYS CB . 7088 1 427 . 1 1 179 179 LYS N N 15 121.563 0.2 . 1 . . . . 680 LYS N . 7088 1 428 . 1 1 180 180 VAL H H 1 8.237 0.02 . 1 . . . . 681 VAL H . 7088 1 429 . 1 1 180 180 VAL CA C 13 58.170 0.2 . 1 . . . . 681 VAL CA . 7088 1 430 . 1 1 180 180 VAL CB C 13 36.340 0.2 . 1 . . . . 681 VAL CB . 7088 1 431 . 1 1 180 180 VAL N N 15 110.479 0.2 . 1 . . . . 681 VAL N . 7088 1 432 . 1 1 181 181 ARG H H 1 9.210 0.02 . 1 . . . . 682 ARG H . 7088 1 433 . 1 1 181 181 ARG CA C 13 54.300 0.2 . 1 . . . . 682 ARG CA . 7088 1 434 . 1 1 181 181 ARG CB C 13 33.580 0.2 . 1 . . . . 682 ARG CB . 7088 1 435 . 1 1 181 181 ARG N N 15 121.082 0.2 . 1 . . . . 682 ARG N . 7088 1 436 . 1 1 182 182 LEU H H 1 8.927 0.02 . 1 . . . . 683 LEU H . 7088 1 437 . 1 1 182 182 LEU CA C 13 53.860 0.2 . 1 . . . . 683 LEU CA . 7088 1 438 . 1 1 182 182 LEU CB C 13 45.320 0.2 . 1 . . . . 683 LEU CB . 7088 1 439 . 1 1 182 182 LEU N N 15 126.541 0.2 . 1 . . . . 683 LEU N . 7088 1 440 . 1 1 183 183 ILE H H 1 9.964 0.02 . 1 . . . . 684 ILE H . 7088 1 441 . 1 1 183 183 ILE CA C 13 60.760 0.2 . 1 . . . . 684 ILE CA . 7088 1 442 . 1 1 183 183 ILE CB C 13 39.800 0.2 . 1 . . . . 684 ILE CB . 7088 1 443 . 1 1 183 183 ILE N N 15 129.011 0.2 . 1 . . . . 684 ILE N . 7088 1 444 . 1 1 184 184 ARG H H 1 9.383 0.02 . 1 . . . . 685 ARG H . 7088 1 445 . 1 1 184 184 ARG CA C 13 55.150 0.2 . 1 . . . . 685 ARG CA . 7088 1 446 . 1 1 184 184 ARG CB C 13 33.580 0.2 . 1 . . . . 685 ARG CB . 7088 1 447 . 1 1 184 184 ARG N N 15 130.746 0.2 . 1 . . . . 685 ARG N . 7088 1 448 . 1 1 185 185 GLN H H 1 9.516 0.02 . 1 . . . . 686 GLN H . 7088 1 449 . 1 1 185 185 GLN CA C 13 57.140 0.2 . 1 . . . . 686 GLN CA . 7088 1 450 . 1 1 185 185 GLN CB C 13 26.850 0.2 . 1 . . . . 686 GLN CB . 7088 1 451 . 1 1 185 185 GLN N N 15 127.486 0.2 . 1 . . . . 686 GLN N . 7088 1 452 . 1 1 186 186 GLY H H 1 8.216 0.02 . 1 . . . . 687 GLY H . 7088 1 453 . 1 1 186 186 GLY CA C 13 45.400 0.2 . 1 . . . . 687 GLY CA . 7088 1 454 . 1 1 186 186 GLY N N 15 102.399 0.2 . 1 . . . . 687 GLY N . 7088 1 455 . 1 1 187 187 ILE H H 1 7.680 0.02 . 1 . . . . 688 ILE H . 7088 1 456 . 1 1 187 187 ILE CA C 13 59.040 0.2 . 1 . . . . 688 ILE CA . 7088 1 457 . 1 1 187 187 ILE CB C 13 39.230 0.2 . 1 . . . . 688 ILE CB . 7088 1 458 . 1 1 187 187 ILE N N 15 121.166 0.2 . 1 . . . . 688 ILE N . 7088 1 459 . 1 1 188 188 VAL H H 1 8.600 0.02 . 1 . . . . 689 VAL H . 7088 1 460 . 1 1 188 188 VAL CA C 13 63.650 0.2 . 1 . . . . 689 VAL CA . 7088 1 461 . 1 1 188 188 VAL CB C 13 31.340 0.2 . 1 . . . . 689 VAL CB . 7088 1 462 . 1 1 188 188 VAL N N 15 127.040 0.2 . 1 . . . . 689 VAL N . 7088 1 463 . 1 1 189 189 VAL H H 1 9.076 0.02 . 1 . . . . 690 VAL H . 7088 1 464 . 1 1 189 189 VAL CA C 13 62.140 0.2 . 1 . . . . 690 VAL CA . 7088 1 465 . 1 1 189 189 VAL CB C 13 33.320 0.2 . 1 . . . . 690 VAL CB . 7088 1 466 . 1 1 189 189 VAL N N 15 125.910 0.2 . 1 . . . . 690 VAL N . 7088 1 467 . 1 1 190 190 TYR H H 1 7.477 0.02 . 1 . . . . 691 TYR H . 7088 1 468 . 1 1 190 190 TYR CA C 13 58.950 0.2 . 1 . . . . 691 TYR CA . 7088 1 469 . 1 1 190 190 TYR CB C 13 42.040 0.2 . 1 . . . . 691 TYR CB . 7088 1 470 . 1 1 190 190 TYR N N 15 119.300 0.2 . 1 . . . . 691 TYR N . 7088 1 471 . 1 1 191 191 GLU H H 1 6.764 0.02 . 1 . . . . 692 GLU H . 7088 1 472 . 1 1 191 191 GLU CA C 13 54.810 0.2 . 1 . . . . 692 GLU CA . 7088 1 473 . 1 1 191 191 GLU CB C 13 32.200 0.2 . 1 . . . . 692 GLU CB . 7088 1 474 . 1 1 191 191 GLU N N 15 126.702 0.2 . 1 . . . . 692 GLU N . 7088 1 475 . 1 1 192 192 GLY H H 1 8.815 0.02 . 1 . . . . 693 GLY H . 7088 1 476 . 1 1 192 192 GLY CA C 13 46.270 0.2 . 1 . . . . 693 GLY CA . 7088 1 477 . 1 1 192 192 GLY N N 15 109.883 0.2 . 1 . . . . 693 GLY N . 7088 1 478 . 1 1 193 193 GLU H H 1 8.656 0.02 . 1 . . . . 694 GLU H . 7088 1 479 . 1 1 193 193 GLU CA C 13 55.240 0.2 . 1 . . . . 694 GLU CA . 7088 1 480 . 1 1 193 193 GLU CB C 13 33.930 0.2 . 1 . . . . 694 GLU CB . 7088 1 481 . 1 1 193 193 GLU N N 15 123.053 0.2 . 1 . . . . 694 GLU N . 7088 1 482 . 1 1 194 194 ILE H H 1 8.551 0.02 . 1 . . . . 695 ILE H . 7088 1 483 . 1 1 194 194 ILE CA C 13 61.800 0.2 . 1 . . . . 695 ILE CA . 7088 1 484 . 1 1 194 194 ILE CB C 13 38.760 0.2 . 1 . . . . 695 ILE CB . 7088 1 485 . 1 1 194 194 ILE N N 15 122.424 0.2 . 1 . . . . 695 ILE N . 7088 1 486 . 1 1 195 195 ASP H H 1 8.981 0.02 . 1 . . . . 696 ASP H . 7088 1 487 . 1 1 195 195 ASP CA C 13 54.210 0.2 . 1 . . . . 696 ASP CA . 7088 1 488 . 1 1 195 195 ASP CB C 13 42.560 0.2 . 1 . . . . 696 ASP CB . 7088 1 489 . 1 1 195 195 ASP N N 15 126.008 0.2 . 1 . . . . 696 ASP N . 7088 1 490 . 1 1 196 196 SER H H 1 7.670 0.02 . 1 . . . . 697 SER H . 7088 1 491 . 1 1 196 196 SER CA C 13 58.000 0.2 . 1 . . . . 697 SER CA . 7088 1 492 . 1 1 196 196 SER CB C 13 65.590 0.2 . 1 . . . . 697 SER CB . 7088 1 493 . 1 1 196 196 SER N N 15 112.728 0.2 . 1 . . . . 697 SER N . 7088 1 494 . 1 1 197 197 LEU H H 1 8.379 0.02 . 1 . . . . 698 LEU H . 7088 1 495 . 1 1 197 197 LEU CA C 13 54.810 0.2 . 1 . . . . 698 LEU CA . 7088 1 496 . 1 1 197 197 LEU CB C 13 45.320 0.2 . 1 . . . . 698 LEU CB . 7088 1 497 . 1 1 197 197 LEU N N 15 123.730 0.2 . 1 . . . . 698 LEU N . 7088 1 498 . 1 1 198 198 LYS H H 1 9.144 0.02 . 1 . . . . 699 LYS H . 7088 1 499 . 1 1 198 198 LYS CA C 13 54.640 0.2 . 1 . . . . 699 LYS CA . 7088 1 500 . 1 1 198 198 LYS CB C 13 38.420 0.2 . 1 . . . . 699 LYS CB . 7088 1 501 . 1 1 198 198 LYS N N 15 124.268 0.2 . 1 . . . . 699 LYS N . 7088 1 502 . 1 1 199 199 ARG H H 1 8.479 0.02 . 1 . . . . 700 ARG H . 7088 1 503 . 1 1 199 199 ARG CA C 13 55.670 0.2 . 1 . . . . 700 ARG CA . 7088 1 504 . 1 1 199 199 ARG CB C 13 31.600 0.2 . 1 . . . . 700 ARG CB . 7088 1 505 . 1 1 199 199 ARG N N 15 120.446 0.2 . 1 . . . . 700 ARG N . 7088 1 506 . 1 1 200 200 TYR H H 1 9.068 0.02 . 1 . . . . 701 TYR H . 7088 1 507 . 1 1 200 200 TYR CA C 13 59.460 0.2 . 1 . . . . 701 TYR CA . 7088 1 508 . 1 1 200 200 TYR CB C 13 35.140 0.2 . 1 . . . . 701 TYR CB . 7088 1 509 . 1 1 200 200 TYR N N 15 125.029 0.2 . 1 . . . . 701 TYR N . 7088 1 510 . 1 1 201 201 LYS H H 1 8.227 0.02 . 1 . . . . 702 LYS H . 7088 1 511 . 1 1 201 201 LYS CA C 13 57.140 0.2 . 1 . . . . 702 LYS CA . 7088 1 512 . 1 1 201 201 LYS CB C 13 32.200 0.2 . 1 . . . . 702 LYS CB . 7088 1 513 . 1 1 201 201 LYS N N 15 119.002 0.2 . 1 . . . . 702 LYS N . 7088 1 514 . 1 1 202 202 ASP H H 1 8.054 0.02 . 1 . . . . 703 ASP H . 7088 1 515 . 1 1 202 202 ASP CA C 13 53.770 0.2 . 1 . . . . 703 ASP CA . 7088 1 516 . 1 1 202 202 ASP CB C 13 42.470 0.2 . 1 . . . . 703 ASP CB . 7088 1 517 . 1 1 202 202 ASP N N 15 120.572 0.2 . 1 . . . . 703 ASP N . 7088 1 518 . 1 1 203 203 ASP H H 1 8.524 0.02 . 1 . . . . 704 ASP H . 7088 1 519 . 1 1 203 203 ASP CA C 13 55.590 0.2 . 1 . . . . 704 ASP CA . 7088 1 520 . 1 1 203 203 ASP CB C 13 41.690 0.2 . 1 . . . . 704 ASP CB . 7088 1 521 . 1 1 203 203 ASP N N 15 122.557 0.2 . 1 . . . . 704 ASP N . 7088 1 522 . 1 1 204 204 VAL H H 1 8.331 0.02 . 1 . . . . 705 VAL H . 7088 1 523 . 1 1 204 204 VAL CA C 13 59.040 0.2 . 1 . . . . 705 VAL CA . 7088 1 524 . 1 1 204 204 VAL CB C 13 35.480 0.2 . 1 . . . . 705 VAL CB . 7088 1 525 . 1 1 204 204 VAL N N 15 115.572 0.2 . 1 . . . . 705 VAL N . 7088 1 526 . 1 1 205 205 ARG H H 1 8.600 0.02 . 1 . . . . 706 ARG H . 7088 1 527 . 1 1 205 205 ARG CA C 13 57.530 0.2 . 1 . . . . 706 ARG CA . 7088 1 528 . 1 1 205 205 ARG CB C 13 31.090 0.2 . 1 . . . . 706 ARG CB . 7088 1 529 . 1 1 205 205 ARG N N 15 118.970 0.2 . 1 . . . . 706 ARG N . 7088 1 530 . 1 1 206 206 GLU H H 1 7.453 0.02 . 1 . . . . 707 GLU H . 7088 1 531 . 1 1 206 206 GLU CA C 13 54.300 0.2 . 1 . . . . 707 GLU CA . 7088 1 532 . 1 1 206 206 GLU CB C 13 33.580 0.2 . 1 . . . . 707 GLU CB . 7088 1 533 . 1 1 206 206 GLU N N 15 113.630 0.2 . 1 . . . . 707 GLU N . 7088 1 534 . 1 1 207 207 VAL H H 1 8.671 0.02 . 1 . . . . 708 VAL H . 7088 1 535 . 1 1 207 207 VAL CA C 13 62.320 0.2 . 1 . . . . 708 VAL CA . 7088 1 536 . 1 1 207 207 VAL CB C 13 34.880 0.2 . 1 . . . . 708 VAL CB . 7088 1 537 . 1 1 207 207 VAL N N 15 120.602 0.2 . 1 . . . . 708 VAL N . 7088 1 538 . 1 1 208 208 ALA H H 1 8.080 0.02 . 1 . . . . 709 ALA H . 7088 1 539 . 1 1 208 208 ALA CA C 13 51.010 0.2 . 1 . . . . 709 ALA CA . 7088 1 540 . 1 1 208 208 ALA CB C 13 21.760 0.2 . 1 . . . . 709 ALA CB . 7088 1 541 . 1 1 208 208 ALA N N 15 128.907 0.2 . 1 . . . . 709 ALA N . 7088 1 542 . 1 1 209 209 GLN H H 1 7.418 0.02 . 1 . . . . 710 GLN H . 7088 1 543 . 1 1 209 209 GLN CA C 13 56.620 0.2 . 1 . . . . 710 GLN CA . 7088 1 544 . 1 1 209 209 GLN CB C 13 28.750 0.2 . 1 . . . . 710 GLN CB . 7088 1 545 . 1 1 209 209 GLN N N 15 115.285 0.2 . 1 . . . . 710 GLN N . 7088 1 546 . 1 1 210 210 GLY H H 1 8.793 0.02 . 1 . . . . 711 GLY H . 7088 1 547 . 1 1 210 210 GLY CA C 13 44.020 0.2 . 1 . . . . 711 GLY CA . 7088 1 548 . 1 1 210 210 GLY N N 15 110.944 0.2 . 1 . . . . 711 GLY N . 7088 1 549 . 1 1 211 211 TYR H H 1 7.388 0.02 . 1 . . . . 712 TYR H . 7088 1 550 . 1 1 211 211 TYR CA C 13 57.140 0.2 . 1 . . . . 712 TYR CA . 7088 1 551 . 1 1 211 211 TYR CB C 13 40.570 0.2 . 1 . . . . 712 TYR CB . 7088 1 552 . 1 1 211 211 TYR N N 15 117.742 0.2 . 1 . . . . 712 TYR N . 7088 1 553 . 1 1 212 212 GLU H H 1 8.289 0.02 . 1 . . . . 713 GLU H . 7088 1 554 . 1 1 212 212 GLU CA C 13 54.720 0.2 . 1 . . . . 713 GLU CA . 7088 1 555 . 1 1 212 212 GLU CB C 13 32.200 0.2 . 1 . . . . 713 GLU CB . 7088 1 556 . 1 1 212 212 GLU N N 15 118.106 0.2 . 1 . . . . 713 GLU N . 7088 1 557 . 1 1 213 213 CYS H H 1 7.172 0.02 . 1 . . . . 714 CYS H . 7088 1 558 . 1 1 213 213 CYS CA C 13 56.020 0.2 . 1 . . . . 714 CYS CA . 7088 1 559 . 1 1 213 213 CYS CB C 13 32.550 0.2 . 1 . . . . 714 CYS CB . 7088 1 560 . 1 1 213 213 CYS N N 15 116.010 0.2 . 1 . . . . 714 CYS N . 7088 1 561 . 1 1 214 214 GLY H H 1 9.087 0.02 . 1 . . . . 715 GLY H . 7088 1 562 . 1 1 214 214 GLY CA C 13 43.940 0.2 . 1 . . . . 715 GLY CA . 7088 1 563 . 1 1 214 214 GLY N N 15 109.116 0.2 . 1 . . . . 715 GLY N . 7088 1 564 . 1 1 215 215 LEU H H 1 9.171 0.02 . 1 . . . . 716 LEU H . 7088 1 565 . 1 1 215 215 LEU CA C 13 54.300 0.2 . 1 . . . . 716 LEU CA . 7088 1 566 . 1 1 215 215 LEU CB C 13 46.700 0.2 . 1 . . . . 716 LEU CB . 7088 1 567 . 1 1 215 215 LEU N N 15 124.532 0.2 . 1 . . . . 716 LEU N . 7088 1 568 . 1 1 216 216 THR H H 1 8.298 0.02 . 1 . . . . 717 THR H . 7088 1 569 . 1 1 216 216 THR CA C 13 59.380 0.2 . 1 . . . . 717 THR CA . 7088 1 570 . 1 1 216 216 THR CB C 13 71.720 0.2 . 1 . . . . 717 THR CB . 7088 1 571 . 1 1 216 216 THR N N 15 111.206 0.2 . 1 . . . . 717 THR N . 7088 1 572 . 1 1 217 217 ILE H H 1 9.582 0.02 . 1 . . . . 718 ILE H . 7088 1 573 . 1 1 217 217 ILE CA C 13 60.420 0.2 . 1 . . . . 718 ILE CA . 7088 1 574 . 1 1 217 217 ILE CB C 13 39.010 0.2 . 1 . . . . 718 ILE CB . 7088 1 575 . 1 1 217 217 ILE N N 15 124.524 0.2 . 1 . . . . 718 ILE N . 7088 1 576 . 1 1 218 218 LYS H H 1 8.681 0.02 . 1 . . . . 719 LYS H . 7088 1 577 . 1 1 218 218 LYS CA C 13 58.520 0.2 . 1 . . . . 719 LYS CA . 7088 1 578 . 1 1 218 218 LYS CB C 13 33.070 0.2 . 1 . . . . 719 LYS CB . 7088 1 579 . 1 1 218 218 LYS N N 15 127.476 0.2 . 1 . . . . 719 LYS N . 7088 1 580 . 1 1 219 219 ASN H H 1 9.266 0.02 . 1 . . . . 720 ASN H . 7088 1 581 . 1 1 219 219 ASN CA C 13 54.720 0.2 . 1 . . . . 720 ASN CA . 7088 1 582 . 1 1 219 219 ASN CB C 13 37.720 0.2 . 1 . . . . 720 ASN CB . 7088 1 583 . 1 1 219 219 ASN N N 15 120.454 0.2 . 1 . . . . 720 ASN N . 7088 1 584 . 1 1 220 220 PHE H H 1 7.563 0.02 . 1 . . . . 721 PHE H . 7088 1 585 . 1 1 220 220 PHE CA C 13 59.900 0.2 . 1 . . . . 721 PHE CA . 7088 1 586 . 1 1 220 220 PHE CB C 13 42.040 0.2 . 1 . . . . 721 PHE CB . 7088 1 587 . 1 1 220 220 PHE N N 15 118.482 0.2 . 1 . . . . 721 PHE N . 7088 1 588 . 1 1 221 221 ASN CA C 13 52.510 0.2 . 1 . . . . 722 ASN CA . 7088 1 589 . 1 1 221 221 ASN CB C 13 41.610 0.2 . 1 . . . . 722 ASN CB . 7088 1 590 . 1 1 222 222 ASP H H 1 5.481 0.02 . 1 . . . . 723 ASP H . 7088 1 591 . 1 1 222 222 ASP CA C 13 53.170 0.2 . 1 . . . . 723 ASP CA . 7088 1 592 . 1 1 222 222 ASP CB C 13 39.190 0.2 . 1 . . . . 723 ASP CB . 7088 1 593 . 1 1 222 222 ASP N N 15 122.484 0.2 . 1 . . . . 723 ASP N . 7088 1 594 . 1 1 223 223 ILE H H 1 7.117 0.02 . 1 . . . . 724 ILE H . 7088 1 595 . 1 1 223 223 ILE CA C 13 60.420 0.2 . 1 . . . . 724 ILE CA . 7088 1 596 . 1 1 223 223 ILE CB C 13 41.090 0.2 . 1 . . . . 724 ILE CB . 7088 1 597 . 1 1 223 223 ILE N N 15 120.848 0.2 . 1 . . . . 724 ILE N . 7088 1 598 . 1 1 224 224 LYS H H 1 9.199 0.02 . 1 . . . . 725 LYS H . 7088 1 599 . 1 1 224 224 LYS CA C 13 54.720 0.2 . 1 . . . . 725 LYS CA . 7088 1 600 . 1 1 224 224 LYS CB C 13 36.430 0.2 . 1 . . . . 725 LYS CB . 7088 1 601 . 1 1 224 224 LYS N N 15 127.772 0.2 . 1 . . . . 725 LYS N . 7088 1 602 . 1 1 225 225 GLU H H 1 8.827 0.02 . 1 . . . . 726 GLU H . 7088 1 603 . 1 1 225 225 GLU CA C 13 59.040 0.2 . 1 . . . . 726 GLU CA . 7088 1 604 . 1 1 225 225 GLU CB C 13 28.840 0.2 . 1 . . . . 726 GLU CB . 7088 1 605 . 1 1 225 225 GLU N N 15 121.082 0.2 . 1 . . . . 726 GLU N . 7088 1 606 . 1 1 226 226 GLY H H 1 9.130 0.02 . 1 . . . . 727 GLY H . 7088 1 607 . 1 1 226 226 GLY CA C 13 44.890 0.2 . 1 . . . . 727 GLY CA . 7088 1 608 . 1 1 226 226 GLY N N 15 114.750 0.2 . 1 . . . . 727 GLY N . 7088 1 609 . 1 1 227 227 ASP H H 1 8.128 0.02 . 1 . . . . 728 ASP H . 7088 1 610 . 1 1 227 227 ASP CA C 13 55.670 0.2 . 1 . . . . 728 ASP CA . 7088 1 611 . 1 1 227 227 ASP CB C 13 41.430 0.2 . 1 . . . . 728 ASP CB . 7088 1 612 . 1 1 227 227 ASP N N 15 123.608 0.2 . 1 . . . . 728 ASP N . 7088 1 613 . 1 1 228 228 VAL H H 1 9.024 0.02 . 1 . . . . 729 VAL H . 7088 1 614 . 1 1 228 228 VAL CA C 13 61.280 0.2 . 1 . . . . 729 VAL CA . 7088 1 615 . 1 1 228 228 VAL CB C 13 35.050 0.2 . 1 . . . . 729 VAL CB . 7088 1 616 . 1 1 228 228 VAL N N 15 120.538 0.2 . 1 . . . . 729 VAL N . 7088 1 617 . 1 1 229 229 ILE H H 1 9.305 0.02 . 1 . . . . 730 ILE H . 7088 1 618 . 1 1 229 229 ILE CA C 13 58.950 0.2 . 1 . . . . 730 ILE CA . 7088 1 619 . 1 1 229 229 ILE CB C 13 40.140 0.2 . 1 . . . . 730 ILE CB . 7088 1 620 . 1 1 229 229 ILE N N 15 125.757 0.2 . 1 . . . . 730 ILE N . 7088 1 621 . 1 1 230 230 GLU H H 1 9.116 0.02 . 1 . . . . 731 GLU H . 7088 1 622 . 1 1 230 230 GLU CA C 13 55.150 0.2 . 1 . . . . 731 GLU CA . 7088 1 623 . 1 1 230 230 GLU CB C 13 33.690 0.2 . 1 . . . . 731 GLU CB . 7088 1 624 . 1 1 230 230 GLU N N 15 128.040 0.2 . 1 . . . . 731 GLU N . 7088 1 625 . 1 1 231 231 ALA H H 1 8.876 0.02 . 1 . . . . 732 ALA H . 7088 1 626 . 1 1 231 231 ALA CA C 13 50.060 0.2 . 1 . . . . 732 ALA CA . 7088 1 627 . 1 1 231 231 ALA CB C 13 21.330 0.2 . 1 . . . . 732 ALA CB . 7088 1 628 . 1 1 231 231 ALA N N 15 129.462 0.2 . 1 . . . . 732 ALA N . 7088 1 629 . 1 1 232 232 TYR H H 1 9.325 0.02 . 1 . . . . 733 TYR H . 7088 1 630 . 1 1 232 232 TYR CA C 13 55.670 0.2 . 1 . . . . 733 TYR CA . 7088 1 631 . 1 1 232 232 TYR CB C 13 42.470 0.2 . 1 . . . . 733 TYR CB . 7088 1 632 . 1 1 232 232 TYR N N 15 120.967 0.2 . 1 . . . . 733 TYR N . 7088 1 633 . 1 1 234 234 MET CA C 13 55.760 0.2 . 1 . . . . 735 MET CA . 7088 1 634 . 1 1 234 234 MET CB C 13 30.020 0.2 . 1 . . . . 735 MET CB . 7088 1 635 . 1 1 235 235 GLN H H 1 7.709 0.02 . 1 . . . . 736 GLN H . 7088 1 636 . 1 1 235 235 GLN CA C 13 56.620 0.2 . 1 . . . . 736 GLN CA . 7088 1 637 . 1 1 235 235 GLN CB C 13 29.350 0.2 . 1 . . . . 736 GLN CB . 7088 1 638 . 1 1 235 235 GLN N N 15 117.593 0.2 . 1 . . . . 736 GLN N . 7088 1 639 . 1 1 236 236 GLU H H 1 8.899 0.02 . 1 . . . . 737 GLU H . 7088 1 640 . 1 1 236 236 GLU CA C 13 56.860 0.2 . 1 . . . . 737 GLU CA . 7088 1 641 . 1 1 236 236 GLU CB C 13 30.120 0.2 . 1 . . . . 737 GLU CB . 7088 1 642 . 1 1 236 236 GLU N N 15 124.885 0.2 . 1 . . . . 737 GLU N . 7088 1 643 . 1 1 237 237 VAL H H 1 8.188 0.02 . 1 . . . . 738 VAL H . 7088 1 644 . 1 1 237 237 VAL CA C 13 62.400 0.2 . 1 . . . . 738 VAL CA . 7088 1 645 . 1 1 237 237 VAL CB C 13 32.720 0.2 . 1 . . . . 738 VAL CB . 7088 1 646 . 1 1 237 237 VAL N N 15 123.398 0.2 . 1 . . . . 738 VAL N . 7088 1 647 . 1 1 238 238 ALA H H 1 8.379 0.02 . 1 . . . . 739 ALA H . 7088 1 648 . 1 1 238 238 ALA CA C 13 52.220 0.2 . 1 . . . . 739 ALA CA . 7088 1 649 . 1 1 238 238 ALA CB C 13 19.170 0.2 . 1 . . . . 739 ALA CB . 7088 1 650 . 1 1 238 238 ALA N N 15 128.317 0.2 . 1 . . . . 739 ALA N . 7088 1 651 . 1 1 239 239 ARG H H 1 8.296 0.02 . 1 . . . . 740 ARG H . 7088 1 652 . 1 1 239 239 ARG CA C 13 55.670 0.2 . 1 . . . . 740 ARG CA . 7088 1 653 . 1 1 239 239 ARG CB C 13 31.080 0.2 . 1 . . . . 740 ARG CB . 7088 1 654 . 1 1 239 239 ARG N N 15 121.807 0.2 . 1 . . . . 740 ARG N . 7088 1 655 . 1 1 240 240 ALA H H 1 7.957 0.02 . 1 . . . . 741 ALA H . 7088 1 656 . 1 1 240 240 ALA CA C 13 53.690 0.2 . 1 . . . . 741 ALA CA . 7088 1 657 . 1 1 240 240 ALA CB C 13 20.290 0.2 . 1 . . . . 741 ALA CB . 7088 1 658 . 1 1 240 240 ALA N N 15 130.888 0.2 . 1 . . . . 741 ALA N . 7088 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronucl_NOE_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronucl_NOE_list_1 _Heteronucl_NOE_list.Entry_ID 7088 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600.13 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type hetNOE _Heteronucl_NOE_list.NOE_ref_val 1 _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 8 1H15N-hetNOE 1 $sample_2 isotropic 7088 1 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 3 $software_3 . . 7088 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 10 10 SER N N 15 . 1 1 10 10 SER H H 1 0.617870507 0.083153797 . . . . . . . . . . 7088 1 2 . 1 1 11 11 SER N N 15 . 1 1 11 11 SER H H 1 0.786633487 0.078208319 . . . . . . . . . . 7088 1 3 . 1 1 44 44 LEU N N 15 . 1 1 44 44 LEU H H 1 0.690068493 0.042327228 . . . . . . . . . . 7088 1 4 . 1 1 45 45 ILE N N 15 . 1 1 45 45 ILE H H 1 0.767582258 0.04900978 . . . . . . . . . . 7088 1 5 . 1 1 46 46 VAL N N 15 . 1 1 46 46 VAL H H 1 0.834420342 0.035428443 . . . . . . . . . . 7088 1 6 . 1 1 47 47 LYS N N 15 . 1 1 47 47 LYS H H 1 0.802688237 0.08853475 . . . . . . . . . . 7088 1 7 . 1 1 48 48 ALA N N 15 . 1 1 48 48 ALA H H 1 0.795637419 0.026381744 . . . . . . . . . . 7088 1 8 . 1 1 49 49 ASP N N 15 . 1 1 49 49 ASP H H 1 0.734487758 0.036247405 . . . . . . . . . . 7088 1 9 . 1 1 50 50 VAL N N 15 . 1 1 50 50 VAL H H 1 0.737987857 0.025638336 . . . . . . . . . . 7088 1 10 . 1 1 51 51 GLN N N 15 . 1 1 51 51 GLN H H 1 0.827865831 0.028961087 . . . . . . . . . . 7088 1 11 . 1 1 52 52 GLY N N 15 . 1 1 52 52 GLY H H 1 0.810184589 0.023610217 . . . . . . . . . . 7088 1 12 . 1 1 54 54 VAL N N 15 . 1 1 54 54 VAL H H 1 0.722525601 0.025399171 . . . . . . . . . . 7088 1 13 . 1 1 55 55 GLU N N 15 . 1 1 55 55 GLU H H 1 0.730033901 0.021680858 . . . . . . . . . . 7088 1 14 . 1 1 58 58 VAL N N 15 . 1 1 58 58 VAL H H 1 0.723955648 0.018002537 . . . . . . . . . . 7088 1 15 . 1 1 59 59 ALA N N 15 . 1 1 59 59 ALA H H 1 0.725119243 0.019577134 . . . . . . . . . . 7088 1 16 . 1 1 60 60 ALA N N 15 . 1 1 60 60 ALA H H 1 0.715242601 0.023025076 . . . . . . . . . . 7088 1 17 . 1 1 61 61 LEU N N 15 . 1 1 61 61 LEU H H 1 0.858496833 0.035643115 . . . . . . . . . . 7088 1 18 . 1 1 62 62 GLN N N 15 . 1 1 62 62 GLN H H 1 0.793401015 0.027237836 . . . . . . . . . . 7088 1 19 . 1 1 63 63 LYS N N 15 . 1 1 63 63 LYS H H 1 0.672180877 0.022245591 . . . . . . . . . . 7088 1 20 . 1 1 64 64 ILE N N 15 . 1 1 64 64 ILE H H 1 0.744205777 0.029627635 . . . . . . . . . . 7088 1 21 . 1 1 65 65 ASP N N 15 . 1 1 65 65 ASP H H 1 0.642097845 0.026276814 . . . . . . . . . . 7088 1 22 . 1 1 73 73 ILE N N 15 . 1 1 73 73 ILE H H 1 0.67860492 0.026449301 . . . . . . . . . . 7088 1 23 . 1 1 74 74 ILE N N 15 . 1 1 74 74 ILE H H 1 0.703828742 0.042200568 . . . . . . . . . . 7088 1 24 . 1 1 77 77 ALA N N 15 . 1 1 77 77 ALA H H 1 0.762730566 0.022900446 . . . . . . . . . . 7088 1 25 . 1 1 78 78 VAL N N 15 . 1 1 78 78 VAL H H 1 0.806164717 0.029781243 . . . . . . . . . . 7088 1 26 . 1 1 79 79 GLY N N 15 . 1 1 79 79 GLY H H 1 0.835672534 0.036326409 . . . . . . . . . . 7088 1 27 . 1 1 80 80 ALA N N 15 . 1 1 80 80 ALA H H 1 0.727379905 0.018794905 . . . . . . . . . . 7088 1 28 . 1 1 81 81 ILE N N 15 . 1 1 81 81 ILE H H 1 0.758327266 0.050054605 . . . . . . . . . . 7088 1 29 . 1 1 82 82 THR N N 15 . 1 1 82 82 THR H H 1 0.919445983 0.048753463 . . . . . . . . . . 7088 1 30 . 1 1 83 83 GLU N N 15 . 1 1 83 83 GLU H H 1 0.754185367 0.040969106 . . . . . . . . . . 7088 1 31 . 1 1 84 84 SER N N 15 . 1 1 84 84 SER H H 1 0.672465961 0.044976898 . . . . . . . . . . 7088 1 32 . 1 1 85 85 ASP N N 15 . 1 1 85 85 ASP H H 1 0.749531185 0.024268096 . . . . . . . . . . 7088 1 33 . 1 1 87 87 SER N N 15 . 1 1 87 87 SER H H 1 0.744634936 0.065939336 . . . . . . . . . . 7088 1 34 . 1 1 88 88 LEU N N 15 . 1 1 88 88 LEU H H 1 0.751605064 0.026599925 . . . . . . . . . . 7088 1 35 . 1 1 89 89 ALA N N 15 . 1 1 89 89 ALA H H 1 0.736339256 0.03072969 . . . . . . . . . . 7088 1 36 . 1 1 90 90 THR N N 15 . 1 1 90 90 THR H H 1 0.752059725 0.029329423 . . . . . . . . . . 7088 1 37 . 1 1 91 91 ALA N N 15 . 1 1 91 91 ALA H H 1 0.841825223 0.074086547 . . . . . . . . . . 7088 1 38 . 1 1 92 92 SER N N 15 . 1 1 92 92 SER H H 1 0.504891536 0.103974668 . . . . . . . . . . 7088 1 39 . 1 1 97 97 ILE N N 15 . 1 1 97 97 ILE H H 1 0.827784344 0.040003637 . . . . . . . . . . 7088 1 40 . 1 1 98 98 GLY N N 15 . 1 1 98 98 GLY H H 1 0.741998199 0.045022921 . . . . . . . . . . 7088 1 41 . 1 1 100 100 ASN N N 15 . 1 1 100 100 ASN H H 1 0.709486896 0.03691399 . . . . . . . . . . 7088 1 42 . 1 1 101 101 VAL N N 15 . 1 1 101 101 VAL H H 1 0.731468061 0.020572861 . . . . . . . . . . 7088 1 43 . 1 1 102 102 ARG N N 15 . 1 1 102 102 ARG H H 1 0.699251256 0.043693273 . . . . . . . . . . 7088 1 44 . 1 1 106 106 ASN N N 15 . 1 1 106 106 ASN H H 1 0.665364293 0.016920604 . . . . . . . . . . 7088 1 45 . 1 1 107 107 ALA N N 15 . 1 1 107 107 ALA H H 1 0.749656221 0.017691572 . . . . . . . . . . 7088 1 46 . 1 1 108 108 LYS N N 15 . 1 1 108 108 LYS H H 1 0.758929414 0.025950741 . . . . . . . . . . 7088 1 47 . 1 1 109 109 ARG N N 15 . 1 1 109 109 ARG H H 1 0.801799028 0.020528324 . . . . . . . . . . 7088 1 48 . 1 1 110 110 ALA N N 15 . 1 1 110 110 ALA H H 1 0.676717367 0.084287958 . . . . . . . . . . 7088 1 49 . 1 1 111 111 ALA N N 15 . 1 1 111 111 ALA H H 1 0.814986583 0.03412387 . . . . . . . . . . 7088 1 50 . 1 1 112 112 GLU N N 15 . 1 1 112 112 GLU H H 1 0.741254725 0.029384659 . . . . . . . . . . 7088 1 51 . 1 1 113 113 SER N N 15 . 1 1 113 113 SER H H 1 0.724461127 0.025024171 . . . . . . . . . . 7088 1 52 . 1 1 114 114 GLU N N 15 . 1 1 114 114 GLU H H 1 0.623767341 0.052529787 . . . . . . . . . . 7088 1 53 . 1 1 118 118 ILE N N 15 . 1 1 118 118 ILE H H 1 0.807650406 0.038044512 . . . . . . . . . . 7088 1 54 . 1 1 119 119 ARG N N 15 . 1 1 119 119 ARG H H 1 0.672499049 0.059772863 . . . . . . . . . . 7088 1 55 . 1 1 124 124 ILE N N 15 . 1 1 124 124 ILE H H 1 0.707997092 0.03998546 . . . . . . . . . . 7088 1 56 . 1 1 126 126 ASN N N 15 . 1 1 126 126 ASN H H 1 0.736199424 0.028548442 . . . . . . . . . . 7088 1 57 . 1 1 127 127 VAL N N 15 . 1 1 127 127 VAL H H 1 0.727318453 0.027664257 . . . . . . . . . . 7088 1 58 . 1 1 146 146 VAL N N 15 . 1 1 146 146 VAL H H 1 0.734854952 0.035436432 . . . . . . . . . . 7088 1 59 . 1 1 147 147 ILE N N 15 . 1 1 147 147 ILE H H 1 0.724544036 0.053642836 . . . . . . . . . . 7088 1 60 . 1 1 148 148 GLY N N 15 . 1 1 148 148 GLY H H 1 0.711660261 0.029773182 . . . . . . . . . . 7088 1 61 . 1 1 149 149 GLN N N 15 . 1 1 149 149 GLN H H 1 0.715757649 0.026605394 . . . . . . . . . . 7088 1 62 . 1 1 150 150 ALA N N 15 . 1 1 150 150 ALA H H 1 0.596679052 0.042134293 . . . . . . . . . . 7088 1 63 . 1 1 151 151 GLU N N 15 . 1 1 151 151 GLU H H 1 0.830261179 0.040838299 . . . . . . . . . . 7088 1 64 . 1 1 152 152 VAL N N 15 . 1 1 152 152 VAL H H 1 0.74081751 0.027143404 . . . . . . . . . . 7088 1 65 . 1 1 153 153 ARG N N 15 . 1 1 153 153 ARG H H 1 0.574550939 0.049520551 . . . . . . . . . . 7088 1 66 . 1 1 154 154 GLN N N 15 . 1 1 154 154 GLN H H 1 0.63400406 0.028268188 . . . . . . . . . . 7088 1 67 . 1 1 155 155 THR N N 15 . 1 1 155 155 THR H H 1 0.724473885 0.021849023 . . . . . . . . . . 7088 1 68 . 1 1 156 156 PHE N N 15 . 1 1 156 156 PHE H H 1 0.648233834 0.035468425 . . . . . . . . . . 7088 1 69 . 1 1 157 157 LYS N N 15 . 1 1 157 157 LYS H H 1 0.622832127 0.021790161 . . . . . . . . . . 7088 1 70 . 1 1 158 158 VAL N N 15 . 1 1 158 158 VAL H H 1 0.638264578 0.020132509 . . . . . . . . . . 7088 1 71 . 1 1 161 161 VAL N N 15 . 1 1 161 161 VAL H H 1 0.383314001 0.016788254 . . . . . . . . . . 7088 1 72 . 1 1 162 162 GLY N N 15 . 1 1 162 162 GLY H H 1 0.511557158 0.023401517 . . . . . . . . . . 7088 1 73 . 1 1 163 163 THR N N 15 . 1 1 163 163 THR H H 1 0.624285879 0.02544235 . . . . . . . . . . 7088 1 74 . 1 1 164 164 ILE N N 15 . 1 1 164 164 ILE H H 1 0.696081557 0.018459473 . . . . . . . . . . 7088 1 75 . 1 1 165 165 ALA N N 15 . 1 1 165 165 ALA H H 1 0.772063709 0.044298572 . . . . . . . . . . 7088 1 76 . 1 1 166 166 GLY N N 15 . 1 1 166 166 GLY H H 1 0.78436844 0.056320721 . . . . . . . . . . 7088 1 77 . 1 1 167 167 CYS N N 15 . 1 1 167 167 CYS H H 1 0.780715709 0.040228939 . . . . . . . . . . 7088 1 78 . 1 1 168 168 TYR N N 15 . 1 1 168 168 TYR H H 1 0.751293857 0.036967334 . . . . . . . . . . 7088 1 79 . 1 1 169 169 VAL N N 15 . 1 1 169 169 VAL H H 1 0.764301042 0.033721643 . . . . . . . . . . 7088 1 80 . 1 1 170 170 THR N N 15 . 1 1 170 170 THR H H 1 0.708392365 0.033514617 . . . . . . . . . . 7088 1 81 . 1 1 171 171 ASP N N 15 . 1 1 171 171 ASP H H 1 0.737516328 0.017311112 . . . . . . . . . . 7088 1 82 . 1 1 172 172 GLY N N 15 . 1 1 172 172 GLY H H 1 0.707970626 0.024552475 . . . . . . . . . . 7088 1 83 . 1 1 173 173 LYS N N 15 . 1 1 173 173 LYS H H 1 0.728234872 0.043849159 . . . . . . . . . . 7088 1 84 . 1 1 174 174 ILE N N 15 . 1 1 174 174 ILE H H 1 0.826612547 0.048530839 . . . . . . . . . . 7088 1 85 . 1 1 175 175 THR N N 15 . 1 1 175 175 THR H H 1 0.689255601 0.036159826 . . . . . . . . . . 7088 1 86 . 1 1 176 176 ARG N N 15 . 1 1 176 176 ARG H H 1 0.717319569 0.024525652 . . . . . . . . . . 7088 1 87 . 1 1 177 177 ASP N N 15 . 1 1 177 177 ASP H H 1 0.69467139 0.02094879 . . . . . . . . . . 7088 1 88 . 1 1 178 178 SER N N 15 . 1 1 178 178 SER H H 1 0.682063059 0.021051624 . . . . . . . . . . 7088 1 89 . 1 1 179 179 LYS N N 15 . 1 1 179 179 LYS H H 1 0.593661905 0.029960915 . . . . . . . . . . 7088 1 90 . 1 1 180 180 VAL N N 15 . 1 1 180 180 VAL H H 1 0.722532178 0.037307738 . . . . . . . . . . 7088 1 91 . 1 1 181 181 ARG N N 15 . 1 1 181 181 ARG H H 1 0.803159174 0.039897717 . . . . . . . . . . 7088 1 92 . 1 1 182 182 LEU N N 15 . 1 1 182 182 LEU H H 1 0.706914424 0.042231351 . . . . . . . . . . 7088 1 93 . 1 1 183 183 ILE N N 15 . 1 1 183 183 ILE H H 1 0.766099847 0.047961631 . . . . . . . . . . 7088 1 94 . 1 1 184 184 ARG N N 15 . 1 1 184 184 ARG H H 1 0.779755598 0.051800052 . . . . . . . . . . 7088 1 95 . 1 1 185 185 GLN N N 15 . 1 1 185 185 GLN H H 1 0.644258689 0.048394193 . . . . . . . . . . 7088 1 96 . 1 1 186 186 GLY N N 15 . 1 1 186 186 GLY H H 1 0.756082144 0.033918165 . . . . . . . . . . 7088 1 97 . 1 1 187 187 ILE N N 15 . 1 1 187 187 ILE H H 1 0.728726101 0.021872918 . . . . . . . . . . 7088 1 98 . 1 1 188 188 VAL N N 15 . 1 1 188 188 VAL H H 1 0.803649219 0.0368608 . . . . . . . . . . 7088 1 99 . 1 1 190 190 TYR N N 15 . 1 1 190 190 TYR H H 1 0.672990063 0.024535225 . . . . . . . . . . 7088 1 100 . 1 1 191 191 GLU N N 15 . 1 1 191 191 GLU H H 1 0.75164286 0.026429919 . . . . . . . . . . 7088 1 101 . 1 1 192 192 GLY N N 15 . 1 1 192 192 GLY H H 1 0.640825003 0.02527864 . . . . . . . . . . 7088 1 102 . 1 1 193 193 GLU N N 15 . 1 1 193 193 GLU H H 1 0.647992849 0.02587596 . . . . . . . . . . 7088 1 103 . 1 1 194 194 ILE N N 15 . 1 1 194 194 ILE H H 1 0.618085398 0.025144007 . . . . . . . . . . 7088 1 104 . 1 1 195 195 ASP N N 15 . 1 1 195 195 ASP H H 1 0.678593826 0.039418753 . . . . . . . . . . 7088 1 105 . 1 1 196 196 SER N N 15 . 1 1 196 196 SER H H 1 0.616552005 0.023611991 . . . . . . . . . . 7088 1 106 . 1 1 197 197 LEU N N 15 . 1 1 197 197 LEU H H 1 0.647879003 0.02599551 . . . . . . . . . . 7088 1 107 . 1 1 198 198 LYS N N 15 . 1 1 198 198 LYS H H 1 0.711638218 0.032513116 . . . . . . . . . . 7088 1 108 . 1 1 199 199 ARG N N 15 . 1 1 199 199 ARG H H 1 0.734766484 0.017470994 . . . . . . . . . . 7088 1 109 . 1 1 200 200 TYR N N 15 . 1 1 200 200 TYR H H 1 0.582426735 0.028629431 . . . . . . . . . . 7088 1 110 . 1 1 201 201 LYS N N 15 . 1 1 201 201 LYS H H 1 0.67383628 0.027257747 . . . . . . . . . . 7088 1 111 . 1 1 202 202 ASP N N 15 . 1 1 202 202 ASP H H 1 0.626386433 0.017682045 . . . . . . . . . . 7088 1 112 . 1 1 203 203 ASP N N 15 . 1 1 203 203 ASP H H 1 0.670645098 0.016692717 . . . . . . . . . . 7088 1 113 . 1 1 204 204 VAL N N 15 . 1 1 204 204 VAL H H 1 0.63582732 0.034065219 . . . . . . . . . . 7088 1 114 . 1 1 206 206 GLU N N 15 . 1 1 206 206 GLU H H 1 0.707802988 0.023872305 . . . . . . . . . . 7088 1 115 . 1 1 207 207 VAL N N 15 . 1 1 207 207 VAL H H 1 0.753459413 0.030171291 . . . . . . . . . . 7088 1 116 . 1 1 208 208 ALA N N 15 . 1 1 208 208 ALA H H 1 0.766429678 0.026828941 . . . . . . . . . . 7088 1 117 . 1 1 209 209 GLN N N 15 . 1 1 209 209 GLN H H 1 0.729180573 0.024889412 . . . . . . . . . . 7088 1 118 . 1 1 210 210 GLY N N 15 . 1 1 210 210 GLY H H 1 0.700435752 0.045007263 . . . . . . . . . . 7088 1 119 . 1 1 211 211 TYR N N 15 . 1 1 211 211 TYR H H 1 0.616942091 0.019175121 . . . . . . . . . . 7088 1 120 . 1 1 212 212 GLU N N 15 . 1 1 212 212 GLU H H 1 0.757046767 0.03481839 . . . . . . . . . . 7088 1 121 . 1 1 213 213 CYS N N 15 . 1 1 213 213 CYS H H 1 0.815506361 0.020386037 . . . . . . . . . . 7088 1 122 . 1 1 214 214 GLY N N 15 . 1 1 214 214 GLY H H 1 0.79956523 0.032313974 . . . . . . . . . . 7088 1 123 . 1 1 215 215 LEU N N 15 . 1 1 215 215 LEU H H 1 0.813121096 0.032485271 . . . . . . . . . . 7088 1 124 . 1 1 216 216 THR N N 15 . 1 1 216 216 THR H H 1 0.771045241 0.041748899 . . . . . . . . . . 7088 1 125 . 1 1 217 217 ILE N N 15 . 1 1 217 217 ILE H H 1 0.718128981 0.055836146 . . . . . . . . . . 7088 1 126 . 1 1 218 218 LYS N N 15 . 1 1 218 218 LYS H H 1 0.715552292 0.023415714 . . . . . . . . . . 7088 1 127 . 1 1 219 219 ASN N N 15 . 1 1 219 219 ASN H H 1 0.711107138 0.035756079 . . . . . . . . . . 7088 1 128 . 1 1 220 220 PHE N N 15 . 1 1 220 220 PHE H H 1 0.726963799 0.018014625 . . . . . . . . . . 7088 1 129 . 1 1 222 222 ASP N N 15 . 1 1 222 222 ASP H H 1 0.6730137 0.026887306 . . . . . . . . . . 7088 1 130 . 1 1 223 223 ILE N N 15 . 1 1 223 223 ILE H H 1 0.618124912 0.025788906 . . . . . . . . . . 7088 1 131 . 1 1 224 224 LYS N N 15 . 1 1 224 224 LYS H H 1 0.701146064 0.024743288 . . . . . . . . . . 7088 1 132 . 1 1 225 225 GLU N N 15 . 1 1 225 225 GLU H H 1 0.76185792 0.024874778 . . . . . . . . . . 7088 1 133 . 1 1 226 226 GLY N N 15 . 1 1 226 226 GLY H H 1 0.776504014 0.036340811 . . . . . . . . . . 7088 1 134 . 1 1 227 227 ASP N N 15 . 1 1 227 227 ASP H H 1 0.677517352 0.022655655 . . . . . . . . . . 7088 1 135 . 1 1 228 228 VAL N N 15 . 1 1 228 228 VAL H H 1 0.812681273 0.03843869 . . . . . . . . . . 7088 1 136 . 1 1 229 229 ILE N N 15 . 1 1 229 229 ILE H H 1 0.835804313 0.04006994 . . . . . . . . . . 7088 1 137 . 1 1 231 231 ALA N N 15 . 1 1 231 231 ALA H H 1 0.793322022 0.035214649 . . . . . . . . . . 7088 1 138 . 1 1 232 232 TYR N N 15 . 1 1 232 232 TYR H H 1 0.677398464 0.050883523 . . . . . . . . . . 7088 1 139 . 1 1 235 235 GLN N N 15 . 1 1 235 235 GLN H H 1 0.766919147 0.038752862 . . . . . . . . . . 7088 1 140 . 1 1 237 237 VAL N N 15 . 1 1 237 237 VAL H H 1 0.21293776 0.020027492 . . . . . . . . . . 7088 1 141 . 1 1 238 238 ALA N N 15 . 1 1 238 238 ALA H H 1 0.050886112 0.009994594 . . . . . . . . . . 7088 1 142 . 1 1 239 239 ARG N N 15 . 1 1 239 239 ARG H H 1 -0.155294632 0.011450104 . . . . . . . . . . 7088 1 143 . 1 1 240 240 ALA N N 15 . 1 1 240 240 ALA H H 1 -0.702107491 0.005992607 . . . . . . . . . . 7088 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_T1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode T1_list_1 _Heteronucl_T1_list.Entry_ID 7088 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 600.13 _Heteronucl_T1_list.T1_coherence_type Nz _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 6 R1-1H15N-HSQC 1 $sample_2 isotropic 7088 1 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 4 $software_4 . . 7088 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 10 10 SER N N 15 0.8630 0.0276 . . . . . 7088 1 2 . 1 1 11 11 SER N N 15 0.8954 0.0245 . . . . . 7088 1 3 . 1 1 13 13 VAL N N 15 0.8411 0.0378 . . . . . 7088 1 4 . 1 1 16 16 GLN N N 15 0.8377 0.0420 . . . . . 7088 1 5 . 1 1 44 44 LEU N N 15 0.8404 0.0151 . . . . . 7088 1 6 . 1 1 45 45 ILE N N 15 0.9051 0.0214 . . . . . 7088 1 7 . 1 1 46 46 VAL N N 15 0.8955 0.0133 . . . . . 7088 1 8 . 1 1 47 47 LYS N N 15 0.9112 0.0136 . . . . . 7088 1 9 . 1 1 48 48 ALA N N 15 0.8814 0.0125 . . . . . 7088 1 10 . 1 1 49 49 ASP N N 15 0.9105 0.0122 . . . . . 7088 1 11 . 1 1 50 50 VAL N N 15 0.9044 0.0101 . . . . . 7088 1 12 . 1 1 51 51 GLN N N 15 0.8460 0.0138 . . . . . 7088 1 13 . 1 1 52 52 GLY N N 15 0.8503 0.0128 . . . . . 7088 1 14 . 1 1 54 54 VAL N N 15 0.9027 0.0108 . . . . . 7088 1 15 . 1 1 55 55 GLU N N 15 0.8856 0.0096 . . . . . 7088 1 16 . 1 1 58 58 VAL N N 15 0.9057 0.0084 . . . . . 7088 1 17 . 1 1 59 59 ALA N N 15 0.8817 0.0061 . . . . . 7088 1 18 . 1 1 60 60 ALA N N 15 0.9067 0.0078 . . . . . 7088 1 19 . 1 1 61 61 LEU N N 15 0.8904 0.0125 . . . . . 7088 1 20 . 1 1 62 62 GLN N N 15 0.9015 0.0116 . . . . . 7088 1 21 . 1 1 63 63 LYS N N 15 0.8953 0.0107 . . . . . 7088 1 22 . 1 1 64 64 ILE N N 15 0.8689 0.0133 . . . . . 7088 1 23 . 1 1 65 65 ASP N N 15 0.8867 0.0101 . . . . . 7088 1 24 . 1 1 73 73 ILE N N 15 0.8935 0.0107 . . . . . 7088 1 25 . 1 1 74 74 ILE N N 15 0.8962 0.0273 . . . . . 7088 1 26 . 1 1 77 77 ALA N N 15 0.8948 0.0114 . . . . . 7088 1 27 . 1 1 78 78 VAL N N 15 0.9753 0.0099 . . . . . 7088 1 28 . 1 1 79 79 GLY N N 15 0.8542 0.0139 . . . . . 7088 1 29 . 1 1 80 80 ALA N N 15 1.0144 0.0095 . . . . . 7088 1 30 . 1 1 81 81 ILE N N 15 0.9720 0.0231 . . . . . 7088 1 31 . 1 1 82 82 THR N N 15 0.8789 0.0194 . . . . . 7088 1 32 . 1 1 83 83 GLU N N 15 0.9416 0.0176 . . . . . 7088 1 33 . 1 1 84 84 SER N N 15 0.9959 0.0304 . . . . . 7088 1 34 . 1 1 85 85 ASP N N 15 0.9053 0.0112 . . . . . 7088 1 35 . 1 1 87 87 SER N N 15 0.8682 0.0305 . . . . . 7088 1 36 . 1 1 88 88 LEU N N 15 0.8897 0.0130 . . . . . 7088 1 37 . 1 1 89 89 ALA N N 15 0.8636 0.0104 . . . . . 7088 1 38 . 1 1 90 90 THR N N 15 0.9010 0.0130 . . . . . 7088 1 39 . 1 1 91 91 ALA N N 15 0.8745 0.0271 . . . . . 7088 1 40 . 1 1 92 92 SER N N 15 1.0334 0.0555 . . . . . 7088 1 41 . 1 1 97 97 ILE N N 15 0.8586 0.0146 . . . . . 7088 1 42 . 1 1 98 98 GLY N N 15 0.9230 0.0253 . . . . . 7088 1 43 . 1 1 100 100 ASN N N 15 0.8745 0.0187 . . . . . 7088 1 44 . 1 1 101 101 VAL N N 15 0.8943 0.0072 . . . . . 7088 1 45 . 1 1 102 102 ARG N N 15 0.8874 0.0162 . . . . . 7088 1 46 . 1 1 106 106 ASN N N 15 0.8892 0.0059 . . . . . 7088 1 47 . 1 1 107 107 ALA N N 15 0.8938 0.0090 . . . . . 7088 1 48 . 1 1 108 108 LYS N N 15 0.9142 0.0127 . . . . . 7088 1 49 . 1 1 109 109 ARG N N 15 0.8807 0.0066 . . . . . 7088 1 50 . 1 1 110 110 ALA N N 15 0.8652 0.0078 . . . . . 7088 1 51 . 1 1 111 111 ALA N N 15 0.8953 0.0102 . . . . . 7088 1 52 . 1 1 112 112 GLU N N 15 0.9072 0.0123 . . . . . 7088 1 53 . 1 1 113 113 SER N N 15 0.9304 0.0096 . . . . . 7088 1 54 . 1 1 114 114 GLU N N 15 0.9410 0.0172 . . . . . 7088 1 55 . 1 1 118 118 ILE N N 15 0.9522 0.0165 . . . . . 7088 1 56 . 1 1 119 119 ARG N N 15 0.8992 0.0213 . . . . . 7088 1 57 . 1 1 124 124 ILE N N 15 0.8450 0.0165 . . . . . 7088 1 58 . 1 1 126 126 ASN N N 15 0.9120 0.0105 . . . . . 7088 1 59 . 1 1 127 127 VAL N N 15 0.8623 0.0144 . . . . . 7088 1 60 . 1 1 146 146 VAL N N 15 0.9819 0.0154 . . . . . 7088 1 61 . 1 1 147 147 ILE N N 15 0.8365 0.0335 . . . . . 7088 1 62 . 1 1 148 148 GLY N N 15 0.8232 0.0140 . . . . . 7088 1 63 . 1 1 149 149 GLN N N 15 0.8365 0.0112 . . . . . 7088 1 64 . 1 1 150 150 ALA N N 15 0.8908 0.0152 . . . . . 7088 1 65 . 1 1 151 151 GLU N N 15 0.8906 0.0135 . . . . . 7088 1 66 . 1 1 152 152 VAL N N 15 0.9014 0.0132 . . . . . 7088 1 67 . 1 1 153 153 ARG N N 15 0.8384 0.0202 . . . . . 7088 1 68 . 1 1 154 154 GLN N N 15 0.9442 0.0096 . . . . . 7088 1 69 . 1 1 155 155 THR N N 15 0.9932 0.0093 . . . . . 7088 1 70 . 1 1 156 156 PHE N N 15 1.0656 0.0167 . . . . . 7088 1 71 . 1 1 157 157 LYS N N 15 1.0091 0.0111 . . . . . 7088 1 72 . 1 1 158 158 VAL N N 15 1.0052 0.0106 . . . . . 7088 1 73 . 1 1 161 161 VAL N N 15 0.9872 0.0092 . . . . . 7088 1 74 . 1 1 162 162 GLY N N 15 0.9112 0.0078 . . . . . 7088 1 75 . 1 1 163 163 THR N N 15 1.0467 0.0118 . . . . . 7088 1 76 . 1 1 164 164 ILE N N 15 0.9547 0.0116 . . . . . 7088 1 77 . 1 1 165 165 ALA N N 15 0.8634 0.0157 . . . . . 7088 1 78 . 1 1 166 166 GLY N N 15 0.8087 0.0175 . . . . . 7088 1 79 . 1 1 167 167 CYS N N 15 0.8547 0.0150 . . . . . 7088 1 80 . 1 1 168 168 TYR N N 15 0.8769 0.0135 . . . . . 7088 1 81 . 1 1 169 169 VAL N N 15 0.8813 0.0153 . . . . . 7088 1 82 . 1 1 170 170 THR N N 15 0.8199 0.0208 . . . . . 7088 1 83 . 1 1 171 171 ASP N N 15 0.8750 0.0070 . . . . . 7088 1 84 . 1 1 172 172 GLY N N 15 0.8787 0.0090 . . . . . 7088 1 85 . 1 1 173 173 LYS N N 15 1.0053 0.0307 . . . . . 7088 1 86 . 1 1 174 174 ILE N N 15 0.9703 0.0158 . . . . . 7088 1 87 . 1 1 175 175 THR N N 15 0.9051 0.0147 . . . . . 7088 1 88 . 1 1 176 176 ARG N N 15 0.8612 0.0108 . . . . . 7088 1 89 . 1 1 177 177 ASP N N 15 0.8074 0.0095 . . . . . 7088 1 90 . 1 1 178 178 SER N N 15 1.0399 0.0085 . . . . . 7088 1 91 . 1 1 179 179 LYS N N 15 0.8774 0.0119 . . . . . 7088 1 92 . 1 1 180 180 VAL N N 15 0.7940 0.0117 . . . . . 7088 1 93 . 1 1 181 181 ARG N N 15 0.8226 0.0174 . . . . . 7088 1 94 . 1 1 182 182 LEU N N 15 0.8846 0.0155 . . . . . 7088 1 95 . 1 1 183 183 ILE N N 15 0.8498 0.0158 . . . . . 7088 1 96 . 1 1 184 184 ARG N N 15 0.9134 0.0179 . . . . . 7088 1 97 . 1 1 185 185 GLN N N 15 0.8588 0.0146 . . . . . 7088 1 98 . 1 1 186 186 GLY N N 15 0.9528 0.0142 . . . . . 7088 1 99 . 1 1 187 187 ILE N N 15 0.9984 0.0102 . . . . . 7088 1 100 . 1 1 188 188 VAL N N 15 1.0036 0.0183 . . . . . 7088 1 101 . 1 1 190 190 TYR N N 15 0.8054 0.0077 . . . . . 7088 1 102 . 1 1 191 191 GLU N N 15 0.8797 0.0085 . . . . . 7088 1 103 . 1 1 192 192 GLY N N 15 0.8254 0.0088 . . . . . 7088 1 104 . 1 1 193 193 GLU N N 15 0.8714 0.0112 . . . . . 7088 1 105 . 1 1 194 194 ILE N N 15 0.9449 0.0152 . . . . . 7088 1 106 . 1 1 195 195 ASP N N 15 0.8454 0.0192 . . . . . 7088 1 107 . 1 1 196 196 SER N N 15 0.8763 0.0094 . . . . . 7088 1 108 . 1 1 197 197 LEU N N 15 0.8564 0.0092 . . . . . 7088 1 109 . 1 1 198 198 LYS N N 15 0.7906 0.0181 . . . . . 7088 1 110 . 1 1 199 199 ARG N N 15 0.8953 0.0087 . . . . . 7088 1 111 . 1 1 200 200 TYR N N 15 0.8449 0.0161 . . . . . 7088 1 112 . 1 1 201 201 LYS N N 15 0.8833 0.0086 . . . . . 7088 1 113 . 1 1 202 202 ASP N N 15 0.8474 0.0064 . . . . . 7088 1 114 . 1 1 203 203 ASP N N 15 0.9777 0.0090 . . . . . 7088 1 115 . 1 1 204 204 VAL N N 15 0.8895 0.0118 . . . . . 7088 1 116 . 1 1 206 206 GLU N N 15 0.9311 0.0089 . . . . . 7088 1 117 . 1 1 207 207 VAL N N 15 0.9566 0.0137 . . . . . 7088 1 118 . 1 1 208 208 ALA N N 15 0.9531 0.0110 . . . . . 7088 1 119 . 1 1 209 209 GLN N N 15 1.0820 0.0117 . . . . . 7088 1 120 . 1 1 210 210 GLY N N 15 0.8147 0.0165 . . . . . 7088 1 121 . 1 1 211 211 TYR N N 15 1.1571 0.0143 . . . . . 7088 1 122 . 1 1 212 212 GLU N N 15 0.9543 0.0118 . . . . . 7088 1 123 . 1 1 213 213 CYS N N 15 0.8496 0.0076 . . . . . 7088 1 124 . 1 1 214 214 GLY N N 15 0.8201 0.0159 . . . . . 7088 1 125 . 1 1 215 215 LEU N N 15 0.8467 0.0150 . . . . . 7088 1 126 . 1 1 216 216 THR N N 15 0.8610 0.0136 . . . . . 7088 1 127 . 1 1 217 217 ILE N N 15 0.9951 0.0335 . . . . . 7088 1 128 . 1 1 218 218 LYS N N 15 0.8676 0.0111 . . . . . 7088 1 129 . 1 1 219 219 ASN N N 15 0.9666 0.0166 . . . . . 7088 1 130 . 1 1 220 220 PHE N N 15 0.8976 0.0059 . . . . . 7088 1 131 . 1 1 222 222 ASP N N 15 1.0414 0.0170 . . . . . 7088 1 132 . 1 1 223 223 ILE N N 15 1.0256 0.0122 . . . . . 7088 1 133 . 1 1 224 224 LYS N N 15 0.9129 0.0132 . . . . . 7088 1 134 . 1 1 225 225 GLU N N 15 0.9579 0.0083 . . . . . 7088 1 135 . 1 1 226 226 GLY N N 15 0.8499 0.0181 . . . . . 7088 1 136 . 1 1 227 227 ASP N N 15 0.9103 0.0087 . . . . . 7088 1 137 . 1 1 228 228 VAL N N 15 0.8666 0.0137 . . . . . 7088 1 138 . 1 1 229 229 ILE N N 15 0.8587 0.0142 . . . . . 7088 1 139 . 1 1 231 231 ALA N N 15 0.8037 0.0123 . . . . . 7088 1 140 . 1 1 232 232 TYR N N 15 0.8516 0.0164 . . . . . 7088 1 141 . 1 1 235 235 GLN N N 15 0.9178 0.0143 . . . . . 7088 1 142 . 1 1 237 237 VAL N N 15 0.8078 0.0051 . . . . . 7088 1 143 . 1 1 238 238 ALA N N 15 0.7740 0.0022 . . . . . 7088 1 144 . 1 1 239 239 ARG N N 15 0.8958 0.0026 . . . . . 7088 1 145 . 1 1 240 240 ALA N N 15 1.1857 0.0025 . . . . . 7088 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_T2_list_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode T2_list_1 _Heteronucl_T2_list.Entry_ID 7088 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $conditions_1 _Heteronucl_T2_list.Temp_calibration_method . _Heteronucl_T2_list.Temp_control_method . _Heteronucl_T2_list.Spectrometer_frequency_1H 600.13 _Heteronucl_T2_list.T2_coherence_type 15N _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units none _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 7 R2-1H15N-CPMG 1 $sample_2 isotropic 7088 1 stop_ loop_ _Heteronucl_T2_software.Software_ID _Heteronucl_T2_software.Software_label _Heteronucl_T2_software.Method_ID _Heteronucl_T2_software.Method_label _Heteronucl_T2_software.Entry_ID _Heteronucl_T2_software.Heteronucl_T2_list_ID 4 $software_4 . . 7088 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 10 10 SER N N 15 0.0536 0.0012 . . . . . . . 7088 1 2 . 1 1 11 11 SER N N 15 0.0612 0.0026 . . . . . . . 7088 1 3 . 1 1 13 13 VAL N N 15 0.1542 0.0107 . . . . . . . 7088 1 4 . 1 1 16 16 GLN N N 15 0.1204 0.0085 . . . . . . . 7088 1 5 . 1 1 44 44 LEU N N 15 0.0681 0.0019 . . . . . . . 7088 1 6 . 1 1 45 45 ILE N N 15 0.0640 0.0025 . . . . . . . 7088 1 7 . 1 1 46 46 VAL N N 15 0.0643 0.0015 . . . . . . . 7088 1 8 . 1 1 47 47 LYS N N 15 0.0676 0.0016 . . . . . . . 7088 1 9 . 1 1 48 48 ALA N N 15 0.0702 0.0015 . . . . . . . 7088 1 10 . 1 1 49 49 ASP N N 15 0.0642 0.0013 . . . . . . . 7088 1 11 . 1 1 50 50 VAL N N 15 0.0644 0.0012 . . . . . . . 7088 1 12 . 1 1 51 51 GLN N N 15 0.0674 0.0018 . . . . . . . 7088 1 13 . 1 1 52 52 GLY N N 15 0.0621 0.0015 . . . . . . . 7088 1 14 . 1 1 54 54 VAL N N 15 0.0717 0.0014 . . . . . . . 7088 1 15 . 1 1 55 55 GLU N N 15 0.0575 0.0010 . . . . . . . 7088 1 16 . 1 1 58 58 VAL N N 15 0.0609 0.0009 . . . . . . . 7088 1 17 . 1 1 59 59 ALA N N 15 0.0588 0.0007 . . . . . . . 7088 1 18 . 1 1 60 60 ALA N N 15 0.0624 0.0008 . . . . . . . 7088 1 19 . 1 1 61 61 LEU N N 15 0.0577 0.0013 . . . . . . . 7088 1 20 . 1 1 62 62 GLN N N 15 0.0557 0.0012 . . . . . . . 7088 1 21 . 1 1 63 63 LYS N N 15 0.0612 0.0012 . . . . . . . 7088 1 22 . 1 1 64 64 ILE N N 15 0.0691 0.0017 . . . . . . . 7088 1 23 . 1 1 65 65 ASP N N 15 0.0663 0.0013 . . . . . . . 7088 1 24 . 1 1 73 73 ILE N N 15 0.0727 0.0013 . . . . . . . 7088 1 25 . 1 1 74 74 ILE N N 15 0.0635 0.0032 . . . . . . . 7088 1 26 . 1 1 77 77 ALA N N 15 0.0703 0.0015 . . . . . . . 7088 1 27 . 1 1 78 78 VAL N N 15 0.0694 0.0010 . . . . . . . 7088 1 28 . 1 1 79 79 GLY N N 15 0.0633 0.0016 . . . . . . . 7088 1 29 . 1 1 80 80 ALA N N 15 0.0687 0.0010 . . . . . . . 7088 1 30 . 1 1 81 81 ILE N N 15 0.0657 0.0022 . . . . . . . 7088 1 31 . 1 1 82 82 THR N N 15 0.0683 0.0021 . . . . . . . 7088 1 32 . 1 1 83 83 GLU N N 15 0.0692 0.0019 . . . . . . . 7088 1 33 . 1 1 84 84 SER N N 15 0.0685 0.0027 . . . . . . . 7088 1 34 . 1 1 85 85 ASP N N 15 0.0658 0.0012 . . . . . . . 7088 1 35 . 1 1 87 87 SER N N 15 0.0627 0.0038 . . . . . . . 7088 1 36 . 1 1 88 88 LEU N N 15 0.0572 0.0014 . . . . . . . 7088 1 37 . 1 1 89 89 ALA N N 15 0.0672 0.0013 . . . . . . . 7088 1 38 . 1 1 90 90 THR N N 15 0.0627 0.0015 . . . . . . . 7088 1 39 . 1 1 91 91 ALA N N 15 0.0682 0.0034 . . . . . . . 7088 1 40 . 1 1 92 92 SER N N 15 0.0672 0.0048 . . . . . . . 7088 1 41 . 1 1 97 97 ILE N N 15 0.0677 0.0018 . . . . . . . 7088 1 42 . 1 1 98 98 GLY N N 15 0.0722 0.0029 . . . . . . . 7088 1 43 . 1 1 100 100 ASN N N 15 0.0636 0.0024 . . . . . . . 7088 1 44 . 1 1 101 101 VAL N N 15 0.0658 0.0009 . . . . . . . 7088 1 45 . 1 1 102 102 ARG N N 15 0.0596 0.0019 . . . . . . . 7088 1 46 . 1 1 106 106 ASN N N 15 0.0656 0.0007 . . . . . . . 7088 1 47 . 1 1 107 107 ALA N N 15 0.0604 0.0010 . . . . . . . 7088 1 48 . 1 1 108 108 LYS N N 15 0.0626 0.0015 . . . . . . . 7088 1 49 . 1 1 109 109 ARG N N 15 0.0655 0.0008 . . . . . . . 7088 1 50 . 1 1 110 110 ALA N N 15 0.0686 0.0010 . . . . . . . 7088 1 51 . 1 1 111 111 ALA N N 15 0.0591 0.0010 . . . . . . . 7088 1 52 . 1 1 112 112 GLU N N 15 0.0626 0.0014 . . . . . . . 7088 1 53 . 1 1 113 113 SER N N 15 0.0675 0.0011 . . . . . . . 7088 1 54 . 1 1 114 114 GLU N N 15 0.0637 0.0017 . . . . . . . 7088 1 55 . 1 1 118 118 ILE N N 15 0.0733 0.0018 . . . . . . . 7088 1 56 . 1 1 119 119 ARG N N 15 0.0670 0.0024 . . . . . . . 7088 1 57 . 1 1 124 124 ILE N N 15 0.0638 0.0019 . . . . . . . 7088 1 58 . 1 1 126 126 ASN N N 15 0.0592 0.0010 . . . . . . . 7088 1 59 . 1 1 127 127 VAL N N 15 0.0649 0.0017 . . . . . . . 7088 1 60 . 1 1 146 146 VAL N N 15 0.0587 0.0015 . . . . . . . 7088 1 61 . 1 1 147 147 ILE N N 15 0.0610 0.0044 . . . . . . . 7088 1 62 . 1 1 148 148 GLY N N 15 0.0583 0.0016 . . . . . . . 7088 1 63 . 1 1 149 149 GLN N N 15 0.0618 0.0013 . . . . . . . 7088 1 64 . 1 1 150 150 ALA N N 15 0.0603 0.0016 . . . . . . . 7088 1 65 . 1 1 151 151 GLU N N 15 0.0686 0.0015 . . . . . . . 7088 1 66 . 1 1 152 152 VAL N N 15 0.0657 0.0019 . . . . . . . 7088 1 67 . 1 1 153 153 ARG N N 15 0.0612 0.0025 . . . . . . . 7088 1 68 . 1 1 154 154 GLN N N 15 0.0666 0.0010 . . . . . . . 7088 1 69 . 1 1 155 155 THR N N 15 0.0731 0.0011 . . . . . . . 7088 1 70 . 1 1 156 156 PHE N N 15 0.0572 0.0013 . . . . . . . 7088 1 71 . 1 1 157 157 LYS N N 15 0.0681 0.0010 . . . . . . . 7088 1 72 . 1 1 158 158 VAL N N 15 0.0713 0.0012 . . . . . . . 7088 1 73 . 1 1 161 161 VAL N N 15 0.0792 0.0011 . . . . . . . 7088 1 74 . 1 1 162 162 GLY N N 15 0.0801 0.0010 . . . . . . . 7088 1 75 . 1 1 163 163 THR N N 15 0.0668 0.0012 . . . . . . . 7088 1 76 . 1 1 164 164 ILE N N 15 0.0611 0.0012 . . . . . . . 7088 1 77 . 1 1 165 165 ALA N N 15 0.0565 0.0018 . . . . . . . 7088 1 78 . 1 1 166 166 GLY N N 15 0.0670 0.0020 . . . . . . . 7088 1 79 . 1 1 167 167 CYS N N 15 0.0689 0.0019 . . . . . . . 7088 1 80 . 1 1 168 168 TYR N N 15 0.0664 0.0015 . . . . . . . 7088 1 81 . 1 1 169 169 VAL N N 15 0.0597 0.0018 . . . . . . . 7088 1 82 . 1 1 170 170 THR N N 15 0.0647 0.0024 . . . . . . . 7088 1 83 . 1 1 171 171 ASP N N 15 0.0614 0.0008 . . . . . . . 7088 1 84 . 1 1 172 172 GLY N N 15 0.0766 0.0015 . . . . . . . 7088 1 85 . 1 1 173 173 LYS N N 15 0.0554 0.0026 . . . . . . . 7088 1 86 . 1 1 174 174 ILE N N 15 0.0597 0.0016 . . . . . . . 7088 1 87 . 1 1 175 175 THR N N 15 0.0597 0.0016 . . . . . . . 7088 1 88 . 1 1 176 176 ARG N N 15 0.0682 0.0014 . . . . . . . 7088 1 89 . 1 1 177 177 ASP N N 15 0.0710 0.0012 . . . . . . . 7088 1 90 . 1 1 178 178 SER N N 15 0.0656 0.0008 . . . . . . . 7088 1 91 . 1 1 179 179 LYS N N 15 0.0680 0.0017 . . . . . . . 7088 1 92 . 1 1 180 180 VAL N N 15 0.0672 0.0017 . . . . . . . 7088 1 93 . 1 1 181 181 ARG N N 15 0.0689 0.0025 . . . . . . . 7088 1 94 . 1 1 182 182 LEU N N 15 0.0654 0.0017 . . . . . . . 7088 1 95 . 1 1 183 183 ILE N N 15 0.0676 0.0021 . . . . . . . 7088 1 96 . 1 1 184 184 ARG N N 15 0.0563 0.0019 . . . . . . . 7088 1 97 . 1 1 185 185 GLN N N 15 0.0658 0.0018 . . . . . . . 7088 1 98 . 1 1 186 186 GLY N N 15 0.0639 0.0015 . . . . . . . 7088 1 99 . 1 1 187 187 ILE N N 15 0.0544 0.0009 . . . . . . . 7088 1 100 . 1 1 188 188 VAL N N 15 0.0627 0.0020 . . . . . . . 7088 1 101 . 1 1 190 190 TYR N N 15 0.0714 0.0011 . . . . . . . 7088 1 102 . 1 1 191 191 GLU N N 15 0.0743 0.0011 . . . . . . . 7088 1 103 . 1 1 192 192 GLY N N 15 0.0714 0.0012 . . . . . . . 7088 1 104 . 1 1 193 193 GLU N N 15 0.0708 0.0014 . . . . . . . 7088 1 105 . 1 1 194 194 ILE N N 15 0.0667 0.0018 . . . . . . . 7088 1 106 . 1 1 195 195 ASP N N 15 0.0689 0.0024 . . . . . . . 7088 1 107 . 1 1 196 196 SER N N 15 0.0909 0.0014 . . . . . . . 7088 1 108 . 1 1 197 197 LEU N N 15 0.0845 0.0015 . . . . . . . 7088 1 109 . 1 1 198 198 LYS N N 15 0.0737 0.0025 . . . . . . . 7088 1 110 . 1 1 199 199 ARG N N 15 0.0683 0.0011 . . . . . . . 7088 1 111 . 1 1 200 200 TYR N N 15 0.0750 0.0021 . . . . . . . 7088 1 112 . 1 1 201 201 LYS N N 15 0.0686 0.0010 . . . . . . . 7088 1 113 . 1 1 202 202 ASP N N 15 0.0780 0.0009 . . . . . . . 7088 1 114 . 1 1 203 203 ASP N N 15 0.0743 0.0011 . . . . . . . 7088 1 115 . 1 1 204 204 VAL N N 15 0.0707 0.0014 . . . . . . . 7088 1 116 . 1 1 206 206 GLU N N 15 0.0643 0.0010 . . . . . . . 7088 1 117 . 1 1 207 207 VAL N N 15 0.0579 0.0013 . . . . . . . 7088 1 118 . 1 1 208 208 ALA N N 15 0.0663 0.0012 . . . . . . . 7088 1 119 . 1 1 209 209 GLN N N 15 0.0614 0.0010 . . . . . . . 7088 1 120 . 1 1 210 210 GLY N N 15 0.0639 0.0021 . . . . . . . 7088 1 121 . 1 1 211 211 TYR N N 15 0.0633 0.0026 . . . . . . . 7088 1 122 . 1 1 212 212 GLU N N 15 0.0676 0.0013 . . . . . . . 7088 1 123 . 1 1 213 213 CYS N N 15 0.0664 0.0009 . . . . . . . 7088 1 124 . 1 1 214 214 GLY N N 15 0.0694 0.0021 . . . . . . . 7088 1 125 . 1 1 215 215 LEU N N 15 0.0694 0.0020 . . . . . . . 7088 1 126 . 1 1 216 216 THR N N 15 0.0664 0.0019 . . . . . . . 7088 1 127 . 1 1 217 217 ILE N N 15 0.0624 0.0025 . . . . . . . 7088 1 128 . 1 1 218 218 LYS N N 15 0.0667 0.0014 . . . . . . . 7088 1 129 . 1 1 219 219 ASN N N 15 0.0662 0.0017 . . . . . . . 7088 1 130 . 1 1 220 220 PHE N N 15 0.0701 0.0007 . . . . . . . 7088 1 131 . 1 1 222 222 ASP N N 15 0.0556 0.0012 . . . . . . . 7088 1 132 . 1 1 223 223 ILE N N 15 0.0665 0.0011 . . . . . . . 7088 1 133 . 1 1 224 224 LYS N N 15 0.0620 0.0015 . . . . . . . 7088 1 134 . 1 1 225 225 GLU N N 15 0.0644 0.0008 . . . . . . . 7088 1 135 . 1 1 226 226 GLY N N 15 0.0678 0.0024 . . . . . . . 7088 1 136 . 1 1 227 227 ASP N N 15 0.0641 0.0010 . . . . . . . 7088 1 137 . 1 1 228 228 VAL N N 15 0.0671 0.0017 . . . . . . . 7088 1 138 . 1 1 229 229 ILE N N 15 0.0649 0.0017 . . . . . . . 7088 1 139 . 1 1 231 231 ALA N N 15 0.0637 0.0016 . . . . . . . 7088 1 140 . 1 1 232 232 TYR N N 15 0.0607 0.0019 . . . . . . . 7088 1 141 . 1 1 235 235 GLN N N 15 0.0633 0.0016 . . . . . . . 7088 1 142 . 1 1 237 237 VAL N N 15 0.1021 0.0010 . . . . . . . 7088 1 143 . 1 1 238 238 ALA N N 15 0.1588 0.0008 . . . . . . . 7088 1 144 . 1 1 239 239 ARG N N 15 0.2405 0.0014 . . . . . . . 7088 1 145 . 1 1 240 240 ALA N N 15 0.5261 0.0032 . . . . . . . 7088 1 stop_ save_