Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype |
|
|
632569 | 6es7 RC | 34189 | cing | 2-parsed | STAR | entry | full |
data_6es7_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6es7
_Study_list.ID 1
loop_
_Study.ID
_Study.Name
_Study.Type
_Study.Details
_Study.Entry_ID
_Study.Study_list_ID
1 "Conversion project" NMR . parsed_6es7 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6es7
_Entry.Title "Original constraint list(s)"
_Entry.Version_type original
_Entry.Submission_date .
_Entry.Accession_date .
_Entry.Last_release_date .
_Entry.Original_release_date .
_Entry.Origination .
_Entry.NMR_STAR_version 3.1
_Entry.Original_NMR_STAR_version .
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype .
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 6es7 "Master copy" parsed_6es7
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6es7
_Constraint_stat_list.ID 1
loop_
_Constraint_file.ID
_Constraint_file.Constraint_filename
_Constraint_file.Software_ID
_Constraint_file.Software_label
_Constraint_file.Software_name
_Constraint_file.Block_ID
_Constraint_file.Constraint_type
_Constraint_file.Constraint_subtype
_Constraint_file.Constraint_subsubtype
_Constraint_file.Constraint_number
_Constraint_file.Entry_ID
_Constraint_file.Constraint_stat_list_ID
1 6es7.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6es7 1
1 6es7.mr . . DYANA/DIANA 2 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_6es7 1
1 6es7.mr . . DYANA/DIANA 3 distance NOE simple 0 parsed_6es7 1
1 6es7.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6es7 1
stop_
save_
save_MR_file_comment_1
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_6es7
_Org_constr_file_comment.ID 1
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 1
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
*HEADER DNA BINDING PROTEIN 19-OCT-17 6ES7
*TITLE STRUCTURE AND DYNAMICS CONSPIRE IN THE EVOLUTION OF AFFINITY BETWEEN
*TITLE 2 INTRINSICALLY DISORDERED PROTEINS
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: NUCLEAR RECEPTOR COACTIVATOR 3;
*COMPND 3 CHAIN: A;
*COMPND 4 SYNONYM: NCOA-3,ACTR,AMPLIFIED IN BREAST CANCER 1 PROTEIN,AIB-1,CBP-
*COMPND 5 INTERACTING PROTEIN,PCIP,CLASS E BASIC HELIX-LOOP-HELIX PROTEIN 42,
*COMPND 6 BHLHE42,RECEPTOR-ASSOCIATED COACTIVATOR 3,RAC-3,STEROID RECEPTOR
*COMPND 7 COACTIVATOR PROTEIN 3,SRC-3,THYROID HORMONE RECEPTOR ACTIVATOR
*COMPND 8 MOLECULE 1,TRAM-1;
*COMPND 9 EC: 2.3.1.48;
*COMPND 10 ENGINEERED: YES;
*COMPND 11 MOL_ID: 2;
*COMPND 12 MOLECULE: CREB-BINDING PROTEIN;
*COMPND 13 CHAIN: B;
*COMPND 14 EC: 2.3.1.48;
*COMPND 15 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
*SOURCE 3 ORGANISM_COMMON: HUMAN;
*SOURCE 4 ORGANISM_TAXID: 9606;
*SOURCE 5 GENE: NCOA3, AIB1, BHLHE42, RAC3, TRAM1;
*SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562;
*SOURCE 8 MOL_ID: 2;
*SOURCE 9 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
*SOURCE 10 ORGANISM_COMMON: HUMAN;
*SOURCE 11 ORGANISM_TAXID: 9606;
*SOURCE 12 GENE: CREBBP, CBP;
*SOURCE 13 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE 14 EXPRESSION_SYSTEM_TAXID: 562
*KEYWDS COMPLEX, IDP, CID, NCBD, DNA BINDING PROTEIN
*EXPDTA SOLUTION NMR
*NUMMDL 20
*AUTHOR N.C.CHI
*REVDAT 1 31-OCT-18 6ES7 0
;
save_
save_DYANA/DIANA_dipolar_coupling_2
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_6es7
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 2
_RDC_constraint_list.Details "Generated by Wattos"
loop_
_RDC_constraint_comment_org.ID
_RDC_constraint_comment_org.Comment_text
_RDC_constraint_comment_org.Comment_begin_line
_RDC_constraint_comment_org.Comment_begin_column
_RDC_constraint_comment_org.Comment_end_line
_RDC_constraint_comment_org.Comment_end_column
_RDC_constraint_comment_org.Entry_ID
_RDC_constraint_comment_org.RDC_constraint_list_ID
1 "Restraints file 1: AB.rdc" 1 1 1 27 parsed_6es7 1
2 "Tensor Magnitude Rhombicity Residue" 2 1 2 37 parsed_6es7 1
stop_
loop_
_RDC_constraint_parse_err.ID
_RDC_constraint_parse_err.Content
_RDC_constraint_parse_err.Begin_line
_RDC_constraint_parse_err.Begin_column
_RDC_constraint_parse_err.End_line
_RDC_constraint_parse_err.End_column
_RDC_constraint_parse_err.Entry_ID
_RDC_constraint_parse_err.RDC_constraint_list_ID
1 "1 -5.0000 0.2680 L6" 3 7 3 38 parsed_6es7 1
2
;
2 8.2300 0.6080 L11
#First atom Second atom RDC Error Weight Tensor Scale
A2 SER N A2 SER H 0.906 0.500 1.00E+00 1 1.0000
A3 GLU N A3 GLU H -1.830 0.500 1.00E+00 1 1.0000
A4 GLY N A4 GLY H -0.799 0.500 1.00E+00 1 1.0000
A5 GLN N A5 GLN H 0.160 0.500 1.00E+00 1 1.0000
A6 SER N A6 SER H 1.100 0.500 1.00E+00 1 1.0000
A7 ASP N A7 ASP H -0.380 0.500 1.00E+00 1 1.0000
A9 ARG N A9 ARG H -0.570 0.500 1.00E+00 1 1.0000
A10 ALA N A10 ALA H -0.095 0.500 1.00E+00 1 1.0000
A13 ASP N A13 ASP H 1.930 0.500 1.00E+00 1 1.0000
A14 GLN N A14 GLN H -0.196 0.500 1.00E+00 1 1.0000
A15 LEU N A15 LEU H -1.181 0.500 1.00E+00 1 1.0000
A16 HIS N A16 HIS H -0.599 0.500 1.00E+00 1 1.0000
A17 THR N A17 THR H -1.186 0.500 1.00E+00 1 1.0000
A18 LEU N A18 LEU H -1.033 0.500 1.00E+00 1 1.0000
A19 LEU N A19 LEU H -1.934 0.500 1.00E+00 1 1.0000
A20 SER N A20 SER H -1.230 0.500 1.00E+00 1 1.0000
A21 ASN N A21 ASN H 1.712 0.500 1.00E+00 1 1.0000
A22 THR N A22 THR H 11.135 0.500 1.00E+00 1 1.0000
A23 ASP N A23 ASP H -1.059 0.500 1.00E+00 1 1.0000
A24 ALA N A24 ALA H 4.741 0.500 1.00E+00 1 1.0000
A25 THR N A25 THR H 0.112 0.500 1.00E+00 1 1.0000
A26 GLY N A26 GLY H -0.636 0.500 1.00E+00 1 1.0000
A27 LEU N A27 LEU H 0.068 0.500 1.00E+00 1 1.0000
A28 GLU N A28 GLU H 9.521 0.500 1.00E+00 1 1.0000
A29 GLU N A29 GLU H 0.158 0.500 1.00E+00 1 1.0000
A30 ILE N A30 ILE H -0.701 0.500 1.00E+00 1 1.0000
A31 ASP N A31 ASP H 0.642 0.500 1.00E+00 1 1.0000
A32 ARG N A32 ARG H -1.014 0.500 1.00E+00 1 1.0000
A33 ALA N A33 ALA H 1.553 0.500 1.00E+00 1 1.0000
A34 LEU N A34 LEU H -1.516 0.500 1.00E+00 1 1.0000
A35 GLY N A35 GLY H -0.079 0.500 1.00E+00 1 1.0000
A38 GLU N A38 GLU H 0.366 0.500 1.00E+00 1 1.0000
A39 LEU N A39 LEU H -0.700 0.500 1.00E+00 1 1.0000
A40 VAL N A40 VAL H -1.497 0.500 1.00E+00 1 1.0000
A41 ASN N A41 ASN H 0.689 0.500 1.00E+00 1 1.0000
A42 GLN N A42 GLN H 0.081 0.500 1.00E+00 1 1.0000
A43 GLY N A43 GLY H 0.042 0.500 1.00E+00 1 1.0000
A44 GLN N A44 GLN H 0.157 0.500 1.00E+00 1 1.0000
B3 ILE N B3 ILE H 3.842 0.500 1.00E+00 2 1.0000
B4 SER N B4 SER H 10.543 0.500 1.00E+00 2 1.0000
B6 SER N B6 SER H -6.429 0.500 1.00E+00 2 1.0000
B7 ALA N B7 ALA H -4.325 0.500 1.00E+00 2 1.0000
B8 LEU N B8 LEU H -3.883 0.500 1.00E+00 2 1.0000
B9 GLN N B9 GLN H -7.539 0.500 1.00E+00 2 1.0000
B10 ASP N B10 ASP H -6.282 0.500 1.00E+00 2 1.0000
B11 LEU N B11 LEU H -4.208 0.500 1.00E+00 2 1.0000
B12 LEU N B12 LEU H -4.074 0.500 1.00E+00 2 1.0000
B13 ARG N B13 ARG H -6.922 0.500 1.00E+00 2 1.0000
B14 THR N B14 THR H -5.439 0.500 1.00E+00 2 1.0000
B15 LEU N B15 LEU H -2.332 0.500 1.00E+00 2 1.0000
B16 LYS N B16 LYS H -8.222 0.500 1.00E+00 2 1.0000
B17 SER N B17 SER H -3.664 0.500 1.00E+00 2 1.0000
B19 SER N B19 SER H 1.905 0.500 1.00E+00 2 1.0000
B20 SER N B20 SER H -2.925 0.500 1.00E+00 2 1.0000
B22 GLN N B22 GLN H -3.668 0.500 1.00E+00 2 1.0000
B23 GLN N B23 GLN H -7.295 0.500 1.00E+00 2 1.0000
B24 GLN N B24 GLN H -5.250 0.500 1.00E+00 2 1.0000
B25 GLN N B25 GLN H -3.321 0.500 1.00E+00 2 1.0000
B26 GLN N B26 GLN H -3.906 0.500 1.00E+00 2 1.0000
B27 VAL N B27 VAL H -3.887 0.500 1.00E+00 2 1.0000
B28 LEU N B28 LEU H -2.933 0.500 1.00E+00 2 1.0000
B29 ASN N B29 ASN H -3.252 0.500 1.00E+00 2 1.0000
B30 ILE N B30 ILE H -6.539 0.500 1.00E+00 2 1.0000
B31 LEU N B31 LEU H -4.609 0.500 1.00E+00 2 1.0000
B32 LYS N B32 LYS H -3.801 0.500 1.00E+00 2 1.0000
B33 SER N B33 SER H -1.162 0.500 1.00E+00 2 1.0000
B34 ASN N B34 ASN H -5.957 0.500 1.00E+00 2 1.0000
B37 LEU N B37 LEU H -6.012 0.500 1.00E+00 2 1.0000
B38 MET N B38 MET H -11.626 0.500 1.00E+00 2 1.0000
B39 ALA N B39 ALA H -9.925 0.500 1.00E+00 2 1.0000
B40 ALA N B40 ALA H -9.652 0.500 1.00E+00 2 1.0000
B41 PHE N B41 PHE H -8.074 0.500 1.00E+00 2 1.0000
B42 ILE N B42 ILE H -9.220 0.500 1.00E+00 2 1.0000
B44 GLN N B44 GLN H -10.884 0.500 1.00E+00 2 1.0000
B46 THR N B46 THR H -9.004 0.500 1.00E+00 2 1.0000
B47 ALA N B47 ALA H -4.732 0.500 1.00E+00 2 1.0000
B48 LYS N B48 LYS H -6.953 0.500 1.00E+00 2 1.0000
B49 TYR N B49 TYR H -5.815 0.500 1.00E+00 2 1.0000
B50 VAL N B50 VAL H 4.045 0.500 1.00E+00 2 1.0000
;
4 7 84 73 parsed_6es7 1
stop_
save_
save_DYANA/DIANA_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6es7
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 3
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1 "Restraints file 2: AB.upl" 1 1 1 27 parsed_6es7 1
stop_
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1
;
A11 LEU H A12 LEU H 3.63 #peak 30
A10 ALA H A12 LEU H 4.67 #peak 32
A6 SER H A7 ASP H 3.38 #peak 33
A43 GLY H A44 GLN H 4.33 #peak 42
A17 THR H A18 LEU H 3.33 #peak 44
A19 LEU H A20 SER H 3.69 #peak 53
A25 THR H A26 GLY H 4.30 #peak 54
A24 ALA H A25 THR H 4.14 #peak 55
A27 LEU H A29 GLU H 3.80 #peak 75
A31 ASP H A32 ARG H 3.94 #peak 105
A35 GLY H A36 ILE H 3.55 #peak 108
A22 THR H A23 ASP H 4.86 #peak 110
A18 LEU H A19 LEU H 3.99 #peak 134
A12 LEU H A14 GLN HE21 5.01 #peak 149
A18 LEU H A20 SER H 4.60 #peak 186
A26 GLY H A27 LEU H 4.30 #peak 194
A39 LEU H A40 VAL H 3.44 #peak 199
A40 VAL H A41 ASN H 3.91 #peak 200
A30 ILE H A31 ASP H 3.80 #peak 216
A29 GLU H A30 ILE H 3.84 #peak 225
A30 ILE H A32 ARG H 4.86 #peak 226
A21 ASN H A22 THR H 4.53 #peak 271
A20 SER H A21 ASN H 3.76 #peak 272
A22 THR H A22 THR HB 3.66 #peak 356
A22 THR HB A23 ASP H 3.42 #peak 362
A25 THR H A25 THR HB 4.07 #peak 366
A25 THR HB A26 GLY H 4.47 #peak 372
A41 ASN HA A42 GLN H 3.43 #peak 378
A27 LEU HA A30 ILE H 4.76 #peak 396
A2 SER H A2 SER QB 3.20 #peak 411
A17 THR HB A19 LEU H 5.26 #peak 415
A25 THR HA A27 LEU H 4.42 #peak 422
A17 THR H A17 THR HB 3.36 #peak 424
A29 GLU HA A32 ARG H 4.10 #peak 444
A4 GLY QA A5 GLN H 3.50 #peak 458
A40 VAL HA A42 GLN H 4.60 #peak 459
A32 ARG HA A34 LEU H 4.39 #peak 470
A6 SER H A6 SER QB 4.01 #peak 477
A36 ILE HA A39 LEU H 4.27 #peak 479
A20 SER H A20 SER HB2 4.12 #peak 481
A30 ILE HA A33 ALA H 4.24 #peak 486
A30 ILE HA A32 ARG H 4.99 #peak 489
A36 ILE H A37 PRO HD2 4.17 #peak 490
A35 GLY H A37 PRO HD2 4.71 #peak 491
A15 LEU H A16 HIS QB 4.96 #peak 492
A16 HIS QB A17 THR H 3.59 #peak 494
A36 ILE H A37 PRO HD3 4.21 #peak 497
A32 ARG H A32 ARG QD 3.86 #peak 499
A31 ASP H A31 ASP HB3 4.08 #peak 500
A21 ASN H A21 ASN HB2 4.02 #peak 503
A7 ASP H A7 ASP HB2 3.15 #peak 506
A21 ASN H A21 ASN HB3 4.02 #peak 508
A41 ASN H A41 ASN HB2 3.89 #peak 511
A7 ASP HB2 A9 ARG H 5.20 #peak 516
A23 ASP H A23 ASP QB 3.41 #peak 521
A38 GLU H A38 GLU HG2 3.57 #peak 526
A31 ASP H A31 ASP HB2 4.08 #peak 535
A29 GLU H A29 GLU QG 3.60 #peak 537
A38 GLU H A38 GLU HB2 3.51 #peak 544
A44 GLN H A44 GLN QG 4.46 #peak 547
A38 GLU H A38 GLU HB3 3.51 #peak 556
A30 ILE HB A31 ASP H 3.92 #peak 557
A28 GLU H A28 GLU QG 4.56 #peak 559
A30 ILE H A30 ILE HB 3.54 #peak 561
A5 GLN H A5 GLN HB2 3.63 #peak 562
A5 GLN HB2 A6 SER H 4.89 #peak 565
A40 VAL HB A41 ASN H 4.10 #peak 568
A40 VAL H A40 VAL HB 3.94 #peak 570
A14 GLN H A14 GLN QB 3.11 #peak 571
A28 GLU H A28 GLU QB 4.00 #peak 577
A44 GLN H A44 GLN QB 3.89 #peak 582
A9 ARG HB3 A10 ALA H 3.29 #peak 583
A9 ARG H A9 ARG HB3 2.95 #peak 584
A32 ARG QB A33 ALA H 3.53 #peak 586
A13 ASP H A13 ASP HB2 3.79 #peak 589
A32 ARG H A32 ARG QB 3.17 #peak 590
A16 HIS H A19 LEU QB 4.85 #peak 593
A34 LEU H A34 LEU QB 3.33 #peak 596
A34 LEU QB A35 GLY H 4.07 #peak 597
A19 LEU H A19 LEU QB 3.34 #peak 598
A19 LEU QB A20 SER H 4.04 #peak 599
A39 LEU H A39 LEU QB 3.28 #peak 600
A11 LEU H A11 LEU QB 3.21 #peak 602
A39 LEU QB A40 VAL H 4.35 #peak 603
A27 LEU H A27 LEU QB 3.64 #peak 605
A30 ILE H A30 ILE QG1 3.87 #peak 606
A30 ILE QG1 A31 ASP H 4.36 #peak 611
A29 GLU H A30 ILE QG1 4.87 #peak 613
A27 LEU QB A28 GLU H 4.60 #peak 614
A12 LEU H A12 LEU HG 4.11 #peak 616
A32 ARG H A32 ARG QG 4.00 #peak 618
A39 LEU HG A40 VAL H 4.50 #peak 620
A34 LEU HG A35 GLY H 4.15 #peak 621
A34 LEU H A34 LEU HG 3.45 #peak 623
A33 ALA H A33 ALA QB 3.18 #peak 625
A10 ALA H A10 ALA QB 2.96 #peak 629
A11 LEU H A11 LEU HG 3.49 #peak 630
A15 LEU H A15 LEU HG 3.44 #peak 633
A9 ARG H A10 ALA QB 4.35 #peak 635
A15 LEU HG A16 HIS H 3.94 #peak 636
A13 ASP H A13 ASP HB3 3.79 #peak 638
A25 THR QG2 A26 GLY H 4.70 #peak 644
A36 ILE H A36 ILE QG1 3.92 #peak 651
A35 GLY H A36 ILE QG1 5.06 #peak 656
A19 LEU H A19 LEU HG 4.31 #peak 657
A30 ILE H A30 ILE QG2 4.21 #peak 658
A27 LEU H A27 LEU QQD 4.13 #peak 663
A19 LEU QD1 A20 SER H 4.88 #peak 664
A18 LEU H A18 LEU QQD 3.88 #peak 666
A30 ILE H A30 ILE QD1 4.03 #peak 667
A12 LEU H A12 LEU QQD 4.79 #peak 668
A12 LEU QQD A17 THR H 5.50 #peak 673
A17 THR H A18 LEU QQD 5.50 #peak 673
A19 LEU H A19 LEU QD1 4.17 #peak 675
A12 LEU QQD A14 GLN H 5.31 #peak 676
A14 GLN H A15 LEU QQD 5.50 #peak 676
A10 ALA H A12 LEU QQD 5.50 #peak 677
A15 LEU H A15 LEU QQD 3.30 #peak 678
A39 LEU H A39 LEU QQD 3.86 #peak 679
A12 LEU QQD A13 ASP H 3.60 #peak 680
A11 LEU H A11 LEU QD1 4.33 #peak 682
A11 LEU H A11 LEU QD2 4.33 #peak 682
A9 ARG H A12 LEU QQD 4.72 #peak 683
A12 LEU QQD A16 HIS H 3.86 #peak 684
A33 ALA H A34 LEU QQD 4.37 #peak 690
A31 ASP H A34 LEU QQD 4.04 #peak 691
A32 ARG H A34 LEU QQD 4.89 #peak 692
A34 LEU H A34 LEU QQD 3.64 #peak 694
A34 LEU QQD A35 GLY H 4.35 #peak 695
A19 LEU H A19 LEU QD2 4.17 #peak 696
A19 LEU QD2 A20 SER H 4.88 #peak 697
A19 LEU HG A20 SER H 4.61 #peak 700
A30 ILE H A34 LEU QQD 5.18 #peak 705
A39 LEU H A39 LEU HG 3.81 #peak 709
A38 GLU H A38 GLU HG3 3.57 #peak 712
A39 LEU HA A41 ASN H 4.57 #peak 714
A39 LEU QB A42 GLN H 5.13 #peak 717
A5 GLN H A5 GLN HB3 3.63 #peak 718
A29 GLU H A30 ILE QD1 5.20 #peak 721
A16 HIS H A16 HIS HD2 5.26 #peak 727
A16 HIS H A16 HIS QB 3.18 #peak 730
A5 GLN HB3 A6 SER H 4.89 #peak 731
A30 ILE QD1 A31 ASP H 4.65 #peak 734
A3 GLU H A4 GLY QA 5.37 #peak 740
A3 GLU H A3 GLU QG 5.42 #peak 741
A36 ILE H A39 LEU QQD 3.63 #peak 755
A41 ASN H A41 ASN HB3 3.89 #peak 756
A16 HIS H A18 LEU H 4.78 #peak 760
A23 ASP QB A25 THR H 5.19 #peak 766
A24 ALA H A24 ALA QB 3.52 #peak 3
A24 ALA QB A25 THR H 3.84 #peak 4
A40 VAL HA A40 VAL QQG 3.39 #peak 19
A29 GLU HA A29 GLU QG 3.26 #peak 45
A20 SER H A20 SER HB3 4.12 #peak 76
A17 THR QG2 A18 LEU H 3.85 #peak 90
A17 THR H A17 THR QG2 3.73 #peak 91
A17 THR HA A17 THR QG2 3.58 #peak 95
A25 THR H A25 THR QG2 3.46 #peak 97
A25 THR HA A25 THR QG2 2.90 #peak 99
A22 THR H A22 THR QG2 3.83 #peak 101
A22 THR HA A22 THR QG2 3.02 #peak 104
A25 THR QG2 A26 GLY QA 5.08 #peak 105
A40 VAL H A40 VAL QQG 3.50 #peak 109
A30 ILE QG2 A30 ILE QD1 3.22 #peak 130
A30 ILE HB A30 ILE QD1 3.50 #peak 132
A30 ILE HA A30 ILE QD1 4.14 #peak 133
A36 ILE QG2 A36 ILE QD1 3.44 #peak 145
A36 ILE HB A36 ILE QD1 3.38 #peak 147
A36 ILE HA A36 ILE QD1 3.93 #peak 148
A36 ILE H A36 ILE QD1 4.46 #peak 151
A7 ASP HB2 A10 ALA QB 5.24 #peak 156
A30 ILE HA A33 ALA QB 3.86 #peak 161
A7 ASP HB2 A8 GLU HA 4.23 #peak 187
A7 ASP HB3 A8 GLU HA 4.67 #peak 188
A7 ASP HB3 A10 ALA H 5.50 #peak 192
A7 ASP H A7 ASP HB3 4.14 #peak 194
A40 VAL H A41 ASN HB3 4.86 #peak 262
A40 VAL H A41 ASN HB2 4.86 #peak 263
A23 ASP QB A24 ALA H 4.32 #peak 284
A18 LEU HB2 A19 LEU H 4.59 #peak 289
A18 LEU HB3 A19 LEU H 4.59 #peak 290
A18 LEU HB2 A18 LEU QQD 3.83 #peak 291
A18 LEU HB3 A18 LEU QQD 3.83 #peak 292
A5 GLN H A5 GLN QB 3.10 #peak 562
A5 GLN H A5 GLN QG 3.70 #peak 536
A5 GLN H A5 GLN QE2 3.79 #peak 188
A5 GLN H A8 GLU QB 4.26 #peak 601
A5 GLN QB A6 SER H 4.31 #peak 565
A7 ASP H A8 GLU QG 4.44 #peak 543
A9 ARG H A9 ARG QG 3.50 #peak 612
A9 ARG H A9 ARG QD 4.60 #peak 498
A9 ARG QG A10 ALA H 3.75 #peak 608
A9 ARG QG A13 ASP H 3.62 #peak 610
A9 ARG QD A10 ALA H 5.09 #peak 708
A10 ALA H A11 LEU QQD 5.44 #peak 677
A11 LEU H A11 LEU QQD 3.65 #peak 682
A12 LEU H A15 LEU QB 4.98 #peak 748
A12 LEU QQD A13 ASP QB 3.67 #peak 236
A13 ASP H A13 ASP QB 3.22 #peak 589
A14 GLN H A14 GLN QG 3.64 #peak 522
A15 LEU H A15 LEU QB 3.22 #peak 550
A15 LEU HA A18 LEU QB 4.38 #peak 300
A15 LEU QB A16 HIS H 3.71 #peak 551
A17 THR H A18 LEU QB 4.62 #peak 594
A18 LEU H A18 LEU QB 3.10 #peak 604
A20 SER H A20 SER QB 3.37 #peak 481
A21 ASN H A21 ASN QB 3.49 #peak 508
A29 GLU H A29 GLU QB 3.25 #peak 569
A31 ASP H A31 ASP QB 3.55 #peak 500
A31 ASP QB A32 ARG H 3.88 #peak 538
A38 GLU H A38 GLU QB 2.92 #peak 544
A38 GLU H A38 GLU QG 3.07 #peak 526
A41 ASN H A41 ASN QB 3.40 #peak 511
A41 ASN QB A42 GLN H 4.31 #peak 510
A42 GLN H A42 GLN QB 3.37 #peak 573
A42 GLN H A42 GLN QG 3.85 #peak 532
A42 GLN QG A43 GLY H 4.86 #peak 534
B10 ASP H B11 LEU H 3.55 #peak 5
B11 LEU H B12 LEU H 3.71 #peak 6
B14 THR H B15 LEU H 3.71 #peak 10
B31 LEU H B32 LYS H 3.92 #peak 14
B32 LYS H B33 SER H 3.59 #peak 16
B12 LEU H B13 ARG H 3.69 #peak 20
B29 ASN H B30 ILE H 3.68 #peak 24
B28 LEU H B29 ASN H 3.87 #peak 27
B29 ASN H B32 LYS H 4.79 #peak 30
B8 LEU H B9 GLN H 3.65 #peak 34
B30 ILE H B31 LEU H 3.61 #peak 47
B29 ASN H B31 LEU H 4.98 #peak 49
B45 ARG H B46 THR H 3.75 #peak 51
B43 LYS H B44 GLN H 3.66 #peak 61
B22 GLN H B23 GLN H 4.40 #peak 78
B6 SER H B7 ALA H 4.28 #peak 112
B47 ALA H B48 LYS H 4.25 #peak 119
B48 LYS H B49 TYR H 3.78 #peak 120
B40 ALA H B41 PHE H 3.58 #peak 127
B39 ALA H B40 ALA H 3.71 #peak 128
B15 LEU H B16 LYS H 3.90 #peak 146
B46 THR H B47 ALA H 4.13 #peak 161
B49 TYR H B50 VAL H 3.47 #peak 166
B41 PHE H B41 PHE QD 4.40 #peak 190
B3 ILE H B4 SER HA 5.08 #peak 221
B7 ALA HA B10 ASP H 3.96 #peak 239
B46 THR H B46 THR HB 4.04 #peak 242
B20 SER H B20 SER QB 3.15 #peak 244
B14 THR HB B15 LEU H 4.08 #peak 251
B14 THR H B14 THR HB 3.76 #peak 253
B26 GLN HA B29 ASN H 3.95 #peak 258
B3 ILE HA B4 SER H 3.14 #peak 263
B33 SER H B33 SER QB 3.28 #peak 278
B14 THR HA B16 LYS H 4.56 #peak 284
B6 SER HB2 B7 ALA H 4.38 #peak 291
B6 SER HB3 B7 ALA H 4.38 #peak 291
B25 GLN HA B28 LEU H 4.19 #peak 293
B17 SER H B17 SER HB2 3.64 #peak 295
B28 LEU HA B31 LEU H 4.34 #peak 302
B34 ASN H B35 PRO HD3 4.37 #peak 310
B41 PHE HB2 B42 ILE H 4.29 #peak 311
B41 PHE H B41 PHE HB2 3.39 #peak 312
B49 TYR H B49 TYR HB2 4.05 #peak 314
B41 PHE HB3 B42 ILE H 4.29 #peak 315
B41 PHE H B41 PHE HB3 3.39 #peak 318
B29 ASN H B29 ASN HB2 3.26 #peak 319
B10 ASP HB2 B11 LEU H 4.30 #peak 321
B10 ASP H B10 ASP HB2 3.71 #peak 322
B34 ASN H B34 ASN HB2 3.71 #peak 323
B49 TYR H B49 TYR HB3 4.05 #peak 325
B10 ASP HB3 B11 LEU H 4.30 #peak 329
B10 ASP H B10 ASP HB3 3.71 #peak 330
B24 GLN H B24 GLN QG 3.45 #peak 333
B34 ASN HB3 B37 LEU H 4.19 #peak 334
B34 ASN H B34 ASN HB3 3.89 #peak 336
B9 GLN H B9 GLN QG 3.53 #peak 340
B9 GLN QG B10 ASP H 4.63 #peak 342
B22 GLN H B22 GLN QG 4.00 #peak 343
B25 GLN H B25 GLN QG 3.55 #peak 347
B44 GLN H B44 GLN HG2 5.42 #peak 357
B44 GLN H B44 GLN HG3 5.42 #peak 357
B27 VAL H B27 VAL HB 3.13 #peak 361
B27 VAL HB B28 LEU H 3.50 #peak 366
B9 GLN QB B10 ASP H 3.51 #peak 368
B9 GLN H B9 GLN QB 3.28 #peak 369
B25 GLN H B25 GLN QB 2.95 #peak 372
B25 GLN QB B26 GLN H 3.38 #peak 375
B50 VAL H B50 VAL HB 4.15 #peak 376
B22 GLN H B22 GLN QB 3.45 #peak 378
B24 GLN H B24 GLN QB 3.30 #peak 379
B16 LYS H B16 LYS QB 3.73 #peak 383
B15 LEU H B15 LEU HB2 3.78 #peak 384
B5 PRO QB B6 SER H 4.18 #peak 385
B42 ILE H B42 ILE HB 3.37 #peak 387
B38 MET H B38 MET QB 3.11 #peak 389
B13 ARG H B13 ARG QB 2.97 #peak 390
B13 ARG QB B14 THR H 3.46 #peak 391
B12 LEU H B12 LEU HB2 3.33 #peak 394
B30 ILE H B30 ILE HB 3.05 #peak 396
B15 LEU H B15 LEU HB3 3.78 #peak 397
B32 LYS QB B33 SER H 3.53 #peak 401
B37 LEU H B37 LEU QB 3.58 #peak 402
B31 LEU QB B34 ASN H 5.16 #peak 404
B32 LYS QB B34 ASN H 5.50 #peak 404
B28 LEU HB2 B29 ASN H 3.61 #peak 405
B32 LYS H B32 LYS QB 3.08 #peak 406
B31 LEU H B31 LEU QB 2.99 #peak 407
B28 LEU H B28 LEU HB2 3.71 #peak 408
B3 ILE H B3 ILE HB 3.40 #peak 411
B37 LEU H B37 LEU HG 4.31 #peak 412
B8 LEU H B8 LEU QB 3.06 #peak 414
B8 LEU QB B9 GLN H 3.46 #peak 415
B16 LYS H B16 LYS QD 3.88 #peak 416
B11 LEU H B11 LEU QB 3.42 #peak 417
B11 LEU QB B12 LEU H 3.59 #peak 418
B32 LYS H B32 LYS QD 4.40 #peak 420
B39 ALA QB B40 ALA H 3.28 #peak 422
B40 ALA H B40 ALA QB 3.38 #peak 422
B38 MET H B39 ALA QB 4.50 #peak 423
B40 ALA QB B41 PHE H 3.43 #peak 424
B39 ALA H B39 ALA QB 2.97 #peak 425
B15 LEU H B15 LEU HG 4.12 #peak 426
B16 LYS H B16 LYS QG 4.01 #peak 429
B47 ALA H B47 ALA QB 3.34 #peak 431
B7 ALA H B7 ALA QB 3.21 #peak 433
B28 LEU H B28 LEU HB3 3.71 #peak 434
B28 LEU HB3 B29 ASN H 3.61 #peak 437
B14 THR QG2 B27 VAL H 3.87 #peak 440
B14 THR H B14 THR QG2 4.15 #peak 441
B46 THR H B46 THR QG2 3.94 #peak 442
B30 ILE H B30 ILE QG1 3.62 #peak 446
B26 GLN H B27 VAL QG2 4.30 #peak 447
B27 VAL H B27 VAL QG2 3.12 #peak 448
B14 THR H B15 LEU QQD 4.84 #peak 449
B11 LEU H B11 LEU QD1 4.75 #peak 452
B11 LEU H B30 ILE QG2 5.05 #peak 452
B50 VAL H B50 VAL QQG 3.65 #peak 453
B15 LEU H B15 LEU QQD 3.59 #peak 454
B42 ILE H B42 ILE QG2 4.00 #peak 455
B12 LEU QQD B13 ARG H 3.99 #peak 456
B15 LEU QQD B16 LYS H 4.22 #peak 457
B3 ILE QG2 B4 SER H 3.64 #peak 458
B37 LEU QQD B38 MET H 4.16 #peak 460
B12 LEU H B12 LEU QQD 4.41 #peak 461
B30 ILE QG2 B31 LEU H 3.78 #peak 462
B8 LEU QQD B9 GLN H 4.13 #peak 463
B3 ILE QG2 B8 LEU H 3.81 #peak 464
B8 LEU H B8 LEU QQD 3.99 #peak 464
B42 ILE QG2 B44 GLN H 5.20 #peak 466
B3 ILE H B3 ILE QG2 4.33 #peak 469
B3 ILE H B3 ILE QD1 4.71 #peak 469
B37 LEU H B37 LEU QQD 3.93 #peak 470
B37 LEU QQD B40 ALA H 4.45 #peak 471
B37 LEU QQD B41 PHE H 4.41 #peak 472
B28 LEU H B28 LEU QD1 4.79 #peak 476
B30 ILE H B30 ILE QD1 3.90 #peak 477
B27 VAL H B27 VAL QG1 3.94 #peak 478
B27 VAL QG1 B28 LEU H 4.20 #peak 479
B28 LEU H B28 LEU QD2 4.79 #peak 479
B31 LEU H B31 LEU QD1 4.06 #peak 480
B31 LEU H B31 LEU QD2 4.06 #peak 481
B46 THR H B50 VAL QQG 5.50 #peak 483
B46 THR H B47 ALA QB 4.75 #peak 486
B33 SER H B34 ASN HB2 5.18 #peak 488
B32 LYS QD B33 SER H 5.35 #peak 489
B29 ASN HA B32 LYS H 4.54 #peak 490
B28 LEU HA B32 LYS H 4.74 #peak 491
B30 ILE HA B32 LYS H 5.27 #peak 491
B14 THR H B14 THR HG1 4.67 #peak 494
B41 PHE HA B44 GLN H 4.60 #peak 497
B40 ALA QB B44 GLN H 4.51 #peak 499
B10 ASP HA B13 ARG H 4.83 #peak 505
B11 LEU H B13 ARG H 4.89 #peak 506
B13 ARG H B15 LEU H 5.18 #peak 506
B23 GLN H B23 GLN QG 4.77 #peak 507
B17 SER H B17 SER HB3 3.64 #peak 509
B6 SER HA B9 GLN H 3.92 #peak 513
B7 ALA QB B9 GLN H 5.01 #peak 514
B8 LEU HG B9 GLN H 5.45 #peak 514
B29 ASN H B29 ASN HB3 3.26 #peak 517
B8 LEU H B9 GLN QB 4.64 #peak 532
B32 LYS H B34 ASN H 4.74 #peak 535
B49 TYR H B50 VAL QQG 4.24 #peak 539
B47 ALA QB B49 TYR H 4.43 #peak 541
B48 LYS QB B49 TYR H 4.22 #peak 542
B27 VAL QG2 B28 LEU H 3.98 #peak 545
B41 PHE QD B42 ILE H 4.44 #peak 546
B40 ALA QB B42 ILE H 4.95 #peak 549
B42 ILE H B42 ILE QG1 4.02 #peak 550
B41 PHE H B42 ILE HB 5.11 #peak 551
B12 LEU H B12 LEU HB3 3.33 #peak 554
B14 THR QG2 B26 GLN H 5.34 #peak 558
B8 LEU QB B10 ASP H 5.14 #peak 565
B10 ASP H B11 LEU QB 5.48 #peak 565
B10 ASP H B30 ILE QD1 5.19 #peak 566
B8 LEU H B10 ASP H 4.64 #peak 567
B47 ALA H B50 VAL QQG 5.31 #peak 568
B47 ALA HA B50 VAL H 4.70 #peak 571
B35 PRO HD2 B37 LEU H 4.79 #peak 572
B4 SER H B7 ALA QB 4.50 #peak 574
B3 ILE HB B4 SER H 4.83 #peak 575
B14 THR QG2 B15 LEU H 4.56 #peak 577
B11 LEU H B11 LEU QD2 4.75 #peak 578
B11 LEU H B30 ILE HB 5.50 #peak 579
B7 ALA HA B11 LEU H 5.50 #peak 580
B7 ALA QB B11 LEU H 5.50 #peak 583
B3 ILE QG2 B7 ALA H 5.50 #peak 585
B7 ALA H B8 LEU QQD 5.50 #peak 585
B7 ALA H B8 LEU QB 4.69 #peak 586
B7 ALA H B9 GLN H 5.03 #peak 588
B7 ALA H B10 ASP H 5.50 #peak 588
B27 VAL HA B30 ILE H 4.57 #peak 589
B42 ILE H B42 ILE QD1 3.83 #peak 592
B48 LYS H B50 VAL H 4.69 #peak 596
B48 LYS H B48 LYS QB 3.68 #peak 598
B48 LYS H B48 LYS HG2 5.26 #peak 601
B48 LYS H B48 LYS HG3 5.26 #peak 601
B47 ALA QB B48 LYS H 4.16 #peak 603
B42 ILE HA B44 GLN H 5.24 #peak 605
B23 GLN H B24 GLN QG 5.15 #peak 606
B7 ALA QB B8 LEU HA 3.78 #peak 16
B7 ALA QB B8 LEU H 3.47 #peak 19
B3 ILE QG2 B7 ALA QB 3.87 #peak 20
B7 ALA QB B8 LEU QQD 4.41 #peak 20
B38 MET QB B39 ALA QB 3.97 #peak 29
B37 LEU QQD B40 ALA QB 3.45 #peak 34
B27 VAL HB B28 LEU HA 4.44 #peak 88
B14 THR QG2 B27 VAL QG2 3.43 #peak 95
B27 VAL QG2 B30 ILE HB 5.30 #peak 96
B27 VAL HA B27 VAL QG2 3.68 #peak 98
B14 THR HB B27 VAL QG2 4.39 #peak 101
B27 VAL QG1 B31 LEU QB 3.91 #peak 107
B27 VAL HA B27 VAL QG1 3.71 #peak 109
B27 VAL QG1 B28 LEU HA 4.32 #peak 110
B7 ALA HA B10 ASP HB2 4.98 #peak 160
B7 ALA HA B10 ASP HB3 4.98 #peak 161
B30 ILE QG2 B31 LEU QD1 3.82 #peak 264
B31 LEU QB B31 LEU QD1 3.75 #peak 267
B30 ILE QG2 B31 LEU QD2 3.82 #peak 278
B31 LEU QB B31 LEU QD2 3.75 #peak 279
B11 LEU H B30 ILE QD1 4.35 #peak 280
B11 LEU HA B30 ILE QD1 3.69 #peak 282
B26 GLN HA B30 ILE QD1 4.35 #peak 283
B30 ILE HA B30 ILE QD1 4.57 #peak 284
B27 VAL HA B30 ILE QD1 4.05 #peak 285
B10 ASP HB2 B30 ILE QD1 4.31 #peak 286
B10 ASP HB3 B30 ILE QD1 4.31 #peak 287
B27 VAL HB B30 ILE QD1 4.69 #peak 288
B11 LEU QB B30 ILE QD1 4.27 #peak 290
B11 LEU QB B30 ILE QG1 3.68 #peak 295
B39 ALA HA B42 ILE HB 4.38 #peak 298
B27 VAL HA B30 ILE HB 4.61 #peak 309
B30 ILE HB B31 LEU H 4.19 #peak 311
B30 ILE HB B30 ILE QD1 4.10 #peak 312
B49 TYR HB2 B50 VAL H 4.90 #peak 313
B49 TYR HB3 B50 VAL H 4.90 #peak 316
B25 GLN HA B28 LEU HB2 4.96 #peak 324
B28 LEU HA B31 LEU QB 5.35 #peak 325
B25 GLN HA B28 LEU HB3 4.96 #peak 333
B3 ILE HA B3 ILE QD1 4.55 #peak 344
B3 ILE HB B3 ILE QD1 3.51 #peak 346
B42 ILE HB B42 ILE QD1 3.35 #peak 351
B42 ILE HA B42 ILE QD1 4.61 #peak 354
B39 ALA HA B42 ILE QD1 4.53 #peak 355
B4 SER H B4 SER QB 3.45 #peak 292
B6 SER H B6 SER QB 3.50 #peak 297
B6 SER QB B7 ALA H 3.65 #peak 291
B7 ALA HA B10 ASP QB 4.14 #peak 160
B10 ASP H B10 ASP QB 3.05 #peak 322
B10 ASP QB B11 LEU H 3.71 #peak 321
B10 ASP QB B30 ILE QG2 4.39 #peak 171
B10 ASP QB B30 ILE QD1 3.56 #peak 287
B11 LEU QQD B12 LEU H 4.19 #peak 461
B12 LEU H B12 LEU QB 2.90 #peak 394
B15 LEU H B15 LEU QB 3.26 #peak 384
B17 SER H B17 SER QB 3.11 #peak 295
B25 GLN H B28 LEU QQD 4.93 #peak 516
B25 GLN HA B28 LEU QB 4.27 #peak 324
B26 GLN H B26 GLN QB 3.38 #peak 375
B26 GLN H B26 GLN QG 3.47 #peak 559
B26 GLN HA B29 ASN QB 4.14 #peak 186
B27 VAL QG1 B31 LEU QQD 3.99 #peak 113
B28 LEU H B28 LEU QB 3.10 #peak 408
B28 LEU H B28 LEU QQD 3.52 #peak 476
B28 LEU HA B28 LEU QQD 3.57 #peak 340
B28 LEU QB B29 ASN H 3.11 #peak 405
B29 ASN H B29 ASN QB 2.84 #peak 319
B29 ASN QB B30 ILE H 4.44 #peak 191
B30 ILE QG2 B31 LEU QQD 3.17 #peak 264
B30 ILE QG1 B31 LEU QQD 5.44 #peak 294
B31 LEU HA B31 LEU QQD 3.52 #peak 271
B31 LEU QQD B32 LYS H 5.33 #peak 260
B31 LEU QQD B41 PHE H 5.17 #peak 552
B31 LEU QQD B41 PHE QB 3.82 #peak 269
B31 LEU QQD B41 PHE QD 4.39 #peak 262
B41 PHE QB B42 ILE H 3.52 #peak 311
B44 GLN H B44 GLN QB 3.16 #peak 395
B44 GLN H B44 GLN QG 4.56 #peak 357
B48 LYS H B48 LYS QG 4.55 #peak 601
B49 TYR H B49 TYR QB 3.46 #peak 325
B49 TYR QB B50 VAL H 4.05 #peak 313
A42 GLN QB B36 GLN H 5.01
A36 ILE QG1 B42 ILE H 5.29
A19 LEU HG B46 THR H 5.50
A27 LEU QQD B44 GLN H 5.50
A42 GLN QG B36 GLN H 4.88
A36 ILE QG2 B42 ILE H 4.11
A12 LEU QQD B13 ARG H 3.83
A12 LEU QQD B16 LYS H 3.74
A30 ILE QD1 B28 LEU H 3.26
A30 ILE HB B28 LEU H 3.83
A12 LEU QQD B15 LEU H 4.37
A12 LEU QQD B17 SER H 4.81
A11 LEU QQD B8 ALA H 6.00
A11 LEU QB B8 ALA H 6.00
A11 LEU QQD B9 GLN H 6.00
A7 ALA QB B9 GLN H 6.00
A11 LEU QQD B3 ILE H 6.00
A7 ALA QB B3 ILE H 6.00
;
2 1 518 36 parsed_6es7 1
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