NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype |
|
|
632561 |
6es6   |
34188 | cing | 2-parsed | STAR | entry | full |
data_6es6_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6es6
_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_6es6 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6es6
_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 6es6 "Master copy" parsed_6es6
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6es6
_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 6es6.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6es6 1
1 6es6.mr . . DYANA/DIANA 2 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_6es6 1
1 6es6.mr . . DYANA/DIANA 3 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_6es6 1
1 6es6.mr . . DYANA/DIANA 4 distance NOE simple 0 parsed_6es6 1
1 6es6.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6es6 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_6es6
_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 6ES6
*TITLE STRUCTURE AND DYNAMICS CONSPIRE IN THE EVOLUTION OF AFFINITY BETWEEN
*TITLE 2 INTRINSICALLY DISORDERED PROTEINS
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: CID;
*COMPND 3 CHAIN: A;
*COMPND 4 ENGINEERED: YES;
*COMPND 5 MOL_ID: 2;
*COMPND 6 MOLECULE: NCBD;
*COMPND 7 CHAIN: B;
*COMPND 8 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
*SOURCE 3 ORGANISM_TAXID: 9606;
*SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562;
*SOURCE 6 MOL_ID: 2;
*SOURCE 7 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
*SOURCE 8 ORGANISM_TAXID: 9606;
*SOURCE 9 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE 10 EXPRESSION_SYSTEM_TAXID: 562
*KEYWDS NCBD, CID, COMPLEX, IDP, DNA BINDING PROTEIN
*EXPDTA SOLUTION NMR
*NUMMDL 20
*AUTHOR N.C.CHI
*REVDAT 1 31-OCT-18 6ES6 0
;
save_
save_DYANA/DIANA_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6es6
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 2
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1 "Restraints file 1: AB.aco" 1 1 1 27 parsed_6es6 1
stop_
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1
;
A7 ASP PHI -164.1 -24.6
A7 ASP PSI 88.9 225.2
A8 GLU PHI -86.7 -44.5
A8 GLU PSI -71.7 0.3
A9 LYS PHI -71.0 -51.0
A9 LYS PSI -53.2 -31.6
A10 ALA PHI -92.1 -44.0
A10 ALA PSI -55.4 -23.9
A11 LEU PHI -75.8 -52.9
A11 LEU PSI -54.1 -32.7
A12 LEU PHI -80.4 -51.2
A12 LEU PSI -50.7 -28.9
A13 ASP PHI -81.7 -55.2
A13 ASP PSI -48.6 -26.3
A14 GLN PHI -98.8 -41.1
A14 GLN PSI -76.0 -2.4
A15 LEU PHI -71.7 -51.7
A15 LEU PSI -51.3 -31.3
A16 ASP PHI -71.1 -48.6
A16 ASP PSI -48.5 -28.5
A17 SER PHI -74.9 -51.1
A17 SER PSI -56.9 -36.9
A18 LEU PHI -74.5 -52.3
A18 LEU PSI -50.3 -27.2
A19 LEU PHI -75.6 -55.6
A19 LEU PSI -53.1 -23.8
A20 SER PHI -80.5 -53.6
A20 SER PSI -59.4 -15.5
A21 SER PHI -111.4 -83.7
A21 SER PSI -45.4 36.2
A23 ASP PHI -102.0 -47.2
A23 ASP PSI 98.3 178.5
A24 GLU PHI -71.0 -49.5
A24 GLU PSI -58.0 -10.8
A25 MET PHI -72.6 -52.6
A25 MET PSI -51.8 -31.4
A26 GLU PHI -75.0 -55.0
A26 GLU PSI -60.8 -17.8
A27 LEU PHI -73.9 -53.9
A27 LEU PSI -49.0 -26.7
A28 ALA PHI -77.1 -53.1
A28 ALA PSI -51.6 -31.6
A29 GLU PHI -78.8 -57.8
A29 GLU PSI -56.6 -16.1
A30 ILE PHI -74.3 -54.3
A30 ILE PSI -52.8 -32.8
A31 ASP PHI -71.2 -51.2
A31 ASP PSI -53.0 -29.9
A32 ARG PHI -93.0 -44.7
A32 ARG PSI -56.9 -18.9
A33 ALA PHI -72.7 -52.7
A33 ALA PSI -43.2 -12.1
A34 LEU PHI -98.2 -72.1
A34 LEU PSI -15.7 10.6
A36 ILE PHI -102.7 -31.8
A36 ILE PSI -72.9 15.6
A37 ASP PHI -100.4 -40.1
A37 ASP PSI -62.4 6.5
A38 LYS PHI -106.9 -37.5
A38 LYS PSI -72.1 10.1
A39 LEU PHI -89.2 -49.7
A39 LEU PSI -54.4 -18.1
B3 ILE PHI -155.3 -43.2
B3 ILE PSI 69.6 185.1
B6 ASN PHI -105.5 -42.9
B6 ASN PSI -59.5 9.5
B7 ALA PHI -73.8 -53.9
B7 ALA PSI -52.3 -32.3
B8 LEU PHI -73.0 -52.0
B8 LEU PSI -54.8 -23.5
B9 GLN PHI -72.7 -51.7
B9 GLN PSI -55.2 -27.8
B10 ASP PHI -74.8 -53.7
B10 ASP PSI -54.6 -27.0
B11 LEU PHI -74.3 -54.3
B11 LEU PSI -55.1 -35.1
B12 LEU PHI -71.9 -51.9
B12 LEU PSI -56.9 -29.6
B13 ARG PHI -71.3 -51.3
B13 ARG PSI -53.1 -19.9
B14 THR PHI -85.2 -46.8
B14 THR PSI -56.6 -29.2
B15 LEU PHI -83.7 -49.4
B15 LEU PSI -51.5 -20.2
B16 ARG PHI -125.5 -62.4
B16 ARG PSI -28.1 17.9
B17 SER PHI -125.3 -21.4
B17 SER PSI 129.2 165.3
B19 SER PHI -124.5 -61.2
B19 SER PSI 89.1 163.6
B20 SER PHI -100.4 -44.0
B20 SER PSI 115.6 174.5
B22 GLN PHI -77.3 -52.5
B22 GLN PSI -59.1 -17.6
B23 GLN PHI -74.7 -54.7
B23 GLN PSI -48.9 -25.0
B24 GLN PHI -72.4 -52.4
B24 GLN PSI -54.7 -34.7
B25 GLN PHI -73.0 -49.1
B25 GLN PSI -51.8 -31.8
B26 GLN PHI -75.7 -55.7
B26 GLN PSI -60.1 -19.5
B27 VAL PHI -74.7 -54.7
B27 VAL PSI -56.4 -36.4
B28 LEU PHI -71.6 -47.5
B28 LEU PSI -49.2 -29.2
B29 ASN PHI -80.8 -53.1
B29 ASN PSI -50.9 -30.9
B30 ILE PHI -88.3 -44.3
B30 ILE PSI -60.5 -19.9
B31 LEU PHI -72.9 -48.5
B31 LEU PSI -57.9 -34.0
B32 LYS PHI -80.8 -43.4
B32 LYS PSI -53.1 -22.7
B33 SER PHI -100.1 -75.6
B33 SER PSI -37.5 4.8
B36 GLN PHI -75.9 -55.9
B36 GLN PSI -55.7 -21.2
B37 LEU PHI -75.2 -50.4
B37 LEU PSI -55.8 -32.0
B38 MET PHI -77.8 -55.7
B38 MET PSI -57.8 -11.3
B39 ALA PHI -78.1 -52.0
B39 ALA PSI -57.8 -22.3
B40 ALA PHI -75.6 -55.6
B40 ALA PSI -52.6 -26.2
B41 PHE PHI -74.3 -54.3
B41 PHE PSI -53.4 -33.4
B42 ILE PHI -72.4 -51.0
B42 ILE PSI -60.0 -30.2
B43 LYS PHI -70.0 -50.0
B43 LYS PSI -52.6 -31.7
B44 GLN PHI -75.0 -54.0
B44 GLN PSI -58.5 -13.7
B45 ARG PHI -83.8 -42.3
B45 ARG PSI -68.3 -30.5
B46 ALA PHI -76.5 -48.8
B46 ALA PSI -62.0 -16.3
B47 ALA PHI -86.3 -54.6
B47 ALA PSI -63.3 3.2
B48 LYS PHI -118.5 -48.5
B48 LYS PSI -62.5 26.9
;
2 3 143 33 parsed_6es6 1
stop_
save_
save_DYANA/DIANA_dipolar_coupling_3
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_6es6
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 3
_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 2: AB.rdc" 1 1 1 27 parsed_6es6 1
2 "Tensor Magnitude Rhombicity Residue" 2 1 2 37 parsed_6es6 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_6es6 1
2
;
2 8.2300 0.6080 L11
#First atom Second atom RDC Error Weight Tensor Scale
A3 GLU N A3 GLU H -1.643 0.500 1.00E+00 1 1.0000
A4 SER N A4 SER H -1.970 0.500 1.00E+00 1 1.0000
A6 ASN N A6 ASN H -1.060 0.500 1.00E+00 1 1.0000
A7 ASP N A7 ASP H -2.222 0.500 1.00E+00 1 1.0000
A8 GLU N A8 GLU H -0.782 0.500 1.00E+00 1 1.0000
A9 LYS N A9 LYS H 2.354 0.500 1.00E+00 1 1.0000
A10 ALA N A10 ALA H -1.504 0.500 1.00E+00 1 1.0000
A11 LEU N A11 LEU H -1.263 0.500 1.00E+00 1 1.0000
A12 LEU N A12 LEU H -0.594 0.500 1.00E+00 1 1.0000
A13 ASP N A13 ASP H -0.774 0.500 1.00E+00 1 1.0000
A14 GLN N A14 GLN H -1.360 0.500 1.00E+00 1 1.0000
A15 LEU N A15 LEU H 2.383 0.500 1.00E+00 1 1.0000
A16 ASP N A16 ASP H 2.432 0.500 1.00E+00 1 1.0000
A17 SER N A17 SER H 0.820 0.500 1.00E+00 1 1.0000
A18 LEU N A18 LEU H -1.907 0.500 1.00E+00 1 1.0000
A19 LEU N A19 LEU H 0.383 0.500 1.00E+00 1 1.0000
A20 SER N A20 SER H 3.956 0.500 1.00E+00 1 1.0000
A21 SER N A21 SER H 0.060 0.500 1.00E+00 1 1.0000
A22 THR N A22 THR H -0.122 0.500 1.00E+00 1 1.0000
A23 ASP N A23 ASP H -2.507 0.500 1.00E+00 1 1.0000
A24 GLU N A24 GLU H -4.627 0.500 1.00E+00 1 1.0000
A25 MET N A25 MET H -0.123 0.500 1.00E+00 1 1.0000
A26 GLU N A26 GLU H 0.449 0.500 1.00E+00 1 1.0000
A27 LEU N A27 LEU H -4.723 0.500 1.00E+00 1 1.0000
A28 ALA N A28 ALA H -2.687 0.500 1.00E+00 1 1.0000
A29 GLU N A29 GLU H 1.264 0.500 1.00E+00 1 1.0000
A30 ILE N A30 ILE H -0.815 0.500 1.00E+00 1 1.0000
A31 ASP N A31 ASP H -2.771 0.500 1.00E+00 1 1.0000
A32 ARG N A32 ARG H -0.428 0.500 1.00E+00 1 1.0000
A33 ALA N A33 ALA H 0.356 0.500 1.00E+00 1 1.0000
A34 LEU N A34 LEU H 0.011 0.500 1.00E+00 1 1.0000
A35 GLY N A35 GLY H 0.273 0.500 1.00E+00 1 1.0000
A36 ILE N A36 ILE H 1.779 0.500 1.00E+00 1 1.0000
A37 ASP N A37 ASP H -1.244 0.500 1.00E+00 1 1.0000
A38 LYS N A38 LYS H -1.267 0.500 1.00E+00 1 1.0000
A39 LEU N A39 LEU H 1.831 0.500 1.00E+00 1 1.0000
A40 VAL N A40 VAL H 1.456 0.500 1.00E+00 1 1.0000
A41 SER N A41 SER H -1.184 0.500 1.00E+00 1 1.0000
A42 GLN N A42 GLN H -0.627 0.500 1.00E+00 1 1.0000
A43 GLN N A43 GLN H -0.134 0.500 1.00E+00 1 1.0000
A44 GLY N A44 GLY H -1.554 0.500 1.00E+00 1 1.0000
A45 GLY N A45 GLY H -0.210 0.500 1.00E+00 1 1.0000
B3 ILE N B3 ILE H 3.688 0.500 1.00E+00 2 1.0000
B6 ASN N B6 ASN H -9.975 0.500 1.00E+00 2 1.0000
B7 ALA N B7 ALA H 3.602 0.500 1.00E+00 2 1.0000
B8 LEU N B8 LEU H 0.932 0.500 1.00E+00 2 1.0000
B9 GLN N B9 GLN H -8.527 0.500 1.00E+00 2 1.0000
B10 ASP N B10 ASP H -3.092 0.500 1.00E+00 2 1.0000
B11 LEU N B11 LEU H 4.110 0.500 1.00E+00 2 1.0000
B12 LEU N B12 LEU H -0.187 0.500 1.00E+00 2 1.0000
B13 ARG N B13 ARG H -7.797 0.500 1.00E+00 2 1.0000
B14 THR N B14 THR H 3.178 0.500 1.00E+00 2 1.0000
B15 LEU N B15 LEU H 4.848 0.500 1.00E+00 2 1.0000
B16 ARG N B16 ARG H -12.312 0.500 1.00E+00 2 1.0000
B17 SER N B17 SER H -10.224 0.500 1.00E+00 2 1.0000
B19 SER N B19 SER H 5.596 0.500 1.00E+00 2 1.0000
B20 SER N B20 SER H 6.636 0.500 1.00E+00 2 1.0000
B22 GLN N B22 GLN H 5.650 0.500 1.00E+00 2 1.0000
B23 GLN N B23 GLN H 5.798 0.500 1.00E+00 2 1.0000
B24 GLN N B24 GLN H -0.986 0.500 1.00E+00 2 1.0000
B25 GLN N B25 GLN H 7.260 0.500 1.00E+00 2 1.0000
B26 GLN N B26 GLN H 1.814 0.500 1.00E+00 2 1.0000
B27 VAL N B27 VAL H 1.676 0.500 1.00E+00 2 1.0000
B28 LEU N B28 LEU H 6.677 0.500 1.00E+00 2 1.0000
B29 ASN N B29 ASN H 3.016 0.500 1.00E+00 2 1.0000
B30 ILE N B30 ILE H -3.532 0.500 1.00E+00 2 1.0000
B31 LEU N B31 LEU H 2.971 0.500 1.00E+00 2 1.0000
B32 LYS N B32 LYS H 7.585 0.500 1.00E+00 2 1.0000
B33 SER N B33 SER H 6.667 0.500 1.00E+00 2 1.0000
B34 ASN N B34 ASN H -9.230 0.500 1.00E+00 2 1.0000
B36 GLN N B36 GLN H -19.126 0.500 1.00E+00 2 1.0000
B37 LEU N B37 LEU H -15.520 0.500 1.00E+00 2 1.0000
B38 MET N B38 MET H -21.237 0.500 1.00E+00 2 1.0000
B39 ALA N B39 ALA H -15.463 0.500 1.00E+00 2 1.0000
B40 ALA N B40 ALA H -22.803 0.500 1.00E+00 2 1.0000
B41 PHE N B41 PHE H -22.002 0.500 1.00E+00 2 1.0000
B42 ILE N B42 ILE H -20.370 0.500 1.00E+00 2 1.0000
B43 LYS N B43 LYS H -19.782 0.500 1.00E+00 2 1.0000
B44 GLN N B44 GLN H -22.580 0.500 1.00E+00 2 1.0000
B45 ARG N B45 ARG H -21.773 0.500 1.00E+00 2 1.0000
B46 ALA N B46 ALA H -19.779 0.500 1.00E+00 2 1.0000
B47 ALA N B47 ALA H -8.908 0.500 1.00E+00 2 1.0000
B48 LYS N B48 LYS H -15.179 0.500 1.00E+00 2 1.0000
B49 TYR N B49 TYR H -7.995 0.500 1.00E+00 2 1.0000
B50 GLN N B50 GLN H 5.836 0.500 1.00E+00 2 1.0000
;
4 7 90 73 parsed_6es6 1
stop_
save_
save_DYANA/DIANA_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6es6
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 4
_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 3: AB.cco" 1 1 1 27 parsed_6es6 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
;
A3 GLU H A3 GLU HA 6.08 0.16 1.00E+00 0.427 -1.191 8.167
A4 SER H A4 SER HA 6.39 0.16 1.00E+00 0.427 -1.191 8.167
A6 ASN H A6 ASN HA 8.42 0.12 1.00E+00 0.427 -1.191 8.167
A7 ASP H A7 ASP HA 6.31 0.16 1.00E+00 0.427 -1.191 8.167
A9 LYS H A9 LYS HA 2.25 0.44 1.00E+00 0.427 -1.191 8.167
A11 LEU H A11 LEU HA 3.55 0.28 1.00E+00 0.427 -1.191 8.167
A15 LEU H A15 LEU HA 2.55 0.39 1.00E+00 0.427 -1.191 8.167
A16 ASP H A16 ASP HA 2.01 0.50 1.00E+00 0.427 -1.191 8.167
A17 SER H A17 SER HA 2.31 0.43 1.00E+00 0.427 -1.191 8.167
A18 LEU H A18 LEU HA 3.62 0.28 1.00E+00 0.427 -1.191 8.167
A20 SER H A20 SER HA 4.79 0.21 1.00E+00 0.427 -1.191 8.167
A23 ASP H A23 ASP HA 1.70 0.59 1.00E+00 0.427 -1.191 8.167
A25 MET H A25 MET HA 5.59 0.18 1.00E+00 0.427 -1.191 8.167
A30 ILE H A30 ILE HA 5.74 0.17 1.00E+00 0.427 -1.191 8.167
A32 ARG H A32 ARG HA 2.99 0.33 1.00E+00 0.427 -1.191 8.167
A33 ALA H A33 ALA HA 3.08 0.32 1.00E+00 0.427 -1.191 8.167
A36 ILE H A36 ILE HA 5.21 0.19 1.00E+00 0.427 -1.191 8.167
A37 ASP H A37 ASP HA 4.52 0.22 1.00E+00 0.427 -1.191 8.167
A38 LYS H A38 LYS HA 7.83 0.13 1.00E+00 0.427 -1.191 8.167
A39 LEU H A39 LEU HA 5.38 0.19 1.00E+00 0.427 -1.191 8.167
A40 VAL H A40 VAL HA 9.24 0.11 1.00E+00 0.427 -1.191 8.167
A41 SER H A41 SER HA 6.66 0.15 1.00E+00 0.427 -1.191 8.167
A43 GLN H A43 GLN HA 6.74 0.15 1.00E+00 0.427 -1.191 8.167
B3 ILE H B3 ILE HA 6.14 0.16 1.00E+00 0.427 -1.191 8.167
B7 ALA H B7 ALA HA 5.51 0.18 1.00E+00 0.427 -1.191 8.167
B8 LEU H B8 LEU HA 2.12 0.47 1.00E+00 0.427 -1.191 8.167
B9 GLN H B9 GLN HA 2.67 0.38 1.00E+00 0.427 -1.191 8.167
B10 ASP H B10 ASP HA 2.95 0.34 1.00E+00 0.427 -1.191 8.167
B11 LEU H B11 LEU HA 2.01 0.50 1.00E+00 0.427 -1.191 8.167
B12 LEU H B12 LEU HA 1.88 0.53 1.00E+00 0.427 -1.191 8.167
B13 ARG H B13 ARG HA 2.15 0.47 1.00E+00 0.427 -1.191 8.167
B14 THR H B14 THR HA 4.05 0.25 1.00E+00 0.427 -1.191 8.167
B15 LEU H B15 LEU HA 3.38 0.30 1.00E+00 0.427 -1.191 8.167
B16 ARG H B16 ARG HA 8.61 0.12 1.00E+00 0.427 -1.191 8.167
B17 SER H B17 SER HA 2.08 0.48 1.00E+00 0.427 -1.191 8.167
B19 SER H B19 SER HA 9.63 0.10 1.00E+00 0.427 -1.191 8.167
B20 SER H B20 SER HA 4.50 0.22 1.00E+00 0.427 -1.191 8.167
B22 GLN H B22 GLN HA 4.00 0.25 1.00E+00 0.427 -1.191 8.167
B23 GLN H B23 GLN HA 1.98 0.51 1.00E+00 0.427 -1.191 8.167
B24 GLN H B24 GLN HA 3.75 0.27 1.00E+00 0.427 -1.191 8.167
B25 GLN H B25 GLN HA 2.88 0.35 1.00E+00 0.427 -1.191 8.167
B26 GLN H B26 GLN HA 3.49 0.29 1.00E+00 0.427 -1.191 8.167
B27 VAL H B27 VAL HA 2.09 0.48 1.00E+00 0.427 -1.191 8.167
B28 LEU H B28 LEU HA 2.21 0.45 1.00E+00 0.427 -1.191 8.167
B29 ASN H B29 ASN HA 1.99 0.50 1.00E+00 0.427 -1.191 8.167
B30 ILE H B30 ILE HA 3.53 0.28 1.00E+00 0.427 -1.191 8.167
B31 LEU H B31 LEU HA 2.52 0.40 1.00E+00 0.427 -1.191 8.167
B32 LYS H B32 LYS HA 2.67 0.38 1.00E+00 0.427 -1.191 8.167
B33 SER H B33 SER HA 6.60 0.15 1.00E+00 0.427 -1.191 8.167
B34 ASN H B34 ASN HA 13.60 0.07 1.00E+00 0.427 -1.191 8.167
B37 LEU H B37 LEU HA 8.07 0.12 1.00E+00 0.427 -1.191 8.167
B38 MET H B38 MET HA 4.68 0.21 1.00E+00 0.427 -1.191 8.167
B39 ALA H B39 ALA HA 1.74 0.57 1.00E+00 0.427 -1.191 8.167
B40 ALA H B40 ALA HA 3.93 0.25 1.00E+00 0.427 -1.191 8.167
B41 PHE H B41 PHE HA 2.28 0.44 1.00E+00 0.427 -1.191 8.167
B42 ILE H B42 ILE HA 1.97 0.51 1.00E+00 0.427 -1.191 8.167
B43 LYS H B43 LYS HA 1.82 0.55 1.00E+00 0.427 -1.191 8.167
B44 GLN H B44 GLN HA 6.84 0.15 1.00E+00 0.427 -1.191 8.167
B45 ARG H B45 ARG HA 1.60 0.62 1.00E+00 0.427 -1.191 8.167
B46 ALA H B46 ALA HA 1.34 0.75 1.00E+00 0.427 -1.191 8.167
B47 ALA H B47 ALA HA 2.87 0.35 1.00E+00 0.427 -1.191 8.167
B49 TYR H B49 TYR HA 12.10 0.08 1.00E+00 0.427 -1.191 8.167
B50 GLN H B50 GLN HA 12.40 0.08 1.00E+00 0.427 -1.191 8.167
# Restraints file 4: AB_rdc.upl
A22 THR HB A27 LEU QQD 4.14 #peak 6
A33 ALA HA A34 LEU QD1 5.35 #peak 14
A33 ALA HA A34 LEU QD2 5.50 #peak 14
A33 ALA QB A34 LEU QD1 3.77 #peak 16
A33 ALA QB A34 LEU QD2 3.90 #peak 16
A30 ILE HA A33 ALA QB 3.94 #peak 17
A18 LEU HB3 A19 LEU H 4.52 #peak 27
A18 LEU HB2 A19 LEU H 4.52 #peak 29
A30 ILE HA A30 ILE QG2 3.73 #peak 34
A30 ILE HA A31 ASP HB2 5.50 #peak 36
A38 LYS HA A41 SER H 3.94 #peak 46
A39 LEU HA A39 LEU HG 3.61 #peak 49
A39 LEU HA A39 LEU QD1 4.34 #peak 51
A39 LEU HA A39 LEU QD2 4.34 #peak 51
A39 LEU HB3 A41 SER H 5.23 #peak 61
A39 LEU HB3 A40 VAL HA 4.45 #peak 63
A21 SER H A21 SER HB3 4.00 #peak 101
A20 SER H A21 SER HB2 5.10 #peak 109
A20 SER H A21 SER HB3 5.10 #peak 110
A20 SER H A20 SER HB3 3.57 #peak 120
A40 VAL HA A40 VAL QG1 3.87 #peak 134
A17 SER H A17 SER HB3 3.61 #peak 138
A30 ILE HB A30 ILE QD1 3.44 #peak 143
A30 ILE HA A30 ILE QD1 4.20 #peak 145
A30 ILE QD1 A31 ASP HA 4.25 #peak 146
A31 ASP HA A36 ILE QD1 4.35 #peak 150
A36 ILE HA A36 ILE QD1 4.00 #peak 151
A36 ILE HB A36 ILE QD1 3.55 #peak 156
A36 ILE QG2 A36 ILE QD1 3.07 #peak 163
A36 ILE QG2 A36 ILE HG13 4.09 #peak 164
A36 ILE QG2 A36 ILE HG12 4.09 #peak 165
A36 ILE QG2 A37 ASP HA 3.90 #peak 166
A36 ILE QG2 A37 ASP H 3.87 #peak 169
A36 ILE HA A36 ILE QG2 3.73 #peak 171
A30 ILE QG2 A31 ASP HB2 3.61 #peak 174
A36 ILE H A36 ILE QG2 3.84 #peak 177
A31 ASP HA A36 ILE HB 5.31 #peak 197
A36 ILE HB A37 ASP HA 5.50 #peak 197
A36 ILE HA A38 LYS H 4.92 #peak 208
A30 ILE H A30 ILE QG2 4.16 #peak 209
A7 ASP QB A10 ALA QB 4.17 #peak 211
A7 ASP HA A10 ALA QB 4.39 #peak 213
A22 THR QG2 A27 LEU QQD 3.60 #peak 216
A22 THR QG2 A26 GLU QB 4.12 #peak 219
A22 THR HA A22 THR QG2 3.64 #peak 222
A40 VAL HA A40 VAL QG2 3.69 #peak 223
A39 LEU HA A40 VAL QG2 4.84 #peak 224
A22 THR QG2 A23 ASP H 3.47 #peak 225
A22 THR H A22 THR QG2 3.92 #peak 226
A22 THR QG2 A27 LEU H 3.88 #peak 227
A40 VAL H A40 VAL QG1 3.97 #peak 230
A32 ARG HA A32 ARG HG2 4.25 #peak 250
A32 ARG HA A32 ARG HG3 4.25 #peak 251
A34 LEU HA A34 LEU QD1 3.40 #peak 261
A34 LEU HA A34 LEU QD2 3.43 #peak 265
A34 LEU HB3 A34 LEU QD2 3.33 #peak 267
A34 LEU QD2 A35 GLY QA 5.50 #peak 271
A23 ASP HA A24 GLU QG 4.85 #peak 280
A15 LEU HA A18 LEU H 5.00 #peak 294
A13 ASP H A13 ASP HB2 4.01 #peak 305
A13 ASP H A13 ASP HB3 4.01 #peak 306
A10 ALA HA A13 ASP H 4.22 #peak 311
A10 ALA HA A13 ASP HB2 4.26 #peak 313
A10 ALA HA A13 ASP HB3 4.26 #peak 314
A32 ARG HA A32 ARG HD2 5.14 #peak 339
A32 ARG HA A32 ARG HD3 5.14 #peak 340
A32 ARG H A32 ARG HD2 5.40 #peak 349
A32 ARG H A32 ARG HD3 5.40 #peak 349
A31 ASP HA A34 LEU HB2 5.16 #peak 354
A34 LEU HB2 A34 LEU QD2 3.91 #peak 358
A34 LEU HB3 A34 LEU QD1 3.90 #peak 359
A3 GLU HA A4 SER HG 4.44 #peak 374
A25 MET H A25 MET HG3 4.61 #peak 411
A25 MET H A25 MET HG2 4.61 #peak 412
A25 MET HG2 A29 GLU QB 4.68 #peak 418
A25 MET HG3 A29 GLU QB 4.68 #peak 419
A31 ASP HB3 A36 ILE HB 4.81 #peak 438
A24 GLU H A25 MET H 3.33 #peak 309
A31 ASP H A33 ALA H 4.33 #peak 311
A19 LEU H A20 SER H 3.30 #peak 321
A37 ASP H A39 LEU H 4.22 #peak 348
A37 ASP H A38 LYS H 3.46 #peak 353
A36 ILE H A37 ASP H 3.18 #peak 354
A44 GLY H A45 GLY H 3.92 #peak 364
A6 ASN H A7 ASP H 3.51 #peak 374
A13 ASP H A14 GLN H 3.03 #peak 385
A16 ASP H A17 SER H 3.13 #peak 400
A34 LEU H A36 ILE H 4.21 #peak 416
A35 GLY H A36 ILE H 3.07 #peak 419
A41 SER H A42 GLN H 3.48 #peak 430
A8 GLU H A9 LYS H 3.10 #peak 437
A25 MET H A26 GLU H 3.27 #peak 466
A31 ASP H A32 ARG H 3.29 #peak 509
A29 GLU H A30 ILE H 3.16 #peak 515
A8 GLU H A10 ALA H 4.28 #peak 516
A11 LEU H A12 LEU H 3.08 #peak 519
A28 ALA H A29 GLU H 3.07 #peak 520
A7 ASP H A10 ALA H 3.97 #peak 524
A14 GLN H A15 LEU H 2.83 #peak 526
A9 LYS H A10 ALA H 2.88 #peak 530
A40 VAL H A42 GLN H 4.07 #peak 543
A40 VAL H A41 SER H 3.15 #peak 549
A30 ILE H A31 ASP H 3.17 #peak 578
A20 SER H A21 SER H 3.37 #peak 591
A22 THR H A23 ASP H 4.45 #peak 614
A38 LYS H A39 LEU H 2.99 #peak 639
A41 SER HG A42 GLN H 2.94 #peak 798
A41 SER H A41 SER HG 3.51 #peak 802
A4 SER H A4 SER HG 2.84 #peak 803
A7 ASP HA A8 GLU H 2.84 #peak 823
A7 ASP HA A10 ALA H 4.81 #peak 824
A23 ASP HA A24 GLU H 3.02 #peak 834
A15 LEU HA A17 SER H 4.56 #peak 836
A4 SER HA A7 ASP H 5.06 #peak 842
A4 SER HA A6 ASN H 3.99 #peak 849
A22 THR HA A23 ASP H 2.88 #peak 852
A34 LEU HA A35 GLY H 3.50 #peak 856
A31 ASP HA A36 ILE H 5.09 #peak 859
A34 LEU HA A36 ILE H 5.50 #peak 859
A39 LEU H A39 LEU HA 2.91 #peak 868
A22 THR H A22 THR HB 3.50 #peak 879
A35 GLY QA A36 ILE H 3.36 #peak 893
A40 VAL HA A41 SER H 3.51 #peak 895
A35 GLY H A35 GLY QA 2.67 #peak 899
A12 LEU HA A15 LEU H 3.52 #peak 901
A12 LEU HA A16 ASP H 3.59 #peak 902
A21 SER H A21 SER HB2 4.00 #peak 903
A20 SER H A20 SER HB2 3.57 #peak 904
A17 SER H A17 SER HB2 3.61 #peak 908
A41 SER HB2 A42 GLN H 4.68 #peak 914
A41 SER HB3 A42 GLN H 4.68 #peak 914
A4 SER H A4 SER QB 3.72 #peak 916
A36 ILE HA A39 LEU H 3.66 #peak 919
A30 ILE HA A33 ALA H 3.60 #peak 926
A7 ASP H A7 ASP QB 2.99 #peak 954
A7 ASP QB A8 GLU H 3.07 #peak 956
A7 ASP QB A9 LYS H 4.22 #peak 958
A26 GLU H A26 GLU QG 4.13 #peak 978
A31 ASP H A31 ASP HB3 3.59 #peak 979
A31 ASP HB3 A32 ARG H 3.68 #peak 980
A42 GLN QG A43 GLN H 4.20 #peak 981
A29 GLU H A29 GLU QG 3.77 #peak 982
A42 GLN H A42 GLN QG 4.22 #peak 983
A24 GLU H A24 GLU QG 3.98 #peak 985
A14 GLN QB A15 LEU H 4.15 #peak 986
A14 GLN H A14 GLN QB 2.78 #peak 987
A31 ASP H A31 ASP HB2 3.14 #peak 999
A25 MET H A25 MET HB2 3.09 #peak 1000
A28 ALA H A29 GLU QB 4.42 #peak 1003
A26 GLU H A26 GLU QB 3.11 #peak 1004
A26 GLU QB A27 LEU H 3.86 #peak 1006
A29 GLU H A29 GLU QB 3.40 #peak 1010
A14 GLN H A14 GLN QG 3.13 #peak 1013
A25 MET H A25 MET HB3 3.09 #peak 1014
A8 GLU H A8 GLU QB 2.64 #peak 1016
A14 GLN QG A15 LEU H 4.11 #peak 1017
A8 GLU QB A9 LYS H 3.20 #peak 1023
A40 VAL HB A41 SER H 3.64 #peak 1025
A40 VAL H A40 VAL HB 3.11 #peak 1026
A42 GLN H A42 GLN QB 3.49 #peak 1029
A42 GLN QB A43 GLN H 3.78 #peak 1030
A43 GLN H A43 GLN QB 4.01 #peak 1030
A11 LEU H A11 LEU HB2 3.09 #peak 1032
A15 LEU H A15 LEU HB2 3.71 #peak 1034
A32 ARG HB2 A33 ALA H 3.02 #peak 1036
A9 LYS QB A10 ALA H 2.94 #peak 1038
A9 LYS H A9 LYS QB 2.65 #peak 1039
A32 ARG H A32 ARG HB2 2.78 #peak 1040
A38 LYS H A38 LYS HB2 3.73 #peak 1044
A34 LEU HB2 A35 GLY H 3.57 #peak 1046
A34 LEU H A34 LEU HB2 2.83 #peak 1048
A36 ILE H A36 ILE HB 3.08 #peak 1051
A15 LEU H A15 LEU HB3 3.71 #peak 1055
A30 ILE H A30 ILE HB 3.25 #peak 1057
A11 LEU H A11 LEU HB3 3.09 #peak 1058
A27 LEU H A27 LEU QB 3.45 #peak 1059
A39 LEU HB2 A40 VAL H 3.90 #peak 1062
A39 LEU H A39 LEU HB2 2.71 #peak 1064
A38 LYS H A38 LYS HB3 3.73 #peak 1066
A12 LEU H A12 LEU HB2 3.53 #peak 1067
A28 ALA QB A31 ASP H 4.58 #peak 1068
A33 ALA QB A34 LEU H 3.04 #peak 1072
A34 LEU HB3 A35 GLY H 4.51 #peak 1073
A33 ALA H A33 ALA QB 2.69 #peak 1074
A28 ALA QB A30 ILE H 4.84 #peak 1075
A28 ALA H A28 ALA QB 2.79 #peak 1076
A36 ILE H A36 ILE HG12 3.70 #peak 1077
A27 LEU H A27 LEU HG 4.68 #peak 1078
A27 LEU H A28 ALA QB 5.24 #peak 1078
A39 LEU HB3 A40 VAL H 3.51 #peak 1080
A28 ALA QB A29 GLU H 3.64 #peak 1081
A15 LEU H A15 LEU HG 3.25 #peak 1082
A12 LEU H A12 LEU HB3 3.53 #peak 1085
A10 ALA H A10 ALA QB 2.59 #peak 1088
A12 LEU HG A16 ASP H 4.11 #peak 1089
A10 ALA QB A11 LEU H 3.09 #peak 1090
A9 LYS H A9 LYS HG2 5.28 #peak 1093
A9 LYS H A9 LYS HG3 5.28 #peak 1093
A36 ILE H A36 ILE HG13 3.70 #peak 1100
A36 ILE H A36 ILE QD1 3.77 #peak 1108
A27 LEU H A27 LEU QQD 3.99 #peak 1109
A18 LEU QQD A20 SER H 5.18 #peak 1112
A39 LEU H A39 LEU QD1 5.34 #peak 1114
A39 LEU H A39 LEU QD2 5.34 #peak 1114
A39 LEU H A40 VAL QG2 5.46 #peak 1114
A40 VAL QG1 A41 SER H 4.13 #peak 1115
A40 VAL QG2 A41 SER H 4.49 #peak 1115
A40 VAL H A40 VAL QG2 2.88 #peak 1116
A12 LEU H A12 LEU QQD 3.13 #peak 1117
A15 LEU H A15 LEU QQD 3.33 #peak 1118
A12 LEU QQD A16 ASP H 4.42 #peak 1120
A15 LEU QQD A16 ASP H 4.72 #peak 1120
A30 ILE H A30 ILE QD1 4.12 #peak 1124
A33 ALA H A34 LEU QD1 4.96 #peak 1126
A30 ILE QG2 A31 ASP H 3.41 #peak 1128
A34 LEU H A34 LEU QD2 3.36 #peak 1131
A34 LEU QD2 A35 GLY H 3.82 #peak 1132
A39 LEU H A39 LEU HB3 3.28 #peak 1209
A6 ASN H A6 ASN QB 3.61 #peak 947
A6 ASN H A6 ASN QD2 4.04 #peak 589
A9 LYS H A9 LYS QG 4.46 #peak 1093
A10 ALA HA A13 ASP QB 3.69 #peak 313
A11 LEU H A11 LEU QQD 4.31 #peak 1122
A12 LEU H A12 LEU QB 2.94 #peak 1085
A12 LEU QB A13 ASP H 4.16 #peak 1092
A12 LEU QB A16 ASP H 4.87 #peak 1065
A13 ASP H A13 ASP QB 3.51 #peak 305
A13 ASP QB A14 GLN H 3.13 #peak 945
A15 LEU H A15 LEU QB 2.85 #peak 1034
A15 LEU QB A16 ASP H 4.11 #peak 1031
A17 SER H A17 SER QB 2.83 #peak 908
A17 SER H A18 LEU QB 4.80 #peak 1052
A17 SER QB A18 LEU QB 4.32 #peak 25
A18 LEU QB A19 LEU H 3.93 #peak 27
A18 LEU QQD A21 SER QB 4.73 #peak 108
A20 SER H A20 SER QB 2.77 #peak 904
A21 SER H A21 SER QB 3.23 #peak 903
A22 THR HA A23 ASP QB 4.93 #peak 5
A23 ASP H A23 ASP QB 2.82 #peak 952
A23 ASP HA A24 GLU QB 4.52 #peak 281
A23 ASP QB A24 GLU H 3.96 #peak 953
A23 ASP QB A25 MET H 3.55 #peak 959
A23 ASP QB A26 GLU H 3.89 #peak 957
A24 GLU H A24 GLU QB 3.14 #peak 1022
A25 MET H A25 MET QG 3.98 #peak 411
A25 MET QG A29 GLU QB 4.01 #peak 419
A31 ASP H A32 ARG QG 4.25 #peak 1211
A32 ARG H A32 ARG QG 3.42 #peak 1079
A32 ARG H A32 ARG QD 4.66 #peak 349
A32 ARG HA A32 ARG QD 4.46 #peak 340
A34 LEU QD2 A36 ILE QG1 4.86 #peak 184
A35 GLY H A36 ILE QG1 4.63 #peak 1073
A36 ILE H A36 ILE QG1 2.99 #peak 1077
A36 ILE QG2 A36 ILE QG1 3.38 #peak 165
A38 LYS H A38 LYS QB 3.10 #peak 1066
A38 LYS H A38 LYS QG 3.52 #peak 1096
A39 LEU H A39 LEU QQD 4.49 #peak 1114
A39 LEU HA A39 LEU QQD 3.77 #peak 51
A41 SER H A41 SER QB 3.06 #peak 915
A41 SER QB A42 GLN H 4.06 #peak 914
B42 ILE H B43 LYS H 3.38 #peak 7
B14 THR H B15 LEU H 3.38 #peak 13
B15 LEU H B16 ARG H 3.59 #peak 14
B32 LYS H B33 SER H 3.19 #peak 20
B40 ALA H B41 PHE H 3.11 #peak 21
B10 ASP H B11 LEU H 3.20 #peak 29
B38 MET H B39 ALA H 3.31 #peak 36
B29 ASN H B30 ILE H 3.35 #peak 49
B27 VAL H B29 ASN H 4.71 #peak 51
B20 SER H B23 GLN H 4.57 #peak 65
B45 ARG H B46 ALA H 3.34 #peak 84
B31 LEU H B32 LYS H 3.44 #peak 98
B31 LEU H B33 SER H 4.46 #peak 99
B10 ASP H B13 ARG H 4.68 #peak 116
B23 GLN H B24 GLN H 3.30 #peak 117
B12 LEU H B13 ARG H 3.32 #peak 118
B28 LEU H B29 ASN H 3.21 #peak 145
B8 LEU H B9 GLN H 3.42 #peak 225
B40 ALA H B42 ILE H 4.47 #peak 228
B29 ASN H B29 ASN HD21 4.50 #peak 229
B47 ALA H B48 LYS H 3.16 #peak 295
B33 SER H B34 ASN H 3.03 #peak 321
B41 PHE H B41 PHE QD 4.16 #peak 340
B41 PHE QD B42 ILE H 4.03 #peak 341
B33 SER H B34 ASN HA 5.14 #peak 405
B2 SER HA B3 ILE H 3.31 #peak 444
B49 TYR HA B50 GLN H 3.48 #peak 445
B6 ASN HA B9 GLN H 4.01 #peak 451
B10 ASP HA B13 ARG H 4.08 #peak 455
B10 ASP HA B14 THR H 4.56 #peak 456
B21 PRO HA B23 GLN H 4.60 #peak 459
B29 ASN HA B32 LYS H 4.01 #peak 461
B7 ALA HA B10 ASP H 3.73 #peak 475
B7 ALA HA B9 GLN H 4.28 #peak 477
B47 ALA HA B50 GLN H 3.38 #peak 485
B14 THR HB B15 LEU H 3.76 #peak 486
B26 GLN HA B30 ILE H 5.08 #peak 487
B14 THR H B14 THR HB 3.22 #peak 491
B26 GLN HA B29 ASN H 3.60 #peak 495
B33 SER H B33 SER QB 2.96 #peak 518
B32 LYS HA B34 ASN H 3.91 #peak 530
B17 SER H B17 SER HB2 3.69 #peak 531
B25 GLN HA B28 LEU H 4.04 #peak 534
B38 MET HA B40 ALA H 5.05 #peak 540
B38 MET HA B42 ILE H 4.35 #peak 542
B1 GLY QA B3 ILE H 4.62 #peak 543
B2 SER QB B3 ILE H 4.75 #peak 543
B41 PHE HA B45 ARG H 4.75 #peak 545
B28 LEU HA B31 LEU H 3.79 #peak 547
B23 GLN HA B25 GLN H 3.90 #peak 550
B30 ILE HA B33 SER H 3.96 #peak 555
B40 ALA H B41 PHE HB2 5.15 #peak 561
B41 PHE H B41 PHE HB2 3.14 #peak 562
B49 TYR HB2 B50 GLN H 4.44 #peak 563
B27 VAL HA B30 ILE H 4.14 #peak 564
B49 TYR H B49 TYR HB2 3.54 #peak 567
B40 ALA H B41 PHE HB3 5.15 #peak 571
B41 PHE H B41 PHE HB3 3.14 #peak 573
B10 ASP HB2 B11 LEU H 3.71 #peak 581
B6 ASN QB B7 ALA H 4.01 #peak 582
B34 ASN HB2 B37 LEU H 5.05 #peak 583
B10 ASP H B10 ASP HB2 3.02 #peak 585
B9 GLN H B10 ASP HB2 4.82 #peak 586
B34 ASN H B34 ASN HB2 3.34 #peak 591
B49 TYR H B49 TYR HB3 3.54 #peak 593
B49 TYR HB3 B50 GLN H 4.44 #peak 594
B10 ASP HB3 B11 LEU H 3.93 #peak 600
B10 ASP H B10 ASP HB3 3.68 #peak 601
B23 GLN H B23 GLN HG2 3.24 #peak 602
B24 GLN H B24 GLN QG 3.19 #peak 605
B34 ASN H B34 ASN HB3 3.58 #peak 607
B34 ASN HB3 B37 LEU H 3.84 #peak 612
B9 GLN H B9 GLN QG 3.19 #peak 617
B25 GLN H B25 GLN QG 3.26 #peak 618
B44 GLN QG B45 ARG H 3.78 #peak 628
B44 GLN H B44 GLN QG 4.08 #peak 630
B50 GLN H B50 GLN QG 3.56 #peak 634
B49 TYR H B50 GLN QG 4.49 #peak 635
B27 VAL H B27 VAL HB 2.82 #peak 642
B27 VAL HB B28 LEU H 3.14 #peak 645
B23 GLN H B23 GLN HG3 3.24 #peak 648
B11 LEU H B11 LEU HB2 3.95 #peak 653
B25 GLN H B25 GLN QB 2.70 #peak 655
B25 GLN QB B26 GLN H 2.84 #peak 658
B9 GLN QB B10 ASP H 3.10 #peak 661
B9 GLN H B9 GLN QB 2.93 #peak 665
B50 GLN H B50 GLN HB3 3.93 #peak 667
B8 LEU H B9 GLN QB 4.98 #peak 670
B24 GLN H B24 GLN QB 3.06 #peak 674
B21 PRO QB B22 GLN H 3.66 #peak 676
B34 ASN H B38 MET QE 5.17 #peak 677
B38 MET QE B46 ALA H 5.21 #peak 680
B15 LEU H B15 LEU HB2 3.70 #peak 682
B42 ILE H B42 ILE HB 2.82 #peak 684
B13 ARG QB B14 THR H 3.24 #peak 687
B50 GLN H B50 GLN HB2 3.93 #peak 689
B37 LEU H B37 LEU HB2 3.35 #peak 690
B40 ALA H B42 ILE HB 5.02 #peak 691
B37 LEU HB3 B41 PHE H 4.83 #peak 692
B41 PHE H B42 ILE HB 5.30 #peak 692
B43 LYS H B43 LYS QB 2.61 #peak 696
B37 LEU HB3 B38 MET H 3.63 #peak 697
B37 LEU HB2 B38 MET H 3.83 #peak 697
B13 ARG H B13 ARG QB 2.71 #peak 698
B44 GLN H B44 GLN HB3 3.35 #peak 701
B30 ILE H B30 ILE HB 2.78 #peak 703
B32 LYS HB3 B34 ASN H 5.50 #peak 706
B32 LYS HB2 B34 ASN H 5.50 #peak 706
B34 ASN H B38 MET HB3 5.50 #peak 706
B32 LYS H B32 LYS HB2 2.82 #peak 708
B32 LYS HB2 B33 SER H 3.30 #peak 709
B27 VAL H B28 LEU HB2 5.50 #peak 711
B27 VAL H B30 ILE HB 5.50 #peak 711
B28 LEU HB2 B29 ASN H 3.17 #peak 712
B3 ILE H B3 ILE HB 3.97 #peak 717
B16 ARG H B16 ARG HB2 3.53 #peak 725
B27 VAL H B28 LEU HG 4.76 #peak 726
B11 LEU H B11 LEU HB3 3.95 #peak 728
B11 LEU H B11 LEU HG 4.29 #peak 728
B10 ASP H B13 ARG QG 5.50 #peak 731
B34 ASN H B38 MET HB2 4.34 #peak 732
B8 LEU H B8 LEU HB3 3.71 #peak 733
B38 MET H B38 MET HB2 3.35 #peak 735
B37 LEU H B37 LEU HG 3.67 #peak 738
B15 LEU H B15 LEU HB3 3.70 #peak 749
B40 ALA H B40 ALA QB 2.57 #peak 751
B40 ALA QB B41 PHE H 3.18 #peak 752
B40 ALA QB B42 ILE H 4.49 #peak 754
B46 ALA H B46 ALA QB 2.74 #peak 755
B12 LEU HB3 B13 ARG H 4.45 #peak 757
B47 ALA QB B50 GLN H 4.47 #peak 758
B12 LEU H B12 LEU HB3 4.12 #peak 759
B39 ALA H B39 ALA QB 2.84 #peak 760
B47 ALA H B47 ALA QB 2.67 #peak 761
B28 LEU H B28 LEU HB3 3.67 #peak 762
B44 GLN H B47 ALA QB 4.60 #peak 763
B28 LEU HB3 B29 ASN H 3.74 #peak 764
B7 ALA QB B11 LEU H 4.82 #peak 765
B7 ALA QB B10 ASP H 4.65 #peak 766
B7 ALA QB B8 LEU H 3.56 #peak 767
B7 ALA H B7 ALA QB 3.34 #peak 769
B14 THR QG2 B15 LEU H 4.40 #peak 775
B14 THR QG2 B27 VAL H 4.53 #peak 776
B48 LYS QG B49 TYR H 4.15 #peak 781
B48 LYS H B48 LYS QG 3.17 #peak 782
B42 ILE H B42 ILE QG1 3.52 #peak 783
B42 ILE QG1 B43 LYS H 4.82 #peak 784
B26 GLN H B27 VAL QG2 4.37 #peak 786
B27 VAL H B27 VAL QG2 2.93 #peak 787
B42 ILE QG2 B47 ALA H 5.06 #peak 790
B42 ILE H B42 ILE QG2 3.38 #peak 791
B42 ILE QG2 B46 ALA H 4.03 #peak 793
B42 ILE QG2 B43 LYS H 3.45 #peak 794
B42 ILE QG2 B44 GLN H 4.68 #peak 796
B37 LEU QD2 B38 MET H 4.66 #peak 797
B37 LEU QD2 B41 PHE H 3.59 #peak 804
B12 LEU H B12 LEU QQD 3.19 #peak 805
B9 GLN H B12 LEU QQD 4.00 #peak 807
B30 ILE H B30 ILE QG2 3.71 #peak 814
B37 LEU H B37 LEU QD2 4.45 #peak 815
B37 LEU QD2 B40 ALA H 4.54 #peak 816
B30 ILE QG2 B31 LEU H 3.41 #peak 818
B12 LEU QQD B13 ARG H 3.86 #peak 820
B30 ILE QG2 B32 LYS H 4.70 #peak 822
B30 ILE QG2 B34 ASN H 4.08 #peak 824
B28 LEU H B28 LEU QD1 3.35 #peak 825
B28 LEU QD1 B29 ASN H 4.10 #peak 826
B30 ILE QG2 B33 SER H 4.21 #peak 827
B26 GLN H B28 LEU QD1 4.93 #peak 828
B25 GLN H B28 LEU QD1 4.54 #peak 829
B27 VAL H B27 VAL QG1 3.90 #peak 830
B27 VAL QG1 B28 LEU H 3.69 #peak 831
B31 LEU QD1 B45 ARG H 4.84 #peak 833
B31 LEU H B31 LEU QD1 3.79 #peak 834
B31 LEU QD2 B32 LYS H 5.09 #peak 835
B31 LEU H B31 LEU QD2 3.79 #peak 836
B16 ARG H B16 ARG HB3 3.53 #peak 837
B47 ALA QB B48 LYS H 3.11 #peak 839
B44 GLN H B44 GLN HB2 3.35 #peak 840
B8 LEU H B8 LEU HB2 3.71 #peak 842
B22 GLN HA B25 GLN H 3.93 #peak 843
B27 VAL H B28 LEU H 3.32 #peak 844
B13 ARG H B13 ARG QG 4.10 #peak 845
B17 SER H B17 SER HB3 3.69 #peak 846
B41 PHE H B42 ILE H 2.92 #peak 847
B24 GLN H B25 GLN H 3.82 #peak 850
B30 ILE H B30 ILE QD1 4.25 #peak 851
B31 LEU H B31 LEU HG 2.93 #peak 855
B37 LEU H B37 LEU QD1 4.10 #peak 856
B10 ASP HA B13 ARG QB 3.64 #peak 10
B37 LEU HA B40 ALA H 4.18 #peak 15
B37 LEU HA B37 LEU HG 3.36 #peak 17
B37 LEU HA B40 ALA QB 4.16 #peak 18
B37 LEU HA B37 LEU QD1 3.80 #peak 19
B37 LEU HA B37 LEU QD2 3.07 #peak 20
B38 MET HA B42 ILE HB 4.49 #peak 24
B38 MET HA B39 ALA QB 5.07 #peak 26
B38 MET HA B41 PHE H 5.22 #peak 30
B48 LYS HA B48 LYS QG 3.91 #peak 35
B7 ALA HA B11 LEU H 4.91 #peak 48
B7 ALA HA B10 ASP HB2 3.68 #peak 49
B7 ALA HA B10 ASP HB3 4.79 #peak 50
B6 ASN HA B9 GLN QG 4.51 #peak 59
B6 ASN HA B9 GLN QB 3.68 #peak 60
B40 ALA HA B43 LYS H 4.03 #peak 77
B40 ALA HA B42 ILE H 4.34 #peak 79
B40 ALA HA B42 ILE QG2 4.55 #peak 82
B28 LEU HA B28 LEU HG 4.00 #peak 89
B28 LEU HA B31 LEU HG 4.14 #peak 89
B28 LEU HA B28 LEU QD1 3.97 #peak 91
B27 VAL QG1 B28 LEU HA 4.44 #peak 92
B28 LEU HA B31 LEU QD2 4.07 #peak 93
B27 VAL HA B30 ILE HB 4.02 #peak 106
B14 THR QG2 B27 VAL HA 4.49 #peak 107
B27 VAL HA B27 VAL QG2 3.35 #peak 108
B14 THR HB B27 VAL QG2 3.99 #peak 115
B14 THR HA B16 ARG H 4.61 #peak 120
B13 ARG QB B14 THR HA 5.20 #peak 121
B41 PHE H B42 ILE HA 5.37 #peak 124
B41 PHE QD B42 ILE HA 4.68 #peak 127
B42 ILE HA B42 ILE QG1 3.99 #peak 131
B42 ILE HA B42 ILE QG2 3.28 #peak 132
B30 ILE HA B33 SER QB 4.18 #peak 134
B30 ILE HA B34 ASN H 5.25 #peak 135
B30 ILE HA B30 ILE QG2 3.56 #peak 140
B30 ILE HA B30 ILE QG1 3.85 #peak 141
B30 ILE HA B30 ILE QD1 4.12 #peak 142
B5 PRO HA B8 LEU H 5.24 #peak 161
B33 SER QB B34 ASN H 4.37 #peak 173
B40 ALA QB B41 PHE HA 4.76 #peak 207
B37 LEU QD2 B41 PHE HA 4.42 #peak 208
B41 PHE HA B44 GLN H 4.51 #peak 211
B41 PHE HA B41 PHE QD 4.11 #peak 213
B42 ILE QG2 B43 LYS HA 3.90 #peak 227
B9 GLN HA B9 GLN QB 2.97 #peak 236
B9 GLN HA B12 LEU HB3 5.25 #peak 237
B31 LEU QD1 B45 ARG HA 4.28 #peak 249
B32 LYS HB3 B33 SER HA 5.42 #peak 255
B32 LYS HB2 B33 SER HA 5.50 #peak 255
B22 GLN HA B25 GLN QG 4.47 #peak 259
B26 GLN HA B29 ASN HB2 4.40 #peak 264
B3 ILE HA B4 PRO HD3 3.54 #peak 267
B3 ILE HA B4 PRO HD2 3.54 #peak 268
B3 ILE HA B3 ILE QG2 3.38 #peak 274
B30 ILE QG2 B31 LEU HA 3.05 #peak 283
B31 LEU HA B31 LEU QD1 3.95 #peak 284
B31 LEU HA B31 LEU QD2 4.83 #peak 285
B25 GLN HA B25 GLN QG 3.71 #peak 291
B12 LEU HA B12 LEU HG 3.70 #peak 292
B12 LEU HA B12 LEU QQD 3.43 #peak 294
B50 GLN HA B50 GLN QG 3.98 #peak 318
B15 LEU HA B15 LEU QD1 4.29 #peak 326
B15 LEU HA B15 LEU QD2 4.29 #peak 326
B16 ARG HA B16 ARG QD 4.42 #peak 332
B16 ARG HA B16 ARG QG 3.42 #peak 334
B4 PRO QB B5 PRO HD2 3.76 #peak 353
B4 PRO QB B5 PRO HD3 3.76 #peak 354
B48 LYS HB2 B49 TYR H 4.96 #peak 363
B48 LYS HB3 B49 TYR H 4.96 #peak 364
B28 LEU H B28 LEU HG 3.72 #peak 398
B27 VAL HB B28 LEU HG 4.59 #peak 401
B12 LEU H B12 LEU HG 3.83 #peak 404
B9 GLN HA B12 LEU HG 4.44 #peak 405
B9 GLN QB B12 LEU HG 4.26 #peak 408
B27 VAL HB B28 LEU HA 4.47 #peak 418
B14 THR QG2 B27 VAL HB 4.91 #peak 425
B43 LYS QB B44 GLN H 3.99 #peak 430
B40 ALA HA B43 LYS QB 4.41 #peak 432
B29 ASN HA B32 LYS HB2 4.50 #peak 440
B38 MET QE B42 ILE QG1 3.55 #peak 466
B42 ILE QG2 B42 ILE QG1 3.73 #peak 477
B42 ILE QG2 B46 ALA HA 5.12 #peak 482
B41 PHE QD B42 ILE QG2 5.50 #peak 483
B38 MET QE B42 ILE QD1 3.60 #peak 487
B42 ILE HA B42 ILE QD1 4.66 #peak 490
B42 ILE QD1 B46 ALA HA 4.85 #peak 491
B42 ILE H B42 ILE QD1 4.50 #peak 492
B3 ILE HB B3 ILE QD1 3.84 #peak 498
B3 ILE QD1 B4 PRO QB 5.06 #peak 499
B3 ILE QD1 B5 PRO HA 4.47 #peak 500
B14 THR QG2 B30 ILE QD1 4.44 #peak 503
B11 LEU HG B30 ILE QD1 5.13 #peak 504
B10 ASP HB3 B30 ILE QD1 4.83 #peak 507
B30 ILE QD1 B34 ASN HB2 5.50 #peak 508
B27 VAL HA B30 ILE QD1 4.14 #peak 509
B11 LEU HA B30 ILE QD1 3.84 #peak 511
B14 THR HB B30 ILE QD1 4.37 #peak 512
B14 THR H B30 ILE QD1 4.83 #peak 513
B11 LEU H B30 ILE QD1 4.70 #peak 514
B3 ILE QG2 B3 ILE HG12 4.19 #peak 516
B3 ILE QG2 B3 ILE HG13 4.19 #peak 516
B3 ILE QG2 B4 PRO HD2 4.35 #peak 518
B3 ILE QG2 B4 PRO HD3 4.35 #peak 519
B11 LEU HA B30 ILE QG2 4.35 #peak 527
B12 LEU H B30 ILE QG2 4.43 #peak 531
B27 VAL QG1 B31 LEU QD2 4.22 #peak 534
B27 VAL QG1 B31 LEU HG 3.96 #peak 535
B27 VAL HA B27 VAL QG1 3.84 #peak 537
B39 ALA QB B42 ILE HB 5.26 #peak 565
B43 LYS QB B47 ALA QB 5.50 #peak 565
B37 LEU QD2 B40 ALA QB 3.66 #peak 580
B32 LYS HA B38 MET QE 3.51 #peak 582
B38 MET QE B46 ALA HA 5.50 #peak 584
B14 THR QG2 B27 VAL QG2 3.59 #peak 593
B14 THR HA B14 THR QG2 3.47 #peak 597
B14 THR H B14 THR QG2 3.84 #peak 599
B30 ILE H B30 ILE QG1 4.45 #peak 603
B10 ASP HB2 B30 ILE QD1 5.50 #peak 618
B6 ASN QB B9 GLN QB 4.96 #peak 653
B26 GLN HA B29 ASN HB3 4.40 #peak 663
B29 ASN HB2 B30 ILE H 4.40 #peak 667
B29 ASN HB3 B30 ILE H 4.40 #peak 668
B29 ASN H B29 ASN HB3 4.02 #peak 669
B29 ASN H B29 ASN HB2 4.02 #peak 670
B28 LEU H B28 LEU HB2 4.15 #peak 676
B28 LEU HB3 B28 LEU QD1 3.69 #peak 682
B28 LEU HB2 B28 LEU QD1 3.65 #peak 683
B30 ILE HB B30 ILE QD1 3.70 #peak 704
B42 ILE HB B46 ALA QB 4.74 #peak 709
B42 ILE HB B43 LYS H 4.12 #peak 715
B12 LEU HB3 B12 LEU QQD 3.76 #peak 720
B12 LEU H B12 LEU HB2 4.12 #peak 723
B12 LEU HB2 B13 ARG H 4.45 #peak 724
B9 GLN HA B12 LEU HB2 5.25 #peak 726
B12 LEU HB2 B12 LEU QQD 3.76 #peak 730
B37 LEU HB3 B37 LEU QD2 4.11 #peak 730
B34 ASN HB2 B37 LEU HB2 5.05 #peak 735
B34 ASN HB3 B37 LEU HB2 5.04 #peak 736
B30 ILE QG2 B34 ASN HB3 4.65 #peak 737
B30 ILE QG2 B34 ASN HB2 4.36 #peak 738
B12 LEU H B34 ASN HB2 4.71 #peak 743
B12 LEU H B34 ASN HB3 5.50 #peak 744
B12 LEU H B34 ASN HA 5.50 #peak 754
B34 ASN HA B35 PRO HD2 4.00 #peak 755
B34 ASN HA B35 PRO HD3 4.00 #peak 760
B34 ASN HA B35 PRO QG 4.46 #peak 768
B47 ALA HA B49 TYR H 4.46 #peak 774
B47 ALA HA B50 GLN QG 4.11 #peak 778
B30 ILE QG2 B31 LEU QD2 3.64 #peak 787
B31 LEU QD2 B45 ARG HA 5.50 #peak 791
B3 ILE H B3 ILE QG1 3.45 #peak 849
B3 ILE HA B4 PRO QD 2.99 #peak 267
B3 ILE QG2 B4 PRO QD 3.75 #peak 518
B4 PRO QB B5 PRO QD 3.30 #peak 353
B5 PRO HA B8 LEU QB 5.02 #peak 166
B5 PRO QB B7 ALA H 4.14 #peak 681
B5 PRO QB B7 ALA QB 4.24 #peak 559
B7 ALA H B11 LEU QQD 5.23 #peak 813
B7 ALA HA B11 LEU QQD 3.96 #peak 52
B7 ALA QB B11 LEU QQD 3.47 #peak 560
B8 LEU H B8 LEU QB 2.99 #peak 733
B8 LEU H B11 LEU QQD 4.30 #peak 806
B8 LEU HA B11 LEU QB 4.64 #peak 692
B8 LEU QB B9 GLN H 3.39 #peak 734
B8 LEU QB B10 ASP H 5.29 #peak 731
B9 GLN HA B12 LEU QB 4.41 #peak 237
B10 ASP H B11 LEU QQD 4.04 #peak 817
B10 ASP HB2 B11 LEU QQD 4.89 #peak 619
B10 ASP HB3 B11 LEU QQD 4.71 #peak 617
B11 LEU H B11 LEU QB 3.15 #peak 653
B11 LEU H B11 LEU QQD 3.34 #peak 802
B11 LEU QB B12 LEU H 3.14 #peak 650
B11 LEU QB B30 ILE QG2 3.62 #peak 524
B11 LEU QB B30 ILE QD1 4.66 #peak 504
B11 LEU QB B34 ASN HA 4.40 #peak 769
B12 LEU H B12 LEU QB 3.26 #peak 759
B12 LEU QB B13 ARG H 3.85 #peak 757
B14 THR H B15 LEU QQD 4.98 #peak 798
B15 LEU H B15 LEU QB 3.08 #peak 682
B15 LEU H B15 LEU QQD 3.48 #peak 803
B15 LEU HA B15 LEU QQD 3.70 #peak 326
B15 LEU QQD B16 ARG H 3.89 #peak 808
B15 LEU QQD B16 ARG HA 4.27 #peak 336
B16 ARG H B16 ARG QB 2.95 #peak 725
B16 ARG QB B17 SER H 3.99 #peak 713
B17 SER H B17 SER QB 3.02 #peak 846
B19 SER QB B23 GLN H 4.52 #peak 508
B20 SER H B20 SER QB 3.16 #peak 481
B20 SER H B23 GLN QG 4.54 #peak 447
B22 GLN H B22 GLN QB 3.68 #peak 676
B22 GLN H B22 GLN QG 3.93 #peak 613
B22 GLN HA B22 GLN QG 3.66 #peak 259
B23 GLN H B23 GLN QB 3.12 #peak 683
B23 GLN H B23 GLN QG 2.67 #peak 648
B23 GLN HA B23 GLN QG 3.08 #peak 100
B26 GLN H B26 GLN QB 2.85 #peak 639
B26 GLN HA B29 ASN QB 3.59 #peak 264
B29 ASN H B29 ASN QB 3.46 #peak 669
B29 ASN QB B30 ILE H 3.83 #peak 668
B31 LEU H B31 LEU QB 3.35 #peak 780
B32 LYS H B32 LYS QG 3.11 #peak 742
B32 LYS HA B32 LYS QG 3.53 #peak 219
B32 LYS QG B33 SER H 4.41 #peak 743
B32 LYS QG B38 MET QE 3.99 #peak 591
B32 LYS QE B38 MET QE 4.94 #peak 587
B33 SER HA B35 PRO QD 4.62 #peak 254
B34 ASN H B35 PRO QD 4.01 #peak 554
B34 ASN HA B35 PRO QD 3.20 #peak 755
B38 MET HA B41 PHE QB 4.25 #peak 638
B39 ALA H B41 PHE QB 4.93 #peak 570
B40 ALA H B41 PHE QB 4.34 #peak 561
B41 PHE HA B44 GLN QB 4.46 #peak 205
B41 PHE QB B42 ILE H 3.67 #peak 574
B43 LYS H B43 LYS QG 4.68 #peak 371
B43 LYS HA B43 LYS QG 3.42 #peak 225
B43 LYS QB B43 LYS QD 3.61 #peak 434
B44 GLN H B44 GLN QB 2.71 #peak 701
B45 ARG HA B45 ARG QD 3.95 #peak 243
B47 ALA HA B50 GLN QB 4.26 #peak 777
B47 ALA QB B50 GLN QB 5.34 #peak 565
B49 TYR H B49 TYR QB 2.97 #peak 593
B50 GLN H B50 GLN QB 3.07 #peak 689
A43 GLN QB B36 GLN H 5.01
A36 ILE QG1 B42 ILE H 5.29
A19 LEU HG B46 ALA H 5.50
A27 LEU QQD B44 GLN H 5.50
A43 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 ARG 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 LEU H 6.00
A8 GLU QB B8 LEU H 6.00
A11 LEU QQD B9 GLN H 6.00
A11 LEU QB B9 GLN H 6.00
A11 LEU QQD B3 ILE H 6.00
A7 ASP QB B3 ILE H 6.00
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