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 ; 2 3 755 36 parsed_6es6 1 stop_ save_
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