NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type |
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|
632559 |
6es6   |
34188 | cing | 2-parsed | STAR | dipolar coupling |
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_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_
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