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 |
|
|
632549 |
6es5   |
34187 | cing | 2-parsed | STAR | dipolar coupling |
data_6es5_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6es5
_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_6es5 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6es5
_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 6es5 "Master copy" parsed_6es5
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6es5
_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 6es5.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6es5 1
1 6es5.mr . . DYANA/DIANA 2 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_6es5 1
1 6es5.mr . . DYANA/DIANA 3 distance NOE simple 0 parsed_6es5 1
1 6es5.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6es5 1
stop_
save_
save_DYANA/DIANA_dipolar_coupling_2
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_6es5
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 2
_RDC_constraint_list.Details "Generated by Wattos"
loop_
_RDC_constraint_comment_org.ID
_RDC_constraint_comment_org.Comment_text
_RDC_constraint_comment_org.Comment_begin_line
_RDC_constraint_comment_org.Comment_begin_column
_RDC_constraint_comment_org.Comment_end_line
_RDC_constraint_comment_org.Comment_end_column
_RDC_constraint_comment_org.Entry_ID
_RDC_constraint_comment_org.RDC_constraint_list_ID
1 "Restraints file 1: AB.rdc" 1 1 1 27 parsed_6es5 1
2 "Tensor Magnitude Rhombicity Residue" 2 1 2 37 parsed_6es5 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_6es5 1
2
;
2 8.2300 0.6080 L11
#First atom Second atom RDC Error Weight Tensor Scale
A3 GLU N A3 GLU H -0.320 0.500 1.00E+00 1 1.0000
A4 SER N A4 SER H -0.634 0.500 1.00E+00 1 1.0000
A5 GLN N A5 GLN H -0.008 0.500 1.00E+00 1 1.0000
A6 ASN N A6 ASN H 2.273 0.500 1.00E+00 1 1.0000
A7 ASP N A7 ASP H -0.185 0.500 1.00E+00 1 1.0000
A8 GLU N A8 GLU H 0.001 0.500 1.00E+00 1 1.0000
A9 LYS N A9 LYS H 1.488 0.500 1.00E+00 1 1.0000
A10 ALA N A10 ALA H -0.145 0.500 1.00E+00 1 1.0000
A11 LEU N A11 LEU H 0.392 0.500 1.00E+00 1 1.0000
A12 LEU N A12 LEU H 1.234 0.500 1.00E+00 1 1.0000
A13 ASP N A13 ASP H 1.405 0.500 1.00E+00 1 1.0000
A14 GLN N A14 GLN H -0.846 0.500 1.00E+00 1 1.0000
A15 LEU N A15 LEU H 1.221 0.500 1.00E+00 1 1.0000
A16 ASP N A16 ASP H 2.343 0.500 1.00E+00 1 1.0000
A17 SER N A17 SER H 0.331 0.500 1.00E+00 1 1.0000
A18 LEU N A18 LEU H -0.342 0.500 1.00E+00 1 1.0000
A19 LEU N A19 LEU H 1.456 0.500 1.00E+00 1 1.0000
A20 SER N A20 SER H 1.200 0.500 1.00E+00 1 1.0000
A21 SER N A21 SER H -2.645 0.500 1.00E+00 1 1.0000
A22 THR N A22 THR H 2.420 0.500 1.00E+00 1 1.0000
A23 ASP N A23 ASP H -0.742 0.500 1.00E+00 1 1.0000
A24 GLU N A24 GLU H -2.049 0.500 1.00E+00 1 1.0000
A25 MET N A25 MET H 0.028 0.500 1.00E+00 1 1.0000
A26 GLU N A26 GLU H -0.048 0.500 1.00E+00 1 1.0000
A27 LEU N A27 LEU H -2.367 0.500 1.00E+00 1 1.0000
A28 ALA N A28 ALA H -0.561 0.500 1.00E+00 1 1.0000
A29 GLU N A29 GLU H 2.618 0.500 1.00E+00 1 1.0000
A30 ILE N A30 ILE H -0.598 0.500 1.00E+00 1 1.0000
A31 ASP N A31 ASP H -0.826 0.500 1.00E+00 1 1.0000
A32 ARG N A32 ARG H 0.896 0.500 1.00E+00 1 1.0000
A33 ALA N A33 ALA H 1.340 0.500 1.00E+00 1 1.0000
A34 LEU N A34 LEU H -1.620 0.500 1.00E+00 1 1.0000
A35 GLY N A35 GLY H 1.434 0.500 1.00E+00 1 1.0000
A36 ILE N A36 ILE H 1.886 0.500 1.00E+00 1 1.0000
A37 ASP N A37 ASP H 0.238 0.500 1.00E+00 1 1.0000
A38 LYS N A38 LYS H -0.335 0.500 1.00E+00 1 1.0000
A39 LEU N A39 LEU H 0.907 0.500 1.00E+00 1 1.0000
A40 VAL N A40 VAL H 0.467 0.500 1.00E+00 1 1.0000
A41 SER N A41 SER H -0.309 0.500 1.00E+00 1 1.0000
A42 GLN N A42 GLN H -0.411 0.500 1.00E+00 1 1.0000
A43 GLN N A43 GLN H -0.163 0.500 1.00E+00 1 1.0000
A44 GLY N A44 GLY H 0.012 0.500 1.00E+00 1 1.0000
A45 GLY N A45 GLY H -0.079 0.500 1.00E+00 1 1.0000
B3 THR N B3 THR H 2.039 1.000 1.00E+00 2 1.0000
B6 GLN N B6 GLN H -4.622 1.000 1.00E+00 2 1.0000
B7 ALA N B7 ALA H 3.200 1.000 1.00E+00 2 1.0000
B8 LEU N B8 LEU H 0.353 1.000 1.00E+00 2 1.0000
B9 GLN N B9 GLN H -5.249 1.000 1.00E+00 2 1.0000
B10 GLN N B10 GLN H -0.338 1.000 1.00E+00 2 1.0000
B11 LEU N B11 LEU H 4.084 1.000 1.00E+00 2 1.0000
B12 LEU N B12 LEU H -2.644 1.000 1.00E+00 2 1.0000
B13 GLN N B13 GLN H -4.648 1.000 1.00E+00 2 1.0000
B14 THR N B14 THR H 3.834 1.000 1.00E+00 2 1.0000
B15 LEU N B15 LEU H 2.420 1.000 1.00E+00 2 1.0000
B16 LYS N B16 LYS H 4.594 1.000 1.00E+00 2 1.0000
B17 SER N B17 SER H -11.873 1.000 1.00E+00 2 1.0000
B19 SER N B19 SER H -7.941 1.000 1.00E+00 2 1.0000
B20 SER N B20 SER H 6.003 1.000 1.00E+00 2 1.0000
B22 GLN N B22 GLN H 6.830 1.000 1.00E+00 2 1.0000
B23 GLN N B23 GLN H 5.974 1.000 1.00E+00 2 1.0000
B24 GLN N B24 GLN H -0.712 1.000 1.00E+00 2 1.0000
B25 GLN N B25 GLN H 7.962 1.000 1.00E+00 2 1.0000
B26 GLN N B26 GLN H 3.664 1.000 1.00E+00 2 1.0000
B27 VAL N B27 VAL H 1.425 1.000 1.00E+00 2 1.0000
B28 LEU N B28 LEU H 5.675 1.000 1.00E+00 2 1.0000
B29 GLN N B29 GLN H 7.059 1.000 1.00E+00 2 1.0000
B30 ILE N B30 ILE H -0.444 1.000 1.00E+00 2 1.0000
B31 LEU N B31 LEU H 1.765 1.000 1.00E+00 2 1.0000
B32 LYS N B32 LYS H 7.514 1.000 1.00E+00 2 1.0000
B33 SER N B33 SER H 5.724 1.000 1.00E+00 2 1.0000
B34 ASN N B34 ASN H -8.004 1.000 1.00E+00 2 1.0000
B36 GLN N B36 GLN H -13.929 1.000 1.00E+00 2 1.0000
B37 LEU N B37 LEU H -13.986 1.000 1.00E+00 2 1.0000
B38 MET N B38 MET H -12.864 1.000 1.00E+00 2 1.0000
B39 ALA N B39 ALA H -14.944 1.000 1.00E+00 2 1.0000
B40 ALA N B40 ALA H -15.907 1.000 1.00E+00 2 1.0000
B41 PHE N B41 PHE H -15.625 1.000 1.00E+00 2 1.0000
B42 ILE N B42 ILE H -13.776 1.000 1.00E+00 2 1.0000
B43 LYS N B43 LYS H -15.861 1.000 1.00E+00 2 1.0000
B44 GLN N B44 GLN H -15.336 1.000 1.00E+00 2 1.0000
B45 ARG N B45 ARG H -13.937 1.000 1.00E+00 2 1.0000
B46 SER N B46 SER H -10.622 1.000 1.00E+00 2 1.0000
B47 GLN N B47 GLN H -7.322 1.000 1.00E+00 2 1.0000
B48 HIS N B48 HIS H -4.421 1.000 1.00E+00 2 1.0000
B49 GLN N B49 GLN H 0.819 1.000 1.00E+00 2 1.0000
;
4 7 90 73 parsed_6es5 1
stop_
save_
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