NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype |
|
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39078 |
1sls   |
cing | 2-parsed | STAR | entry | full |
data_1sls_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1sls
_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_1sls 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1sls
_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 1sls "Master copy" parsed_1sls
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1sls
_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 1sls.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1sls 1
1 1sls.mr . . "MR format" 2 distance NOE simple 0 parsed_1sls 1
1 1sls.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 parsed_1sls 1
1 1sls.mr . . "MR format" 4 distance NOE simple 0 parsed_1sls 1
1 1sls.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1sls 1
1 1sls.mr . . "MR format" 6 distance "hydrogen bond" simple 0 parsed_1sls 1
1 1sls.mr . . n/a 7 comment "Not applicable" "Not applicable" 0 parsed_1sls 1
1 1sls.mr . . "MR format" 8 peak "Not applicable" "Not applicable" 0 parsed_1sls 1
1 1sls.mr . . n/a 9 comment "Not applicable" "Not applicable" 0 parsed_1sls 1
1 1sls.mr . . "MR format" 10 peak "Not applicable" "Not applicable" 0 parsed_1sls 1
1 1sls.mr . . "MR format" 11 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1sls 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_1sls
_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 DEOXYRIBONUCLEIC ACID 30-SEP-97 1SLS
*TITLE IMMOBILE SLIPPED-LOOP STRUCTURE (SLS) OF DNA HOMODIMER IN
*TITLE 2 SOLUTION, NMR, 9 STRUCTURES
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: OLIGODEOXYRIBONUCLEOTIDE;
*COMPND 3 CHAIN: A, B;
*COMPND 4 ENGINEERED: YES;
*COMPND 5 OTHER_DETAILS: HOMODIMER
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: SEQUENCE DESIGNED TO FORM IMMOBILE SLS
*KEYWDS DEOXYRIBONUCLEIC ACID, DNA OLIGONUCLEOTIDE, HOMODIMER,
*KEYWDS 2 SLIPPED-LOOP STRUCTURE, PSEUDOKNOT, UNUSUAL STRUCTURE
*EXPDTA NMR, 9 STRUCTURES
*AUTHOR N.B.ULYANOV,V.I.IVANOV,E.E.MINYAT,E.B.KHOMYAKOVA,
*AUTHOR 2 M.V.PETROVA,K.LESIAK,T.L.JAMES
*REVDAT 1 08-APR-98 1SLS 0
REMARK
REMARK M7 stands for pseudoatom involving a methyl group
REMARK (protons 1H5M, 2H5M, 3H5M)
REMARK
REMARK Distance bounds are in angstroms. Format for
REMARK
REMARK atom_1, residue_number_1, atom_2, residue_number_2, lower, upper
REMARK
REMARK is ( a4, i3, 1x, a4, i3, 2f8.3 )
REMARK
REMARK (1) Restraints generated by RANDMARDI from NOE intensities
REMARK for nonexchangeable protons.
REMARK
REMARK RANDMARDI was run 50 times with correlation time of 15 ns,
REMARK separately for datasets at 75 and 150 ms. Calculated
REMARK distributions of distances were combined for the two datasets,
REMARK and 10% of distances were discarded from each side of the
REMARK distribution (10% of the shortest and 10% of the longest
REMARK distances). Finally, the distance bounds for symmetric residues
REMARK were combined using Min-Max.
REMARK
REMARK LOWER UPPER
REMARK ATOM 1 ATOM 2 BOUND BOUND
;
save_
save_MR_file_comment_3
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1sls
_Org_constr_file_comment.ID 2
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 3
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
REMARK
REMARK (2) restraints involving nonexchangeable protons
REMARK categorized into three groups
REMARK
REMARK LOWER UPPER
REMARK ATOM 1 ATOM 2 BOUND BOUND
;
save_
save_MR_file_comment_5
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1sls
_Org_constr_file_comment.ID 3
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 5
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
REMARK
REMARK (3) hydrogen bond restraints corresponding to
REMARK observed Watson-Crick base pairs
REMARK
REMARK LOWER UPPER
REMARK ATOM 1 ATOM 2 BOUND BOUND
;
save_
save_MR_file_comment_7
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1sls
_Org_constr_file_comment.ID 4
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 7
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
REMARK
REMARK
REMARK NOE intensities. These data can be use as input for the
REMARK CORMA and MARDIGRAS programs.
REMARK
REMARK Intensities involving H4*, 1H5*, and 2H5* protons are not included here.
REMARK Intensities of diagonal peaks are not included here.
REMARK
REMARK Format for
REMARK
REMARK (atom_1, residue_number_1, atom_2, residue_number_2, intensity, error)
REMARK
REMARK is ( a4, i3, 1x, a4, i3, e16.3, f10.2 )
REMARK
REMARK (1) Integrated NOE intensities for the 75-ms NOESY dataset in D2O
REMARK
REMARK Intensities prepared by the program Homodimer from the Sparky list tool files
REMARK List of intra-strand intensities: m1_intra_75.list
REMARK List of INTER-strand intensities: m1_inter_75.list
MIXING TIME: 0.075
ATOM1 ATOM2 INTENSITY ERROR%
;
save_
save_MR_file_comment_9
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1sls
_Org_constr_file_comment.ID 5
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 9
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
REMARK
REMARK
REMARK (2) Integrated NOE intensities for the 150-ms NOESY dataset in D2O
REMARK
REMARK Intensities prepared by the program Homodimer from the Sparky list tool files
REMARK List of intra-strand intensities: m1_intra.good
REMARK List of INTER-strand intensities: m1_inter_150.list
FTNOTE MIXING TIME: 0.150
FTNOTE ATOM1 ATOM2 INTENSITY ERROR%
;
save_
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