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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | program | type | subtype |
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35921 |
1mkl ![]() ![]() |
cing | 2-parsed | STAR | entry | full |
data_1mkl_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_1mkl _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_1mkl 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_1mkl _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 1mkl "Master copy" parsed_1mkl stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_1mkl _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 1mkl.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1mkl 1 1 1mkl.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1mkl 1 1 1mkl.mr . . unknown 3 distance NOE simple 0 parsed_1mkl 1 1 1mkl.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1mkl 1 1 1mkl.mr . . unknown 5 distance NOE simple 0 parsed_1mkl 1 1 1mkl.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1mkl 1 1 1mkl.mr . . unknown 7 distance NOE simple 0 parsed_1mkl 1 1 1mkl.mr . . n/a 8 comment "Not applicable" "Not applicable" 0 parsed_1mkl 1 1 1mkl.mr . . unknown 9 distance "hydrogen bond" simple 0 parsed_1mkl 1 1 1mkl.mr . . n/a 10 comment "Not applicable" "Not applicable" 0 parsed_1mkl 1 1 1mkl.mr . . unknown 11 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1mkl 1 1 1mkl.mr . . n/a 12 comment "Not applicable" "Not applicable" 0 parsed_1mkl 1 1 1mkl.mr . . unknown 13 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1mkl 1 1 1mkl.mr . . "MR format" 14 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1mkl 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_1mkl _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 29-AUG-02 1MKL *TITLE NMR REFINED STRUCTURE OF THE 8,9-DIHYDRO-8-(N7-GUANYL)-9- *TITLE 2 HYDROXY-AFLATOXIN B1 ADDUCT IN A 5'-CPAFBG-3' SEQUENCE *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: 5'-D(*AP*CP*AP*TP*CP*(X)P*AP*TP*CP*T)-3'; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES; *COMPND 5 MOL_ID: 2; *COMPND 6 MOLECULE: 5'-D(*AP*GP*AP*TP*CP*GP*AP*TP*GP*T)-3'; *COMPND 7 CHAIN: B; *COMPND 8 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 MOL_ID: 2; *SOURCE 4 SYNTHETIC: YES *KEYWDS STRUCTURE OF THE 8,9-DIHYDRO-8-(N7-GUANYL)-9-HYDROXY- *KEYWDS 2 AFLATOXIN B1 ADDUCT IN A 5'-CPAFBG-3' SEQUENCE CONTEXT *EXPDTA NMR, MINIMIZED AVERAGE STRUCTURE *AUTHOR I.GIRI, M.D.JENKINS, N.C.SCHNETZ-BOUTAUD, M.P.STONE *REVDAT 1 16-OCT-02 1MKL 0 ; save_ save_MR_file_comment_2 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID parsed_1mkl _Org_constr_file_comment.ID 2 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 2 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment ; Table S1. Best Distance restraints Assign Base Proton Assign Base Proton LB UB ; save_ save_MR_file_comment_4 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID parsed_1mkl _Org_constr_file_comment.ID 3 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 4 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment ; Table S2. Medium Distance restraints Assign Base Proton Assign Base Proton LB UB ; save_ save_MR_file_comment_6 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID parsed_1mkl _Org_constr_file_comment.ID 4 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 6 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment ; Table S3. Poor distance restraints Assign Base Proton Assign Base Proton LB UB ; save_ save_MR_file_comment_8 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID parsed_1mkl _Org_constr_file_comment.ID 5 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 8 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment ; Table S4. Base pair Distance restraints (theoretical distances) Assign Base Proton Assign Base Proton LB UB ; save_ save_MR_file_comment_10 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID parsed_1mkl _Org_constr_file_comment.ID 6 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 10 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment ; Table S5. Sugar pucker angle restraints from DQF-COSY Assign Base Angle LB UB ; save_ save_MR_file_comment_12 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID parsed_1mkl _Org_constr_file_comment.ID 7 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 12 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment ; Table S6. Sugar torsion angle empirical restraints Assign Base Angle LB UB ; save_
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