NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_dress | stage | program | type |
31319 | 1e5b | 4623 | cing | dress | 2-parsed | STAR | comment |
data_1e5b_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_1e5b _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_1e5b 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_1e5b _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 1e5b "Master copy" parsed_1e5b stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_1e5b _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 1e5b.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1e5b 1 1 1e5b.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1e5b 1 1 1e5b.mr . . XPLOR/CNS 3 distance NOE simple 0 parsed_1e5b 1 1 1e5b.mr . . XPLOR/CNS 4 distance NOE simple 0 parsed_1e5b 1 1 1e5b.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 0 parsed_1e5b 1 1 1e5b.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1e5b 1 1 1e5b.mr . . XPLOR/CNS 7 distance NOE ambi 0 parsed_1e5b 1 1 1e5b.mr . . n/a 8 comment "Not applicable" "Not applicable" 0 parsed_1e5b 1 1 1e5b.mr . . XPLOR/CNS 9 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1e5b 1 1 1e5b.mr . . n/a 10 comment "Not applicable" "Not applicable" 0 parsed_1e5b 1 1 1e5b.mr . . XPLOR/CNS 11 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1e5b 1 1 1e5b.mr . . n/a 12 comment "Not applicable" "Not applicable" 0 parsed_1e5b 1 1 1e5b.mr . . "MR format" 13 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1e5b 1 stop_ save_ save_MR_file_comment_2 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID parsed_1e5b _Org_constr_file_comment.ID 1 _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 ; !Complete list of all XPLOR constraints used for R262G calculations ! Order of file is: NOEs (including Hbond constraints near the end); ! then ambiguous NOEs; then dihedral restraints. !V269nh - S269ha constraint changed after 29jun99 run! (to S268ha) !New constraints added after 29jun99 run from stereoassignments only. ! removed duplicated constraint t303nh - r302hb1 ! H-bonds from XBD secondary structure added as is clearly identical from ! first round of structure calculations ! !Some adjustments made after looking at 3D - some corrections made after !found 2D signal was actually due to more than one NOE (2-3 corrections) !plus some added when found another NOE in 3D to second member of a stereopair !etc. ! ! 359 constraints added from 3D! ! Changed typo T305hn-T304hn 10p to T305NH-v304HA ! ! Removed NOE E257hn-hb1 as it is completely spurious - can't explain how it got ! in constraints list as it is a) ambiguous and b) the wrong intensity!! !Used for 05aug99 run ! !Added more stereoassignments after and also corrected another typo found !K319 nh-m318bprime 4 and k319 nh-m318b 3 had not been combined for sum !averaging and the second constraint had been written as k319 b+ - m318 b+ ! !Added more constraints 12aug99 from resolved aromatic resonances !and 3D NOESY ! ; save_
Contact the webmaster for help, if required. Sunday, June 16, 2024 1:55:08 PM GMT (wattos1)