Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | program | type |
|
|
31332 | 1e5c RC | 4623 | cing | recoord | dress | 2-parsed | STAR | comment |
data_1e5c_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1e5c
_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_1e5c 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1e5c
_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 1e5c "Master copy" parsed_1e5c
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1e5c
_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 1e5c.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1e5c 1
1 1e5c.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1e5c 1
1 1e5c.mr . . XPLOR/CNS 3 distance NOE simple 0 parsed_1e5c 1
1 1e5c.mr . . XPLOR/CNS 4 distance NOE simple 0 parsed_1e5c 1
1 1e5c.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1e5c 1
1 1e5c.mr . . XPLOR/CNS 6 distance NOE simple 0 parsed_1e5c 1
1 1e5c.mr . . XPLOR/CNS 7 distance "general distance" simple 0 parsed_1e5c 1
1 1e5c.mr . . n/a 8 comment "Not applicable" "Not applicable" 0 parsed_1e5c 1
1 1e5c.mr . . XPLOR/CNS 9 distance NOE ambi 0 parsed_1e5c 1
1 1e5c.mr . . n/a 10 comment "Not applicable" "Not applicable" 0 parsed_1e5c 1
1 1e5c.mr . . XPLOR/CNS 11 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1e5c 1
1 1e5c.mr . . n/a 12 comment "Not applicable" "Not applicable" 0 parsed_1e5c 1
1 1e5c.mr . . "MR format" 13 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1e5c 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_1e5c
_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_