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 | subsubtype |
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282824 |
2krd   |
cing | 2-parsed | STAR | distance | NOE | ambi |
data_2krd_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2krd
_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_2krd 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2krd
_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 2krd "Master copy" parsed_2krd
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2krd
_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 2krd.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2krd 1
1 2krd.mr . . XPLOR/CNS 2 distance NOE simple 15 parsed_2krd 1
1 2krd.mr . . XPLOR/CNS 3 distance NOE ambi 0 parsed_2krd 1
1 2krd.mr . . XPLOR/CNS 4 distance NOE simple 17 parsed_2krd 1
1 2krd.mr . . XPLOR/CNS 5 distance NOE ambi 7 parsed_2krd 1
1 2krd.mr . . XPLOR/CNS 6 distance NOE ambi 0 parsed_2krd 1
1 2krd.mr . . XPLOR/CNS 7 distance NOE ambi 0 parsed_2krd 1
1 2krd.mr . . XPLOR/CNS 8 distance NOE simple 0 parsed_2krd 1
1 2krd.mr . . XPLOR/CNS 9 distance NOE simple 0 parsed_2krd 1
1 2krd.mr . . "MR format" 10 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2krd 1
stop_
save_
save_CNS/XPLOR_distance_constraints_6
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2krd
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 6
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1 "assign (resid 61 and name HG11) (id 1632) 6.00 4.20 0.0" 1 1 1 56 parsed_2krd 1
2 "assign (resid 64 and name HG11) (id 1632) 6.00 4.20 0.0" 2 1 2 56 parsed_2krd 1
3 "assign ((resid 41 and name HD2#) or (resid 57 and name HD2#)) (id 1632) 6.00 4.20 0.00" 3 1 3 87 parsed_2krd 1
4 "assign (resid 48 and name HD2#) ((id 1642) or (id 1634)) 6.00 4.20 0.00" 4 1 4 71 parsed_2krd 1
5 "assign (id 1644) (resid 60 and name HE*) 6.00 4.20 0.00" 5 1 5 56 parsed_2krd 1
6 "assign (id 1642) (resid 64 and name HG1*) 6.00 4.20 0.00" 6 1 6 56 parsed_2krd 1
7 "assign (id 1642) (resid 44 and name HG*) 6.00 4.20 0.00" 7 1 7 55 parsed_2krd 1
8 "assign ((id 1642) or (id 1632)) (resid 60 and name HE*) 6.00 4.20 0.00" 8 1 8 71 parsed_2krd 1
9 "assign (id 1642) (resid 47 and name HE*) 6.00 4.20 0.00" 9 1 9 56 parsed_2krd 1
10 "assign (id 1644) (resid 47 and name HE*) 6.00 4.20 0.00" 10 1 10 56 parsed_2krd 1
11 "assign (id 1642) (resid 81 and name HE*) 6.00 4.20 0.00" 11 1 11 56 parsed_2krd 1
12 "assign (id 1632) (resid 61 and name HD*) 6.00 4.20 0.00" 12 1 12 55 parsed_2krd 1
13 "assign (id 1634) (resid 23 and name HB*) 6.00 4.20 0.00" 13 1 13 55 parsed_2krd 1
14 "assign ((id 1642) or (id 1632)) (resid 61 and name HG2*) 6.00 4.20 0.00" 14 1 14 71 parsed_2krd 1
15 "assign (id 1642) (resid 41 and name HD*) 6.00 4.20 0.00" 15 1 15 56 parsed_2krd 1
16 "assign (id 1632) (resid 72 and name HG2*) 6.00 4.20 0.00" 16 1 16 56 parsed_2krd 1
17 "assign (id 1640) (resid 72 and name HG2*) 6.00 4.20 0.00" 17 1 17 56 parsed_2krd 1
18 "assign (id 1634) (resid 64 and name HG2*) 6.00 4.20 0.00" 18 1 18 56 parsed_2krd 1
19 "assign (id 1644) (resid 64 and name HG2*) 6.00 4.20 0.00" 19 1 19 56 parsed_2krd 1
20 "assign (id 1640) (resid 64 and name HG2*) 6.00 4.20 0.00" 20 1 20 56 parsed_2krd 1
21 "assign (id 1632) (resid 64 and name HG2*) 6.00 4.20 0.00" 21 1 21 56 parsed_2krd 1
22 "assign (id 1632) (resid 36 and name HG2*) 6.00 4.20 0.00" 22 1 22 56 parsed_2krd 1
23 "assign (id 1640) (resid 44 and name HG*) 6.00 4.20 0.00" 23 1 23 55 parsed_2krd 1
24 "assign (id 1640) (resid 81 and name HE*) 6.00 4.20 0.00" 24 1 24 56 parsed_2krd 1
25 "assign (id 1636) (resid 64 and name HG2*) 6.00 4.20 0.00" 25 1 25 56 parsed_2krd 1
26 "assign (id 1636) (resid 60 and name HE*) 6.00 4.20 0.00" 26 1 26 56 parsed_2krd 1
27 "assign (id 1636) (resid 47 and name HE*) 6.00 4.20 0.00" 27 1 27 56 parsed_2krd 1
28 "assign (id 1636) (resid 81 and name HE*) 6.00 4.20 0.00" 28 1 28 56 parsed_2krd 1
stop_
save_
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