NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
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594201 |
2rui   |
11570 | cing | 2-parsed | STAR | distance | hydrogen bond | simple |
data_2rui_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2rui
_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_2rui 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2rui
_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 2rui "Master copy" parsed_2rui
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2rui
_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 2rui.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2rui 1
1 2rui.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 318 parsed_2rui 1
1 2rui.mr . . XPLOR/CNS 3 "chemical shift" "Not applicable" "Not applicable" 0 parsed_2rui 1
1 2rui.mr . . XPLOR/CNS 4 "coupling constant" "Not applicable" "Not applicable" 0 parsed_2rui 1
1 2rui.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 151 parsed_2rui 1
1 2rui.mr . . XPLOR/CNS 6 distance "hydrogen bond" simple 0 parsed_2rui 1
1 2rui.mr . . XPLOR/CNS 7 distance NOE ambi 0 parsed_2rui 1
1 2rui.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2rui 1
stop_
save_
save_CNS/XPLOR_distance_constraints_6
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2rui
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_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 ( acc and resid 29 and name O ) (don and resid 42 and name HN )" 1 1 1 72 parsed_2rui 1
2 "assign ( acc and resid 43 and name O ) (don and resid 57 and name HN )" 2 1 2 72 parsed_2rui 1
3 "assign ( acc and resid 55 and name O ) (don and resid 43 and name HN )" 3 1 3 72 parsed_2rui 1
4 "assign ( acc and resid 147 and name O ) (don and resid 132 and name HN )" 4 1 4 74 parsed_2rui 1
5 "assign ( acc and resid 132 and name O ) (don and resid 147 and name HN )" 5 1 5 74 parsed_2rui 1
6 "assign ( acc and resid 149 and name O ) (don and resid 130 and name HN )" 6 1 6 74 parsed_2rui 1
7 "assign ( acc and resid 130 and name O ) (don and resid 149 and name HN )" 7 1 7 74 parsed_2rui 1
8 "assign ( acc and resid 38 and name O ) (don and resid 33 and name HN )" 8 1 8 72 parsed_2rui 1
9 "assign ( acc and resid 33 and name O ) (don and resid 38 and name HN )" 9 1 9 72 parsed_2rui 1
10 "assign ( acc and resid 31 and name O ) (don and resid 40 and name HN )" 10 1 10 72 parsed_2rui 1
11 "assign ( acc and resid 40 and name O ) (don and resid 31 and name HN )" 11 1 11 72 parsed_2rui 1
12 "assign ( acc and resid 72 and name O ) (don and resid 56 and name HN )" 12 1 12 72 parsed_2rui 1
13 "assign ( acc and resid 56 and name O ) (don and resid 72 and name HN )" 13 1 13 72 parsed_2rui 1
14 "assign ( acc and resid 70 and name O ) (don and resid 58 and name HN )" 14 1 14 72 parsed_2rui 1
15 "assign ( acc and resid 30 and name O ) (don and resid 98 and name HN )" 15 1 15 72 parsed_2rui 1
16 "assign ( acc and resid 98 and name O ) (don and resid 30 and name HN )" 16 1 16 72 parsed_2rui 1
17 "assign ( acc and resid 107 and name O ) (don and resid 150 and name HN )" 17 1 17 74 parsed_2rui 1
18 "assign ( acc and resid 150 and name O ) (don and resid 107 and name HN )" 18 1 18 74 parsed_2rui 1
19 "assign ( acc and resid 32 and name O ) (don and resid 96 and name HN )" 19 1 19 72 parsed_2rui 1
20 "assign ( acc and resid 96 and name O ) (don and resid 32 and name HN )" 20 1 20 72 parsed_2rui 1
21 "assign ( acc and resid 129 and name O ) (don and resid 69 and name HN )" 21 1 21 73 parsed_2rui 1
22 "assign ( acc and resid 69 and name O ) (don and resid 131 and name HN )" 22 1 22 73 parsed_2rui 1
23 "assign ( acc and resid 131 and name O ) (don and resid 71 and name HN )" 23 1 23 73 parsed_2rui 1
24 "assign ( acc and resid 71 and name O ) (don and resid 133 and name HN )" 24 1 24 73 parsed_2rui 1
25 "assign ( acc and resid 133 and name O ) (don and resid 73 and name HN )" 25 1 25 73 parsed_2rui 1
26 "assign ( acc and resid 146 and name O ) (don and resid 112 and name HN )" 26 1 26 74 parsed_2rui 1
27 "assign ( acc and resid 112 and name O ) (don and resid 146 and name HN )" 27 1 27 74 parsed_2rui 1
28 "assign ( acc and resid 110 and name O ) (don and resid 148 and name HN )" 28 1 28 74 parsed_2rui 1
29 "assign ( acc and resid 148 and name O ) (don and resid 109 and name HN )" 29 1 29 74 parsed_2rui 1
30 "assign ( acc and resid 153 and name O ) (don and resid 105 and name HN )" 30 1 30 74 parsed_2rui 1
31 "assign ( acc and resid 105 and name O ) (don and resid 152 and name HN )" 31 1 31 74 parsed_2rui 1
32 "assign ( acc and resid 128 and name O ) (don and resid 151 and name HN )" 32 1 32 74 parsed_2rui 1
33 "assign ( acc and resid 97 and name O ) (don and resid 104 and name HN )" 33 1 33 73 parsed_2rui 1
34 "assign ( acc and resid 104 and name O ) (don and resid 97 and name HN )" 34 1 34 73 parsed_2rui 1
35 "assign ( acc and resid 99 and name O ) (don and resid 102 and name HN )" 35 1 35 73 parsed_2rui 1
36 "assign ( acc and resid 102 and name O ) (don and resid 99 and name HN )" 36 1 36 73 parsed_2rui 1
37 "assign ( acc and resid 95 and name O ) (don and resid 106 and name HN )" 37 1 37 73 parsed_2rui 1
38 "assign ( acc and resid 106 and name O ) (don and resid 95 and name HN )" 38 1 38 73 parsed_2rui 1
39 "assign ( acc and resid 108 and name O ) (don and resid 93 and name HN )" 39 1 39 73 parsed_2rui 1
40 "assign ( acc and resid 93 and name O ) (don and resid 108 and name HN )" 40 1 40 73 parsed_2rui 1
41 "assign ( acc and resid 14 and name O ) (don and resid 18 and name HN )" 42 1 42 72 parsed_2rui 1
42 "assign ( acc and resid 15 and name O ) (don and resid 19 and name HN )" 43 1 43 72 parsed_2rui 1
43 "assign ( acc and resid 50 and name O ) (don and resid 53 and name HN )" 45 1 45 72 parsed_2rui 1
44 "assign ( acc and resid 49 and name O ) (don and resid 52 and name HN )" 46 1 46 72 parsed_2rui 1
45 "assign ( acc and resid 86 and name O ) (don and resid 89 and name HN )" 48 1 48 72 parsed_2rui 1
46 "assign ( acc and resid 85 and name O ) (don and resid 88 and name HN )" 49 1 49 72 parsed_2rui 1
47 "assign ( acc and resid 119 and name O ) (don and resid 122 and name HN )" 51 1 51 74 parsed_2rui 1
stop_
save_
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