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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569263 |
2m3t   |
17576 | cing | 2-parsed | STAR | distance | hydrogen bond | simple |
data_2m3t_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2m3t
_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_2m3t 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2m3t
_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 2m3t "Master copy" parsed_2m3t
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2m3t
_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 2m3t.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2m3t 1
1 2m3t.mr . . XPLOR/CNS 2 distance NOE ambi 0 parsed_2m3t 1
1 2m3t.mr . . XPLOR/CNS 3 distance NOE ambi 7371 parsed_2m3t 1
1 2m3t.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 252 parsed_2m3t 1
1 2m3t.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 0 parsed_2m3t 1
1 2m3t.mr . . XPLOR/CNS 6 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2m3t 1
1 2m3t.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2m3t 1
stop_
save_
save_CNS/XPLOR_distance_constraints_5
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2m3t
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 5
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1 "assign ( resid 177 and name N ) ( resid 177 and name HN ) ( resid and name O ) ! noaccept" 52 1 52 94 parsed_2m3t 1
stop_
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 23 and name N ) ( resid 23 and name HN ) ( resid 8 and name O )" 1 2 1 79 parsed_2m3t 1
2 "assign ( resid 33 and name N ) ( resid 33 and name HN ) ( resid 30 and name O )" 2 2 2 80 parsed_2m3t 1
3 "assign ( resid 41 and name N ) ( resid 41 and name HN ) ( resid 9 and name O )" 3 2 3 79 parsed_2m3t 1
4 "assign ( resid 42 and name N ) ( resid 42 and name HN ) ( resid 65 and name O )" 4 2 4 80 parsed_2m3t 1
5 "assign ( resid 49 and name N ) ( resid 49 and name HN ) ( resid 60 and name O )" 5 2 5 80 parsed_2m3t 1
6 "assign ( resid 50 and name N ) ( resid 50 and name HN ) ( resid 82 and name O )" 6 2 6 80 parsed_2m3t 1
7 "assign ( resid 65 and name N ) ( resid 65 and name HN ) ( resid 42 and name O )" 7 2 7 80 parsed_2m3t 1
8 "assign ( resid 67 and name N ) ( resid 67 and name HN ) ( resid 40 and name O )" 8 2 8 80 parsed_2m3t 1
9 "assign ( resid 80 and name N ) ( resid 80 and name HN ) ( resid 37 and name SG )" 10 2 10 81 parsed_2m3t 1
10 "assign ( resid 101 and name N ) ( resid 101 and name HN ) ( resid 105 and name O )" 11 2 11 83 parsed_2m3t 1
11 "assign ( resid 105 and name N ) ( resid 105 and name HN ) ( resid 101 and name O )" 12 2 12 83 parsed_2m3t 1
12 "assign ( resid 113 and name N ) ( resid 113 and name HN ) ( resid 111 and name OG1 )" 13 2 13 85 parsed_2m3t 1
13 "assign ( resid 175 and name N ) ( resid 175 and name HN ) ( resid 114 and name O )" 14 2 14 83 parsed_2m3t 1
14 "assign ( resid 126 and name N ) ( resid 126 and name HN ) ( resid 100 and name OE1 )" 15 2 15 85 parsed_2m3t 1
15 "assign ( resid 127 and name N ) ( resid 127 and name HN ) ( resid 168 and name O )" 16 2 16 83 parsed_2m3t 1
16 "assign ( resid 142 and name N ) ( resid 142 and name HN ) ( resid 146 and name O )" 17 2 17 83 parsed_2m3t 1
17 "assign ( resid 144 and name N ) ( resid 144 and name HN ) ( resid 116 and name O )" 18 2 18 83 parsed_2m3t 1
18 "assign ( resid 145 and name N ) ( resid 145 and name HN ) ( resid 172 and name OG )" 19 2 19 84 parsed_2m3t 1
19 "assign ( resid 159 and name N ) ( resid 159 and name HN ) ( resid 162 and name OD1 )" 20 2 20 85 parsed_2m3t 1
20 "assign ( resid 162 and name N ) ( resid 162 and name HN ) ( resid 159 and name O )" 21 2 21 83 parsed_2m3t 1
21 "assign ( resid 163 and name N ) ( resid 163 and name HN ) ( resid 160 and name O )" 22 2 22 83 parsed_2m3t 1
22 "assign ( resid 172 and name N ) ( resid 172 and name HN ) ( resid 140 and name O )" 23 2 23 83 parsed_2m3t 1
23 "assign ( resid 178 and name N ) ( resid 178 and name HN ) ( resid 89 and name O )" 24 2 24 82 parsed_2m3t 1
24 "assign ( resid 16 and name N ) ( resid 16 and name HN ) ( resid 39 and name OG )" 27 2 27 81 parsed_2m3t 1
25 "assign ( resid 17 and name N ) ( resid 17 and name HN ) ( resid 14 and name O )" 28 2 28 80 parsed_2m3t 1
26 "assign ( resid 21 and name N ) ( resid 21 and name HN ) ( resid 10 and name O )" 29 2 29 80 parsed_2m3t 1
27 "assign ( resid 110 and name N ) ( resid 110 and name HN ) ( resid 110 and name OE1 )" 30 2 30 85 parsed_2m3t 1
28 "assign ( resid 32 and name N ) ( resid 32 and name HN ) ( resid 29 and name O )" 31 2 31 80 parsed_2m3t 1
29 "assign ( resid 51 and name N ) ( resid 51 and name HN ) ( resid 58 and name O )" 32 2 32 80 parsed_2m3t 1
30 "assign ( resid 52 and name N ) ( resid 52 and name HN ) ( resid 56 and name O )" 33 2 33 80 parsed_2m3t 1
31 "assign ( resid 76 and name N ) ( resid 76 and name HN ) ( resid 60 and name OH )" 34 2 34 81 parsed_2m3t 1
32 "assign ( resid 83 and name N ) ( resid 83 and name HN ) ( resid 27 and name O )" 35 2 35 80 parsed_2m3t 1
33 "assign ( resid 83 and name N ) ( resid 83 and name HN ) ( resid 27 and name SG )" 36 2 36 81 parsed_2m3t 1
34 "assign ( resid 84 and name N ) ( resid 84 and name HN ) ( resid 48 and name O )" 37 2 37 80 parsed_2m3t 1
35 "assign ( resid 93 and name N ) ( resid 93 and name HN ) ( resid 90 and name O )" 38 2 38 80 parsed_2m3t 1
36 "assign ( resid 107 and name N ) ( resid 107 and name HN ) ( resid 100 and name OE1 )" 39 2 39 85 parsed_2m3t 1
37 "assign ( resid 115 and name N ) ( resid 115 and name HN ) ( resid 173 and name O )" 40 2 40 83 parsed_2m3t 1
38 "assign ( resid 120 and name N ) ( resid 120 and name HN ) ( resid 117 and name OG )" 41 2 41 84 parsed_2m3t 1
39 "assign ( resid 124 and name N ) ( resid 124 and name HN ) ( resid 118 and name O )" 42 2 42 83 parsed_2m3t 1
40 "assign ( resid 141 and name N ) ( resid 141 and name HN ) ( resid 148 and name O )" 43 2 43 83 parsed_2m3t 1
41 "assign ( resid 150 and name N ) ( resid 150 and name HN ) ( resid 139 and name O )" 44 2 44 83 parsed_2m3t 1
42 "assign ( resid 164 and name N ) ( resid 164 and name HN ) ( resid 161 and name O )" 45 2 45 83 parsed_2m3t 1
43 "assign ( resid 167 and name N ) ( resid 167 and name HN ) ( resid 160 and name O )" 46 2 46 83 parsed_2m3t 1
44 "assign ( resid 11 and name N ) ( resid 11 and name HN ) ( resid 39 and name O )" 49 2 49 80 parsed_2m3t 1
45 "assign ( resid 34 and name N ) ( resid 34 and name HN ) ( resid 31 and name O )" 50 2 50 80 parsed_2m3t 1
46 "assign ( resid 56 and name N ) ( resid 56 and name HN ) ( resid 52 and name O )" 51 2 51 80 parsed_2m3t 1
stop_
save_
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