NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | in_dress | stage | program | type | subtype | subsubtype |
|
|
29276 |
1aoy   |
cing | recoord | dress | 2-parsed | STAR | distance | hydrogen bond | ambi |
data_1aoy_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1aoy
_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_1aoy 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1aoy
_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 1aoy "Master copy" parsed_1aoy
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1aoy
_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 1aoy.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1aoy 1
1 1aoy.mr . . XPLOR/CNS 2 distance NOE ambi 2336 parsed_1aoy 1
1 1aoy.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 parsed_1aoy 1
1 1aoy.mr . . XPLOR/CNS 4 distance "hydrogen bond" ambi 0 parsed_1aoy 1
1 1aoy.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1aoy 1
1 1aoy.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1aoy 1
1 1aoy.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1aoy 1
stop_
save_
save_CNS/XPLOR_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1aoy
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 4
_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 12 and name N)
((name O* and not (name O or name OT#)) or
(not (resid 11 : 13 ) and (name O or name OT#))) 3.2 0.5 0
;
1 2 3 68 parsed_1aoy 1
2
;
assign (resid 12 and name HN)
((name O* and not (name O or name OT#)) or
(not (resid 11 : 13 ) and (name O or name OT#))) 2.2 0.5 0
;
4 2 6 68 parsed_1aoy 1
3
;
assign (resid 13 and name N)
((name O* and not (name O or name OT#)) or
(not (resid 12 : 14 ) and (name O or name OT#))) 3.2 0.5 0
;
7 2 9 68 parsed_1aoy 1
4
;
assign (resid 13 and name HN)
((name O* and not (name O or name OT#)) or
(not (resid 12 : 14 ) and (name O or name OT#))) 2.2 0.5 0
;
10 2 12 68 parsed_1aoy 1
5
;
assign (resid 14 and name N)
((name O* and not (name O or name OT#)) or
(not (resid 13 : 15 ) and (name O or name OT#))) 3.2 0.5 0
;
13 2 15 68 parsed_1aoy 1
6
;
assign (resid 14 and name HN)
((name O* and not (name O or name OT#)) or
(not (resid 13 : 15 ) and (name O or name OT#))) 2.2 0.5 0
;
16 2 18 68 parsed_1aoy 1
7
;
assign (resid 15 and name N)
((name O* and not (name O or name OT#)) or
(not (resid 14 : 16 ) and (name O or name OT#))) 3.2 0.5 0
;
19 2 21 68 parsed_1aoy 1
8
;
assign (resid 15 and name HN)
((name O* and not (name O or name OT#)) or
(not (resid 14 : 16 ) and (name O or name OT#))) 2.2 0.5 0
;
22 2 24 68 parsed_1aoy 1
9
;
assign (resid 16 and name N)
((name O* and not (name O or name OT#)) or
(not (resid 15 : 17 ) and (name O or name OT#))) 3.2 0.5 0
;
25 2 27 68 parsed_1aoy 1
10
;
assign (resid 16 and name HN)
((name O* and not (name O or name OT#)) or
(not (resid 15 : 17 ) and (name O or name OT#))) 2.2 0.5 0
;
28 2 30 68 parsed_1aoy 1
11
;
assign (resid 17 and name N)
((name O* and not (name O or name OT#)) or
(not (resid 16 : 18 ) and (name O or name OT#))) 3.2 0.5 0
;
31 2 33 68 parsed_1aoy 1
12
;
assign (resid 17 and name HN)
((name O* and not (name O or name OT#)) or
(not (resid 16 : 18 ) and (name O or name OT#))) 2.2 0.5 0
;
34 2 36 68 parsed_1aoy 1
13
;
assign (resid 18 and name N)
((name O* and not (name O or name OT#)) or
(not (resid 17 : 19 ) and (name O or name OT#))) 3.2 0.5 0
;
37 2 39 68 parsed_1aoy 1
14
;
assign (resid 18 and name HN)
((name O* and not (name O or name OT#)) or
(not (resid 17 : 19 ) and (name O or name OT#))) 2.2 0.5 0
;
40 2 42 68 parsed_1aoy 1
15
;
assign (resid 19 and name N)
((name O* and not (name O or name OT#)) or
(not (resid 18 : 20 ) and (name O or name OT#))) 3.2 0.5 0
;
43 2 45 68 parsed_1aoy 1
16
;
assign (resid 19 and name HN)
((name O* and not (name O or name OT#)) or
(not (resid 18 : 20 ) and (name O or name OT#))) 2.2 0.5 0
;
46 2 48 68 parsed_1aoy 1
17
;
assign (resid 20 and name N)
((name O* and not (name O or name OT#)) or
(not (resid 19 : 21 ) and (name O or name OT#))) 3.2 0.5 0
;
49 2 51 68 parsed_1aoy 1
18
;
assign (resid 20 and name HN)
((name O* and not (name O or name OT#)) or
(not (resid 19 : 21 ) and (name O or name OT#))) 2.2 0.5 0
;
52 2 54 68 parsed_1aoy 1
19
;
assign (resid 29 and name N)
((name O* and not (name O or name OT#)) or
(not (resid 28 : 30 ) and (name O or name OT#))) 3.2 0.5 0
;
55 2 57 68 parsed_1aoy 1
20
;
assign (resid 29 and name HN)
((name O* and not (name O or name OT#)) or
(not (resid 28 : 30 ) and (name O or name OT#))) 2.2 0.5 0
;
58 2 60 68 parsed_1aoy 1
21
;
assign (resid 30 and name N)
((name O* and not (name O or name OT#)) or
(not (resid 29 : 31 ) and (name O or name OT#))) 3.2 0.5 0
;
61 2 63 68 parsed_1aoy 1
22
;
assign (resid 30 and name HN)
((name O* and not (name O or name OT#)) or
(not (resid 29 : 31 ) and (name O or name OT#))) 2.2 0.5 0
;
64 2 66 68 parsed_1aoy 1
23
;
assign (resid 31 and name N)
((name O* and not (name O or name OT#)) or
(not (resid 30 : 32 ) and (name O or name OT#))) 3.2 0.5 0
;
67 2 69 68 parsed_1aoy 1
24
;
assign (resid 31 and name HN)
((name O* and not (name O or name OT#)) or
(not (resid 30 : 32 ) and (name O or name OT#))) 2.2 0.5 0
;
70 2 72 68 parsed_1aoy 1
25
;
assign (resid 32 and name N)
((name O* and not (name O or name OT#)) or
(not (resid 31 : 33 ) and (name O or name OT#))) 3.2 0.5 0
;
73 2 75 68 parsed_1aoy 1
26
;
assign (resid 32 and name HN)
((name O* and not (name O or name OT#)) or
(not (resid 31 : 33 ) and (name O or name OT#))) 2.2 0.5 0
;
76 2 78 68 parsed_1aoy 1
27
;
assign (resid 33 and name N)
((name O* and not (name O or name OT#)) or
(not (resid 32 : 34 ) and (name O or name OT#))) 3.2 0.5 0
;
79 2 81 68 parsed_1aoy 1
28
;
assign (resid 33 and name HN)
((name O* and not (name O or name OT#)) or
(not (resid 32 : 34 ) and (name O or name OT#))) 2.2 0.5 0
;
82 2 84 68 parsed_1aoy 1
29
;
assign (resid 34 and name N)
((name O* and not (name O or name OT#)) or
(not (resid 33 : 35 ) and (name O or name OT#))) 3.2 0.5 0
;
85 2 87 68 parsed_1aoy 1
30
;
assign (resid 34 and name HN)
((name O* and not (name O or name OT#)) or
(not (resid 33 : 35 ) and (name O or name OT#))) 2.2 0.5 0
;
88 2 90 68 parsed_1aoy 1
31
;
assign (resid 35 and name N)
((name O* and not (name O or name OT#)) or
(not (resid 34 : 36 ) and (name O or name OT#))) 3.2 0.5 0
;
91 2 93 68 parsed_1aoy 1
32
;
assign (resid 35 and name HN)
((name O* and not (name O or name OT#)) or
(not (resid 34 : 36 ) and (name O or name OT#))) 2.2 0.5 0
;
94 2 96 68 parsed_1aoy 1
33
;
assign (resid 36 and name N)
((name O* and not (name O or name OT#)) or
(not (resid 35 : 37 ) and (name O or name OT#))) 3.2 0.5 0
;
97 2 99 68 parsed_1aoy 1
34
;
assign (resid 36 and name HN)
((name O* and not (name O or name OT#)) or
(not (resid 35 : 37 ) and (name O or name OT#))) 2.2 0.5 0
;
100 2 102 68 parsed_1aoy 1
35
;
assign (resid 37 and name N)
((name O* and not (name O or name OT#)) or
(not (resid 36 : 38 ) and (name O or name OT#))) 3.2 0.5 0
;
103 2 105 68 parsed_1aoy 1
36
;
assign (resid 37 and name HN)
((name O* and not (name O or name OT#)) or
(not (resid 36 : 38 ) and (name O or name OT#))) 2.2 0.5 0
;
106 2 108 68 parsed_1aoy 1
37
;
assign (resid 38 and name N)
((name O* and not (name O or name OT#)) or
(not (resid 37 : 39 ) and (name O or name OT#))) 3.2 0.5 0
;
109 2 111 68 parsed_1aoy 1
38
;
assign (resid 38 and name HN)
((name O* and not (name O or name OT#)) or
(not (resid 37 : 39 ) and (name O or name OT#))) 2.2 0.5 0
;
112 2 114 68 parsed_1aoy 1
39
;
assign (resid 44 and name N)
((name O* and not (name O or name OT#)) or
(not (resid 43 : 45 ) and (name O or name OT#))) 3.2 0.5 0
;
115 2 117 68 parsed_1aoy 1
40
;
assign (resid 44 and name HN)
((name O* and not (name O or name OT#)) or
(not (resid 43 : 45 ) and (name O or name OT#))) 2.2 0.5 0
;
118 2 120 68 parsed_1aoy 1
41
;
assign (resid 45 and name N)
((name O* and not (name O or name OT#)) or
(not (resid 44 : 46 ) and (name O or name OT#))) 3.2 0.5 0
;
121 2 123 68 parsed_1aoy 1
42
;
assign (resid 45 and name HN)
((name O* and not (name O or name OT#)) or
(not (resid 44 : 46 ) and (name O or name OT#))) 2.2 0.5 0
;
124 2 126 68 parsed_1aoy 1
43
;
assign (resid 46 and name N)
((name O* and not (name O or name OT#)) or
(not (resid 45 : 47 ) and (name O or name OT#))) 3.2 0.5 0
;
127 2 129 68 parsed_1aoy 1
44
;
assign (resid 46 and name HN)
((name O* and not (name O or name OT#)) or
(not (resid 45 : 47 ) and (name O or name OT#))) 2.2 0.5 0
;
130 2 132 68 parsed_1aoy 1
45
;
assign (resid 48 and name N)
((name O* and not (name O or name OT#)) or
(not (resid 47 : 49 ) and (name O or name OT#))) 3.2 0.5 0
;
133 2 135 68 parsed_1aoy 1
46
;
assign (resid 48 and name HN)
((name O* and not (name O or name OT#)) or
(not (resid 47 : 49 ) and (name O or name OT#))) 2.2 0.5 0
;
136 2 138 68 parsed_1aoy 1
47
;
assign (resid 49 and name N)
((name O* and not (name O or name OT#)) or
(not (resid 48 : 50 ) and (name O or name OT#))) 3.2 0.5 0
;
139 2 141 68 parsed_1aoy 1
48
;
assign (resid 49 and name HN)
((name O* and not (name O or name OT#)) or
(not (resid 48 : 50 ) and (name O or name OT#))) 2.2 0.5 0
;
142 2 144 68 parsed_1aoy 1
49
;
assign (resid 50 and name N)
((name O* and not (name O or name OT#)) or
(not (resid 49 : 51 ) and (name O or name OT#))) 3.2 0.5 0
;
145 2 147 68 parsed_1aoy 1
50
;
assign (resid 50 and name HN)
((name O* and not (name O or name OT#)) or
(not (resid 49 : 51 ) and (name O or name OT#))) 2.2 0.5 0
;
148 2 150 68 parsed_1aoy 1
51
;
assign (resid 51 and name N)
((name O* and not (name O or name OT#)) or
(not (resid 50 : 52 ) and (name O or name OT#))) 3.2 0.5 0
;
151 2 153 68 parsed_1aoy 1
52
;
assign (resid 51 and name HN)
((name O* and not (name O or name OT#)) or
(not (resid 50 : 52 ) and (name O or name OT#))) 2.2 0.5 0
;
154 2 156 68 parsed_1aoy 1
53
;
assign (resid 53 and name N)
((name O* and not (name O or name OT#)) or
(not (resid 52 : 54 ) and (name O or name OT#))) 3.2 0.5 0
;
157 2 159 68 parsed_1aoy 1
54
;
assign (resid 53 and name HN)
((name O* and not (name O or name OT#)) or
(not (resid 52 : 54 ) and (name O or name OT#))) 2.2 0.5 0
;
160 2 162 68 parsed_1aoy 1
55
;
assign (resid 54 and name N)
((name O* and not (name O or name OT#)) or
(not (resid 53 : 55 ) and (name O or name OT#))) 3.2 0.5 0
;
163 2 165 68 parsed_1aoy 1
56
;
assign (resid 54 and name HN)
((name O* and not (name O or name OT#)) or
(not (resid 53 : 55 ) and (name O or name OT#))) 2.2 0.5 0
;
166 2 168 68 parsed_1aoy 1
57
;
assign (resid 56 and name N)
((name O* and not (name O or name OT#)) or
(not (resid 55 : 57 ) and (name O or name OT#))) 3.2 0.5 0
;
169 2 171 68 parsed_1aoy 1
58
;
assign (resid 56 and name HN)
((name O* and not (name O or name OT#)) or
(not (resid 55 : 57 ) and (name O or name OT#))) 2.2 0.5 0
;
172 2 174 68 parsed_1aoy 1
59
;
assign (resid 63 and name N)
((name O* and not (name O or name OT#)) or
(not (resid 62 : 64 ) and (name O or name OT#))) 3.2 0.5 0
;
175 2 177 68 parsed_1aoy 1
60
;
assign (resid 63 and name HN)
((name O* and not (name O or name OT#)) or
(not (resid 62 : 64 ) and (name O or name OT#))) 2.2 0.5 0
;
178 2 180 68 parsed_1aoy 1
61
;
assign (resid 66 and name N)
((name O* and not (name O or name OT#)) or
(not (resid 65 : 67 ) and (name O or name OT#))) 3.2 0.5 0
;
181 2 183 68 parsed_1aoy 1
62
;
assign (resid 66 and name HN)
((name O* and not (name O or name OT#)) or
(not (resid 65 : 67 ) and (name O or name OT#))) 2.2 0.5 0
;
184 2 186 68 parsed_1aoy 1
63
;
assign (resid 67 and name N)
((name O* and not (name O or name OT#)) or
(not (resid 66 : 68 ) and (name O or name OT#))) 3.2 0.5 0
;
187 2 189 68 parsed_1aoy 1
64
;
assign (resid 67 and name HN)
((name O* and not (name O or name OT#)) or
(not (resid 66 : 68 ) and (name O or name OT#))) 2.2 0.5 0
;
190 2 192 68 parsed_1aoy 1
stop_
save_
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