NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
475091 |
2ku0   |
cing | 2-parsed | STAR | distance | general distance | simple |
data_2ku0_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2ku0
_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_2ku0 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2ku0
_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 2ku0 "Master copy" parsed_2ku0
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2ku0
_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 2ku0.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2ku0 1
1 2ku0.mr . . AMBER 2 "dipolar coupling" "Not applicable" "Not applicable" 51 parsed_2ku0 1
1 2ku0.mr . . AMBER 3 distance "hydrogen bond" simple 0 parsed_2ku0 1
1 2ku0.mr . . AMBER 4 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2ku0 1
1 2ku0.mr . . AMBER 5 distance "general distance" simple 0 parsed_2ku0 1
1 2ku0.mr . . AMBER 6 distance NOE simple 0 parsed_2ku0 1
1 2ku0.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2ku0 1
stop_
save_
save_AMBER_distance_constraints_5
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2ku0
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "general distance"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 5
_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
;
&rst iresid= 1, iat= 39, 5, r1= 1.5, r2= 2.00, r3= 6.00, r4= 6.5,
atnam="CA2", "H8", rk2=15.0, rk3=15.0, ir6=1, &end
;
4 2 5 52 parsed_2ku0 1
2
;
&rst iresid= 1, iat= 39, 5, r1= 1.5, r2= 2.00, r3= 5.00, r4= 5.5,
atnam="H11", "H8", rk2=15.0, rk3=15.0, ir6=1, &end
;
9 2 10 52 parsed_2ku0 1
3
;
&rst iresid= 1, iat= 39, 5, r1= 1.5, r2= 2.00, r3= 6.00, r4= 6.5,
atnam="NP3", "H8", rk2=15.0, rk3=15.0, ir6=1, &end
;
14 2 15 52 parsed_2ku0 1
4
;
&rst iresid= 1, iat= 39, 5, r1= 1.5, r2= 2.00, r3= 5.00, r4= 5.5,
atnam="H1", "H8", rk2=15.0, rk3=15.0, ir6=1, &end
;
19 2 20 51 parsed_2ku0 1
5
;
&rst iresid= 1, iat= 39, 5, r1= 1.5, r2= 2.00, r3= 5.00, r4= 5.5,
atnam="H1", "H1'", rk2=15.0, rk3=15.0, ir6=1, &end
;
24 2 25 52 parsed_2ku0 1
6
;
&rst iresid= 1, iat= 39, 5, r1= 3, r2= 3.50, r3= 5.50, r4= 6,
atnam="H2", "H1'", rk2=15.0, rk3=15.0, ir6=1, &end
;
29 2 30 52 parsed_2ku0 1
7
;
&rst iresid= 1, iat= 39, 5, r1= 1.5, r2= 2.00, r3= 6.00, r4= 6.5,
atnam="NP3", "H1'", rk2=15.0, rk3=15.0, ir6=1, &end
;
34 2 35 53 parsed_2ku0 1
8
;
&rst iresid= 1, iat= 39, 6, r1= 1.5, r2= 2.00, r3= 6.00, r4= 6.5,
atnam="NP3", "H1'", rk2=15.0, rk3=15.0, ir6=1, &end
;
39 2 40 53 parsed_2ku0 1
9
;
&rst iresid= 1, iat= 39, 5, r1= 1.5, r2= 2.00, r3= 5.00, r4= 5.5,
atnam="H1", "H2'1", rk2=15.0, rk3=15.0, ir6=1, &end
;
44 2 45 53 parsed_2ku0 1
10
;
&rst iresid= 1, iat= 39, 5, r1= 1.5, r2= 2.00, r3= 5.50, r4= 6,
atnam="H11", "H3'", rk2=15.0, rk3=15.0, ir6=1, &end
;
49 2 50 53 parsed_2ku0 1
11
;
&rst iresid= 1, iat= 39, 4, r1= 1.5, r2= 2.00, r3= 6.00, r4= 6.5,
atnam="NP3", "H1'", rk2=15.0, rk3=15.0, ir6=1, &end
;
54 2 55 53 parsed_2ku0 1
12
;
&rst iresid= 1, iat= 39, 4, r1= 1.5, r2= 2.00, r3= 6.00, r4= 6.5,
atnam="NP3", "H8", rk2=15.0, rk3=15.0, ir6=1, &end
;
59 2 60 52 parsed_2ku0 1
13
;
&rst iresid= 1, iat= 39, 6, r1= 3.0, r2= 3.50, r3= 7.00, r4= 7.5,
atnam="H10A", "H2", rk2=15.0, rk3=15.0, ir6=1, &end
;
64 2 65 53 parsed_2ku0 1
14
;
&rst iresid= 1, iat= 39, 6, r1= 3.0, r2= 3.50, r3= 7.00, r4= 7.5,
atnam="H10B", "H2", rk2=15.0, rk3=15.0, ir6=1, &end
;
69 2 70 53 parsed_2ku0 1
15
;
&rst iresid= 1, iat= 39, 6, r1= 1.5, r2= 2.00, r3= 4.50, r4= 5.0,
atnam="CA2", "H2", rk2=15.0, rk3=15.0, ir6=1, &end
;
74 2 75 52 parsed_2ku0 1
16
;
&rst iresid= 1, iat= 39, 6, r1= 3.0, r2= 3.50, r3= 5.50, r4= 6.0,
atnam="C10", "H2", rk2=15.0, rk3=15.0, ir6=1, &end
;
79 2 80 52 parsed_2ku0 1
17
;
&rst iresid= 1, iat= 39, 6, r1= 1.5, r2= 2.00, r3= 5.00, r4= 5.5,
atnam="NP3", "H2", rk2=15.0, rk3=15.0, ir6=1, &end
;
84 2 85 52 parsed_2ku0 1
18
;
&rst iresid= 1, iat= 39, 6, r1= 3, r2= 3.50, r3= 5.50, r4= 6.0,
atnam="H1", "H2", rk2=15.0, rk3=15.0, ir6=1, &end
;
89 2 90 51 parsed_2ku0 1
19
;
&rst iresid= 1, iat= 39, 6, r1= 3.5, r2= 4.00, r3= 6.00, r4= 6.5,
atnam="H2", "H2", rk2=15.0, rk3=15.0, ir6=1, &end
;
94 2 95 51 parsed_2ku0 1
20
;
&rst iresid= 1, iat= 39, 6, r1= 1.5, r2= 2.00, r3= 6.00, r4= 6.5,
atnam="NP3", "H8", rk2=15.0, rk3=15.0, ir6=1, &end
;
99 2 100 52 parsed_2ku0 1
21
;
&rst iresid= 1, iat= 39, 6, r1= 1.5, r2= 2.00, r3= 5.00, r4= 5.5,
atnam="H11", "H2", rk2=15.0, rk3=15.0, ir6=1, &end
;
104 2 105 52 parsed_2ku0 1
22
;
&rst iresid= 1, iat= 39, 7, r1= 1.5, r2= 2.00, r3= 6.50, r4= 7,
atnam="NP3", "H8", rk2=15.0, rk3=15.0, ir6=1, &end
;
109 2 110 52 parsed_2ku0 1
23
;
&rst iresid= 1, iat= 39, 12, r1= 1.5, r2= 2.00, r3= 6.50, r4= 7,
atnam="NP2", "H5", rk2=15.0, rk3=15.0, ir6=1, &end
;
114 2 115 52 parsed_2ku0 1
24
;
&rst iresid= 1, iat= 39, 11, r1= 1.5, r2= 2.00, r3= 6.00, r4= 6.5,
atnam="CB1", "H5", rk2=15.0, rk3=15.0, ir6=1, &end
;
119 2 120 52 parsed_2ku0 1
25
;
&rst iresid= 1, iat= 39, 39, r1= 5.5, r2= 6.00, r3= 100.00, r4= 100.5,
atnam="CG3", "HB1A", rk2=15.0, rk3=15.0, ir6=1, &end
;
124 2 125 54 parsed_2ku0 1
26
;
&rst iresid= 1, iat= 39, 39, r1= 5.5, r2= 6.00, r3= 100.00, r4= 100.5,
atnam="CG3", "HB1B", rk2=15.0, rk3=15.0, ir6=1, &end
;
129 2 130 54 parsed_2ku0 1
27
;
&rst iresid= 1, iat= 39, 39, r1= 5.5, r2= 6.00, r3= 100.00, r4= 100.5,
atnam="CG2", "HB1B", rk2=15.0, rk3=15.0, ir6=1, &end
;
134 2 135 54 parsed_2ku0 1
28
;
&rst iresid= 1, iat= 39, 39, r1= 5.5, r2= 6.00, r3= 100.00, r4= 100.5,
atnam="CG2", "HB1A", rk2=15.0, rk3=15.0, ir6=1, &end
;
139 2 140 54 parsed_2ku0 1
29
;
&rst iresid= 1, iat= 39, 39, r1= 5.5, r2= 6.00, r3= 100.00, r4= 100.5,
atnam="CG3", "H2", rk2=15.0, rk3=15.0, ir6=1, &end
;
144 2 145 52 parsed_2ku0 1
30
;
&rst iresid= 1, iat= 39, 39, r1= 4.5, r2= 5.00, r3= 100.00, r4= 100.5,
atnam="CG3", "H1", rk2=15.0, rk3=15.0, ir6=1, &end
;
149 2 150 52 parsed_2ku0 1
31
;
&rst iresid= 1, iat= 39, 39, r1= 5.5, r2= 6.00, r3= 100.00, r4= 100.5,
atnam="CG2", "H2", rk2=15.0, rk3=15.0, ir6=1, &end
;
154 2 155 52 parsed_2ku0 1
32
;
&rst iresid= 1, iat= 39, 39, r1= 4.5, r2= 5.00, r3= 100.00, r4= 100.5,
atnam="CG2", "H1", rk2=15.0, rk3=15.0, ir6=1, &end
;
159 2 160 52 parsed_2ku0 1
33
;
&rst iresid= 1, iat= 39, 39, r1= 5.5, r2= 6.00, r3= 100.00, r4= 100.5,
atnam="CE1", "HA2B", rk2=15.0, rk3=15.0, ir6=1, &end
;
165 2 166 54 parsed_2ku0 1
34
;
&rst iresid= 1, iat= 39, 39, r1= 5.5, r2= 6.00, r3= 100.00, r4= 100.5,
atnam="CE1", "HA2A", rk2=15.0, rk3=15.0, ir6=1, &end
;
170 2 171 54 parsed_2ku0 1
35
;
&rst iresid= 1, iat= 39, 39, r1= 5.5, r2= 6.00, r3= 100.00, r4= 100.5,
atnam="CD1", "HA2A", rk2=15.0, rk3=15.0, ir6=1, &end
;
175 2 176 54 parsed_2ku0 1
36
;
&rst iresid= 1, iat= 39, 39, r1= 5.5, r2= 6.00, r3= 100.00, r4= 100.5,
atnam="CD1", "HA2B", rk2=15.0, rk3=15.0, ir6=1, &end
;
180 2 181 54 parsed_2ku0 1
37
;
&rst iresid= 1, iat= 39, 11, r1= 6, r2= 6.50, r3= 100.00, r4= 100.5,
atnam="CD1", "H1'", rk2=15.0, rk3=15.0, ir6=1, &end
;
185 2 186 53 parsed_2ku0 1
38
;
&rst iresid= 1, iat= 39, 11, r1= 6, r2= 6.50, r3= 100.00, r4= 100.5,
atnam="CE1", "H1'", rk2=15.0, rk3=15.0, ir6=1, &end
;
190 2 191 53 parsed_2ku0 1
39
;
&rst iresid= 1, iat= 39, 33, r1= 6, r2= 6.50, r3= 100.00, r4= 100.5,
atnam="CD1", "H1'", rk2=15.0, rk3=15.0, ir6=1, &end
;
196 2 197 53 parsed_2ku0 1
40
;
&rst iresid= 1, iat= 39, 33, r1= 6, r2= 6.50, r3= 100.00, r4= 100.5,
atnam="CE1", "H1'", rk2=15.0, rk3=15.0, ir6=1, &end
;
201 2 202 53 parsed_2ku0 1
41
;
&rst iresid= 1, iat= 39, 10, r1= 5.5, r2= 6.00, r3= 100.00, r4= 100.5,
atnam="CE1", "H2", rk2=15.0, rk3=15.0, ir6=1, &end
;
206 2 207 52 parsed_2ku0 1
42
;
&rst iresid= 1, iat= 39, 10, r1= 5.5, r2= 6.00, r3= 100.00, r4= 100.5,
atnam="CD1", "H2", rk2=15.0, rk3=15.0, ir6=1, &end
;
211 2 212 52 parsed_2ku0 1
43
;
&rst iresid= 1, iat= 39, 10, r1= 5.5, r2= 6.00, r3= 100.00, r4= 100.5,
atnam="CE1", "H8", rk2=15.0, rk3=15.0, ir6=1, &end
;
216 2 217 52 parsed_2ku0 1
44
;
&rst iresid= 1, iat= 39, 10, r1= 5.5, r2= 6.00, r3= 100.00, r4= 100.5,
atnam="CD1", "H8", rk2=15.0, rk3=15.0, ir6=1, &end
;
221 2 222 52 parsed_2ku0 1
45
;
&rst iresid= 1, iat= 39, 10, r1= 4.5, r2= 5.00, r3= 100.00, r4= 100.5,
atnam="HB1B", "H2", rk2=15.0, rk3=15.0, ir6=1, &end
;
227 2 228 53 parsed_2ku0 1
46
;
&rst iresid= 1, iat= 39, 10, r1= 4.5, r2= 5.00, r3= 100.00, r4= 100.5,
atnam="HB1A", "H2", rk2=15.0, rk3=15.0, ir6=1, &end
;
232 2 233 53 parsed_2ku0 1
47
;
&rst iresid= 1, iat= 39, 5, r1= 4.5, r2= 5.00, r3= 100.00, r4= 100.5,
atnam="C10", "H8", rk2=15.0, rk3=15.0, ir6=1, &end
;
238 2 239 52 parsed_2ku0 1
48
;
&rst iresid= 1, iat= 39, 6, r1= 4.5, r2= 5.00, r3= 100.00, r4= 100.5,
atnam="CA1", "H2", rk2=15.0, rk3=15.0, ir6=1, &end
;
245 2 246 52 parsed_2ku0 1
49
;
&rst iresid= 1, iat= 39, 6, r1= 4.5, r2= 5.00, r3= 100.00, r4= 100.5,
atnam="CB1", "H2", rk2=15.0, rk3=15.0, ir6=1, &end
;
250 2 251 52 parsed_2ku0 1
50
;
&rst iresid= 1, iat= 39, 9, r1= 4.5, r2= 5.00, r3= 100.00, r4= 100.5,
atnam="HG1A", "H6", rk2=15.0, rk3=15.0, ir6=1, &end
;
255 2 256 53 parsed_2ku0 1
51
;
&rst iresid= 1, iat= 39, 9, r1= 4.5, r2= 5.00, r3= 100.00, r4= 100.5,
atnam="HG1B", "H6", rk2=15.0, rk3=15.0, ir6=1, &end
;
260 2 261 53 parsed_2ku0 1
52
;
&rst iresid= 1, iat= 39, 9, r1= 4.5, r2= 5.00, r3= 100.00, r4= 100.5,
atnam="HB1A", "H6", rk2=15.0, rk3=15.0, ir6=1, &end
;
265 2 266 53 parsed_2ku0 1
53
;
&rst iresid= 1, iat= 39, 9, r1= 4.5, r2= 5.00, r3= 100.00, r4= 100.5,
atnam="HB1B", "H6", rk2=15.0, rk3=15.0, ir6=1, &end
;
270 2 271 53 parsed_2ku0 1
54
;
&rst iresid= 1, iat= 39, 9, r1= 5, r2= 5.50, r3= 100.00, r4= 100.5,
atnam="CD1", "H6", rk2=15.0, rk3=15.0, ir6=1, &end
;
275 2 276 52 parsed_2ku0 1
55
;
&rst iresid= 1, iat= 39, 9, r1= 5, r2= 5.50, r3= 100.00, r4= 100.5,
atnam="CE1", "H6", rk2=15.0, rk3=15.0, ir6=1, &end
;
280 2 281 52 parsed_2ku0 1
stop_
save_
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