NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type |
|
|
48179 |
2i7e   |
cing | 2-parsed | STAR | dipolar coupling |
data_2i7e_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2i7e
_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_2i7e 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2i7e
_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 2i7e "Master copy" parsed_2i7e
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2i7e
_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 2i7e.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2i7e 1
1 2i7e.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_2i7e 1
1 2i7e.mr . . XPLOR/CNS 3 distance NOE simple 1403 parsed_2i7e 1
1 2i7e.mr . . XPLOR/CNS 4 distance "general distance" simple 88 parsed_2i7e 1
1 2i7e.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 198 parsed_2i7e 1
1 2i7e.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2i7e 1
1 2i7e.mr . . XPLOR/CNS 7 planarity "Not applicable" "Not applicable" 0 parsed_2i7e 1
1 2i7e.mr . . n/a 8 comment "Not applicable" "Not applicable" 0 parsed_2i7e 1
1 2i7e.mr . . XPLOR/CNS 9 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2i7e 1
1 2i7e.mr . . n/a 10 comment "Not applicable" "Not applicable" 0 parsed_2i7e 1
1 2i7e.mr . . "MR format" 11 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2i7e 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_9
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2i7e
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 9
_RDC_constraint_list.Details "Generated by Wattos"
loop_
_RDC_constraint_parse_err.ID
_RDC_constraint_parse_err.Content
_RDC_constraint_parse_err.Begin_line
_RDC_constraint_parse_err.Begin_column
_RDC_constraint_parse_err.End_line
_RDC_constraint_parse_err.End_column
_RDC_constraint_parse_err.Entry_ID
_RDC_constraint_parse_err.RDC_constraint_list_ID
1 \par 1 1 1 4 parsed_2i7e 1
2
;
assign ( resid 500 and name OO )\par
( resid 500 and name Z )\par
( resid 500 and name X )\par
( resid 500 and name Y )\par
( resid 2 and name N1 )\par
( resid 2 and name H1 ) 15.1 2.2000 2.2000\par
\par
;
2 1 8 4 parsed_2i7e 1
3
;
assign ( resid 500 and name OO )\par
( resid 500 and name Z )\par
( resid 500 and name X )\par
( resid 500 and name Y )\par
( resid 5 and name N3 )\par
( resid 5 and name H3 ) 39.4 1.2000 1.2000\par
\par
;
9 1 15 4 parsed_2i7e 1
4
;
assign ( resid 500 and name OO )\par
( resid 500 and name Z )\par
( resid 500 and name X )\par
( resid 500 and name Y )\par
( resid 9 and name N1 )\par
( resid 9 and name H1 ) 50.4 1.2000 1.2000\par
\par
;
16 1 22 4 parsed_2i7e 1
5
;
assign ( resid 500 and name OO )\par
( resid 500 and name Z )\par
( resid 500 and name X )\par
( resid 500 and name Y )\par
( resid 17 and name N1 )\par
( resid 17 and name H1 ) 8.1 1.2000 1.2000\par
\par
;
23 1 29 4 parsed_2i7e 1
6
;
assign ( resid 500 and name OO )\par
( resid 500 and name Z )\par
( resid 500 and name X )\par
( resid 500 and name Y )\par
( resid 18 and name N1 )\par
( resid 18 and name H1 ) 45.1 1.2000 1.2000\par
\par
;
30 1 36 4 parsed_2i7e 1
7
;
assign ( resid 500 and name OO )\par
( resid 500 and name Z )\par
( resid 500 and name X )\par
( resid 500 and name Y )\par
( resid 20 and name N1 )\par
( resid 20 and name H1 ) 35.2 1.2000 1.2000\par
\par
;
37 1 43 4 parsed_2i7e 1
8
;
assign ( resid 500 and name OO )\par
( resid 500 and name Z )\par
( resid 500 and name X )\par
( resid 500 and name Y )\par
( resid 28 and name N1 )\par
( resid 28 and name H1 ) 26.2 1.2000 1.2000\par
\par
;
44 1 50 4 parsed_2i7e 1
9
;
assign ( resid 500 and name OO )\par
( resid 500 and name Z )\par
( resid 500 and name X )\par
( resid 500 and name Y )\par
( resid 29 and name N3 )\par
( resid 29 and name H3 ) 24.4 1.2000 1.2000\par
\par
;
51 1 57 4 parsed_2i7e 1
10
;
assign ( resid 500 and name OO )\par
( resid 500 and name Z )\par
( resid 500 and name X )\par
( resid 500 and name Y )\par
( resid 33 and name N3 )\par
( resid 33 and name H3 ) 13.5 1.2000 1.2000\par
\par
;
58 1 64 4 parsed_2i7e 1
11
;
assign ( resid 500 and name OO )\par
( resid 500 and name Z )\par
( resid 500 and name X )\par
( resid 500 and name Y )\par
( resid 36 and name N3 )\par
( resid 36 and name H3 ) 51.8 1.2000 1.2000\par
\par
;
65 1 71 4 parsed_2i7e 1
12
;
assign ( resid 500 and name OO )\par
( resid 500 and name Z )\par
( resid 500 and name X )\par
( resid 500 and name Y )\par
( resid 39 and name N1 )\par
( resid 39 and name H1 ) 40.2 1.2000 1.2000\par
\par
;
72 1 78 4 parsed_2i7e 1
13
;
assign ( resid 500 and name OO )\par
( resid 500 and name Z )\par
( resid 500 and name X )\par
( resid 500 and name Y )\par
( resid 43 and name N3 )\par
( resid 43 and name H3 ) 4.96 1.2000 1.2000\par
\par
;
79 1 85 4 parsed_2i7e 1
14
;
assign ( resid 500 and name OO )\par
( resid 500 and name Z )\par
( resid 500 and name X )\par
( resid 500 and name Y )\par
( resid 45 and name N1 )\par
( resid 45 and name H1 ) 15.1 2.2000 2.2000\par
\par
;
86 1 92 4 parsed_2i7e 1
15
;
assign ( resid 500 and name OO )\par
( resid 500 and name Z )\par
( resid 500 and name X )\par
( resid 500 and name Y )\par
( resid 48 and name N3 )\par
( resid 48 and name H3 ) 39.4 1.2000 1.2000\par
\par
;
93 1 99 4 parsed_2i7e 1
16
;
assign ( resid 500 and name OO )\par
( resid 500 and name Z )\par
( resid 500 and name X )\par
( resid 500 and name Y )\par
( resid 52 and name N1 )\par
( resid 52 and name H1 ) 50.4 1.2000 1.2000\par
\par
;
100 1 106 4 parsed_2i7e 1
17
;
assign ( resid 500 and name OO )\par
( resid 500 and name Z )\par
( resid 500 and name X )\par
( resid 500 and name Y )\par
( resid 60 and name N1 )\par
( resid 60 and name H1 ) 8.1 1.2000 1.2000\par
\par
;
107 1 113 4 parsed_2i7e 1
18
;
assign ( resid 500 and name OO )\par
( resid 500 and name Z )\par
( resid 500 and name X )\par
( resid 500 and name Y )\par
( resid 61 and name N1 )\par
( resid 61 and name H1 ) 45.1 1.2000 1.2000\par
\par
;
114 1 120 4 parsed_2i7e 1
19
;
assign ( resid 500 and name OO )\par
( resid 500 and name Z )\par
( resid 500 and name X )\par
( resid 500 and name Y )\par
( resid 63 and name N1 )\par
( resid 63 and name H1 ) 35.2 1.2000 1.2000\par
\par
;
121 1 127 4 parsed_2i7e 1
20
;
assign ( resid 500 and name OO )\par
( resid 500 and name Z )\par
( resid 500 and name X )\par
( resid 500 and name Y )\par
( resid 71 and name N1 )\par
( resid 71 and name H1 ) 26.2 1.2000 1.2000\par
\par
;
128 1 134 4 parsed_2i7e 1
21
;
assign ( resid 500 and name OO )\par
( resid 500 and name Z )\par
( resid 500 and name X )\par
( resid 500 and name Y )\par
( resid 72 and name N3 )\par
( resid 72 and name H3 ) 24.4 1.2000 1.2000\par
\par
;
135 1 141 4 parsed_2i7e 1
22
;
assign ( resid 500 and name OO )\par
( resid 500 and name Z )\par
( resid 500 and name X )\par
( resid 500 and name Y )\par
( resid 76 and name N3 )\par
( resid 76 and name H3 ) 13.5 1.2000 1.2000\par
\par
;
142 1 148 4 parsed_2i7e 1
23
;
assign ( resid 500 and name OO )\par
( resid 500 and name Z )\par
( resid 500 and name X )\par
( resid 500 and name Y )\par
( resid 79 and name N3 )\par
( resid 79 and name H3 ) 51.8 1.2000 1.2000\par
\par
;
149 1 155 4 parsed_2i7e 1
24
;
assign ( resid 500 and name OO )\par
( resid 500 and name Z )\par
( resid 500 and name X )\par
( resid 500 and name Y )\par
( resid 82 and name N1 )\par
( resid 82 and name H1 ) 40.2 1.2000 1.2000\par
\par
;
156 1 162 4 parsed_2i7e 1
25
;
assign ( resid 500 and name OO )\par
( resid 500 and name Z )\par
( resid 500 and name X )\par
( resid 500 and name Y )\par
( resid 86 and name N3 )\par
( resid 86 and name H3 ) 4.96 1.2000 1.2000\par
\par
\par
\par
\par
\par
\f1\par
;
163 1 174 7 parsed_2i7e 1
stop_
save_
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