NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type |
|
|
592967 |
2ruj   |
cing | 2-parsed | STAR | dipolar coupling |
data_2ruj_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2ruj
_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_2ruj 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2ruj
_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 2ruj "Master copy" parsed_2ruj
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2ruj
_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 2ruj.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2ruj 1
1 2ruj.mr . . XPLOR/CNS 2 distance "general distance" simple 746 parsed_2ruj 1
1 2ruj.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 221 parsed_2ruj 1
1 2ruj.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2ruj 1
1 2ruj.mr . . XPLOR/CNS 5 distance NOE simple 0 parsed_2ruj 1
1 2ruj.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2ruj 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_4
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2ruj
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 4
_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
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 53 and name HN and not segid REF )
( resid 53 and name N and not segid REF ) 19.7100 1.5000
;
11 1 16 66 parsed_2ruj 1
2
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 54 and name HN and not segid REF )
( resid 54 and name N and not segid REF ) 10.3100 1.5000
;
18 1 23 66 parsed_2ruj 1
3
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 67 and name HN and not segid REF )
( resid 67 and name N and not segid REF ) 11.7600 1.5000
;
25 1 30 66 parsed_2ruj 1
4
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 77 and name HN and not segid REF )
( resid 77 and name N and not segid REF ) 10.1200 1.5000
;
32 1 37 66 parsed_2ruj 1
5
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 81 and name HN and not segid REF )
( resid 81 and name N and not segid REF ) 7.1300 1.5000
;
39 1 44 65 parsed_2ruj 1
6
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 82 and name HN and not segid REF )
( resid 82 and name N and not segid REF ) 10.6500 1.5000
;
46 1 51 66 parsed_2ruj 1
7
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 83 and name HN and not segid REF )
( resid 83 and name N and not segid REF ) 8.1600 1.5000
;
53 1 58 65 parsed_2ruj 1
8
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 85 and name HN and not segid REF )
( resid 85 and name N and not segid REF ) 6.8000 1.5000
;
60 1 65 65 parsed_2ruj 1
9
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 86 and name HN and not segid REF )
( resid 86 and name N and not segid REF ) 11.7700 1.5000
;
67 1 72 66 parsed_2ruj 1
10
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 90 and name HN and not segid REF )
( resid 90 and name N and not segid REF ) 9.6700 1.5000
;
74 1 79 65 parsed_2ruj 1
11
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 91 and name HN and not segid REF )
( resid 91 and name N and not segid REF ) 8.8800 1.5000
;
81 1 86 65 parsed_2ruj 1
12
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 99 and name HN and not segid REF )
( resid 99 and name N and not segid REF ) -10.2900 1.5000
;
88 1 93 67 parsed_2ruj 1
13
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 108 and name HN and not segid REF )
( resid 108 and name N and not segid REF ) 6.6100 1.5000
;
95 1 100 65 parsed_2ruj 1
14
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 109 and name HN and not segid REF )
( resid 109 and name N and not segid REF ) 11.5600 1.5000
;
102 1 107 66 parsed_2ruj 1
15
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 112 and name HN and not segid REF )
( resid 112 and name N and not segid REF ) -14.7000 1.5000
;
109 1 114 67 parsed_2ruj 1
16
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 130 and name HN and not segid REF )
( resid 130 and name N and not segid REF ) 16.0400 1.5000
;
123 1 128 66 parsed_2ruj 1
17
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 132 and name HN and not segid REF )
( resid 132 and name N and not segid REF ) 7.4400 1.5000
;
137 1 142 65 parsed_2ruj 1
18
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 137 and name HN and not segid REF )
( resid 137 and name N and not segid REF ) 10.9500 1.5000
;
144 1 149 66 parsed_2ruj 1
19
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 139 and name HN and not segid REF )
( resid 139 and name N and not segid REF ) 9.6000 1.5000
;
151 1 156 65 parsed_2ruj 1
20
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 149 and name HN and not segid REF )
( resid 149 and name N and not segid REF ) -7.6400 1.5000
;
158 1 163 66 parsed_2ruj 1
21
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 151 and name HN and not segid REF )
( resid 151 and name N and not segid REF ) -5.0200 1.5000
;
165 1 170 66 parsed_2ruj 1
22
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 152 and name HN and not segid REF )
( resid 152 and name N and not segid REF ) -15.6500 1.5000
;
172 1 177 67 parsed_2ruj 1
stop_
save_
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