NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type |
|
|
53059 |
2oq9   |
cing | 2-parsed | STAR | dipolar coupling |
data_2oq9_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2oq9
_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_2oq9 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2oq9
_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 2oq9 "Master copy" parsed_2oq9
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2oq9
_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 2oq9.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2oq9 1
1 2oq9.mr . . XPLOR/CNS 2 distance NOE simple 264 parsed_2oq9 1
1 2oq9.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 7 parsed_2oq9 1
1 2oq9.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2oq9 1
1 2oq9.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2oq9 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_4
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2oq9
_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 5 and name N )
( resid 5 and name HN ) 4.310 1.000
;
1 1 2 50 parsed_2oq9 1
2
;
assign ( resid 7 and name N )
( resid 7 and name HN ) -12.020 1.000
;
4 1 5 50 parsed_2oq9 1
3
;
assign ( resid 8 and name N )
( resid 8 and name HN ) 4.030 0.500
;
7 1 8 50 parsed_2oq9 1
4
;
assign ( resid 10 and name N )
( resid 10 and name HN ) -9.810 0.500
;
10 1 11 50 parsed_2oq9 1
5
;
assign ( resid 17 and name N )
( resid 17 and name HN ) 1.860 0.500
;
13 1 14 50 parsed_2oq9 1
6
;
assign ( resid 18 and name N )
( resid 18 and name HN ) -8.390 0.500
;
16 1 17 50 parsed_2oq9 1
7
;
assign ( resid 20 and name N )
( resid 20 and name HN ) 3.530 0.500
;
19 1 20 50 parsed_2oq9 1
8
;
assign ( resid 21 and name N )
( resid 21 and name HN ) 15.740 0.500
;
22 1 23 50 parsed_2oq9 1
9
;
assign ( resid 22 and name N )
( resid 22 and name HN ) 5.870 0.500
;
25 1 26 50 parsed_2oq9 1
10
;
assign ( resid 23 and name N )
( resid 23 and name HN ) -8.570 0.500
;
28 1 29 50 parsed_2oq9 1
11
;
assign ( resid 7 and name CA )
( resid 7 and name HA ) 0.756 1.000
;
31 1 32 50 parsed_2oq9 1
12
;
assign ( resid 11 and name CA )
( resid 11 and name HA ) -3.073 0.500
;
34 1 35 50 parsed_2oq9 1
13
;
assign ( resid 13 and name CA )
( resid 13 and name HA ) -6.588 0.500
;
37 1 38 50 parsed_2oq9 1
14
;
assign ( resid 14 and name CA )
( resid 14 and name HA ) -8.004 0.500
;
40 1 41 50 parsed_2oq9 1
15
;
assign ( resid 15 and name CA )
( resid 15 and name HA ) -2.187 0.500
;
43 1 44 50 parsed_2oq9 1
16
;
assign ( resid 16 and name CA )
( resid 16 and name HA ) 7.317 0.500
;
46 1 47 50 parsed_2oq9 1
17
;
assign ( resid 17 and name CA )
( resid 17 and name HA ) 8.700 0.500
;
49 1 50 50 parsed_2oq9 1
18
;
assign ( resid 18 and name CA )
( resid 18 and name HA ) 6.983 0.500
;
52 1 53 50 parsed_2oq9 1
19
;
assign ( resid 20 and name CA )
( resid 20 and name HA ) -1.058 0.500
;
55 1 56 50 parsed_2oq9 1
20
;
assign ( resid 21 and name CA )
( resid 21 and name HA ) -5.314 0.500
;
58 1 59 50 parsed_2oq9 1
21
;
assign ( resid 22 and name CA )
( resid 22 and name HA ) -0.119 0.500
;
61 1 62 50 parsed_2oq9 1
22
;
assign ( resid 7 and name CB )
( resid 7 and name HB ) -0.500 0.500
;
65 1 66 50 parsed_2oq9 1
23
;
assign ( resid 15 and name CA )
( resid 15 and name CB ) -2.250 0.500
;
69 1 70 50 parsed_2oq9 1
24
;
assign ( resid 18 and name CA )
( resid 18 and name CB ) 1.750 0.500
;
72 1 73 50 parsed_2oq9 1
stop_
save_
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