NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
41382 |
1x2o   |
cing | 2-parsed | STAR | dipolar coupling | 62 |
data_1x2o_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1x2o
_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_1x2o 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1x2o
_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 1x2o "Master copy" parsed_1x2o
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1x2o
_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 1x2o.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1x2o 1
1 1x2o.mr . . XPLOR/CNS 2 distance NOE simple 111 parsed_1x2o 1
1 1x2o.mr . . XPLOR/CNS 3 "dipolar coupling" "Not applicable" "Not applicable" 62 parsed_1x2o 1
1 1x2o.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1x2o 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_3
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_1x2o
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 3
_RDC_constraint_list.Details "Generated by Wattos"
loop_
_RDC_constraint.ID
_RDC_constraint.Assembly_atom_ID_1
_RDC_constraint.Entity_assembly_ID_1
_RDC_constraint.Entity_ID_1
_RDC_constraint.Comp_index_ID_1
_RDC_constraint.Seq_ID_1
_RDC_constraint.Comp_ID_1
_RDC_constraint.Atom_ID_1
_RDC_constraint.Resonance_ID_1
_RDC_constraint.Assembly_atom_ID_2
_RDC_constraint.Entity_assembly_ID_2
_RDC_constraint.Entity_ID_2
_RDC_constraint.Comp_index_ID_2
_RDC_constraint.Seq_ID_2
_RDC_constraint.Comp_ID_2
_RDC_constraint.Atom_ID_2
_RDC_constraint.Resonance_ID_2
_RDC_constraint.RDC_val
_RDC_constraint.RDC_lower_bound
_RDC_constraint.RDC_upper_bound
_RDC_constraint.RDC_val_err
_RDC_constraint.Source_experiment_ID
_RDC_constraint.Auth_asym_ID_1
_RDC_constraint.Auth_seq_ID_1
_RDC_constraint.Auth_comp_ID_1
_RDC_constraint.Auth_atom_ID_1
_RDC_constraint.Auth_asym_ID_2
_RDC_constraint.Auth_seq_ID_2
_RDC_constraint.Auth_comp_ID_2
_RDC_constraint.Auth_atom_ID_2
_RDC_constraint.Entry_ID
_RDC_constraint.RDC_constraint_list_ID
1 . . . . . . . . . . . . . . . . 6.047 . . . . . 1 . C8 . 1 . H8 parsed_1x2o 1
2 . . . . . . . . . . . . . . . . 1.716 . . . . . 2 . C8 . 2 . H8 parsed_1x2o 1
3 . . . . . . . . . . . . . . . . 4.582 . . . . . 3 . C6 . 3 . H6 parsed_1x2o 1
4 . . . . . . . . . . . . . . . . 4.908 . . . . . 4 . C6 . 4 . H6 parsed_1x2o 1
5 . . . . . . . . . . . . . . . . 5.528 . . . . . 6 . C6 . 6 . H6 parsed_1x2o 1
6 . . . . . . . . . . . . . . . . 10.361 . . . . . 7 . C8 . 7 . H8 parsed_1x2o 1
7 . . . . . . . . . . . . . . . . 5.166 . . . . . 8 . C6 . 8 . H6 parsed_1x2o 1
8 . . . . . . . . . . . . . . . . 3.831 . . . . . 9 . C8 . 9 . H8 parsed_1x2o 1
9 . . . . . . . . . . . . . . . . 3.765 . . . . . 10 . C8 . 10 . H8 parsed_1x2o 1
10 . . . . . . . . . . . . . . . . 7.141 . . . . . 11 . C6 . 11 . H6 parsed_1x2o 1
11 . . . . . . . . . . . . . . . . 1.694 . . . . . 12 . C6 . 12 . H6 parsed_1x2o 1
12 . . . . . . . . . . . . . . . . 6.047 . . . . . 13 . C8 . 13 . H8 parsed_1x2o 1
13 . . . . . . . . . . . . . . . . 1.716 . . . . . 14 . C8 . 14 . H8 parsed_1x2o 1
14 . . . . . . . . . . . . . . . . 4.582 . . . . . 15 . C6 . 15 . H6 parsed_1x2o 1
15 . . . . . . . . . . . . . . . . 4.908 . . . . . 16 . C6 . 16 . H6 parsed_1x2o 1
16 . . . . . . . . . . . . . . . . 5.528 . . . . . 18 . C6 . 18 . H6 parsed_1x2o 1
17 . . . . . . . . . . . . . . . . 10.361 . . . . . 19 . C8 . 19 . H8 parsed_1x2o 1
18 . . . . . . . . . . . . . . . . 5.166 . . . . . 20 . C6 . 20 . H6 parsed_1x2o 1
19 . . . . . . . . . . . . . . . . 3.831 . . . . . 21 . C8 . 21 . H8 parsed_1x2o 1
20 . . . . . . . . . . . . . . . . 3.765 . . . . . 22 . C8 . 22 . H8 parsed_1x2o 1
21 . . . . . . . . . . . . . . . . 7.141 . . . . . 23 . C6 . 23 . H6 parsed_1x2o 1
22 . . . . . . . . . . . . . . . . 1.694 . . . . . 24 . C6 . 24 . H6 parsed_1x2o 1
23 . . . . . . . . . . . . . . . . 2.376 . . . . . 1 . C1' . 1 . H1' parsed_1x2o 1
24 . . . . . . . . . . . . . . . . 2.398 . . . . . 2 . C1' . 2 . H1' parsed_1x2o 1
25 . . . . . . . . . . . . . . . . 0.180 . . . . . 3 . C1' . 3 . H1' parsed_1x2o 1
26 . . . . . . . . . . . . . . . . 5.604 . . . . . 4 . C1' . 4 . H1' parsed_1x2o 1
27 . . . . . . . . . . . . . . . . 5.994 . . . . . 5 . C1' . 5 . H1' parsed_1x2o 1
28 . . . . . . . . . . . . . . . . 2.558 . . . . . 6 . C1' . 6 . H1' parsed_1x2o 1
29 . . . . . . . . . . . . . . . . 5.049 . . . . . 7 . C1' . 7 . H1' parsed_1x2o 1
30 . . . . . . . . . . . . . . . . 4.659 . . . . . 8 . C1' . 8 . H1' parsed_1x2o 1
31 . . . . . . . . . . . . . . . . 5.421 . . . . . 9 . C1' . 9 . H1' parsed_1x2o 1
32 . . . . . . . . . . . . . . . . 2.942 . . . . . 10 . C1' . 10 . H1' parsed_1x2o 1
33 . . . . . . . . . . . . . . . . 3.536 . . . . . 11 . C1' . 11 . H1' parsed_1x2o 1
34 . . . . . . . . . . . . . . . . 2.695 . . . . . 12 . C1' . 12 . H1' parsed_1x2o 1
35 . . . . . . . . . . . . . . . . 2.376 . . . . . 13 . C1' . 13 . H1' parsed_1x2o 1
36 . . . . . . . . . . . . . . . . 2.398 . . . . . 14 . C1' . 14 . H1' parsed_1x2o 1
37 . . . . . . . . . . . . . . . . 0.180 . . . . . 15 . C1' . 15 . H1' parsed_1x2o 1
38 . . . . . . . . . . . . . . . . 5.604 . . . . . 16 . C1' . 16 . H1' parsed_1x2o 1
39 . . . . . . . . . . . . . . . . 5.994 . . . . . 17 . C1' . 17 . H1' parsed_1x2o 1
40 . . . . . . . . . . . . . . . . 2.558 . . . . . 18 . C1' . 18 . H1' parsed_1x2o 1
41 . . . . . . . . . . . . . . . . 5.049 . . . . . 19 . C1' . 19 . H1' parsed_1x2o 1
42 . . . . . . . . . . . . . . . . 4.659 . . . . . 20 . C1' . 20 . H1' parsed_1x2o 1
43 . . . . . . . . . . . . . . . . 5.421 . . . . . 21 . C1' . 21 . H1' parsed_1x2o 1
44 . . . . . . . . . . . . . . . . 2.942 . . . . . 22 . C1' . 22 . H1' parsed_1x2o 1
45 . . . . . . . . . . . . . . . . 3.536 . . . . . 23 . C1' . 23 . H1' parsed_1x2o 1
46 . . . . . . . . . . . . . . . . 2.695 . . . . . 24 . C1' . 24 . H1' parsed_1x2o 1
47 . . . . . . . . . . . . . . . . 0.933 . . . . . 1 . C4' . 1 . H4' parsed_1x2o 1
48 . . . . . . . . . . . . . . . . 0.933 . . . . . 13 . C4' . 13 . H4' parsed_1x2o 1
49 . . . . . . . . . . . . . . . . -1.315 . . . . . 12 . C4' . 12 . H4' parsed_1x2o 1
50 . . . . . . . . . . . . . . . . -1.315 . . . . . 24 . C4' . 24 . H4' parsed_1x2o 1
51 . . . . . . . . . . . . . . . . 6.556 . . . . . 2 . C2 . 2 . H2 parsed_1x2o 1
52 . . . . . . . . . . . . . . . . 1.390 . . . . . 3 . C5 . 3 . H5 parsed_1x2o 1
53 . . . . . . . . . . . . . . . . 8.896 . . . . . 7 . C2 . 7 . H2 parsed_1x2o 1
54 . . . . . . . . . . . . . . . . 4.135 . . . . . 8 . C5 . 8 . H5 parsed_1x2o 1
55 . . . . . . . . . . . . . . . . 7.161 . . . . . 9 . C2 . 9 . H2 parsed_1x2o 1
56 . . . . . . . . . . . . . . . . 3.712 . . . . . 12 . C5 . 12 . H5 parsed_1x2o 1
57 . . . . . . . . . . . . . . . . 6.556 . . . . . 14 . C2 . 14 . H2 parsed_1x2o 1
58 . . . . . . . . . . . . . . . . 1.390 . . . . . 15 . C5 . 15 . H5 parsed_1x2o 1
59 . . . . . . . . . . . . . . . . 8.896 . . . . . 19 . C2 . 19 . H2 parsed_1x2o 1
60 . . . . . . . . . . . . . . . . 4.135 . . . . . 20 . C5 . 20 . H5 parsed_1x2o 1
61 . . . . . . . . . . . . . . . . 7.161 . . . . . 21 . C2 . 21 . H2 parsed_1x2o 1
62 . . . . . . . . . . . . . . . . 3.712 . . . . . 24 . C5 . 24 . H5 parsed_1x2o 1
stop_
loop_
_RDC_constraint_comment_org.ID
_RDC_constraint_comment_org.Comment_text
_RDC_constraint_comment_org.Comment_begin_line
_RDC_constraint_comment_org.Comment_begin_column
_RDC_constraint_comment_org.Comment_end_line
_RDC_constraint_comment_org.Comment_end_column
_RDC_constraint_comment_org.Entry_ID
_RDC_constraint_comment_org.RDC_constraint_list_ID
1
;
!ADN avec bicelles SDS, programme de xwinnmr pour les de RDC
!C-H region aromatique
;
2 1 3 24 parsed_1x2o 1
2
;
assign ( resid 25 and name OO )
( resid 25 and name Z )
( resid 25 and name X )
( resid 25 and name Y )
( resid 5 and name C8 )
( resid 5 and name H8 ) 1.141 2.000
;
37 1 42 81 parsed_1x2o 1
3
;
assign ( resid 25 and name OO )
( resid 25 and name Z )
( resid 25 and name X )
( resid 25 and name Y )
( resid 17 and name C8 )
( resid 17 and name H8 ) 1.141 2.000
;
131 1 136 74 parsed_1x2o 1
4
;
assign ( resid 25 and name OO )
( resid 25 and name Z )
( resid 25 and name X )
( resid 25 and name Y )
( resid 2 and name C4' )
( resid 2 and name H4' ) 3.341 3.000
assign ( resid 25 and name OO )
( resid 25 and name Z )
( resid 25 and name X )
( resid 25 and name Y )
( resid 14 and name C4' )
( resid 14 and name H4' ) 3.341 3.000
assign ( resid 25 and name OO )
( resid 25 and name Z )
( resid 25 and name X )
( resid 25 and name Y )
( resid 3 and name C4' )
( resid 3 and name H4' ) -0.229 2.500
assign ( resid 25 and name OO )
( resid 25 and name Z )
( resid 25 and name X )
( resid 25 and name Y )
( resid 15 and name C4' )
( resid 15 and name H4' ) -0.229 2.500
assign ( resid 25 and name OO )
( resid 25 and name Z )
( resid 25 and name X )
( resid 25 and name Y )
( resid 5 and name C4' )
( resid 5 and name H4' ) 1.115 2.500
assign ( resid 25 and name OO )
( resid 25 and name Z )
( resid 25 and name X )
( resid 25 and name Y )
( resid 17 and name C4' )
( resid 17 and name H4' ) 1.115 2.500
assign ( resid 25 and name OO )
( resid 25 and name Z )
( resid 25 and name X )
( resid 25 and name Y )
( resid 8 and name C4' )
( resid 8 and name H4' ) 12.181 2.500
assign ( resid 25 and name OO )
( resid 25 and name Z )
( resid 25 and name X )
( resid 25 and name Y )
( resid 20 and name C4' )
( resid 20 and name H4' ) 12.181 2.500
;
385 1 447 54 parsed_1x2o 1
stop_
save_
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