NMR Restraints Grid
| |
NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
36377 |
1nev   |
cing | 2-parsed | STAR | dipolar coupling | 85 |
data_1nev_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1nev
_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_1nev 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1nev
_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 1nev "Master copy" parsed_1nev
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1nev
_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 1nev.mr . . "MR format" 1 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1nev 1
1 1nev.mr . . XPLOR/CNS 2 distance NOE simple 422 parsed_1nev 1
1 1nev.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 52 parsed_1nev 1
1 1nev.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 15 parsed_1nev 1
1 1nev.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 20 parsed_1nev 1
1 1nev.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 50 parsed_1nev 1
1 1nev.mr . . XPLOR/CNS 7 "dihedral angle" "Not applicable" "Not applicable" 50 parsed_1nev 1
1 1nev.mr . . XPLOR/CNS 8 "dihedral angle" "Not applicable" "Not applicable" 18 parsed_1nev 1
1 1nev.mr . . XPLOR/CNS 9 "dihedral angle" "Not applicable" "Not applicable" 18 parsed_1nev 1
1 1nev.mr . . XPLOR/CNS 10 "dihedral angle" "Not applicable" "Not applicable" 18 parsed_1nev 1
1 1nev.mr . . XPLOR/CNS 11 "dipolar coupling" "Not applicable" "Not applicable" 85 parsed_1nev 1
1 1nev.mr . . XPLOR/CNS 12 planarity "Not applicable" "Not applicable" 0 parsed_1nev 1
1 1nev.mr . . "MR format" 13 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1nev 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_11
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_1nev
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 11
_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 . . . . . . . . . . . . . . . . 19.91 . . . . A 1 . C1' A 1 . H1' parsed_1nev 1
2 . . . . . . . . . . . . . . . . 35.60 . . . . A 2 . C1' A 2 . H1' parsed_1nev 1
3 . . . . . . . . . . . . . . . . 19.19 . . . . A 3 . C1' A 3 . H1' parsed_1nev 1
4 . . . . . . . . . . . . . . . . 23.17 . . . . A 4 . C1' A 4 . H1' parsed_1nev 1
5 . . . . . . . . . . . . . . . . 22.42 . . . . A 5 . C1' A 5 . H1' parsed_1nev 1
6 . . . . . . . . . . . . . . . . 29.83 . . . . A 6 . C1' A 6 . H1' parsed_1nev 1
7 . . . . . . . . . . . . . . . . 37.47 . . . . A 7 . C1' A 7 . H1' parsed_1nev 1
8 . . . . . . . . . . . . . . . . 24.98 . . . . A 8 . C1' A 8 . H1' parsed_1nev 1
9 . . . . . . . . . . . . . . . . 12.36 . . . . A 9 . C1' A 9 . H1' parsed_1nev 1
10 . . . . . . . . . . . . . . . . 4.59 . . . . A 10 . C1' A 10 . H1' parsed_1nev 1
11 . . . . . . . . . . . . . . . . -2.65 . . . . B 11 . C1' B 11 . H1' parsed_1nev 1
12 . . . . . . . . . . . . . . . . 28.89 . . . . B 12 . C1' B 12 . H1' parsed_1nev 1
13 . . . . . . . . . . . . . . . . 28.27 . . . . B 13 . C1' B 13 . H1' parsed_1nev 1
14 . . . . . . . . . . . . . . . . 18.39 . . . . B 14 . C1' B 14 . H1' parsed_1nev 1
15 . . . . . . . . . . . . . . . . 26.50 . . . . B 15 . C1' B 15 . H1' parsed_1nev 1
16 . . . . . . . . . . . . . . . . 34.77 . . . . B 16 . C1' B 16 . H1' parsed_1nev 1
17 . . . . . . . . . . . . . . . . 23.86 . . . . B 17 . C1' B 17 . H1' parsed_1nev 1
18 . . . . . . . . . . . . . . . . 36.90 . . . . B 18 . C1' B 18 . H1' parsed_1nev 1
19 . . . . . . . . . . . . . . . . 13.44 . . . . B 19 . C1' B 19 . H1' parsed_1nev 1
20 . . . . . . . . . . . . . . . . 13.62 . . . . B 20 . C1' B 20 . H1' parsed_1nev 1
21 . . . . . . . . . . . . . . . . 16.93 . . . . A 4 . C2 A 4 . H2 parsed_1nev 1
22 . . . . . . . . . . . . . . . . 31.80 . . . . A 5 . C2 A 5 . H2 parsed_1nev 1
23 . . . . . . . . . . . . . . . . 38.25 . . . . A 6 . C2 A 6 . H2 parsed_1nev 1
24 . . . . . . . . . . . . . . . . 39.51 . . . . A 7 . C2 A 7 . H2 parsed_1nev 1
25 . . . . . . . . . . . . . . . . 17.32 . . . . A 1 . C3' A 1 . H3' parsed_1nev 1
26 . . . . . . . . . . . . . . . . 24.95 . . . . A 2 . C3' A 2 . H3' parsed_1nev 1
27 . . . . . . . . . . . . . . . . 15.01 . . . . A 3 . C3' A 3 . H3' parsed_1nev 1
28 . . . . . . . . . . . . . . . . 11.31 . . . . A 4 . C3' A 4 . H3' parsed_1nev 1
29 . . . . . . . . . . . . . . . . 30.88 . . . . A 5 . C3' A 5 . H3' parsed_1nev 1
30 . . . . . . . . . . . . . . . . 27.65 . . . . A 6 . C3' A 6 . H3' parsed_1nev 1
31 . . . . . . . . . . . . . . . . 32.78 . . . . A 7 . C3' A 7 . H3' parsed_1nev 1
32 . . . . . . . . . . . . . . . . 22.74 . . . . A 8 . C3' A 8 . H3' parsed_1nev 1
33 . . . . . . . . . . . . . . . . 18.82 . . . . A 9 . C3' A 9 . H3' parsed_1nev 1
34 . . . . . . . . . . . . . . . . 18.45 . . . . A 10 . C3' A 10 . H3' parsed_1nev 1
35 . . . . . . . . . . . . . . . . -7.64 . . . . B 11 . C3' B 11 . H3' parsed_1nev 1
36 . . . . . . . . . . . . . . . . 22.17 . . . . B 12 . C3' B 12 . H3' parsed_1nev 1
37 . . . . . . . . . . . . . . . . 21.41 . . . . B 13 . C3' B 13 . H3' parsed_1nev 1
38 . . . . . . . . . . . . . . . . 27.07 . . . . B 14 . C3' B 14 . H3' parsed_1nev 1
39 . . . . . . . . . . . . . . . . 30.02 . . . . B 15 . C3' B 15 . H3' parsed_1nev 1
40 . . . . . . . . . . . . . . . . 43.08 . . . . B 16 . C3' B 16 . H3' parsed_1nev 1
41 . . . . . . . . . . . . . . . . 33.50 . . . . B 17 . C3' B 17 . H3' parsed_1nev 1
42 . . . . . . . . . . . . . . . . 19.63 . . . . B 19 . C3' B 19 . H3' parsed_1nev 1
43 . . . . . . . . . . . . . . . . 13.39 . . . . B 20 . C3' B 20 . H3' parsed_1nev 1
44 . . . . . . . . . . . . . . . . 3.44 . . . . A 1 . C4' A 1 . H4' parsed_1nev 1
45 . . . . . . . . . . . . . . . . 8.44 . . . . A 2 . C4' A 2 . H4' parsed_1nev 1
46 . . . . . . . . . . . . . . . . 10.31 . . . . A 3 . C4' A 3 . H4' parsed_1nev 1
47 . . . . . . . . . . . . . . . . 5.35 . . . . A 4 . C4' A 4 . H4' parsed_1nev 1
48 . . . . . . . . . . . . . . . . 28.19 . . . . A 5 . C4' A 5 . H4' parsed_1nev 1
49 . . . . . . . . . . . . . . . . 2.17 . . . . A 6 . C4' A 6 . H4' parsed_1nev 1
50 . . . . . . . . . . . . . . . . 2.99 . . . . A 7 . C4' A 7 . H4' parsed_1nev 1
51 . . . . . . . . . . . . . . . . 22.05 . . . . A 8 . C4' A 8 . H4' parsed_1nev 1
52 . . . . . . . . . . . . . . . . 28.76 . . . . A 9 . C4' A 9 . H4' parsed_1nev 1
53 . . . . . . . . . . . . . . . . 15.47 . . . . A 10 . C4' A 10 . H4' parsed_1nev 1
54 . . . . . . . . . . . . . . . . -11.81 . . . . B 11 . C4' B 11 . H4' parsed_1nev 1
55 . . . . . . . . . . . . . . . . 3.36 . . . . B 12 . C4' B 12 . H4' parsed_1nev 1
56 . . . . . . . . . . . . . . . . 4.20 . . . . B 13 . C4' B 13 . H4' parsed_1nev 1
57 . . . . . . . . . . . . . . . . -0.12 . . . . B 14 . C4' B 14 . H4' parsed_1nev 1
58 . . . . . . . . . . . . . . . . 1.42 . . . . B 15 . C4' B 15 . H4' parsed_1nev 1
59 . . . . . . . . . . . . . . . . 5.27 . . . . B 16 . C4' B 16 . H4' parsed_1nev 1
60 . . . . . . . . . . . . . . . . 21.13 . . . . B 17 . C4' B 17 . H4' parsed_1nev 1
61 . . . . . . . . . . . . . . . . 6.96 . . . . B 18 . C4' B 18 . H4' parsed_1nev 1
62 . . . . . . . . . . . . . . . . 26.29 . . . . B 19 . C4' B 19 . H4' parsed_1nev 1
63 . . . . . . . . . . . . . . . . 21.07 . . . . B 20 . C4' B 20 . H4' parsed_1nev 1
64 . . . . . . . . . . . . . . . . 36.25 . . . . A 3 . C5 A 3 . H5 parsed_1nev 1
65 . . . . . . . . . . . . . . . . 36.77 . . . . A 8 . C5 A 8 . H5 parsed_1nev 1
66 . . . . . . . . . . . . . . . . 23.59 . . . . B 11 . C5 B 11 . H5 parsed_1nev 1
67 . . . . . . . . . . . . . . . . 24.23 . . . . B 12 . C5 B 12 . H5 parsed_1nev 1
68 . . . . . . . . . . . . . . . . 32.12 . . . . B 19 . C5 B 19 . H5 parsed_1nev 1
69 . . . . . . . . . . . . . . . . 31.57 . . . . A 3 . C6 A 3 . H6 parsed_1nev 1
70 . . . . . . . . . . . . . . . . 16.02 . . . . A 8 . C6 A 8 . H6 parsed_1nev 1
71 . . . . . . . . . . . . . . . . 39.53 . . . . B 11 . C6 B 11 . H6 parsed_1nev 1
72 . . . . . . . . . . . . . . . . 28.97 . . . . B 12 . C6 B 12 . H6 parsed_1nev 1
73 . . . . . . . . . . . . . . . . 31.20 . . . . B 14 . C6 B 14 . H6 parsed_1nev 1
74 . . . . . . . . . . . . . . . . 40.02 . . . . B 15 . C6 B 15 . H6 parsed_1nev 1
75 . . . . . . . . . . . . . . . . 28.18 . . . . B 19 . C6 B 19 . H6 parsed_1nev 1
76 . . . . . . . . . . . . . . . . 28.44 . . . . B 20 . C6 B 20 . H6 parsed_1nev 1
77 . . . . . . . . . . . . . . . . 41.98 . . . . A 1 . C8 A 1 . H8 parsed_1nev 1
78 . . . . . . . . . . . . . . . . 35.38 . . . . A 2 . C8 A 2 . H8 parsed_1nev 1
79 . . . . . . . . . . . . . . . . 26.44 . . . . A 4 . C8 A 4 . H8 parsed_1nev 1
80 . . . . . . . . . . . . . . . . 39.03 . . . . A 5 . C8 A 5 . H8 parsed_1nev 1
81 . . . . . . . . . . . . . . . . 45.13 . . . . A 6 . C8 A 6 . H8 parsed_1nev 1
82 . . . . . . . . . . . . . . . . 32.39 . . . . A 7 . C8 A 7 . H8 parsed_1nev 1
83 . . . . . . . . . . . . . . . . 28.72 . . . . A 9 . C8 A 9 . H8 parsed_1nev 1
84 . . . . . . . . . . . . . . . . 29.13 . . . . A 10 . C8 A 10 . H8 parsed_1nev 1
85 . . . . . . . . . . . . . . . . 26.66 . . . . B 13 . C8 B 13 . H8 parsed_1nev 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 "CH dipolar couplings for square well refinement" 2 1 2 50 parsed_1nev 1
2
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid B and resid 18 and name C3' )
( segid B and resid 18 and name H3' )
25.50 2.00
;
332 1 338 19 parsed_1nev 1
3
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid B and resid 20 and name C5 )
( segid B and resid 20 and name H5 )
36.63 2.00
;
556 1 562 18 parsed_1nev 1
4
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid B and resid 16 and name C6 )
( segid B and resid 16 and name H6 )
48.81 2.48
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid B and resid 17 and name C6 )
( segid B and resid 17 and name H6 )
14.53 2.38
;
613 1 627 19 parsed_1nev 1
5
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid B and resid 18 and name C8 )
( segid B and resid 18 and name H8 )
31.86 2.00
;
718 1 724 19 parsed_1nev 1
stop_
save_
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