NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
36503 |
1noq   |
cing | 2-parsed | STAR | dihedral angle | 70 |
data_1noq_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1noq
_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_1noq 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1noq
_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 1noq "Master copy" parsed_1noq
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1noq
_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 1noq.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1noq 1
1 1noq.mr . . XPLOR/CNS 2 distance "hydrogen bond" simple 2 parsed_1noq 1
1 1noq.mr . . XPLOR/CNS 3 distance NOE simple 302 parsed_1noq 1
1 1noq.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 70 parsed_1noq 1
1 1noq.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1noq 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1noq
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 4
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.00 160.00 . . 101 . C5' . 101 . C4' . 101 . C3' . 101 . O3' parsed_1noq 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.00 160.00 . . 102 . C5' . 102 . C4' . 102 . C3' . 102 . O3' parsed_1noq 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.00 160.00 . . 103 . C5' . 103 . C4' . 103 . C3' . 103 . O3' parsed_1noq 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.00 160.00 . . 104 . C5' . 104 . C4' . 104 . C3' . 104 . O3' parsed_1noq 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.00 145.00 . . 105 . C5' . 105 . C4' . 105 . C3' . 105 . O3' parsed_1noq 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.00 145.00 . . 106 . C5' . 106 . C4' . 106 . C3' . 106 . O3' parsed_1noq 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.00 160.00 . . 1 . C5' . 1 . C4' . 1 . C3' . 1 . O3' parsed_1noq 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.00 160.00 . . 2 . C5' . 2 . C4' . 2 . C3' . 2 . O3' parsed_1noq 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.00 160.00 . . 3 . C5' . 3 . C4' . 3 . C3' . 3 . O3' parsed_1noq 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.00 160.00 . . 4 . C5' . 4 . C4' . 4 . C3' . 4 . O3' parsed_1noq 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.00 145.00 . . 5 . C5' . 5 . C4' . 5 . C3' . 5 . O3' parsed_1noq 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.00 145.00 . . 6 . C5' . 6 . C4' . 6 . C3' . 6 . O3' parsed_1noq 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 285.00 315.00 . . 1 . O3' . 2 . P . 2 . O5' . 2 . C5' parsed_1noq 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 285.00 315.00 . . 101 . O3' . 102 . P . 102 . O5' . 102 . C5' parsed_1noq 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 285.00 315.00 . . 2 . O3' . 3 . P . 3 . O5' . 3 . C5' parsed_1noq 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 285.00 315.00 . . 102 . O3' . 103 . P . 103 . O5' . 103 . C5' parsed_1noq 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 255.00 285.00 . . 3 . O3' . 4 . P . 4 . O5' . 4 . C5' parsed_1noq 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 255.00 285.00 . . 103 . O3' . 104 . P . 104 . O5' . 104 . C5' parsed_1noq 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 285.00 315.00 . . 4 . O3' . 5 . P . 5 . O5' . 5 . C5' parsed_1noq 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 285.00 315.00 . . 104 . O3' . 105 . P . 105 . O5' . 105 . C5' parsed_1noq 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 285.00 315.00 . . 5 . O3' . 6 . P . 6 . O5' . 6 . C5' parsed_1noq 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 285.00 315.00 . . 105 . O3' . 106 . P . 106 . O5' . 106 . C5' parsed_1noq 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 190.00 . . 2 . P . 2 . O5' . 2 . C5' . 2 . C4' parsed_1noq 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 190.00 . . 102 . P . 102 . O5' . 102 . C5' . 102 . C4' parsed_1noq 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 190.00 . . 3 . P . 3 . O5' . 3 . C5' . 3 . C4' parsed_1noq 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 190.00 . . 103 . P . 103 . O5' . 103 . C5' . 103 . C4' parsed_1noq 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.00 145.00 . . 4 . P . 4 . O5' . 4 . C5' . 4 . C4' parsed_1noq 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.00 145.00 . . 104 . P . 104 . O5' . 104 . C5' . 104 . C4' parsed_1noq 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 190.00 . . 5 . P . 5 . O5' . 5 . C5' . 5 . C4' parsed_1noq 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 190.00 . . 105 . P . 105 . O5' . 105 . C5' . 105 . C4' parsed_1noq 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 190.00 . . 6 . P . 6 . O5' . 6 . C5' . 6 . C4' parsed_1noq 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 190.00 . . 106 . P . 106 . O5' . 106 . C5' . 106 . C4' parsed_1noq 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 230.00 250.00 . . 1 . O5' . 1 . C5' . 1 . C4' . 1 . C3' parsed_1noq 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 230.00 250.00 . . 101 . O5' . 101 . C5' . 101 . C4' . 101 . C3' parsed_1noq 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55.00 65.00 . . 2 . O5' . 2 . C5' . 2 . C4' . 2 . C3' parsed_1noq 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55.00 65.00 . . 102 . O5' . 102 . C5' . 102 . C4' . 102 . C3' parsed_1noq 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55.00 65.00 . . 3 . O5' . 3 . C5' . 3 . C4' . 3 . C3' parsed_1noq 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55.00 65.00 . . 103 . O5' . 103 . C5' . 103 . C4' . 103 . C3' parsed_1noq 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 230.00 250.00 . . 4 . O5' . 4 . C5' . 4 . C4' . 4 . C3' parsed_1noq 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 230.00 250.00 . . 104 . O5' . 104 . C5' . 104 . C4' . 104 . C3' parsed_1noq 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55.00 65.00 . . 5 . O5' . 5 . C5' . 5 . C4' . 5 . C3' parsed_1noq 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55.00 65.00 . . 105 . O5' . 105 . C5' . 105 . C4' . 105 . C3' parsed_1noq 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55.00 65.00 . . 6 . O5' . 6 . C5' . 6 . C4' . 6 . C3' parsed_1noq 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55.00 65.00 . . 106 . O5' . 106 . C5' . 106 . C4' . 106 . C3' parsed_1noq 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 190.00 210.00 . . 1 . C4' . 1 . C3' . 1 . O3' . 2 . P parsed_1noq 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 190.00 210.00 . . 101 . C4' . 101 . C3' . 101 . O3' . 102 . P parsed_1noq 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 190.00 210.00 . . 2 . C4' . 2 . C3' . 2 . O3' . 3 . P parsed_1noq 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 190.00 210.00 . . 102 . C4' . 102 . C3' . 102 . O3' . 103 . P parsed_1noq 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.00 160.00 . . 3 . C4' . 3 . C3' . 3 . O3' . 4 . P parsed_1noq 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.00 160.00 . . 103 . C4' . 103 . C3' . 103 . O3' . 104 . P parsed_1noq 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 190.00 210.00 . . 4 . C4' . 4 . C3' . 4 . O3' . 5 . P parsed_1noq 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 190.00 210.00 . . 104 . C4' . 104 . C3' . 104 . O3' . 105 . P parsed_1noq 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 190.00 210.00 . . 5 . C4' . 5 . C3' . 5 . O3' . 6 . P parsed_1noq 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 190.00 210.00 . . 105 . C4' . 105 . C3' . 105 . O3' . 106 . P parsed_1noq 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 290.00 330.00 . . 1 . C3' . 1 . O3' . 2 . P . 2 . O5' parsed_1noq 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 290.00 330.00 . . 101 . C3' . 101 . O3' . 102 . P . 102 . O5' parsed_1noq 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 185.00 215.00 . . 2 . C3' . 2 . O3' . 3 . P . 3 . O5' parsed_1noq 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 185.00 215.00 . . 102 . C3' . 102 . O3' . 103 . P . 103 . O5' parsed_1noq 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 200.00 240.00 . . 3 . C3' . 3 . O3' . 4 . P . 4 . O5' parsed_1noq 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 200.00 240.00 . . 103 . C3' . 103 . O3' . 104 . P . 104 . O5' parsed_1noq 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 290.00 330.00 . . 4 . C3' . 4 . O3' . 5 . P . 5 . O5' parsed_1noq 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 290.00 330.00 . . 104 . C3' . 104 . O3' . 105 . P . 105 . O5' parsed_1noq 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 185.00 215.00 . . 5 . C3' . 5 . O3' . 6 . P . 6 . O5' parsed_1noq 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 185.00 215.00 . . 105 . C3' . 105 . O3' . 106 . P . 106 . O5' parsed_1noq 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -50.00 . . 1 . C2 . 1 . N1 . 1 . C1' . 1 . O4' parsed_1noq 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.00 -55.00 . . 2 . C2 . 2 . N1 . 2 . C1' . 2 . O4' parsed_1noq 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.00 -55.00 . . 5 . C2 . 5 . N1 . 5 . C1' . 5 . O4' parsed_1noq 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -50.00 . . 101 . C2 . 101 . N1 . 101 . C1' . 101 . O4' parsed_1noq 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.00 -55.00 . . 102 . C2 . 102 . N1 . 102 . C1' . 102 . O4' parsed_1noq 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.00 -55.00 . . 105 . C2 . 105 . N1 . 105 . C1' . 105 . O4' parsed_1noq 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1
;
Dihedral Restraints
modified (see notes, added backbone torsions) 10/16/94
C1,C2,G3,C4: 1'-2'(s),1'-2"(w),3'-2'(v.w),3'-2"(null),3'-4'(null)
C5,G6: (s) (w) (m ) (v.w) (m-)
;
1 1 4 72 parsed_1noq 1
2
;
added backbone torsions
alpha angles
;
30 1 31 21 parsed_1noq 1
3 235 32 1 32 12 parsed_1noq 1
4 350 37 1 37 12 parsed_1noq 1
5 350 42 1 42 12 parsed_1noq 1
6 25 47 1 47 13 parsed_1noq 1
7 310 52 1 52 12 parsed_1noq 1
8 "beta angles" 58 1 58 20 parsed_1noq 1
9 135 59 1 59 12 parsed_1noq 1
10 285 64 1 64 12 parsed_1noq 1
11 230 74 1 74 12 parsed_1noq 1
12 "300 10" 79 1 79 15 parsed_1noq 1
13 "gama angles" 85 1 85 20 parsed_1noq 1
14 180 86 1 86 12 parsed_1noq 1
15 10 91 1 91 11 parsed_1noq 1
16 245 97 1 97 12 parsed_1noq 1
17 305 102 1 102 12 parsed_1noq 1
18 200 112 1 112 12 parsed_1noq 1
19 "epsi angles" 117 1 117 20 parsed_1noq 1
20 "180 10" 118 1 118 16 parsed_1noq 1
21 265 123 1 123 12 parsed_1noq 1
22 330 128 1 128 12 parsed_1noq 1
23 285 133 1 133 12 parsed_1noq 1
24 235 138 1 138 12 parsed_1noq 1
25 "zeta angles" 143 1 143 20 parsed_1noq 1
26 "glycosidic angles" 169 1 169 26 parsed_1noq 1
stop_
save_
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