NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
29906 |
1bjh   |
cing | 2-parsed | STAR | dihedral angle | 49 |
data_1bjh_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1bjh
_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_1bjh 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1bjh
_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 1bjh "Master copy" parsed_1bjh
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1bjh
_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 1bjh.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1bjh 1
1 1bjh.mr . . DISCOVER 2 distance "hydrogen bond" simple 11 parsed_1bjh 1
1 1bjh.mr . . DISCOVER 3 distance NOE simple 159 parsed_1bjh 1
1 1bjh.mr . . DISCOVER 4 distance "general distance" simple 13 parsed_1bjh 1
1 1bjh.mr . . DISCOVER 5 "dihedral angle" "Not applicable" "Not applicable" 49 parsed_1bjh 1
1 1bjh.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1bjh 1
stop_
save_
save_Discover_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1bjh
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 5
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . 1 6 A O3' 1 7 A P 1 7 A O5' 1 7 A C5' parsed_1bjh 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 -160.0 . 1 7 A O5' 1 7 A C5' 1 7 A C4' 1 7 A C3' parsed_1bjh 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 -160.0 . 1 7 A C4' 1 7 A C3' 1 7 A O3' 1 8 G P parsed_1bjh 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . 1 7 A C3' 1 7 A O3' 1 8 G P 1 8 G O5' parsed_1bjh 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . 1 5 A O3' 1 6 A P 1 6 A O5' 1 6 A C5' parsed_1bjh 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 -150.0 . 1 6 A P 1 6 A O5' 1 6 A C5' 1 6 A C4' parsed_1bjh 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . 1 6 A O5' 1 6 A C5' 1 6 A C4' 1 6 A C3' parsed_1bjh 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 -160.0 . 1 6 A C4' 1 6 A C3' 1 6 A O3' 1 7 A P parsed_1bjh 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . 1 6 A C3' 1 6 A O3' 1 7 A P 1 7 A O5' parsed_1bjh 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . 1 4 C O3' 1 5 A P 1 5 A O5' 1 5 A C5' parsed_1bjh 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 -150.0 . 1 5 A P 1 5 A O5' 1 5 A C5' 1 5 A C4' parsed_1bjh 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . 1 5 A O5' 1 5 A C5' 1 5 A C4' 1 5 A C3' parsed_1bjh 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 -160.0 . 1 5 A C4' 1 5 A C3' 1 5 A O3' 1 6 A P parsed_1bjh 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . 1 5 A C3' 1 5 A O3' 1 6 A P 1 6 A O5' parsed_1bjh 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . 1 3 A O3' 1 4 C P 1 4 C O5' 1 4 C C5' parsed_1bjh 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 -150.0 . 1 4 C P 1 4 C O5' 1 4 C C5' 1 4 C C4' parsed_1bjh 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . 1 4 C O5' 1 4 C C5' 1 4 C C4' 1 4 C C3' parsed_1bjh 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 -160.0 . 1 4 C C4' 1 4 C C3' 1 4 C O3' 1 5 A P parsed_1bjh 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . 1 4 C C3' 1 4 C O3' 1 5 A P 1 5 A O5' parsed_1bjh 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . 1 2 T O3' 1 3 A P 1 3 A O5' 1 3 A C5' parsed_1bjh 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 -150.0 . 1 3 A P 1 3 A O5' 1 3 A C5' 1 3 A C4' parsed_1bjh 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . 1 3 A O5' 1 3 A C5' 1 3 A C4' 1 3 A C3' parsed_1bjh 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 -160.0 . 1 3 A C4' 1 3 A C3' 1 3 A O3' 1 4 C P parsed_1bjh 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . 1 3 A C3' 1 3 A O3' 1 4 C P 1 4 C O5' parsed_1bjh 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . 1 1 G5' O3' 1 2 T P 1 2 T O5' 1 2 T C5' parsed_1bjh 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 -150.0 . 1 2 T P 1 2 T O5' 1 2 T C5' 1 2 T C4' parsed_1bjh 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . 1 2 T O5' 1 2 T C5' 1 2 T C4' 1 2 T C3' parsed_1bjh 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 -160.0 . 1 2 T C4' 1 2 T C3' 1 2 T O3' 1 3 A P parsed_1bjh 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . 1 2 T C3' 1 2 T O3' 1 3 A P 1 3 A O5' parsed_1bjh 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.0 -110.0 . 1 1 G5' C4' 1 1 G5' C3' 1 1 G5' O3' 1 2 T P parsed_1bjh 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . 1 1 G5' C3' 1 1 G5' O3' 1 2 T P 1 2 T O5' parsed_1bjh 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . 1 7 A O3' 1 8 G P 1 8 G O5' 1 8 G C5' parsed_1bjh 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 -150.0 . 1 8 G P 1 8 G O5' 1 8 G C5' 1 8 G C4' parsed_1bjh 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . 1 8 G O5' 1 8 G C5' 1 8 G C4' 1 8 G C3' parsed_1bjh 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 -160.0 . 1 8 G C4' 1 8 G C3' 1 8 G O3' 1 9 T P parsed_1bjh 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . 1 8 G C3' 1 8 G O3' 1 9 T P 1 9 T O5' parsed_1bjh 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . 1 8 G O3' 1 9 T P 1 9 T O5' 1 9 T C5' parsed_1bjh 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 -150.0 . 1 9 T P 1 9 T O5' 1 9 T C5' 1 9 T C4' parsed_1bjh 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . 1 9 T O5' 1 9 T C5' 1 9 T C4' 1 9 T C3' parsed_1bjh 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 -160.0 . 1 9 T C4' 1 9 T C3' 1 9 T O3' 1 10 A P parsed_1bjh 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . 1 9 T C3' 1 9 T O3' 1 10 A P 1 10 A O5' parsed_1bjh 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . 1 9 T O3' 1 10 A P 1 10 A O5' 1 10 A C5' parsed_1bjh 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 -150.0 . 1 10 A P 1 10 A O5' 1 10 A C5' 1 10 A C4' parsed_1bjh 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . 1 10 A O5' 1 10 A C5' 1 10 A C4' 1 10 A C3' parsed_1bjh 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 -160.0 . 1 10 A C4' 1 10 A C3' 1 10 A O3' 1 11 C3' P parsed_1bjh 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . 1 10 A C3' 1 10 A O3' 1 11 C3' P 1 11 C3' O5' parsed_1bjh 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . 1 10 A O3' 1 11 C3' P 1 11 C3' O5' 1 11 C3' C5' parsed_1bjh 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 -100.0 . 1 11 C3' P 1 11 C3' O5' 1 11 C3' C5' 1 11 C3' C4' parsed_1bjh 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.0 110.0 . 1 11 C3' O5' 1 11 C3' C5' 1 11 C3' C4' 1 11 C3' C3' parsed_1bjh 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
;
NMR_dihedral
7A
alpha
;
1 1 3 6 parsed_1bjh 1
2
;
beta temp
1:A_7:P 1:A_7:O5' 1:A_7:C5' 1:A_7:C4' 30.0 90.0 10.00 10.00 100.00
gamma
;
5 1 7 6 parsed_1bjh 1
3 epsilo 9 1 9 7 parsed_1bjh 1
4 zeta 11 1 11 5 parsed_1bjh 1
5
;
!
!
6A
Alpha
;
13 1 16 6 parsed_1bjh 1
6 "beta temp" 18 1 18 10 parsed_1bjh 1
7 gamma 20 1 20 6 parsed_1bjh 1
8 epsilo 22 1 22 7 parsed_1bjh 1
9 zeta 24 1 24 5 parsed_1bjh 1
10
;
!
!
5A
alpha
;
26 1 29 6 parsed_1bjh 1
11 "beta temp" 31 1 31 10 parsed_1bjh 1
12 gamma 33 1 33 6 parsed_1bjh 1
13 epsilo 35 1 35 7 parsed_1bjh 1
14 zeta 37 1 37 5 parsed_1bjh 1
15
;
!
!
4C
alpha
;
39 1 42 6 parsed_1bjh 1
16 "beta temp" 44 1 44 10 parsed_1bjh 1
17 gamma 46 1 46 6 parsed_1bjh 1
18 epsilo 48 1 48 7 parsed_1bjh 1
19 zeta 50 1 50 5 parsed_1bjh 1
20
;
!
!
3A
alpha
;
52 1 55 6 parsed_1bjh 1
21 "beta temp" 57 1 57 10 parsed_1bjh 1
22 gamma 59 1 59 6 parsed_1bjh 1
23 epsilo 61 1 61 7 parsed_1bjh 1
24 zeta 63 1 63 5 parsed_1bjh 1
25
;
!
!
2T
alpha
;
65 1 68 6 parsed_1bjh 1
26 "beta temp" 70 1 70 10 parsed_1bjh 1
27 gamma 72 1 72 6 parsed_1bjh 1
28 epsilo 74 1 74 7 parsed_1bjh 1
29 zeta 76 1 76 5 parsed_1bjh 1
30
;
!
!
1G
epsilo
;
78 1 81 7 parsed_1bjh 1
31 zeta 83 1 83 5 parsed_1bjh 1
32
;
!
!
8G
alpha
;
85 1 88 6 parsed_1bjh 1
33 "beta temp" 90 1 90 10 parsed_1bjh 1
34 gamma 92 1 92 6 parsed_1bjh 1
35 epsilo 94 1 94 7 parsed_1bjh 1
36 zeta 96 1 96 5 parsed_1bjh 1
37
;
!
!
9T
alpha
;
98 1 101 6 parsed_1bjh 1
38 "beta temp" 103 1 103 10 parsed_1bjh 1
39 gamma 105 1 105 6 parsed_1bjh 1
40 epsilo 107 1 107 7 parsed_1bjh 1
41 zeta 109 1 109 5 parsed_1bjh 1
42
;
!
!
10A
alpha
;
111 1 114 6 parsed_1bjh 1
43 "beta temp" 116 1 116 10 parsed_1bjh 1
44 gamma 118 1 118 6 parsed_1bjh 1
45 epsilo 120 1 120 7 parsed_1bjh 1
46 zeta 122 1 122 5 parsed_1bjh 1
47
;
!
!
11C
alpha
;
124 1 127 6 parsed_1bjh 1
48 "beta temp" 129 1 129 10 parsed_1bjh 1
49 gamma 131 1 131 6 parsed_1bjh 1
stop_
save_
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