NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
36576 |
1ntt   |
5777 | cing | 2-parsed | STAR | dihedral angle | 59 |
data_1ntt_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1ntt
_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_1ntt 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1ntt
_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 1ntt "Master copy" parsed_1ntt
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1ntt
_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 1ntt.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1ntt 1
1 1ntt.mr . . DISCOVER 2 distance "hydrogen bond" simple 18 parsed_1ntt 1
1 1ntt.mr . . DISCOVER 3 distance NOE simple 160 parsed_1ntt 1
1 1ntt.mr . . DISCOVER 4 "dihedral angle" "Not applicable" "Not applicable" 59 parsed_1ntt 1
1 1ntt.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1ntt 1
stop_
save_
save_Discover_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1ntt
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 2 A O3' 1 3 A P 1 3 A O5' 1 3 A C5' parsed_1ntt 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 3 A O3' 1 4 A P 1 4 A O5' 1 4 A C5' parsed_1ntt 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 4 A O3' 1 5 G P 1 5 G O5' 1 5 G C5' parsed_1ntt 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 5 G O3' 1 6 G P 1 6 G O5' 1 6 G C5' parsed_1ntt 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 6 G O3' 1 7 A P 1 7 A O5' 1 7 A C5' parsed_1ntt 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 7 A O3' 1 8 G P 1 8 G O5' 1 8 G C5' parsed_1ntt 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 8 G O3' 1 9 G P 1 9 G O5' 1 9 G C5' parsed_1ntt 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 9 G O3' 1 10 A P 1 10 A O5' 1 10 A C5' parsed_1ntt 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 3 A P 1 3 A O5' 1 3 A C5' 1 3 A C4' parsed_1ntt 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 4 A P 1 4 A O5' 1 4 A C5' 1 4 A C4' parsed_1ntt 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 5 G P 1 5 G O5' 1 5 G C5' 1 5 G C4' parsed_1ntt 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 6 G P 1 6 G O5' 1 6 G C5' 1 6 G C4' parsed_1ntt 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 7 A P 1 7 A O5' 1 7 A C5' 1 7 A C4' parsed_1ntt 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 8 G P 1 8 G O5' 1 8 G C5' 1 8 G C4' parsed_1ntt 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 9 G P 1 9 G O5' 1 9 G C5' 1 9 G C4' parsed_1ntt 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 10 A P 1 10 A O5' 1 10 A C5' 1 10 A C4' parsed_1ntt 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . 1 2 A O5' 1 2 A C5' 1 2 A C4' 1 2 A C3' parsed_1ntt 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . 1 3 A O5' 1 3 A C5' 1 3 A C4' 1 3 A C3' parsed_1ntt 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . 1 4 A O5' 1 4 A C5' 1 4 A C4' 1 4 A C3' parsed_1ntt 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . 1 5 G O5' 1 5 G C5' 1 5 G C4' 1 5 G C3' parsed_1ntt 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . 1 6 G O5' 1 6 G C5' 1 6 G C4' 1 6 G C3' parsed_1ntt 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . 1 7 A O5' 1 7 A C5' 1 7 A C4' 1 7 A C3' parsed_1ntt 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . 1 8 G O5' 1 8 G C5' 1 8 G C4' 1 8 G C3' parsed_1ntt 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . 1 9 G O5' 1 9 G C5' 1 9 G C4' 1 9 G C3' parsed_1ntt 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . 1 10 A O5' 1 10 A C5' 1 10 A C4' 1 10 A C3' parsed_1ntt 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.000 110.000 . 1 2 A C5' 1 2 A C4' 1 2 A C3' 1 2 A O3' parsed_1ntt 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.000 110.000 . 1 3 A C5' 1 3 A C4' 1 3 A C3' 1 3 A O3' parsed_1ntt 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.000 110.000 . 1 4 A C5' 1 4 A C4' 1 4 A C3' 1 4 A O3' parsed_1ntt 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.000 110.000 . 1 5 G C5' 1 5 G C4' 1 5 G C3' 1 5 G O3' parsed_1ntt 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.000 110.000 . 1 6 G C5' 1 6 G C4' 1 6 G C3' 1 6 G O3' parsed_1ntt 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.000 110.000 . 1 7 A C5' 1 7 A C4' 1 7 A C3' 1 7 A O3' parsed_1ntt 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.000 110.000 . 1 8 G C5' 1 8 G C4' 1 8 G C3' 1 8 G O3' parsed_1ntt 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.000 110.000 . 1 9 G C5' 1 9 G C4' 1 9 G C3' 1 9 G O3' parsed_1ntt 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.000 110.000 . 1 10 A C5' 1 10 A C4' 1 10 A C3' 1 10 A O3' parsed_1ntt 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -100.000 . 1 2 A C4' 1 2 A C3' 1 2 A O3' 1 3 A P parsed_1ntt 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -100.000 . 1 3 A C4' 1 3 A C3' 1 3 A O3' 1 4 A P parsed_1ntt 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -100.000 . 1 4 A C4' 1 4 A C3' 1 4 A O3' 1 5 G P parsed_1ntt 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -100.000 . 1 5 G C4' 1 5 G C3' 1 5 G O3' 1 6 G P parsed_1ntt 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -100.000 . 1 6 G C4' 1 6 G C3' 1 6 G O3' 1 7 A P parsed_1ntt 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -100.000 . 1 7 A C4' 1 7 A C3' 1 7 A O3' 1 8 G P parsed_1ntt 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -100.000 . 1 8 G C4' 1 8 G C3' 1 8 G O3' 1 9 G P parsed_1ntt 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -100.000 . 1 9 G C4' 1 9 G C3' 1 9 G O3' 1 10 A P parsed_1ntt 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 2 A C3' 1 2 A O3' 1 3 A P 1 3 A O5' parsed_1ntt 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 3 A C3' 1 3 A O3' 1 4 A P 1 4 A O5' parsed_1ntt 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 4 A C3' 1 4 A O3' 1 5 G P 1 5 G O5' parsed_1ntt 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 5 G C3' 1 5 G O3' 1 6 G P 1 6 G O5' parsed_1ntt 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 6 G C3' 1 6 G O3' 1 7 A P 1 7 A O5' parsed_1ntt 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 7 A C3' 1 7 A O3' 1 8 G P 1 8 G O5' parsed_1ntt 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 8 G C3' 1 8 G O3' 1 9 G P 1 9 G O5' parsed_1ntt 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 9 G C3' 1 9 G O3' 1 10 A P 1 10 A O5' parsed_1ntt 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 2 A O4' 1 2 A C1' 1 2 A N9 1 2 A C4 parsed_1ntt 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 3 A O4' 1 3 A C1' 1 3 A N9 1 3 A C4 parsed_1ntt 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 4 A O4' 1 4 A C1' 1 4 A N9 1 4 A C4 parsed_1ntt 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 5 G O4' 1 5 G C1' 1 5 G N9 1 5 G C4 parsed_1ntt 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 6 G O4' 1 6 G C1' 1 6 G N9 1 6 G C4 parsed_1ntt 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 7 A O4' 1 7 A C1' 1 7 A N9 1 7 A C4 parsed_1ntt 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 8 G O4' 1 8 G C1' 1 8 G N9 1 8 G C4 parsed_1ntt 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 9 G O4' 1 9 G C1' 1 9 G N9 1 9 G C4 parsed_1ntt 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 10 A O4' 1 10 A C1' 1 10 A N9 1 10 A C4 parsed_1ntt 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
**********************************************
NMR_dihedral
alpha (NOT TIGHTLY RESTRAINED) P-O5'; first strand (RNA) ONLY RESTRAINED TO C3'ENDO
;
1 1 11 1 parsed_1ntt 1
2 "beta (NOT TIGHTLY RESTRAINED) O5'-C5'; first strand (RNA) ONLY RESTRAINED TO C3'ENDO" 20 1 22 1 parsed_1ntt 1
3
;
gamma C5'-C4'; first strand (RNA) ONLY RESTRAINED TO C3'ENDO
;
31 1 34 1 parsed_1ntt 1
4
;
delta C4'-C3'; first strand (RNA) ONLY RESTRAINED TO C3'ENDO
;
44 1 48 1 parsed_1ntt 1
5 "epsilon C3'-O3'; first strand (RNA) ONLY RESTRAINED TO C3'ENDO" 58 1 62 1 parsed_1ntt 1
6 "zeta O3'-P; first strand (RNA) ONLY RESTRAINED TO C3'ENDO" 71 1 74 1 parsed_1ntt 1
7
;
chi Glycosidic torsions; strand 1 (RNA) ONLY RESTRAINED TO C3'ENDO
;
83 1 87 1 parsed_1ntt 1
stop_
save_
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