NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
30378 |
1cir   |
cing | 2-parsed | STAR | dihedral angle | 57 |
data_1cir_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1cir
_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_1cir 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1cir
_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 1cir "Master copy" parsed_1cir
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1cir
_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 1cir.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1cir 1
1 1cir.mr . . XPLOR/CNS 2 distance NOE simple 559 parsed_1cir 1
1 1cir.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 parsed_1cir 1
1 1cir.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 32 parsed_1cir 1
1 1cir.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1cir 1
1 1cir.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 57 parsed_1cir 1
1 1cir.mr . . n/a 7 comment "Not applicable" "Not applicable" 0 parsed_1cir 1
1 1cir.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1cir 1
stop_
save_
save_CNS/XPLOR_dihedral_6
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1cir
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 6
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 20 . c . 21 . n . 21 . ca . 21 . c parsed_1cir 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 21 . c . 22 . n . 22 . ca . 22 . c parsed_1cir 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 22 . c . 23 . n . 23 . ca . 23 . c parsed_1cir 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 120.0 . . 23 . CG . 23 . CB . 23 . CA . 23 . N parsed_1cir 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 25 . c . 26 . n . 26 . ca . 26 . c parsed_1cir 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 27 . c . 28 . n . 28 . ca . 28 . c parsed_1cir 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -120.0 . . 28 . CG1 . 28 . CB . 28 . CA . 28 . N parsed_1cir 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 29 . c . 30 . n . 30 . ca . 30 . c parsed_1cir 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -120.0 . . 30 . CG . 30 . CB . 30 . CA . 30 . N parsed_1cir 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 30 . c . 31 . n . 31 . ca . 31 . c parsed_1cir 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 120.0 . . 31 . OG . 31 . CB . 31 . CA . 31 . N parsed_1cir 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 31 . c . 32 . n . 32 . ca . 32 . c parsed_1cir 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 32 . c . 33 . n . 33 . ca . 33 . c parsed_1cir 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 33 . c . 34 . n . 34 . ca . 34 . c parsed_1cir 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 34 . c . 35 . n . 35 . ca . 35 . c parsed_1cir 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 35 . c . 36 . n . 36 . ca . 36 . c parsed_1cir 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 36 . c . 37 . n . 37 . ca . 37 . c parsed_1cir 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 37 . c . 38 . n . 38 . ca . 38 . c parsed_1cir 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 38 . c . 39 . n . 39 . ca . 39 . c parsed_1cir 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 39 . CG1 . 39 . CB . 39 . CA . 39 . N parsed_1cir 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 39 . c . 40 . n . 40 . ca . 40 . c parsed_1cir 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -120.0 . . 40 . CG . 40 . CB . 40 . CA . 40 . N parsed_1cir 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 45 . c . 46 . n . 46 . ca . 46 . c parsed_1cir 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 46 . c . 47 . n . 47 . ca . 47 . c parsed_1cir 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 47 . c . 48 . n . 48 . ca . 48 . c parsed_1cir 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -120.0 . . 48 . CG1 . 48 . CB . 48 . CA . 48 . N parsed_1cir 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 48 . c . 49 . n . 49 . ca . 49 . c parsed_1cir 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 49 . CG1 . 49 . CB . 49 . CA . 49 . N parsed_1cir 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 49 . c . 50 . n . 50 . ca . 50 . c parsed_1cir 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 50 . c . 51 . n . 51 . ca . 51 . c parsed_1cir 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 120.0 . . 51 . CG . 51 . CB . 51 . CA . 51 . N parsed_1cir 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 54 . c . 55 . n . 55 . ca . 55 . c parsed_1cir 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 61 . c . 62 . n . 62 . ca . 62 . c parsed_1cir 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 62 . c . 63 . n . 63 . ca . 63 . c parsed_1cir 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -120.0 . . 63 . CG1 . 63 . CB . 63 . CA . 63 . N parsed_1cir 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 63 . c . 64 . n . 64 . ca . 64 . c parsed_1cir 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 64 . c . 65 . n . 65 . ca . 65 . c parsed_1cir 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 65 . c . 66 . n . 66 . ca . 66 . c parsed_1cir 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -120.0 . . 66 . CG1 . 66 . CB . 66 . CA . 66 . N parsed_1cir 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 69 . CG . 69 . CB . 69 . CA . 69 . N parsed_1cir 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 69 . c . 70 . n . 70 . ca . 70 . c parsed_1cir 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 70 . CG1 . 70 . CB . 70 . CA . 70 . N parsed_1cir 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 70 . c . 71 . n . 71 . ca . 71 . c parsed_1cir 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 120.0 . . 71 . CG . 71 . CB . 71 . CA . 71 . N parsed_1cir 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 71 . c . 72 . n . 72 . ca . 72 . c parsed_1cir 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 72 . c . 73 . n . 73 . ca . 73 . c parsed_1cir 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 73 . c . 74 . n . 74 . ca . 74 . c parsed_1cir 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 120.0 . . 74 . CG . 74 . CB . 74 . CA . 74 . N parsed_1cir 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 74 . c . 75 . n . 75 . ca . 75 . c parsed_1cir 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -120.0 . . 75 . CG . 75 . CB . 75 . CA . 75 . N parsed_1cir 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 75 . c . 76 . n . 76 . ca . 76 . c parsed_1cir 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 76 . CG1 . 76 . CB . 76 . CA . 76 . N parsed_1cir 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 76 . c . 77 . n . 77 . ca . 77 . c parsed_1cir 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 77 . c . 78 . n . 78 . ca . 78 . c parsed_1cir 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 78 . c . 79 . n . 79 . ca . 79 . c parsed_1cir 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -120.0 . . 79 . CG1 . 79 . CB . 79 . CA . 79 . N parsed_1cir 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 80 . c . 81 . n . 81 . ca . 81 . c parsed_1cir 1
stop_
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1 "restraints dihedral reset" 1 1 1 25 parsed_1cir 1
stop_
save_
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