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 |
|
|
53664 |
2rod   |
cing | 2-parsed | STAR | dihedral angle | 42 |
data_2rod_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2rod
_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_2rod 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2rod
_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 2rod "Master copy" parsed_2rod
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2rod
_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 2rod.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2rod 1
1 2rod.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 281 parsed_2rod 1
1 2rod.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 156 parsed_2rod 1
1 2rod.mr . . XPLOR/CNS 4 distance NOE simple 316 parsed_2rod 1
1 2rod.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 28 parsed_2rod 1
1 2rod.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 42 parsed_2rod 1
1 2rod.mr . . XPLOR/CNS 7 distance NOE simple 0 parsed_2rod 1
1 2rod.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2rod 1
stop_
save_
save_CNS/XPLOR_dihedral_6
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2rod
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 0.00 . " B" 17 . C " B" 18 . N " B" 18 . CA " B" 18 . C parsed_2rod 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -113.50 -54.90 . " B" 18 . C " B" 19 . N " B" 19 . CA " B" 19 . C parsed_2rod 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 93.70 182.00 . " B" 19 . N " B" 19 . CA " B" 19 . C " B" 20 . N parsed_2rod 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.80 -42.90 . " B" 21 . C " B" 22 . N " B" 22 . CA " B" 22 . C parsed_2rod 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.10 -13.60 . " B" 22 . N " B" 22 . CA " B" 22 . C " B" 23 . N parsed_2rod 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.90 -55.90 . " B" 22 . C " B" 23 . N " B" 23 . CA " B" 23 . C parsed_2rod 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.90 -33.50 . " B" 23 . N " B" 23 . CA " B" 23 . C " B" 24 . N parsed_2rod 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.20 -51.90 . " B" 23 . C " B" 24 . N " B" 24 . CA " B" 24 . C parsed_2rod 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.00 -26.70 . " B" 24 . N " B" 24 . CA " B" 24 . C " B" 25 . N parsed_2rod 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.80 -51.90 . " B" 24 . C " B" 25 . N " B" 25 . CA " B" 25 . C parsed_2rod 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.80 -24.60 . " B" 25 . N " B" 25 . CA " B" 25 . C " B" 26 . N parsed_2rod 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.40 -54.40 . " B" 25 . C " B" 26 . N " B" 26 . CA " B" 26 . C parsed_2rod 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.30 -30.70 . " B" 26 . N " B" 26 . CA " B" 26 . C " B" 27 . N parsed_2rod 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.80 -50.60 . " B" 26 . C " B" 27 . N " B" 27 . CA " B" 27 . C parsed_2rod 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.30 -24.40 . " B" 27 . N " B" 27 . CA " B" 27 . C " B" 28 . N parsed_2rod 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.50 -50.50 . " B" 27 . C " B" 28 . N " B" 28 . CA " B" 28 . C parsed_2rod 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.20 -37.20 . " B" 28 . N " B" 28 . CA " B" 28 . C " B" 29 . N parsed_2rod 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.90 -47.60 . " B" 28 . C " B" 29 . N " B" 29 . CA " B" 29 . C parsed_2rod 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.30 -28.90 . " B" 29 . N " B" 29 . CA " B" 29 . C " B" 30 . N parsed_2rod 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.50 -51.80 . " B" 29 . C " B" 30 . N " B" 30 . CA " B" 30 . C parsed_2rod 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.70 -34.70 . " B" 30 . N " B" 30 . CA " B" 30 . C " B" 31 . N parsed_2rod 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.50 -55.50 . " B" 30 . C " B" 31 . N " B" 31 . CA " B" 31 . C parsed_2rod 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.10 -29.10 . " B" 31 . N " B" 31 . CA " B" 31 . C " B" 32 . N parsed_2rod 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.10 -52.60 . " B" 31 . C " B" 32 . N " B" 32 . CA " B" 32 . C parsed_2rod 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.80 -26.70 . " B" 32 . N " B" 32 . CA " B" 32 . C " B" 33 . N parsed_2rod 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.00 -56.00 . " B" 32 . C " B" 33 . N " B" 33 . CA " B" 33 . C parsed_2rod 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.60 -27.70 . " B" 33 . N " B" 33 . CA " B" 33 . C " B" 34 . N parsed_2rod 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.20 -52.90 . " B" 33 . C " B" 34 . N " B" 34 . CA " B" 34 . C parsed_2rod 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.30 -28.30 . " B" 34 . N " B" 34 . CA " B" 34 . C " B" 35 . N parsed_2rod 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.20 -55.60 . " B" 34 . C " B" 35 . N " B" 35 . CA " B" 35 . C parsed_2rod 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.20 -29.80 . " B" 35 . N " B" 35 . CA " B" 35 . C " B" 36 . N parsed_2rod 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.30 -52.90 . " B" 35 . C " B" 36 . N " B" 36 . CA " B" 36 . C parsed_2rod 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.20 -26.30 . " B" 36 . N " B" 36 . CA " B" 36 . C " B" 37 . N parsed_2rod 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.60 -51.20 . " B" 36 . C " B" 37 . N " B" 37 . CA " B" 37 . C parsed_2rod 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.60 -20.00 . " B" 37 . N " B" 37 . CA " B" 37 . C " B" 38 . N parsed_2rod 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.00 -50.90 . " B" 37 . C " B" 38 . N " B" 38 . CA " B" 38 . C parsed_2rod 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.30 -10.20 . " B" 38 . N " B" 38 . CA " B" 38 . C " B" 39 . N parsed_2rod 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 0.00 . " B" 38 . C " B" 39 . N " B" 39 . CA " B" 39 . C parsed_2rod 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.50 -57.90 . " B" 39 . C " B" 40 . N " B" 40 . CA " B" 40 . C parsed_2rod 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.30 169.40 . " B" 40 . N " B" 40 . CA " B" 40 . C " B" 41 . N parsed_2rod 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 0.00 . " B" 41 . C " B" 42 . N " B" 42 . CA " B" 42 . C parsed_2rod 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -122.90 -61.00 . " B" 42 . C " B" 43 . N " B" 43 . CA " B" 43 . C parsed_2rod 1
stop_
save_
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