NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
625476 |
6cei   |
30406 | cing | 2-parsed | STAR | dihedral angle | 55 |
data_6cei_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6cei
_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_6cei 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6cei
_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 6cei "Master copy" parsed_6cei
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6cei
_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 6cei.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6cei 1
1 6cei.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 55 parsed_6cei 1
1 6cei.mr . . XPLOR/CNS 3 distance "hydrogen bond" ambi 0 parsed_6cei 1
1 6cei.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6cei 1
stop_
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6cei
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 2
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159.0 -71.8 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_6cei 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.9 175.3 . . 2 . N . 2 . CA . 2 . C . 3 . N parsed_6cei 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.5 -64.3 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_6cei 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 137.6 184.2 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_6cei 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.1 -30.1 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_6cei 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -41.7 -1.7 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_6cei 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159.2 -118.0 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_6cei 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 137.4 177.4 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_6cei 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -198.5 -73.7 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_6cei 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 141.6 181.8 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_6cei 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.1 -41.1 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_6cei 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.6 -6.8 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_6cei 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.2 -53.2 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_6cei 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.1 3.7 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_6cei 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.1 -65.1 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_6cei 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -36.1 5.3 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_6cei 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -198.0 -58.0 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_6cei 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.6 188.2 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_6cei 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -186.0 -55.6 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_6cei 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.6 183.6 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_6cei 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.5 -59.1 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_6cei 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.0 -52.4 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_6cei 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.8 157.8 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_6cei 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.8 -123.2 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_6cei 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 143.9 183.9 . . 19 . N . 19 . CA . 19 . C . 20 . N parsed_6cei 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159.8 -83.2 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_6cei 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.6 158.6 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_6cei 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.9 -81.5 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_6cei 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -163.5 -95.7 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_6cei 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.5 166.9 . . 23 . N . 23 . CA . 23 . C . 24 . N parsed_6cei 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.1 -58.3 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_6cei 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.9 149.9 . . 24 . N . 24 . CA . 24 . C . 25 . N parsed_6cei 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -154.4 -93.8 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_6cei 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.2 167.4 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_6cei 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101.8 -58.4 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_6cei 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.9 151.5 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_6cei 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -166.4 -68.6 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_6cei 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.5 190.3 . . 27 . N . 27 . CA . 27 . C . 28 . N parsed_6cei 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.1 -53.3 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_6cei 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 82.1 180.3 . . 29 . N . 29 . CA . 29 . C . 30 . N parsed_6cei 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.3 -36.5 . . 31 . C . 32 . N . 32 . CA . 32 . C parsed_6cei 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 1 . N . 1 . CA . 1 . CB . 1 . SG parsed_6cei 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 6 . N . 6 . CA . 6 . CB . 6 . CG parsed_6cei 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 8 . N . 8 . CA . 8 . CB . 8 . SG parsed_6cei 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 11 . N . 11 . CA . 11 . CB . 11 . CG parsed_6cei 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 14 . N . 14 . CA . 14 . CB . 14 . SG parsed_6cei 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 15 . N . 15 . CA . 15 . CB . 15 . SG parsed_6cei 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 17 . N . 17 . CA . 17 . CB . 17 . OG parsed_6cei 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 18 . N . 18 . CA . 18 . CB . 18 . CG parsed_6cei 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 19 . N . 19 . CA . 19 . CB . 19 . SG parsed_6cei 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 20 . N . 20 . CA . 20 . CB . 20 . SG parsed_6cei 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 24 . N . 24 . CA . 24 . CB . 24 . SG parsed_6cei 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 26 . N . 26 . CA . 26 . CB . 26 . CG parsed_6cei 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 31 . N . 31 . CA . 31 . CB . 31 . SG parsed_6cei 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 32 . N . 32 . CA . 32 . CB . 32 . CG parsed_6cei 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 file 1: restraints.tbl" 1 1 1 35 parsed_6cei 1
stop_
save_
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