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 |
|
|
39895 |
1u2u   |
6301 | cing | 2-parsed | STAR | dihedral angle | 44 |
data_1u2u_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1u2u
_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_1u2u 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1u2u
_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 1u2u "Master copy" parsed_1u2u
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1u2u
_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 1u2u.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1u2u 1
1 1u2u.mr . . XPLOR/CNS 2 distance NOE simple 1246 parsed_1u2u 1
1 1u2u.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 44 parsed_1u2u 1
1 1u2u.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1u2u 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1u2u
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 3
_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 . . 1A . c . 1 . n . 1 . ca . 1 . c parsed_1u2u 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 1 . c . 2 . n . 2 . ca . 2 . c parsed_1u2u 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 2 . c . 3 . n . 3 . ca . 3 . c parsed_1u2u 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 3 . c . 4 . n . 4 . ca . 4 . c parsed_1u2u 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 5 . c . 6 . n . 6 . ca . 6 . c parsed_1u2u 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 7 . c . 8 . n . 8 . ca . 8 . c parsed_1u2u 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 8 . c . 9 . n . 9 . ca . 9 . c parsed_1u2u 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 9 . c . 10 . n . 10 . ca . 10 . c parsed_1u2u 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 10 . c . 11 . n . 11 . ca . 11 . c parsed_1u2u 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 12 . c . 13 . n . 13 . ca . 13 . c parsed_1u2u 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 13 . c . 14 . n . 14 . ca . 14 . c parsed_1u2u 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 14 . c . 15 . n . 15 . ca . 15 . c parsed_1u2u 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 15 . c . 16 . n . 16 . ca . 16 . c parsed_1u2u 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 16 . c . 17 . n . 17 . ca . 17 . c parsed_1u2u 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 17 . c . 18 . n . 18 . ca . 18 . c parsed_1u2u 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 19 . c . 20 . n . 20 . ca . 20 . c parsed_1u2u 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 21 . c . 22 . n . 22 . ca . 22 . c parsed_1u2u 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 22 . c . 23 . n . 23 . ca . 23 . c parsed_1u2u 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 26 . c . 27 . n . 27 . ca . 27 . c parsed_1u2u 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 27 . c . 28 . n . 28 . ca . 28 . c parsed_1u2u 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 28 . c . 29 . n . 29 . ca . 29 . c parsed_1u2u 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 31A . c . 31 . n . 31 . ca . 31 . c parsed_1u2u 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 31 . c . 32 . n . 32 . ca . 33 . c parsed_1u2u 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 32 . c . 33 . n . 33 . ca . 33 . c parsed_1u2u 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 33 . c . 34 . n . 34 . ca . 34 . c parsed_1u2u 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 35 . c . 36 . n . 36 . ca . 36 . c parsed_1u2u 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 36 . c . 37 . n . 37 . ca . 37 . c parsed_1u2u 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 37 . c . 38 . n . 38 . ca . 38 . c parsed_1u2u 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 38 . c . 39 . n . 39 . ca . 39 . c parsed_1u2u 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 39 . c . 40 . n . 40 . ca . 40 . c parsed_1u2u 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 40 . c . 41 . n . 41 . ca . 41 . c parsed_1u2u 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 42 . c . 43 . n . 43 . ca . 43 . c parsed_1u2u 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 43 . c . 44 . n . 44 . ca . 44 . c parsed_1u2u 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 44 . c . 45 . n . 45 . ca . 45 . c parsed_1u2u 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 45 . c . 46 . n . 46 . ca . 46 . c parsed_1u2u 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 46 . c . 47 . n . 47 . ca . 47 . c parsed_1u2u 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 49 . c . 50 . n . 50 . ca . 50 . c parsed_1u2u 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 50 . c . 51 . n . 51 . ca . 51 . c parsed_1u2u 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 51 . c . 52 . n . 52 . ca . 52 . c parsed_1u2u 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 52 . c . 53 . n . 53 . ca . 53 . c parsed_1u2u 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 53 . c . 54 . n . 54 . ca . 54 . c parsed_1u2u 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 54 . c . 55 . n . 55 . ca . 55 . c parsed_1u2u 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 57 . c . 58 . n . 58 . ca . 58 . c parsed_1u2u 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 58 . c . 59 . n . 59 . ca . 59 . c parsed_1u2u 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*" 2 1 2 1 parsed_1u2u 1
2 "*J-HN-HA < 6 Hz*" 4 1 4 1 parsed_1u2u 1
3 "*J-HN-HA < 6 Hz*" 10 1 10 1 parsed_1u2u 1
4 "*J-HN-HA < 6 Hz*" 16 1 16 1 parsed_1u2u 1
5 "*J-HN-HA < 6 Hz*" 22 1 22 1 parsed_1u2u 1
6 "*J-HN-HA < 6 Hz*" 28 1 28 1 parsed_1u2u 1
7 "*J-HN-HA < 6 Hz*" 34 1 34 1 parsed_1u2u 1
8 "*J-HN-HA < 6 Hz*" 40 1 40 1 parsed_1u2u 1
9 "*J-HN-HA < 6 Hz*" 46 1 46 1 parsed_1u2u 1
10 "*J-HN-HA < 6 Hz*" 52 1 52 1 parsed_1u2u 1
11 "*J-HN-HA < 6 Hz*" 58 1 58 1 parsed_1u2u 1
12 "*J-HN-HA < 6 Hz*" 64 1 64 1 parsed_1u2u 1
13 "*J-HN-HA < 6 Hz*" 70 1 70 1 parsed_1u2u 1
14 "*J-HN-HA < 6 Hz*" 75 1 75 1 parsed_1u2u 1
15 "*J-HN-HA < 6 Hz*" 81 1 81 1 parsed_1u2u 1
16 "*J-HN-HA < 6 Hz*" 87 1 87 1 parsed_1u2u 1
17 "*J-HN-HA < 6 Hz*" 93 1 93 1 parsed_1u2u 1
18 "*J-HN-HA < 6 Hz*" 99 1 99 1 parsed_1u2u 1
19 "*J-HN-HA < 6 Hz*" 105 1 105 1 parsed_1u2u 1
20 "*J-HN-HA < 6 Hz*" 111 1 111 1 parsed_1u2u 1
21 "*J-HN-HA < 6 Hz*" 117 1 117 1 parsed_1u2u 1
22 "*J-HN-HA < 6 Hz*" 122 1 122 1 parsed_1u2u 1
23 "*J-HN-HA < 6 Hz*" 128 1 128 1 parsed_1u2u 1
24 "*J-HN-HA < 6 Hz*" 134 1 134 1 parsed_1u2u 1
25 "*J-HN-HA < 6 Hz*" 140 1 140 1 parsed_1u2u 1
26 "*J-HN-HA < 6 Hz*" 146 1 146 1 parsed_1u2u 1
27 "*J-HN-HA < 6 Hz*" 152 1 152 1 parsed_1u2u 1
28 "*J-HN-HA < 6 Hz*" 158 1 158 1 parsed_1u2u 1
29 "*J-HN-HA < 6 Hz*" 164 1 164 1 parsed_1u2u 1
30 "*J-HN-HA < 6 Hz*" 170 1 170 1 parsed_1u2u 1
31 "*J-HN-HA < 6 Hz*" 176 1 176 1 parsed_1u2u 1
32 "*J-HN-HA < 6 Hz*" 182 1 182 1 parsed_1u2u 1
33 "*J-HN-HA < 6 Hz*" 188 1 188 1 parsed_1u2u 1
34 "*J-HN-HA < 6 Hz*" 194 1 194 1 parsed_1u2u 1
35 "*J-HN-HA < 6 Hz*" 200 1 200 1 parsed_1u2u 1
36 "*J-HN-HA < 6 Hz*" 206 1 206 1 parsed_1u2u 1
37 "*J-HN-HA < 6 Hz*" 212 1 212 1 parsed_1u2u 1
38 "*J-HN-HA < 6 Hz*" 218 1 218 1 parsed_1u2u 1
39 "*J-HN-HA < 6 Hz*" 224 1 224 1 parsed_1u2u 1
40 "*J-HN-HA < 6 Hz*" 230 1 230 1 parsed_1u2u 1
41 "*J-HN-HA < 6 Hz*" 236 1 236 1 parsed_1u2u 1
42 "*J-HN-HA < 6 Hz*" 242 1 242 1 parsed_1u2u 1
43 "*J-HN-HA < 6 Hz*" 248 1 248 1 parsed_1u2u 1
44 "*J-HN-HA < 6 Hz*" 254 1 254 1 parsed_1u2u 1
45 "*J-HN-HA < 6 Hz*" 260 1 260 1 parsed_1u2u 1
stop_
save_
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