NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | item_count |
|
|
34332 |
1jr6   |
4791 | cing | recoord | 2-parsed | STAR | dihedral angle | 32 |
data_1jr6_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1jr6
_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_1jr6 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1jr6
_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 1jr6 "Master copy" parsed_1jr6
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1jr6
_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 1jr6.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1jr6 1
1 1jr6.mr . . XPLOR/CNS 2 distance NOE simple 1662 parsed_1jr6 1
1 1jr6.mr . . XPLOR/CNS 3 distance NOE simple 871 parsed_1jr6 1
1 1jr6.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 74 parsed_1jr6 1
1 1jr6.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 32 parsed_1jr6 1
1 1jr6.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1jr6 1
1 1jr6.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1jr6 1
stop_
save_
save_CNS/XPLOR_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1jr6
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 5
_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 . . 103 . n . 103 . ca . 103 . cb . 103 . cg parsed_1jr6 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -150.0 . . 101 . n . 101 . ca . 101 . cb . 101 . cg parsed_1jr6 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 105 . n . 105 . ca . 105 . cb . 105 . og parsed_1jr6 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 108 . n . 108 . ca . 108 . cb . 108 . cg parsed_1jr6 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -150.0 . . 11 . n . 11 . ca . 11 . cb . 11 . cg parsed_1jr6 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 111 . n . 111 . ca . 111 . cb . 111 . cg parsed_1jr6 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -150.0 . . 117 . n . 117 . ca . 117 . cb . 117 . cg parsed_1jr6 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -150.0 . . 119 . n . 119 . ca . 119 . cb . 119 . cg parsed_1jr6 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 130 . n . 130 . ca . 130 . cb . 130 . cg parsed_1jr6 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 131 . n . 131 . ca . 131 . cb . 131 . cg parsed_1jr6 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 132 . n . 132 . ca . 132 . cb . 132 . cg parsed_1jr6 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 16 . n . 16 . ca . 16 . cb . 16 . og parsed_1jr6 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 24 . n . 24 . ca . 24 . cb . 24 . cg parsed_1jr6 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 26 . n . 26 . ca . 26 . cb . 26 . cg parsed_1jr6 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 31 . n . 31 . ca . 31 . cb . 31 . cg parsed_1jr6 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -150.0 . . 34 . n . 34 . ca . 34 . cb . 34 . cg parsed_1jr6 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 38 . n . 38 . ca . 38 . cb . 38 . cg parsed_1jr6 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -150.0 . . 39 . n . 39 . ca . 39 . cb . 39 . cg parsed_1jr6 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 42 . n . 42 . ca . 42 . cb . 42 . sg parsed_1jr6 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 43 . n . 43 . ca . 43 . cb . 43 . cg parsed_1jr6 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 44 . n . 44 . ca . 44 . cb . 44 . og parsed_1jr6 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 46 . n . 46 . ca . 46 . cb . 46 . cg parsed_1jr6 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 48 . n . 48 . ca . 48 . cb . 48 . sg parsed_1jr6 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 50 . n . 50 . ca . 50 . cb . 50 . cg parsed_1jr6 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -150.0 . . 69 . n . 69 . ca . 69 . cb . 69 . cg parsed_1jr6 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 7 . n . 7 . ca . 7 . cb . 7 . cg parsed_1jr6 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 77 . n . 77 . ca . 77 . cb . 77 . cg parsed_1jr6 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 79 . n . 79 . ca . 79 . cb . 79 . cg parsed_1jr6 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 92 . n . 92 . ca . 92 . cb . 92 . cg parsed_1jr6 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 96 . n . 96 . ca . 96 . cb . 96 . cg parsed_1jr6 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 97 . n . 97 . ca . 97 . cb . 97 . cg parsed_1jr6 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 98 . n . 98 . ca . 98 . cb . 98 . og parsed_1jr6 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 "! residue 103" 1 1 1 15 parsed_1jr6 1
2 "! residue 101" 5 1 5 15 parsed_1jr6 1
3 "! residue 105" 9 1 9 15 parsed_1jr6 1
4 "! residue 108" 13 1 13 15 parsed_1jr6 1
5 "! residue 11" 17 1 17 14 parsed_1jr6 1
6 "! residue 111" 21 1 21 15 parsed_1jr6 1
7 "! residue 117" 25 1 25 15 parsed_1jr6 1
8 "! residue 119" 29 1 29 15 parsed_1jr6 1
9 "! residue 130" 33 1 33 15 parsed_1jr6 1
10 "! residue 131" 37 1 37 15 parsed_1jr6 1
11 "! residue 132" 41 1 41 15 parsed_1jr6 1
12 "! residue 16" 45 1 45 14 parsed_1jr6 1
13 "! residue 24" 49 1 49 14 parsed_1jr6 1
14 "! residue 26" 53 1 53 14 parsed_1jr6 1
15 "! residue 31" 57 1 57 14 parsed_1jr6 1
16 "! residue 34" 61 1 61 14 parsed_1jr6 1
17 "! residue 38" 65 1 65 14 parsed_1jr6 1
18 "! residue 39" 69 1 69 14 parsed_1jr6 1
19 "! residue 42" 73 1 73 14 parsed_1jr6 1
20 "! residue 43" 77 1 77 14 parsed_1jr6 1
21 "! residue 44" 81 1 81 14 parsed_1jr6 1
22 "! residue 46" 85 1 85 14 parsed_1jr6 1
23 "! residue 48" 89 1 89 14 parsed_1jr6 1
24 "! residue 50" 93 1 93 14 parsed_1jr6 1
25 "! residue 69" 97 1 97 14 parsed_1jr6 1
26 "! residue 7" 101 1 101 13 parsed_1jr6 1
27 "! residue 77" 105 1 105 14 parsed_1jr6 1
28 "! residue 79" 109 1 109 14 parsed_1jr6 1
29 "! residue 92" 113 1 113 14 parsed_1jr6 1
30 "! residue 96" 117 1 117 14 parsed_1jr6 1
31 "! residue 97" 121 1 121 14 parsed_1jr6 1
32 "! residue 98" 125 1 125 14 parsed_1jr6 1
stop_
save_
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