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 |
|
|
33997 |
1j8k   |
5027 | cing | recoord | 2-parsed | STAR | dihedral angle | 51 |
data_1j8k_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1j8k
_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_1j8k 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1j8k
_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 1j8k "Master copy" parsed_1j8k
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1j8k
_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 1j8k.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1j8k 1
1 1j8k.mr . . XPLOR/CNS 2 distance "hydrogen bond" simple 54 parsed_1j8k 1
1 1j8k.mr . . XPLOR/CNS 3 distance NOE simple 816 parsed_1j8k 1
1 1j8k.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 51 parsed_1j8k 1
1 1j8k.mr . . XPLOR/CNS 5 distance NOE simple 0 parsed_1j8k 1
1 1j8k.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1j8k 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1j8k
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 4
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -10.00 . . 7 . c . 8 . n . 8 . ca . 8 . c parsed_1j8k 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -70.00 . . 8 . c . 9 . n . 9 . ca . 9 . c parsed_1j8k 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -70.00 . . 9 . c . 10 . n . 10 . ca . 10 . c parsed_1j8k 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -70.00 . . 13 . c . 14 . n . 14 . ca . 14 . c parsed_1j8k 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -10.00 . . 14 . c . 15 . n . 15 . ca . 15 . c parsed_1j8k 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -70.00 . . 18 . c . 19 . n . 19 . ca . 19 . c parsed_1j8k 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -70.00 . . 19 . c . 20 . n . 20 . ca . 20 . c parsed_1j8k 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -10.00 . . 23 . c . 24 . n . 24 . ca . 24 . c parsed_1j8k 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -70.00 . . 29 . c . 30 . n . 30 . ca . 30 . c parsed_1j8k 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -70.00 . . 32 . c . 33 . n . 33 . ca . 33 . c parsed_1j8k 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -70.00 . . 33 . c . 34 . n . 34 . ca . 34 . c parsed_1j8k 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -70.00 . . 34 . c . 35 . n . 35 . ca . 35 . c parsed_1j8k 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -70.00 . . 36 . c . 37 . n . 37 . ca . 37 . c parsed_1j8k 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -70.00 . . 43 . c . 44 . n . 44 . ca . 44 . c parsed_1j8k 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -70.00 . . 44 . c . 45 . n . 45 . ca . 45 . c parsed_1j8k 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -70.00 . . 46 . c . 47 . n . 47 . ca . 47 . c parsed_1j8k 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -10.00 . . 48 . c . 49 . n . 49 . ca . 49 . c parsed_1j8k 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -70.00 . . 52 . c . 53 . n . 53 . ca . 53 . c parsed_1j8k 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -70.00 . . 54 . c . 55 . n . 55 . ca . 55 . c parsed_1j8k 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -70.00 . . 57 . c . 58 . n . 58 . ca . 58 . c parsed_1j8k 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -70.00 . . 58 . c . 59 . n . 59 . ca . 59 . c parsed_1j8k 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -70.00 . . 59 . c . 60 . n . 60 . ca . 60 . c parsed_1j8k 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -70.00 . . 65 . c . 66 . n . 66 . ca . 66 . c parsed_1j8k 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -70.00 . . 67 . c . 68 . n . 68 . ca . 68 . c parsed_1j8k 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -70.00 . . 68 . c . 69 . n . 69 . ca . 69 . c parsed_1j8k 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -70.00 . . 69 . c . 70 . n . 70 . ca . 70 . c parsed_1j8k 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -70.00 . . 71 . c . 72 . n . 72 . ca . 72 . c parsed_1j8k 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -70.00 . . 73 . c . 74 . n . 74 . ca . 74 . c parsed_1j8k 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -70.00 . . 74 . c . 75 . n . 75 . ca . 75 . c parsed_1j8k 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -10.00 . . 81 . c . 82 . n . 82 . ca . 82 . c parsed_1j8k 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -70.00 . . 86 . c . 87 . n . 87 . ca . 87 . c parsed_1j8k 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -70.00 . . 88 . c . 89 . n . 89 . ca . 89 . c parsed_1j8k 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -10.00 . . 93 . c . 94 . n . 94 . ca . 94 . c parsed_1j8k 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . . 19 . n . 19 . ca . 19 . c . 20 . n parsed_1j8k 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . . 20 . n . 20 . ca . 20 . c . 21 . n parsed_1j8k 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . . 33 . n . 33 . ca . 33 . c . 34 . n parsed_1j8k 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . . 34 . n . 34 . ca . 34 . c . 35 . n parsed_1j8k 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . . 35 . n . 35 . ca . 35 . c . 36 . n parsed_1j8k 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . . 36 . n . 36 . ca . 36 . c . 37 . n parsed_1j8k 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . . 57 . n . 57 . ca . 57 . c . 58 . n parsed_1j8k 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . . 58 . n . 58 . ca . 58 . c . 59 . n parsed_1j8k 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . . 68 . n . 68 . ca . 68 . c . 69 . n parsed_1j8k 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . . 69 . n . 69 . ca . 69 . c . 70 . n parsed_1j8k 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . . 70 . n . 70 . ca . 70 . c . 71 . n parsed_1j8k 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . . 71 . n . 71 . ca . 71 . c . 72 . n parsed_1j8k 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . . 72 . n . 72 . ca . 72 . c . 73 . n parsed_1j8k 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . . 73 . n . 73 . ca . 73 . c . 74 . n parsed_1j8k 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . . 85 . n . 85 . ca . 85 . c . 86 . n parsed_1j8k 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . . 86 . n . 86 . ca . 86 . c . 87 . n parsed_1j8k 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . . 87 . n . 87 . ca . 87 . c . 88 . n parsed_1j8k 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . . 88 . n . 88 . ca . 88 . c . 89 . n parsed_1j8k 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 "L 8 J= 4.42Hz" 1 1 1 18 parsed_1j8k 1
2 "A 9 J= 9.14Hz" 4 1 4 18 parsed_1j8k 1
3 "F 10 J= 8.31Hz" 7 1 7 18 parsed_1j8k 1
4 "D 14 J= 8.75Hz" 10 1 10 18 parsed_1j8k 1
5 "V 15 J= 4.23Hz" 13 1 13 18 parsed_1j8k 1
6 "K 19 J= 8.05Hz" 16 1 16 18 parsed_1j8k 1
7 "I 20 J= 8.16Hz" 19 1 19 18 parsed_1j8k 1
8 "S 24 J= 2.85Hz" 22 1 22 18 parsed_1j8k 1
9 "S 30 J= 9.78Hz" 25 1 25 18 parsed_1j8k 1
10 "R 33 J= 8.92Hz" 28 1 28 18 parsed_1j8k 1
11 "V 34 J= 8.30Hz" 31 1 31 18 parsed_1j8k 1
12 "T 35 J= 8.18Hz" 34 1 34 18 parsed_1j8k 1
13 "S 37 J= 7.63Hz" 37 1 37 18 parsed_1j8k 1
14 "H 44 J= 8.72Hz" 40 1 40 18 parsed_1j8k 1
15 "H 45 J= 8.72Hz" 43 1 43 18 parsed_1j8k 1
16 "F 47 J= 8.72Hz" 46 1 46 18 parsed_1j8k 1
17 "A 49 J= 4.35Hz" 49 1 49 18 parsed_1j8k 1
18 "E 53 J= 7.71Hz" 52 1 52 18 parsed_1j8k 1
19 "D 55 J= 7.74Hz" 55 1 55 18 parsed_1j8k 1
20 "E 58 J= 7.83Hz" 58 1 58 18 parsed_1j8k 1
21 "L 59 J= 8.40Hz" 61 1 61 18 parsed_1j8k 1
22 "Q 60 J= 7.95Hz" 64 1 64 18 parsed_1j8k 1
23 "66 J=" 67 1 67 12 parsed_1j8k 1
24 "Y 68 J= 7.96Hz" 70 1 70 18 parsed_1j8k 1
25 "T 69 J= 9.06Hz" 73 1 73 18 parsed_1j8k 1
26 "V 70 J= 9.48Hz" 76 1 76 18 parsed_1j8k 1
27 "V 72 J= 7.58Hz" 79 1 79 18 parsed_1j8k 1
28 "A 74 J= 8.12Hz" 82 1 82 18 parsed_1j8k 1
29 "L 75 J= 8.31Hz" 85 1 85 18 parsed_1j8k 1
30 "Q 82 J= 5.19Hz" 88 1 88 18 parsed_1j8k 1
31 "T 87 J= 8.63Hz" 91 1 91 18 parsed_1j8k 1
32 "T 89 J= 8.63Hz" 94 1 94 18 parsed_1j8k 1
33 "A 94 J= 5.46Hz" 97 1 97 18 parsed_1j8k 1
stop_
save_
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