NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | item_count |
|
|
34194 |
1jjg   |
5077 | cing | recoord | 2-parsed | STAR | dihedral angle | 66 |
data_1jjg_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1jjg
_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_1jjg 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1jjg
_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 1jjg "Master copy" parsed_1jjg
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1jjg
_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 1jjg.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1jjg 1
1 1jjg.mr . . XPLOR/CNS 2 distance "hydrogen bond" simple 48 parsed_1jjg 1
1 1jjg.mr . . XPLOR/CNS 3 distance NOE simple 328 parsed_1jjg 1
1 1jjg.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1jjg 1
1 1jjg.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 66 parsed_1jjg 1
1 1jjg.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1jjg 1
1 1jjg.mr . . STAR 7 sequence "Not applicable" "Not applicable" 0 parsed_1jjg 1
1 1jjg.mr . . n/a 8 "chemical shift" "Not applicable" "format 3" 0 parsed_1jjg 1
1 1jjg.mr . . n/a 9 comment "Not applicable" "Not applicable" 0 parsed_1jjg 1
1 1jjg.mr . . "MR format" 10 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1jjg 1
stop_
save_
save_CNS/XPLOR_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1jjg
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -37.0 . . 64 . C . 65 . N . 65 . CA . 65 . C parsed_1jjg 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -37.0 . . 73 . C . 74 . N . 74 . CA . 74 . C parsed_1jjg 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -37.0 . . 74 . C . 75 . N . 75 . CA . 75 . C parsed_1jjg 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -37.0 . . 75 . C . 76 . N . 76 . CA . 76 . C parsed_1jjg 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -37.0 . . 76 . C . 77 . N . 77 . CA . 77 . C parsed_1jjg 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -37.0 . . 77 . C . 78 . N . 78 . CA . 78 . C parsed_1jjg 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -99.0 . . 33 . C . 34 . N . 34 . CA . 34 . C parsed_1jjg 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -99.0 . . 34 . C . 35 . N . 35 . CA . 35 . C parsed_1jjg 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -99.0 . . 35 . C . 36 . N . 36 . CA . 36 . C parsed_1jjg 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -99.0 . . 36 . C . 37 . N . 37 . CA . 37 . C parsed_1jjg 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -99.0 . . 37 . C . 38 . N . 38 . CA . 38 . C parsed_1jjg 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -99.0 . . 38 . C . 39 . N . 39 . CA . 39 . C parsed_1jjg 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -99.0 . . 39 . C . 40 . N . 40 . CA . 40 . C parsed_1jjg 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -99.0 . . 40 . C . 41 . N . 41 . CA . 41 . C parsed_1jjg 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -99.0 . . 41 . C . 42 . N . 42 . CA . 42 . C parsed_1jjg 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -99.0 . . 46 . C . 47 . N . 47 . CA . 47 . C parsed_1jjg 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -99.0 . . 47 . C . 48 . N . 48 . CA . 48 . C parsed_1jjg 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -99.0 . . 48 . C . 49 . N . 49 . CA . 49 . C parsed_1jjg 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -99.0 . . 49 . C . 50 . N . 50 . CA . 50 . C parsed_1jjg 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -99.0 . . 57 . C . 58 . N . 58 . CA . 58 . C parsed_1jjg 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -99.0 . . 58 . C . 59 . N . 59 . CA . 59 . C parsed_1jjg 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -99.0 . . 59 . C . 60 . N . 60 . CA . 60 . C parsed_1jjg 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -99.0 . . 60 . C . 61 . N . 61 . CA . 61 . C parsed_1jjg 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -99.0 . . 82 . C . 83 . N . 83 . CA . 83 . C parsed_1jjg 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -99.0 . . 83 . C . 84 . N . 84 . CA . 84 . C parsed_1jjg 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -99.0 . . 84 . C . 85 . N . 85 . CA . 85 . C parsed_1jjg 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -99.0 . . 85 . C . 86 . N . 86 . CA . 86 . C parsed_1jjg 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -99.0 . . 86 . C . 87 . N . 87 . CA . 87 . C parsed_1jjg 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -99.0 . . 87 . C . 88 . N . 88 . CA . 88 . C parsed_1jjg 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -99.0 . . 94 . C . 95 . N . 95 . CA . 95 . C parsed_1jjg 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -99.0 . . 95 . C . 96 . N . 96 . CA . 96 . C parsed_1jjg 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -99.0 . . 96 . C . 97 . N . 97 . CA . 97 . C parsed_1jjg 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -99.0 . . 97 . C . 98 . N . 98 . CA . 98 . C parsed_1jjg 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -99.0 . . 98 . C . 99 . N . 99 . CA . 99 . C parsed_1jjg 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.0 -27.0 . . 74 . N . 74 . CA . 74 . C . 75 . N parsed_1jjg 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.0 -27.0 . . 75 . N . 75 . CA . 75 . C . 76 . N parsed_1jjg 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.0 -27.0 . . 76 . N . 76 . CA . 76 . C . 77 . N parsed_1jjg 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.0 -27.0 . . 77 . N . 77 . CA . 77 . C . 78 . N parsed_1jjg 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.0 -27.0 . . 78 . N . 78 . CA . 78 . C . 79 . N parsed_1jjg 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.0 175.0 . . 34 . N . 34 . CA . 34 . C . 35 . N parsed_1jjg 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.0 175.0 . . 35 . N . 35 . CA . 35 . C . 36 . N parsed_1jjg 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.0 175.0 . . 36 . N . 36 . CA . 36 . C . 37 . N parsed_1jjg 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.0 175.0 . . 37 . N . 37 . CA . 37 . C . 38 . N parsed_1jjg 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.0 175.0 . . 38 . N . 38 . CA . 38 . C . 39 . N parsed_1jjg 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.0 175.0 . . 39 . N . 39 . CA . 39 . C . 40 . N parsed_1jjg 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.0 175.0 . . 40 . N . 40 . CA . 40 . C . 41 . N parsed_1jjg 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.0 175.0 . . 42 . N . 42 . CA . 42 . C . 43 . N parsed_1jjg 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.0 175.0 . . 47 . N . 47 . CA . 47 . C . 48 . N parsed_1jjg 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.0 175.0 . . 48 . N . 48 . CA . 48 . C . 49 . N parsed_1jjg 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.0 175.0 . . 49 . N . 49 . CA . 49 . C . 50 . N parsed_1jjg 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.0 175.0 . . 50 . N . 50 . CA . 50 . C . 51 . N parsed_1jjg 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.0 175.0 . . 58 . N . 58 . CA . 58 . C . 59 . N parsed_1jjg 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.0 175.0 . . 59 . N . 59 . CA . 59 . C . 60 . N parsed_1jjg 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.0 175.0 . . 60 . N . 60 . CA . 60 . C . 61 . N parsed_1jjg 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.0 175.0 . . 61 . N . 61 . CA . 61 . C . 62 . N parsed_1jjg 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.0 175.0 . . 83 . N . 83 . CA . 83 . C . 84 . N parsed_1jjg 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.0 175.0 . . 84 . N . 84 . CA . 84 . C . 85 . N parsed_1jjg 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.0 175.0 . . 85 . N . 85 . CA . 85 . C . 86 . N parsed_1jjg 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.0 175.0 . . 86 . N . 86 . CA . 86 . C . 87 . N parsed_1jjg 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.0 175.0 . . 87 . N . 87 . CA . 87 . C . 88 . N parsed_1jjg 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.0 175.0 . . 88 . N . 88 . CA . 88 . C . 89 . N parsed_1jjg 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.0 175.0 . . 95 . N . 95 . CA . 95 . C . 96 . N parsed_1jjg 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.0 175.0 . . 96 . N . 96 . CA . 96 . C . 97 . N parsed_1jjg 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.0 175.0 . . 97 . N . 97 . CA . 97 . C . 98 . N parsed_1jjg 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.0 175.0 . . 98 . N . 98 . CA . 98 . C . 99 . N parsed_1jjg 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.0 175.0 . . 99 . N . 99 . CA . 99 . C . 100 . N parsed_1jjg 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
;
: PHI CONSTRAINTS
: HELIX
;
1 1 3 16 parsed_1jjg 1
2 ": SHEET" 18 1 18 16 parsed_1jjg 1
3
;
: OTHER
: PSI CONSTRAINTS
: HELIX
;
79 1 83 16 parsed_1jjg 1
4 ": SHEET" 96 1 96 15 parsed_1jjg 1
stop_
save_
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