NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
31481 |
1ef4   |
4571 | cing | 2-parsed | STAR | dihedral angle | 67 |
data_1ef4_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1ef4
_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_1ef4 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1ef4
_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 1ef4 "Master copy" parsed_1ef4
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1ef4
_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 1ef4.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1ef4 1
1 1ef4.mr . . XPLOR/CNS 2 distance NOE ambi 861 parsed_1ef4 1
1 1ef4.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 67 parsed_1ef4 1
1 1ef4.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 0 parsed_1ef4 1
1 1ef4.mr . . XPLOR/CNS 5 distance "disulfide bond" simple 0 parsed_1ef4 1
1 1ef4.mr . . XPLOR/CNS 6 distance "disulfide bond" simple 0 parsed_1ef4 1
1 1ef4.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1ef4 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1ef4
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -30.000 . . 2 . N . 2 . CA . 2 . CB . 2 . CG1 parsed_1ef4 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 210.000 . . 4 . N . 4 . CA . 4 . CB . 4 . CG1 parsed_1ef4 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -30.000 . . 7 . N . 7 . CA . 7 . CB . 7 . CG parsed_1ef4 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -30.000 . . 13 . N . 13 . CA . 13 . CB . 13 . CG1 parsed_1ef4 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -30.000 . . 14 . N . 14 . CA . 14 . CB . 14 . OG parsed_1ef4 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -30.000 . . 16 . N . 16 . CA . 16 . CB . 16 . CG parsed_1ef4 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -30.000 . . 17 . N . 17 . CA . 17 . CB . 17 . CG parsed_1ef4 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 210.000 . . 24 . N . 24 . CA . 24 . CB . 24 . CG1 parsed_1ef4 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -30.000 . . 28 . N . 28 . CA . 28 . CB . 28 . CG parsed_1ef4 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 210.000 . . 33 . N . 33 . CA . 33 . CB . 33 . CG1 parsed_1ef4 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -30.000 . . 34 . N . 34 . CA . 34 . CB . 34 . CG parsed_1ef4 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -30.000 . . 37 . N . 37 . CA . 37 . CB . 37 . CG parsed_1ef4 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -30.000 . . 41 . N . 41 . CA . 41 . CB . 41 . CG parsed_1ef4 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -30.000 . . 45 . N . 45 . CA . 45 . CB . 45 . CG parsed_1ef4 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -30.000 . . 54 . N . 54 . CA . 54 . CB . 54 . CG2 parsed_1ef4 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.000 -27.000 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_1ef4 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.000 -27.000 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_1ef4 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.000 -27.000 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_1ef4 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.000 -27.000 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_1ef4 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.000 -27.000 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_1ef4 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.000 -27.000 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_1ef4 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.000 -27.000 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_1ef4 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.000 -27.000 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_1ef4 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.000 -27.000 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_1ef4 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.000 -27.000 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_1ef4 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.000 -27.000 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_1ef4 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.000 -27.000 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_1ef4 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.000 -27.000 . . 31 . C . 32 . N . 32 . CA . 32 . C parsed_1ef4 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.000 -27.000 . . 32 . C . 33 . N . 33 . CA . 33 . C parsed_1ef4 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.000 -27.000 . . 33 . C . 34 . N . 34 . CA . 34 . C parsed_1ef4 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.000 -27.000 . . 34 . C . 35 . N . 35 . CA . 35 . C parsed_1ef4 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.000 -27.000 . . 35 . C . 36 . N . 36 . CA . 36 . C parsed_1ef4 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.000 -27.000 . . 42 . C . 43 . N . 43 . CA . 43 . C parsed_1ef4 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.000 -27.000 . . 43 . C . 44 . N . 44 . CA . 44 . C parsed_1ef4 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.000 -27.000 . . 44 . C . 45 . N . 45 . CA . 45 . C parsed_1ef4 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.000 -27.000 . . 45 . C . 46 . N . 46 . CA . 46 . C parsed_1ef4 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.000 -27.000 . . 46 . C . 47 . N . 47 . CA . 47 . C parsed_1ef4 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.000 -27.000 . . 47 . C . 48 . N . 48 . CA . 48 . C parsed_1ef4 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.000 -27.000 . . 48 . C . 49 . N . 49 . CA . 49 . C parsed_1ef4 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.000 -27.000 . . 49 . C . 50 . N . 50 . CA . 50 . C parsed_1ef4 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.000 -27.000 . . 50 . C . 51 . N . 51 . CA . 51 . C parsed_1ef4 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.000 -17.000 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_1ef4 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.000 -17.000 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_1ef4 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.000 -17.000 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_1ef4 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.000 -17.000 . . 19 . N . 19 . CA . 19 . C . 20 . N parsed_1ef4 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.000 -17.000 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_1ef4 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.000 -17.000 . . 21 . N . 21 . CA . 21 . C . 22 . N parsed_1ef4 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.000 -17.000 . . 22 . N . 22 . CA . 22 . C . 23 . N parsed_1ef4 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.000 -17.000 . . 23 . N . 23 . CA . 23 . C . 24 . N parsed_1ef4 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.000 -17.000 . . 24 . N . 24 . CA . 24 . C . 25 . N parsed_1ef4 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.000 -17.000 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_1ef4 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.000 -17.000 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_1ef4 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.000 -17.000 . . 31 . N . 31 . CA . 31 . C . 32 . N parsed_1ef4 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.000 -17.000 . . 32 . N . 32 . CA . 32 . C . 33 . N parsed_1ef4 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.000 -17.000 . . 33 . N . 33 . CA . 33 . C . 34 . N parsed_1ef4 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.000 -17.000 . . 34 . N . 34 . CA . 34 . C . 35 . N parsed_1ef4 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.000 -17.000 . . 35 . N . 35 . CA . 35 . C . 36 . N parsed_1ef4 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.000 -17.000 . . 36 . N . 36 . CA . 36 . C . 37 . N parsed_1ef4 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.000 -17.000 . . 43 . N . 43 . CA . 43 . C . 44 . N parsed_1ef4 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.000 -17.000 . . 44 . N . 44 . CA . 44 . C . 45 . N parsed_1ef4 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.000 -17.000 . . 45 . N . 45 . CA . 45 . C . 46 . N parsed_1ef4 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.000 -17.000 . . 46 . N . 46 . CA . 46 . C . 47 . N parsed_1ef4 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.000 -17.000 . . 47 . N . 47 . CA . 47 . C . 48 . N parsed_1ef4 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.000 -17.000 . . 48 . N . 48 . CA . 48 . C . 49 . N parsed_1ef4 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.000 -17.000 . . 49 . N . 49 . CA . 49 . C . 50 . N parsed_1ef4 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.000 -17.000 . . 50 . N . 50 . CA . 50 . C . 51 . N parsed_1ef4 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.000 -17.000 . . 51 . N . 51 . CA . 51 . C . 52 . N parsed_1ef4 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
(dihedral.tbl)
;
1 1 4 2 parsed_1ef4 1
2 CHI1 6 80 6 85 parsed_1ef4 1
3 CHI1 8 80 8 85 parsed_1ef4 1
4 CHI1 10 79 10 84 parsed_1ef4 1
5 CHI1 12 82 12 87 parsed_1ef4 1
6 CHI1 14 81 14 86 parsed_1ef4 1
7 CHI1 16 81 16 86 parsed_1ef4 1
8 CHI1 18 81 18 86 parsed_1ef4 1
9 CHI1 20 82 20 87 parsed_1ef4 1
10 CHI1 22 81 22 86 parsed_1ef4 1
11 CHI1 24 82 24 87 parsed_1ef4 1
12 CHI1 26 81 26 86 parsed_1ef4 1
13 CHI1 28 81 28 86 parsed_1ef4 1
14 CHI1 30 81 30 86 parsed_1ef4 1
15 CHI1 32 81 32 86 parsed_1ef4 1
16 CHI1 34 82 34 87 parsed_1ef4 1
17 PHI 36 80 36 84 parsed_1ef4 1
18 PHI 38 80 38 84 parsed_1ef4 1
19 PHI 40 80 40 84 parsed_1ef4 1
20 PHI 42 80 42 84 parsed_1ef4 1
21 PHI 44 80 44 84 parsed_1ef4 1
22 PHI 46 80 46 84 parsed_1ef4 1
23 PHI 48 80 48 84 parsed_1ef4 1
24 PHI 50 80 50 84 parsed_1ef4 1
25 PHI 52 80 52 84 parsed_1ef4 1
26 PHI 54 80 54 84 parsed_1ef4 1
27 PHI 56 80 56 84 parsed_1ef4 1
28 PHI 58 80 58 84 parsed_1ef4 1
29 PHI 60 80 60 84 parsed_1ef4 1
30 PHI 62 80 62 84 parsed_1ef4 1
31 PHI 64 80 64 84 parsed_1ef4 1
32 PHI 66 80 66 84 parsed_1ef4 1
33 PHI 68 80 68 84 parsed_1ef4 1
34 PHI 70 80 70 84 parsed_1ef4 1
35 PHI 72 80 72 84 parsed_1ef4 1
36 PHI 74 80 74 84 parsed_1ef4 1
37 PHI 76 80 76 84 parsed_1ef4 1
38 PHI 78 80 78 84 parsed_1ef4 1
39 PHI 80 80 80 84 parsed_1ef4 1
40 PHI 82 80 82 84 parsed_1ef4 1
41 PHI 84 80 84 84 parsed_1ef4 1
42 PHI 86 80 86 84 parsed_1ef4 1
43 PSI 88 79 88 83 parsed_1ef4 1
44 PSI 90 79 90 83 parsed_1ef4 1
45 PSI 92 79 92 83 parsed_1ef4 1
46 PSI 94 79 94 83 parsed_1ef4 1
47 PSI 96 79 96 83 parsed_1ef4 1
48 PSI 98 79 98 83 parsed_1ef4 1
49 PSI 100 79 100 83 parsed_1ef4 1
50 PSI 102 79 102 83 parsed_1ef4 1
51 PSI 104 79 104 83 parsed_1ef4 1
52 PSI 106 79 106 83 parsed_1ef4 1
53 PSI 108 79 108 83 parsed_1ef4 1
54 PSI 110 79 110 83 parsed_1ef4 1
55 PSI 112 79 112 83 parsed_1ef4 1
56 PSI 114 79 114 83 parsed_1ef4 1
57 PSI 116 79 116 83 parsed_1ef4 1
58 PSI 118 79 118 83 parsed_1ef4 1
59 PSI 120 79 120 83 parsed_1ef4 1
60 PSI 122 79 122 83 parsed_1ef4 1
61 PSI 124 79 124 83 parsed_1ef4 1
62 PSI 126 79 126 83 parsed_1ef4 1
63 PSI 128 79 128 83 parsed_1ef4 1
64 PSI 130 79 130 83 parsed_1ef4 1
65 PSI 132 79 132 83 parsed_1ef4 1
66 PSI 134 79 134 83 parsed_1ef4 1
67 PSI 136 79 136 83 parsed_1ef4 1
68 PSI 138 79 139 2 parsed_1ef4 1
stop_
save_
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