NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
630350 |
6h0i   |
34298 | cing | 2-parsed | STAR | dihedral angle | 75 |
data_6h0i_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6h0i
_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_6h0i 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6h0i
_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 6h0i "Master copy" parsed_6h0i
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6h0i
_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 6h0i.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6h0i 1
1 6h0i.mr . . XPLOR/CNS 2 distance NOE ambi 699 parsed_6h0i 1
1 6h0i.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 10 parsed_6h0i 1
1 6h0i.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 75 parsed_6h0i 1
1 6h0i.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6h0i 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6h0i
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 -32.64 . " A" 6 . C " A" 7 . N " A" 7 . CA " A" 7 . C parsed_6h0i 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 31.50 . " A" 7 . N " A" 7 . CA " A" 7 . C " A" 8 . N parsed_6h0i 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -36.30 . " A" 7 . C " A" 8 . N " A" 8 . CA " A" 8 . C parsed_6h0i 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -4.06 . " A" 8 . N " A" 8 . CA " A" 8 . C " A" 9 . N parsed_6h0i 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -38.62 . " A" 8 . C " A" 9 . N " A" 9 . CA " A" 9 . C parsed_6h0i 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 8.06 . " A" 9 . N " A" 9 . CA " A" 9 . C " A" 10 . N parsed_6h0i 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -47.60 . " A" 10 . C " A" 11 . N " A" 11 . CA " A" 11 . C parsed_6h0i 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 2.18 . " A" 11 . N " A" 11 . CA " A" 11 . C " A" 12 . N parsed_6h0i 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -33.52 . " A" 11 . C " A" 12 . N " A" 12 . CA " A" 12 . C parsed_6h0i 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 14.46 . " A" 12 . N " A" 12 . CA " A" 12 . C " A" 13 . N parsed_6h0i 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.00 -32.16 . " A" 14 . C " A" 15 . N " A" 15 . CA " A" 15 . C parsed_6h0i 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 29.60 . " A" 15 . N " A" 15 . CA " A" 15 . C " A" 16 . N parsed_6h0i 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.00 -32.18 . " A" 15 . C " A" 16 . N " A" 16 . CA " A" 16 . C parsed_6h0i 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 31.20 . " A" 16 . N " A" 16 . CA " A" 16 . C " A" 17 . N parsed_6h0i 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.00 -76.70 . " A" 16 . C " A" 17 . N " A" 17 . CA " A" 17 . C parsed_6h0i 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.00 64.58 . " A" 17 . N " A" 17 . CA " A" 17 . C " A" 18 . N parsed_6h0i 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.00 -43.94 . " A" 20 . C " A" 21 . N " A" 21 . CA " A" 21 . C parsed_6h0i 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 5.16 . " A" 21 . N " A" 21 . CA " A" 21 . C " A" 22 . N parsed_6h0i 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -31.76 . " A" 21 . C " A" 22 . N " A" 22 . CA " A" 22 . C parsed_6h0i 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 11.54 . " A" 22 . N " A" 22 . CA " A" 22 . C " A" 23 . N parsed_6h0i 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -26.24 . " A" 26 . C " A" 27 . N " A" 27 . CA " A" 27 . C parsed_6h0i 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 0.44 . " A" 27 . N " A" 27 . CA " A" 27 . C " A" 28 . N parsed_6h0i 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -21.76 . " A" 27 . C " A" 28 . N " A" 28 . CA " A" 28 . C parsed_6h0i 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -20.88 . " A" 28 . N " A" 28 . CA " A" 28 . C " A" 29 . N parsed_6h0i 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.32 . " A" 29 . C " A" 30 . N " A" 30 . CA " A" 30 . C parsed_6h0i 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 3.48 . " A" 30 . N " A" 30 . CA " A" 30 . C " A" 31 . N parsed_6h0i 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.00 -33.58 . " A" 30 . C " A" 31 . N " A" 31 . CA " A" 31 . C parsed_6h0i 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 23.04 . " A" 31 . N " A" 31 . CA " A" 31 . C " A" 32 . N parsed_6h0i 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 20.26 . " A" 31 . C " A" 32 . N " A" 32 . CA " A" 32 . C parsed_6h0i 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 176.86 . " A" 32 . N " A" 32 . CA " A" 32 . C " A" 33 . N parsed_6h0i 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 -9.18 . " A" 35 . C " A" 36 . N " A" 36 . CA " A" 36 . C parsed_6h0i 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 195.20 . " A" 36 . N " A" 36 . CA " A" 36 . C " A" 37 . N parsed_6h0i 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 -72.04 . " A" 41 . C " A" 42 . N " A" 42 . CA " A" 42 . C parsed_6h0i 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.00 194.76 . " A" 42 . N " A" 42 . CA " A" 42 . C " A" 43 . N parsed_6h0i 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.00 -30.72 . " A" 42 . C " A" 43 . N " A" 43 . CA " A" 43 . C parsed_6h0i 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 154.58 . " A" 43 . N " A" 43 . CA " A" 43 . C " A" 44 . N parsed_6h0i 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.00 -109.94 . " A" 43 . C " A" 44 . N " A" 44 . CA " A" 44 . C parsed_6h0i 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.00 191.82 . " A" 44 . N " A" 44 . CA " A" 44 . C " A" 45 . N parsed_6h0i 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 -86.82 . " A" 44 . C " A" 45 . N " A" 45 . CA " A" 45 . C parsed_6h0i 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.00 -59.98 . " A" 45 . C " A" 46 . N " A" 46 . CA " A" 46 . C parsed_6h0i 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.00 180.00 . " A" 46 . N " A" 46 . CA " A" 46 . C " A" 47 . N parsed_6h0i 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -30.94 . " A" 46 . C " A" 47 . N " A" 47 . CA " A" 47 . C parsed_6h0i 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -16.80 . " A" 47 . N " A" 47 . CA " A" 47 . C " A" 48 . N parsed_6h0i 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -46.36 . " A" 47 . C " A" 48 . N " A" 48 . CA " A" 48 . C parsed_6h0i 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -19.86 . " A" 48 . N " A" 48 . CA " A" 48 . C " A" 49 . N parsed_6h0i 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . " A" 48 . C " A" 49 . N " A" 49 . CA " A" 49 . C parsed_6h0i 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -18.74 . " A" 49 . N " A" 49 . CA " A" 49 . C " A" 50 . N parsed_6h0i 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -54.38 . " A" 49 . C " A" 50 . N " A" 50 . CA " A" 50 . C parsed_6h0i 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -1.16 . " A" 50 . N " A" 50 . CA " A" 50 . C " A" 51 . N parsed_6h0i 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -36.14 . " A" 50 . C " A" 51 . N " A" 51 . CA " A" 51 . C parsed_6h0i 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -7.06 . " A" 51 . N " A" 51 . CA " A" 51 . C " A" 52 . N parsed_6h0i 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -49.94 . " A" 51 . C " A" 52 . N " A" 52 . CA " A" 52 . C parsed_6h0i 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.00 2.96 . " A" 52 . N " A" 52 . CA " A" 52 . C " A" 53 . N parsed_6h0i 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 -54.70 . " A" 52 . C " A" 53 . N " A" 53 . CA " A" 53 . C parsed_6h0i 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.00 29.34 . " A" 53 . N " A" 53 . CA " A" 53 . C " A" 54 . N parsed_6h0i 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.00 -47.50 . " A" 57 . C " A" 58 . N " A" 58 . CA " A" 58 . C parsed_6h0i 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 165.74 . " A" 58 . N " A" 58 . CA " A" 58 . C " A" 59 . N parsed_6h0i 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.00 -35.08 . " A" 58 . C " A" 59 . N " A" 59 . CA " A" 59 . C parsed_6h0i 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.00 185.62 . " A" 59 . N " A" 59 . CA " A" 59 . C " A" 60 . N parsed_6h0i 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . " A" 59 . C " A" 60 . N " A" 60 . CA " A" 60 . C parsed_6h0i 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.00 4.50 . " A" 60 . N " A" 60 . CA " A" 60 . C " A" 61 . N parsed_6h0i 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 -53.88 . " A" 60 . C " A" 61 . N " A" 61 . CA " A" 61 . C parsed_6h0i 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.00 32.16 . " A" 61 . N " A" 61 . CA " A" 61 . C " A" 62 . N parsed_6h0i 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.00 109.32 . " A" 61 . C " A" 62 . N " A" 62 . CA " A" 62 . C parsed_6h0i 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -20.00 60.30 . " A" 62 . N " A" 62 . CA " A" 62 . C " A" 63 . N parsed_6h0i 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.00 -110.48 . " A" 62 . C " A" 63 . N " A" 63 . CA " A" 63 . C parsed_6h0i 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.00 182.36 . " A" 63 . N " A" 63 . CA " A" 63 . C " A" 64 . N parsed_6h0i 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.00 -106.70 . " A" 63 . C " A" 64 . N " A" 64 . CA " A" 64 . C parsed_6h0i 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.00 179.78 . " A" 64 . N " A" 64 . CA " A" 64 . C " A" 65 . N parsed_6h0i 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.00 -110.54 . " A" 64 . C " A" 65 . N " A" 65 . CA " A" 65 . C parsed_6h0i 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.00 188.66 . " A" 65 . N " A" 65 . CA " A" 65 . C " A" 66 . N parsed_6h0i 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.00 -73.46 . " A" 65 . C " A" 66 . N " A" 66 . CA " A" 66 . C parsed_6h0i 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 160.42 . " A" 66 . N " A" 66 . CA " A" 66 . C " A" 67 . N parsed_6h0i 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -45.62 . " A" 66 . C " A" 67 . N " A" 67 . CA " A" 67 . C parsed_6h0i 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.00 180.14 . " A" 67 . N " A" 67 . CA " A" 67 . C " A" 68 . N parsed_6h0i 1
stop_
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1 "# Restraints file 3: 21_1.tbl" 1 1 1 29 parsed_6h0i 1
stop_
save_
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