NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
617761 |
5msl   |
34082 | cing | 2-parsed | STAR | dihedral angle | 72 |
data_5msl_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5msl
_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_5msl 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5msl
_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 5msl "Master copy" parsed_5msl
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5msl
_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 5msl.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5msl 1
1 5msl.mr . . XPLOR/CNS 2 distance NOE ambi 1077 parsed_5msl 1
1 5msl.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 72 parsed_5msl 1
1 5msl.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5msl 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_5msl
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.75 174.79 . " A" 1 . N " A" 1 . CA " A" 1 . C " A" 2 . N parsed_5msl 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.90 -16.30 . " A" 0 . C " A" 1 . N " A" 1 . CA " A" 1 . C parsed_5msl 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.52 154.14 . " A" 3 . N " A" 3 . CA " A" 3 . C " A" 4 . N parsed_5msl 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -143.30 -68.60 . " A" 2 . C " A" 3 . N " A" 3 . CA " A" 3 . C parsed_5msl 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 124.92 161.40 . " A" 4 . N " A" 4 . CA " A" 4 . C " A" 5 . N parsed_5msl 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -177.13 -78.63 . " A" 3 . C " A" 4 . N " A" 4 . CA " A" 4 . C parsed_5msl 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.21 153.53 . " A" 5 . N " A" 5 . CA " A" 5 . C " A" 6 . N parsed_5msl 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.95 -82.73 . " A" 4 . C " A" 5 . N " A" 5 . CA " A" 5 . C parsed_5msl 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.65 177.07 . " A" 6 . N " A" 6 . CA " A" 6 . C " A" 7 . N parsed_5msl 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151.55 -112.49 . " A" 5 . C " A" 6 . N " A" 6 . CA " A" 6 . C parsed_5msl 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.81 146.99 . " A" 7 . N " A" 7 . CA " A" 7 . C " A" 8 . N parsed_5msl 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.69 -73.91 . " A" 6 . C " A" 7 . N " A" 7 . CA " A" 7 . C parsed_5msl 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.88 149.18 . " A" 8 . N " A" 8 . CA " A" 8 . C " A" 9 . N parsed_5msl 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.80 -50.20 . " A" 7 . C " A" 8 . N " A" 8 . CA " A" 8 . C parsed_5msl 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -43.41 21.87 . " A" 10 . N " A" 10 . CA " A" 10 . C " A" 11 . N parsed_5msl 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -127.65 -70.91 . " A" 9 . C " A" 10 . N " A" 10 . CA " A" 10 . C parsed_5msl 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.76 159.76 . " A" 13 . N " A" 13 . CA " A" 13 . C " A" 14 . N parsed_5msl 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -112.32 -58.86 . " A" 12 . C " A" 13 . N " A" 13 . CA " A" 13 . C parsed_5msl 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.60 12.28 . " A" 14 . N " A" 14 . CA " A" 14 . C " A" 15 . N parsed_5msl 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -143.53 -49.71 . " A" 13 . C " A" 14 . N " A" 14 . CA " A" 14 . C parsed_5msl 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.82 0.88 . " A" 25 . N " A" 25 . CA " A" 25 . C " A" 26 . N parsed_5msl 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.60 -39.90 . " A" 24 . C " A" 25 . N " A" 25 . CA " A" 25 . C parsed_5msl 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.50 9.04 . " A" 34 . N " A" 34 . CA " A" 34 . C " A" 35 . N parsed_5msl 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101.26 -27.40 . " A" 33 . C " A" 34 . N " A" 34 . CA " A" 34 . C parsed_5msl 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.65 -26.37 . " A" 35 . N " A" 35 . CA " A" 35 . C " A" 36 . N parsed_5msl 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.75 -50.55 . " A" 34 . C " A" 35 . N " A" 35 . CA " A" 35 . C parsed_5msl 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.71 -27.55 . " A" 36 . N " A" 36 . CA " A" 36 . C " A" 37 . N parsed_5msl 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.11 -52.19 . " A" 35 . C " A" 36 . N " A" 36 . CA " A" 36 . C parsed_5msl 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.60 -7.44 . " A" 37 . N " A" 37 . CA " A" 37 . C " A" 38 . N parsed_5msl 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.82 -37.80 . " A" 36 . C " A" 37 . N " A" 37 . CA " A" 37 . C parsed_5msl 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.67 -14.07 . " A" 38 . N " A" 38 . CA " A" 38 . C " A" 39 . N parsed_5msl 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.62 -51.08 . " A" 37 . C " A" 38 . N " A" 38 . CA " A" 38 . C parsed_5msl 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.69 -13.55 . " A" 39 . N " A" 39 . CA " A" 39 . C " A" 40 . N parsed_5msl 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.13 -53.01 . " A" 38 . C " A" 39 . N " A" 39 . CA " A" 39 . C parsed_5msl 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -43.18 21.72 . " A" 40 . N " A" 40 . CA " A" 40 . C " A" 41 . N parsed_5msl 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -121.32 -64.54 . " A" 39 . C " A" 40 . N " A" 40 . CA " A" 40 . C parsed_5msl 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 82.69 182.33 . " A" 44 . N " A" 44 . CA " A" 44 . C " A" 45 . N parsed_5msl 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156.04 -36.40 . " A" 43 . C " A" 44 . N " A" 44 . CA " A" 44 . C parsed_5msl 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.47 -11.73 . " A" 45 . N " A" 45 . CA " A" 45 . C " A" 46 . N parsed_5msl 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.87 -47.05 . " A" 44 . C " A" 45 . N " A" 45 . CA " A" 45 . C parsed_5msl 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -20.00 18.44 . " A" 46 . N " A" 46 . CA " A" 46 . C " A" 47 . N parsed_5msl 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109.04 -57.08 . " A" 45 . C " A" 46 . N " A" 46 . CA " A" 46 . C parsed_5msl 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -33.34 25.74 . " A" 47 . N " A" 47 . CA " A" 47 . C " A" 48 . N parsed_5msl 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 72.86 105.62 . " A" 46 . C " A" 47 . N " A" 47 . CA " A" 47 . C parsed_5msl 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.22 171.92 . " A" 49 . N " A" 49 . CA " A" 49 . C " A" 50 . N parsed_5msl 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.42 -37.68 . " A" 48 . C " A" 49 . N " A" 49 . CA " A" 49 . C parsed_5msl 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 92.75 159.07 . " A" 50 . N " A" 50 . CA " A" 50 . C " A" 51 . N parsed_5msl 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136.62 -74.96 . " A" 49 . C " A" 50 . N " A" 50 . CA " A" 50 . C parsed_5msl 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.10 143.04 . " A" 51 . N " A" 51 . CA " A" 51 . C " A" 52 . N parsed_5msl 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -137.80 -78.60 . " A" 50 . C " A" 51 . N " A" 51 . CA " A" 51 . C parsed_5msl 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.27 135.87 . " A" 52 . N " A" 52 . CA " A" 52 . C " A" 53 . N parsed_5msl 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -134.24 -79.28 . " A" 51 . C " A" 52 . N " A" 52 . CA " A" 52 . C parsed_5msl 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99.25 188.23 . " A" 53 . N " A" 53 . CA " A" 53 . C " A" 54 . N parsed_5msl 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -157.28 -73.50 . " A" 52 . C " A" 53 . N " A" 53 . CA " A" 53 . C parsed_5msl 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.97 136.25 . " A" 54 . N " A" 54 . CA " A" 54 . C " A" 55 . N parsed_5msl 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -137.17 -87.49 . " A" 53 . C " A" 54 . N " A" 54 . CA " A" 54 . C parsed_5msl 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 147.10 186.78 . " A" 55 . N " A" 55 . CA " A" 55 . C " A" 56 . N parsed_5msl 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -132.38 -43.20 . " A" 54 . C " A" 55 . N " A" 55 . CA " A" 55 . C parsed_5msl 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.54 -28.52 . " A" 57 . N " A" 57 . CA " A" 57 . C " A" 58 . N parsed_5msl 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.80 -51.84 . " A" 56 . C " A" 57 . N " A" 57 . CA " A" 57 . C parsed_5msl 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.73 -35.49 . " A" 58 . N " A" 58 . CA " A" 58 . C " A" 59 . N parsed_5msl 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.95 -58.11 . " A" 57 . C " A" 58 . N " A" 58 . CA " A" 58 . C parsed_5msl 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.97 -35.97 . " A" 59 . N " A" 59 . CA " A" 59 . C " A" 60 . N parsed_5msl 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.40 -53.00 . " A" 58 . C " A" 59 . N " A" 59 . CA " A" 59 . C parsed_5msl 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.18 -30.76 . " A" 60 . N " A" 60 . CA " A" 60 . C " A" 61 . N parsed_5msl 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.80 -55.34 . " A" 59 . C " A" 60 . N " A" 60 . CA " A" 60 . C parsed_5msl 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.29 -34.13 . " A" 61 . N " A" 61 . CA " A" 61 . C " A" 62 . N parsed_5msl 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.16 -53.86 . " A" 60 . C " A" 61 . N " A" 61 . CA " A" 61 . C parsed_5msl 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.22 -21.10 . " A" 62 . N " A" 62 . CA " A" 62 . C " A" 63 . N parsed_5msl 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.54 -45.48 . " A" 61 . C " A" 62 . N " A" 62 . CA " A" 62 . C parsed_5msl 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.93 -15.65 . " A" 63 . N " A" 63 . CA " A" 63 . C " A" 64 . N parsed_5msl 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.61 -51.29 . " A" 62 . C " A" 63 . N " A" 63 . CA " A" 63 . C parsed_5msl 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 2: TALOS.tbl" 1 1 1 30 parsed_5msl 1
stop_
save_
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