NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
625306 |
5n7y   |
34102 | cing | 2-parsed | STAR | dihedral angle | 64 |
data_5n7y_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5n7y
_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_5n7y 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5n7y
_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 5n7y "Master copy" parsed_5n7y
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5n7y
_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 5n7y.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5n7y 1
1 5n7y.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 64 parsed_5n7y 1
1 5n7y.mr . . XPLOR/CNS 3 distance NOE ambi 0 parsed_5n7y 1
1 5n7y.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5n7y 1
stop_
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_5n7y
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 2
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 98.00 154.00 . " A" 8 . N " A" 8 . CA " A" 8 . C " A" 9 . N parsed_5n7y 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -185.00 -57.00 . " A" 7 . C " A" 8 . N " A" 8 . CA " A" 8 . C parsed_5n7y 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96.47 174.17 . " A" 9 . N " A" 9 . CA " A" 9 . C " A" 10 . N parsed_5n7y 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -230.92 35.84 . " A" 8 . C " A" 9 . N " A" 9 . CA " A" 9 . C parsed_5n7y 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.35 141.47 . " A" 10 . N " A" 10 . CA " A" 10 . C " A" 11 . N parsed_5n7y 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -162.83 -40.95 . " A" 9 . C " A" 10 . N " A" 10 . CA " A" 10 . C parsed_5n7y 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.67 154.65 . " A" 11 . N " A" 11 . CA " A" 11 . C " A" 12 . N parsed_5n7y 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -161.19 -72.07 . " A" 10 . C " A" 11 . N " A" 11 . CA " A" 11 . C parsed_5n7y 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.41 -29.89 . " A" 11 . C " A" 12 . N " A" 12 . CA " A" 12 . C parsed_5n7y 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.64 1.14 . " A" 13 . N " A" 13 . CA " A" 13 . C " A" 14 . N parsed_5n7y 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.03 27.61 . " A" 14 . N " A" 14 . CA " A" 14 . C " A" 15 . N parsed_5n7y 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -131.12 -47.98 . " A" 13 . C " A" 14 . N " A" 14 . CA " A" 14 . C parsed_5n7y 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -9.51 63.47 . " A" 15 . N " A" 15 . CA " A" 15 . C " A" 16 . N parsed_5n7y 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 47.19 75.75 . " A" 14 . C " A" 15 . N " A" 15 . CA " A" 15 . C parsed_5n7y 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 98.92 188.50 . " A" 16 . N " A" 16 . CA " A" 16 . C " A" 17 . N parsed_5n7y 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -186.14 -62.16 . " A" 15 . C " A" 16 . N " A" 16 . CA " A" 16 . C parsed_5n7y 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99.47 167.59 . " A" 17 . N " A" 17 . CA " A" 17 . C " A" 18 . N parsed_5n7y 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151.21 -46.25 . " A" 16 . C " A" 17 . N " A" 17 . CA " A" 17 . C parsed_5n7y 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.11 197.49 . " A" 18 . N " A" 18 . CA " A" 18 . C " A" 19 . N parsed_5n7y 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.86 -83.82 . " A" 17 . C " A" 18 . N " A" 18 . CA " A" 18 . C parsed_5n7y 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.36 19.48 . " A" 19 . N " A" 19 . CA " A" 19 . C " A" 20 . N parsed_5n7y 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -134.91 -54.55 . " A" 18 . C " A" 19 . N " A" 19 . CA " A" 19 . C parsed_5n7y 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.00 171.06 . " A" 20 . N " A" 20 . CA " A" 20 . C " A" 21 . N parsed_5n7y 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -254.04 -28.72 . " A" 19 . C " A" 20 . N " A" 20 . CA " A" 20 . C parsed_5n7y 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 133.87 223.63 . " A" 21 . N " A" 21 . CA " A" 21 . C " A" 22 . N parsed_5n7y 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -223.40 -129.52 . " A" 20 . C " A" 21 . N " A" 21 . CA " A" 21 . C parsed_5n7y 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 145.88 175.88 . " A" 22 . N " A" 22 . CA " A" 22 . C " A" 23 . N parsed_5n7y 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.81 -119.81 . " A" 21 . C " A" 22 . N " A" 22 . CA " A" 22 . C parsed_5n7y 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.67 147.77 . " A" 23 . N " A" 23 . CA " A" 23 . C " A" 24 . N parsed_5n7y 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -161.81 -77.71 . " A" 22 . C " A" 23 . N " A" 23 . CA " A" 23 . C parsed_5n7y 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -41.33 11.71 . " A" 26 . N " A" 26 . CA " A" 26 . C " A" 27 . N parsed_5n7y 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -106.00 -66.00 . " A" 25 . C " A" 26 . N " A" 26 . CA " A" 26 . C parsed_5n7y 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 83.84 181.32 . " A" 27 . N " A" 27 . CA " A" 27 . C " A" 28 . N parsed_5n7y 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.43 -72.91 . " A" 26 . C " A" 27 . N " A" 27 . CA " A" 27 . C parsed_5n7y 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 94.24 148.30 . " A" 28 . N " A" 28 . CA " A" 28 . C " A" 29 . N parsed_5n7y 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.42 -69.46 . " A" 27 . C " A" 28 . N " A" 28 . CA " A" 28 . C parsed_5n7y 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.39 152.63 . " A" 29 . N " A" 29 . CA " A" 29 . C " A" 30 . N parsed_5n7y 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.99 -92.99 . " A" 28 . C " A" 29 . N " A" 29 . CA " A" 29 . C parsed_5n7y 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.00 209.58 . " A" 30 . N " A" 30 . CA " A" 30 . C " A" 31 . N parsed_5n7y 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -237.83 11.01 . " A" 29 . C " A" 30 . N " A" 30 . CA " A" 30 . C parsed_5n7y 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.59 -20.01 . " A" 31 . N " A" 31 . CA " A" 31 . C " A" 32 . N parsed_5n7y 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.66 -45.24 . " A" 30 . C " A" 31 . N " A" 31 . CA " A" 31 . C parsed_5n7y 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.75 -25.79 . " A" 32 . N " A" 32 . CA " A" 32 . C " A" 33 . N parsed_5n7y 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.82 -55.18 . " A" 31 . C " A" 32 . N " A" 32 . CA " A" 32 . C parsed_5n7y 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.98 -36.30 . " A" 33 . N " A" 33 . CA " A" 33 . C " A" 34 . N parsed_5n7y 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.61 -55.49 . " A" 32 . C " A" 33 . N " A" 33 . CA " A" 33 . C parsed_5n7y 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.04 -39.94 . " A" 34 . N " A" 34 . CA " A" 34 . C " A" 35 . N parsed_5n7y 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.56 -50.86 . " A" 33 . C " A" 34 . N " A" 34 . CA " A" 34 . C parsed_5n7y 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.17 -34.57 . " A" 35 . N " A" 35 . CA " A" 35 . C " A" 36 . N parsed_5n7y 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.35 -57.25 . " A" 34 . C " A" 35 . N " A" 35 . CA " A" 35 . C parsed_5n7y 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.14 -28.00 . " A" 36 . N " A" 36 . CA " A" 36 . C " A" 37 . N parsed_5n7y 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.94 -58.18 . " A" 35 . C " A" 36 . N " A" 36 . CA " A" 36 . C parsed_5n7y 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.36 -31.88 . " A" 37 . N " A" 37 . CA " A" 37 . C " A" 38 . N parsed_5n7y 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.51 -59.69 . " A" 36 . C " A" 37 . N " A" 37 . CA " A" 37 . C parsed_5n7y 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.84 -28.84 . " A" 38 . N " A" 38 . CA " A" 38 . C " A" 39 . N parsed_5n7y 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.24 -53.96 . " A" 37 . C " A" 38 . N " A" 38 . CA " A" 38 . C parsed_5n7y 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.47 5.47 . " A" 39 . N " A" 39 . CA " A" 39 . C " A" 40 . N parsed_5n7y 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.06 -42.04 . " A" 38 . C " A" 39 . N " A" 39 . CA " A" 39 . C parsed_5n7y 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.95 -18.69 . " A" 40 . N " A" 40 . CA " A" 40 . C " A" 41 . N parsed_5n7y 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.71 -52.49 . " A" 39 . C " A" 40 . N " A" 40 . CA " A" 40 . C parsed_5n7y 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.18 -13.48 . " A" 41 . N " A" 41 . CA " A" 41 . C " A" 42 . N parsed_5n7y 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.46 -45.76 . " A" 40 . C " A" 41 . N " A" 41 . CA " A" 41 . C parsed_5n7y 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.36 42.70 . " A" 42 . N " A" 42 . CA " A" 42 . C " A" 43 . N parsed_5n7y 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.02 -71.86 . " A" 41 . C " A" 42 . N " A" 42 . CA " A" 42 . C parsed_5n7y 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 1: NEW_TALOSCA.tbl" 1 1 1 36 parsed_5n7y 1
stop_
save_
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