NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
51345 |
2k6o   |
15876 | cing | 2-parsed | STAR | dihedral angle | 58 |
data_2k6o_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2k6o
_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_2k6o 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2k6o
_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 2k6o "Master copy" parsed_2k6o
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2k6o
_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 2k6o.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2k6o 1
1 2k6o.mr . . XPLOR/CNS 2 distance NOE simple 230 parsed_2k6o 1
1 2k6o.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 58 parsed_2k6o 1
1 2k6o.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 0 parsed_2k6o 1
1 2k6o.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2k6o 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2k6o
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.00 -57.00 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_2k6o 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44.00 -24.00 . . 2 . N . 2 . CA . 2 . C . 3 . N parsed_2k6o 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.00 -52.00 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_2k6o 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.00 -33.00 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_2k6o 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.00 -52.00 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_2k6o 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.00 -26.00 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_2k6o 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.00 -57.00 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_2k6o 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.00 -29.00 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_2k6o 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.00 -54.00 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_2k6o 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.00 -34.00 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_2k6o 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.00 -53.00 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_2k6o 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.00 -31.00 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_2k6o 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.00 -54.00 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_2k6o 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.00 -28.00 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_2k6o 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.00 -56.00 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_2k6o 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.00 -28.00 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_2k6o 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.00 -47.00 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_2k6o 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.00 -37.00 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_2k6o 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -50.00 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_2k6o 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.00 -29.00 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_2k6o 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.00 -57.00 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_2k6o 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.00 -29.00 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_2k6o 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.00 -56.00 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_2k6o 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.00 -21.00 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_2k6o 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.00 -46.00 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_2k6o 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.00 -34.00 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_2k6o 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.00 -46.00 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_2k6o 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.00 -29.00 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_2k6o 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.00 -54.00 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_2k6o 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.00 -31.00 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_2k6o 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -50.00 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_2k6o 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.00 -34.00 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_2k6o 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.00 -51.00 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_2k6o 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.00 -29.00 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_2k6o 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.00 -52.00 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_2k6o 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.00 -33.00 . . 19 . N . 19 . CA . 19 . C . 20 . N parsed_2k6o 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.00 -55.00 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_2k6o 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.00 -34.00 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_2k6o 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.00 -53.00 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_2k6o 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.00 -33.00 . . 21 . N . 21 . CA . 21 . C . 22 . N parsed_2k6o 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -50.00 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_2k6o 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.00 -31.00 . . 22 . N . 22 . CA . 22 . C . 23 . N parsed_2k6o 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.00 -53.00 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_2k6o 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.00 -35.00 . . 23 . N . 23 . CA . 23 . C . 24 . N parsed_2k6o 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.00 -56.00 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_2k6o 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.00 -33.00 . . 24 . N . 24 . CA . 24 . C . 25 . N parsed_2k6o 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -50.00 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_2k6o 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.00 -33.00 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_2k6o 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.00 -54.00 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_2k6o 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.00 -29.00 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_2k6o 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.00 -53.00 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_2k6o 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.00 -33.00 . . 27 . N . 27 . CA . 27 . C . 28 . N parsed_2k6o 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.00 -49.00 . . 27 . C . 28 . N . 28 . CA . 28 . C parsed_2k6o 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.00 -31.00 . . 28 . N . 28 . CA . 28 . C . 29 . N parsed_2k6o 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.00 -57.00 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_2k6o 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.00 -22.00 . . 29 . N . 29 . CA . 29 . C . 30 . N parsed_2k6o 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.00 -55.00 . . 29 . C . 30 . N . 30 . CA . 30 . C parsed_2k6o 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.00 6.00 . . 30 . N . 30 . CA . 30 . C . 31 . N parsed_2k6o 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 "! L2" 1 1 1 6 parsed_2k6o 1
2 "! G3 9/10" 6 1 6 12 parsed_2k6o 1
3 "! D4" 10 72 11 6 parsed_2k6o 1
4 "! F5" 15 72 16 6 parsed_2k6o 1
5 "! F6" 20 72 21 6 parsed_2k6o 1
6 "! R7" 25 72 26 6 parsed_2k6o 1
7 "! K8" 30 72 31 8 parsed_2k6o 1
8 "! S9" 35 72 36 6 parsed_2k6o 1
9 "! K10" 40 73 41 7 parsed_2k6o 1
10 "! E11" 45 74 46 8 parsed_2k6o 1
11 "! K12" 50 74 51 8 parsed_2k6o 1
12 "! 13" 55 74 56 6 parsed_2k6o 1
13 "! 14 9/10" 60 74 61 13 parsed_2k6o 1
14 "! 15" 65 74 66 9 parsed_2k6o 1
15 "! 16" 70 74 71 7 parsed_2k6o 1
16 "! 17" 75 74 76 6 parsed_2k6o 1
17 "! 18" 80 74 81 6 parsed_2k6o 1
18 "! 19" 85 74 86 6 parsed_2k6o 1
19 "! 20" 90 74 91 6 parsed_2k6o 1
20 "! 21" 95 74 96 6 parsed_2k6o 1
21 "! 22" 100 74 101 6 parsed_2k6o 1
22 "! 23" 105 74 106 6 parsed_2k6o 1
23 "! 24" 110 74 111 6 parsed_2k6o 1
24 "! 25" 115 74 116 6 parsed_2k6o 1
25 "! 26" 120 74 121 6 parsed_2k6o 1
26 "! 27" 125 74 126 6 parsed_2k6o 1
27 "! 28" 130 74 131 7 parsed_2k6o 1
28 "! 29" 135 74 136 6 parsed_2k6o 1
29 "! 30" 140 74 141 8 parsed_2k6o 1
30 END 145 74 146 5 parsed_2k6o 1
stop_
save_
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