NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
655378 |
7k6b   |
30798 | cing | 2-parsed | STAR | dihedral angle | 75 |
data_7k6b_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_7k6b
_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_7k6b 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_7k6b
_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 7k6b "Master copy" parsed_7k6b
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_7k6b
_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 7k6b.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_7k6b 1
1 7k6b.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 75 parsed_7k6b 1
1 7k6b.mr . . XPLOR/CNS 3 distance NOE simple 0 parsed_7k6b 1
1 7k6b.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_7k6b 1
stop_
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_7k6b
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159.6 -108.0 . . -1 . C . 0 . N . 0 . CA . 0 . C parsed_7k6b 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 119.0 157.0 . . 0 . N . 0 . CA . 0 . C . 1 . N parsed_7k6b 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -162.3 -85.3 . . 0 . C . 1 . N . 1 . CA . 1 . C parsed_7k6b 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.6 147.6 . . 1 . N . 1 . CA . 1 . C . 2 . N parsed_7k6b 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.4 -82.6 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_7k6b 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.4 155.4 . . 2 . N . 2 . CA . 2 . C . 3 . N parsed_7k6b 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.4 -111.0 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_7k6b 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.8 156.6 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_7k6b 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.7 -71.7 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_7k6b 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.1 140.7 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_7k6b 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -117.9 -65.7 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_7k6b 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 57.4 171.6 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_7k6b 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -106.4 -58.8 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_7k6b 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.7 -11.1 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_7k6b 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.3 -90.3 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_7k6b 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.0 165.4 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_7k6b 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -171.5 -71.9 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_7k6b 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.6 153.6 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_7k6b 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -178.6 -87.0 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_7k6b 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.3 148.1 . . 27 . N . 27 . CA . 27 . C . 28 . N parsed_7k6b 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -137.0 -75.6 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_7k6b 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 94.5 154.5 . . 31 . N . 31 . CA . 31 . C . 32 . N parsed_7k6b 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.9 -76.1 . . 31 . C . 32 . N . 32 . CA . 32 . C parsed_7k6b 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.5 198.1 . . 32 . N . 32 . CA . 32 . C . 33 . N parsed_7k6b 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.6 -111.2 . . 32 . C . 33 . N . 33 . CA . 33 . C parsed_7k6b 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 131.0 169.4 . . 33 . N . 33 . CA . 33 . C . 34 . N parsed_7k6b 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -185.4 -61.4 . . 33 . C . 34 . N . 34 . CA . 34 . C parsed_7k6b 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 136.1 183.5 . . 34 . N . 34 . CA . 34 . C . 35 . N parsed_7k6b 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -173.4 -87.0 . . 49 . C . 50 . N . 50 . CA . 50 . C parsed_7k6b 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 126.9 174.5 . . 50 . N . 50 . CA . 50 . C . 51 . N parsed_7k6b 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -189.6 -90.0 . . 50 . C . 51 . N . 51 . CA . 51 . C parsed_7k6b 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 128.7 158.3 . . 51 . N . 51 . CA . 51 . C . 52 . N parsed_7k6b 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.1 -47.5 . . 51 . C . 52 . N . 52 . CA . 52 . C parsed_7k6b 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 174.2 . . 52 . N . 52 . CA . 52 . C . 53 . N parsed_7k6b 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156.9 -91.3 . . 62 . C . 63 . N . 63 . CA . 63 . C parsed_7k6b 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123.9 176.5 . . 63 . N . 63 . CA . 63 . C . 64 . N parsed_7k6b 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151.8 -96.0 . . 63 . C . 64 . N . 64 . CA . 64 . C parsed_7k6b 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.5 148.9 . . 64 . N . 64 . CA . 64 . C . 65 . N parsed_7k6b 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -162.0 -74.0 . . 64 . C . 65 . N . 65 . CA . 65 . C parsed_7k6b 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.0 153.6 . . 65 . N . 65 . CA . 65 . C . 66 . N parsed_7k6b 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.0 -103.8 . . 65 . C . 66 . N . 66 . CA . 66 . C parsed_7k6b 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.1 152.9 . . 66 . N . 66 . CA . 66 . C . 67 . N parsed_7k6b 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -161.9 -86.7 . . 66 . C . 67 . N . 67 . CA . 67 . C parsed_7k6b 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -45.0 . . 85 . C . 86 . N . 86 . CA . 86 . C parsed_7k6b 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.8 -14.0 . . 89 . N . 89 . CA . 89 . C . 90 . N parsed_7k6b 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -112.0 -43.4 . . 89 . C . 90 . N . 90 . CA . 90 . C parsed_7k6b 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.2 -27.2 . . 90 . N . 90 . CA . 90 . C . 91 . N parsed_7k6b 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.3 -42.7 . . 90 . C . 91 . N . 91 . CA . 91 . C parsed_7k6b 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.4 -13.6 . . 91 . N . 91 . CA . 91 . C . 92 . N parsed_7k6b 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101.5 -72.1 . . 91 . C . 92 . N . 92 . CA . 92 . C parsed_7k6b 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.1 19.9 . . 92 . N . 92 . CA . 92 . C . 93 . N parsed_7k6b 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.8 -106.8 . . 97 . C . 98 . N . 98 . CA . 98 . C parsed_7k6b 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.0 188.2 . . 98 . N . 98 . CA . 98 . C . 99 . N parsed_7k6b 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -162.6 -76.2 . . 98 . C . 99 . N . 99 . CA . 99 . C parsed_7k6b 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.9 163.9 . . 99 . N . 99 . CA . 99 . C . 100 . N parsed_7k6b 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -142.7 -56.7 . . 100 . C . 101 . N . 101 . CA . 101 . C parsed_7k6b 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 74.0 166.2 . . 101 . N . 101 . CA . 101 . C . 102 . N parsed_7k6b 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -129.9 -43.3 . . 101 . C . 102 . N . 102 . CA . 102 . C parsed_7k6b 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 80.8 178.6 . . 102 . N . 102 . CA . 102 . C . 103 . N parsed_7k6b 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.0 -108.0 . . 115 . C . 116 . N . 116 . CA . 116 . C parsed_7k6b 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.0 155.0 . . 116 . N . 116 . CA . 116 . C . 117 . N parsed_7k6b 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156.0 -60.0 . . 116 . C . 117 . N . 117 . CA . 117 . C parsed_7k6b 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.0 150.0 . . 117 . N . 117 . CA . 117 . C . 118 . N parsed_7k6b 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159.0 -99.0 . . 117 . C . 118 . N . 118 . CA . 118 . C parsed_7k6b 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.0 178.0 . . 118 . N . 118 . CA . 118 . C . 119 . N parsed_7k6b 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.9 -109.7 . . 118 . C . 119 . N . 119 . CA . 119 . C parsed_7k6b 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.4 157.0 . . 119 . N . 119 . CA . 119 . C . 120 . N parsed_7k6b 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.2 -109.0 . . 119 . C . 120 . N . 120 . CA . 120 . C parsed_7k6b 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.9 157.5 . . 120 . N . 120 . CA . 120 . C . 121 . N parsed_7k6b 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.0 -97.0 . . 120 . C . 121 . N . 121 . CA . 121 . C parsed_7k6b 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.0 151.0 . . 121 . N . 121 . CA . 121 . C . 122 . N parsed_7k6b 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.4 -97.0 . . 121 . C . 122 . N . 122 . CA . 122 . C parsed_7k6b 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.7 141.9 . . 122 . N . 122 . CA . 122 . C . 123 . N parsed_7k6b 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.9 -65.5 . . 122 . C . 123 . N . 123 . CA . 123 . C parsed_7k6b 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.4 156.4 . . 123 . N . 123 . CA . 123 . C . 124 . N parsed_7k6b 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
;
assign (resid 67 and name N ) (resid 67 and name CA )
(resid 67 and name C ) (resid 68 and name N ) 1.0 131.9 27.0 2
assign (resid 67 and name C ) (resid 68 and name N )
(resid 68 and name CA ) (resid 68 and name C ) 1.0 -104.8 36.5 2
assign (resid 68 and name N ) (resid 68 and name CA )
(resid 68 and name C ) (resid 69 and name N ) 1.0 141.0 24.7 2
assign (resid 84 and name C ) (resid 85 and name N )
(resid 85 and name CA ) (resid 85 and name C ) 1.0 -101.5 50.7 2
assign (resid 85 and name N ) (resid 85 and name CA )
(resid 85 and name C ) (resid 86 and name N ) 1.0 128.9 30.2 2
;
88 1 97 71 parsed_7k6b 1
2
;
assign (resid 86 and name N ) (resid 86 and name CA )
(resid 86 and name C ) (resid 87 and name N ) 1.0 146.0 16.0 2
assign (resid 87 and name C ) (resid 88 and name N )
(resid 88 and name CA ) (resid 88 and name C ) 1.0 -62.1 10.0 2
assign (resid 88 and name N ) (resid 88 and name CA )
(resid 88 and name C ) (resid 89 and name N ) 1.0 -39.5 16.3 2
assign (resid 88 and name C ) (resid 89 and name N )
(resid 89 and name CA ) (resid 89 and name C ) 1.0 -63.3 10.3 2
;
100 1 107 72 parsed_7k6b 1
3
;
assign (resid 123 and name C ) (resid 124 and name N )
(resid 124 and name CA ) (resid 124 and name C ) 1.0 -73.4 20.5 2
assign (resid 124 and name N ) (resid 124 and name CA )
(resid 124 and name C ) (resid 125 and name N ) 1.0 153.1 21.6 2# Restraints file 2: dysferlin.tbl
;
170 1 173 107 parsed_7k6b 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: dihe_justPHIPSI_selected.tbl" 1 1 1 49 parsed_7k6b 1
stop_
save_
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