NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
52918 |
2odd   |
cing | 2-parsed | STAR | dihedral angle | 49 |
data_2odd_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2odd
_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_2odd 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2odd
_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 2odd "Master copy" parsed_2odd
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2odd
_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 2odd.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2odd 1
1 2odd.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_2odd 1
1 2odd.mr . . XPLOR/CNS 3 distance NOE simple 1925 parsed_2odd 1
1 2odd.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_2odd 1
1 2odd.mr . . XPLOR/CNS 5 distance "general distance" simple 24 parsed_2odd 1
1 2odd.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_2odd 1
1 2odd.mr . . XPLOR/CNS 7 "dihedral angle" "Not applicable" "Not applicable" 49 parsed_2odd 1
1 2odd.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2odd 1
stop_
save_
save_CNS/XPLOR_dihedral_7
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2odd
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 7
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.13 163.07 . B 9 . n B 9 . ca B 9 . c B 10 . n parsed_2odd 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -129.64 -106.94 . B 9 . c B 10 . n B 10 . ca B 10 . c parsed_2odd 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123.33 156.01 . B 10 . n B 10 . ca B 10 . c B 11 . n parsed_2odd 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.55 -68.21 . B 10 . c B 11 . n B 11 . ca B 11 . c parsed_2odd 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.78000000000002 143.20000000000000 . B 11 . n B 11 . ca B 11 . c B 12 . n parsed_2odd 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.13 -109.95 . A 35 . c A 36 . n A 36 . ca A 36 . c parsed_2odd 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 137.44 167.92 . A 36 . n A 36 . ca A 36 . c A 37 . n parsed_2odd 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.20 -112.88 . A 36 . c A 37 . n A 37 . ca A 37 . c parsed_2odd 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.42 138.58 . A 37 . n A 37 . ca A 37 . c A 38 . n parsed_2odd 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.15 -100.47 . A 44 . c A 45 . n A 45 . ca A 45 . c parsed_2odd 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 142.35 167.75 . A 45 . n A 45 . ca A 45 . c A 46 . n parsed_2odd 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151.95 -116.31 . A 45 . c A 46 . n A 46 . ca A 46 . c parsed_2odd 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 143.06 161.38 . A 46 . n A 46 . ca A 46 . c A 47 . n parsed_2odd 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.29 -59.37 . A 50 . c A 51 . n A 51 . ca A 51 . c parsed_2odd 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.21 -38.47 . A 51 . n A 51 . ca A 51 . c A 52 . n parsed_2odd 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.96 -62.02 . A 51 . c A 52 . n A 52 . ca A 52 . c parsed_2odd 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.25 -31.75 . A 52 . n A 52 . ca A 52 . c A 53 . n parsed_2odd 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.15 -60.73 . A 52 . c A 53 . n A 53 . ca A 53 . c parsed_2odd 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.40 -37.44 . A 53 . n A 53 . ca A 53 . c A 54 . n parsed_2odd 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.15 -57.33 . A 53 . c A 54 . n A 54 . ca A 54 . c parsed_2odd 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.67 -23.31 . A 54 . n A 54 . ca A 54 . c A 55 . n parsed_2odd 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -112.89 -85.25 . A 54 . c A 55 . n A 55 . ca A 55 . c parsed_2odd 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -18.95 8.07 . A 55 . n A 55 . ca A 55 . c A 56 . n parsed_2odd 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.77 -53.19 . A 56 . c A 57 . n A 57 . ca A 57 . c parsed_2odd 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.70 -27.86 . A 57 . n A 57 . ca A 57 . c A 58 . n parsed_2odd 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.48 -56.14 . A 57 . c A 58 . n A 58 . ca A 58 . c parsed_2odd 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.32 -33.04 . A 58 . n A 58 . ca A 58 . c A 59 . n parsed_2odd 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.67 -57.47 . A 58 . c A 59 . n A 59 . ca A 59 . c parsed_2odd 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.19 -34.01 . A 59 . n A 59 . ca A 59 . c A 60 . n parsed_2odd 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.79 -55.25 . A 59 . c A 60 . n A 60 . ca A 60 . c parsed_2odd 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.47 -33.01 . A 60 . n A 60 . ca A 60 . c A 61 . n parsed_2odd 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.07 -51.79 . A 60 . c A 61 . n A 61 . ca A 61 . c parsed_2odd 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.95 -25.41 . A 61 . n A 61 . ca A 61 . c A 62 . n parsed_2odd 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . A 27 . n A 27 . ca A 27 . cb A 27 . sg parsed_2odd 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . A 28 . n A 28 . ca A 28 . cb A 28 . cg parsed_2odd 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . A 29 . n A 29 . ca A 29 . cb A 29 . cg parsed_2odd 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . A 30 . n A 30 . ca A 30 . cb A 30 . sg parsed_2odd 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . A 36 . n A 36 . ca A 36 . cb A 36 . cg parsed_2odd 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . A 38 . n A 38 . ca A 38 . cb A 38 . sg parsed_2odd 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . A 41 . n A 41 . ca A 41 . cb A 41 . sg parsed_2odd 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . A 46 . n A 46 . ca A 46 . cb A 46 . cg parsed_2odd 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . A 47 . n A 47 . ca A 47 . cb A 47 . sg parsed_2odd 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . A 51 . n A 51 . ca A 51 . cb A 51 . sg parsed_2odd 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . A 55 . n A 55 . ca A 55 . cb A 55 . cg parsed_2odd 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . A 56 . n A 56 . ca A 56 . cb A 56 . cg parsed_2odd 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . A 59 . n A 59 . ca A 59 . cb A 59 . cg parsed_2odd 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . A 60 . n A 60 . ca A 60 . cb A 60 . cg parsed_2odd 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . A 61 . n A 61 . ca A 61 . cb A 61 . cg parsed_2odd 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . A 63 . n A 63 . ca A 63 . cb A 63 . sg parsed_2odd 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 (segid A and resid 49 and name c) (segid A and resid 50 and name n)
(segid A and resid 50 and name ca) (segid A and resid 50 and name c) 1.0 -64.92 10.00 2 !released
assign (segid A and resid 50 and name n) (segid A and resid 50 and name ca)
(segid A and resid 50 and name c) (segid A and resid 51 and name n) 1.0 -43.14 10.00 2 !released
;
27 1 27 1 parsed_2odd 1
2
;
assign (segid A and resid 42 and name n) (segid A and resid 42 and name ca)
(segid A and resid 42 and name cb) (segid A and resid 42 and name cg) 1.0 -60 40.0 2
;
96 1 96 1 parsed_2odd 1
stop_
save_
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