NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | program | type | item_count |
|
|
31617 |
1eot   |
4155 | cing | recoord | dress | 2-parsed | STAR | dihedral angle | 74 |
data_1eot_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1eot
_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_1eot 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1eot
_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 1eot "Master copy" parsed_1eot
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1eot
_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 1eot.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1eot 1
1 1eot.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1eot 1
1 1eot.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 26 parsed_1eot 1
1 1eot.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1eot 1
1 1eot.mr . . XPLOR/CNS 5 distance NOE simple 130 parsed_1eot 1
1 1eot.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1eot 1
1 1eot.mr . . XPLOR/CNS 7 distance NOE simple 40 parsed_1eot 1
1 1eot.mr . . n/a 8 comment "Not applicable" "Not applicable" 0 parsed_1eot 1
1 1eot.mr . . XPLOR/CNS 9 distance NOE simple 209 parsed_1eot 1
1 1eot.mr . . n/a 10 comment "Not applicable" "Not applicable" 0 parsed_1eot 1
1 1eot.mr . . XPLOR/CNS 11 distance NOE simple 74 parsed_1eot 1
1 1eot.mr . . n/a 12 comment "Not applicable" "Not applicable" 0 parsed_1eot 1
1 1eot.mr . . XPLOR/CNS 13 distance NOE simple 256 parsed_1eot 1
1 1eot.mr . . XPLOR/CNS 14 "dihedral angle" "Not applicable" "Not applicable" 74 parsed_1eot 1
1 1eot.mr . . "MR format" 15 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1eot 1
stop_
save_
save_CNS/XPLOR_dihedral_14
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1eot
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 14
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 8 . c . 9 . n . 9 . ca . 9 . c parsed_1eot 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110 -30 . . 15 . c . 16 . n . 16 . ca . 16 . c parsed_1eot 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100 -20 . . 16 . c . 17 . n . 17 . ca . 17 . c parsed_1eot 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150 -90 . . 17 . c . 18 . n . 18 . ca . 18 . c parsed_1eot 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 0 . . 19 . c . 20 . n . 20 . ca . 20 . c parsed_1eot 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85 -35 . . 20 . c . 21 . n . 21 . ca . 21 . c parsed_1eot 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110 -50 . . 21 . c . 22 . n . 22 . ca . 22 . c parsed_1eot 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85 -35 . . 22 . c . 23 . n . 23 . ca . 23 . c parsed_1eot 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150 -90 . . 23 . c . 24 . n . 24 . ca . 24 . c parsed_1eot 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180 -120 . . 24 . c . 25 . n . 25 . ca . 25 . c parsed_1eot 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -70 . . 25 . c . 26 . n . 26 . ca . 26 . c parsed_1eot 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 26 . c . 27 . n . 27 . ca . 27 . c parsed_1eot 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110 -50 . . 30 . c . 31 . n . 31 . ca . 31 . c parsed_1eot 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -70 . . 32 . c . 33 . n . 33 . ca . 33 . c parsed_1eot 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 35 . c . 36 . n . 36 . ca . 36 . c parsed_1eot 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180 -120 . . 37 . c . 38 . n . 38 . ca . 38 . c parsed_1eot 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180 -120 . . 38 . c . 39 . n . 39 . ca . 39 . c parsed_1eot 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 39 . c . 40 . n . 40 . ca . 40 . c parsed_1eot 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 40 . c . 41 . n . 41 . ca . 41 . c parsed_1eot 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150 -90 . . 41 . c . 42 . n . 42 . ca . 42 . c parsed_1eot 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150 -90 . . 42 . c . 43 . n . 43 . ca . 43 . c parsed_1eot 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 43 . c . 44 . n . 44 . ca . 44 . c parsed_1eot 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 44 . c . 45 . n . 45 . ca . 45 . c parsed_1eot 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . . 45 . c . 46 . n . 46 . ca . 46 . c parsed_1eot 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -110 . . 46 . c . 47 . n . 47 . ca . 47 . c parsed_1eot 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180 -60 . . 47 . c . 48 . n . 48 . ca . 48 . c parsed_1eot 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -100 . . 48 . c . 49 . n . 49 . ca . 49 . c parsed_1eot 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 -40 . . 49 . c . 50 . n . 50 . ca . 50 . c parsed_1eot 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -110 . . 50 . c . 51 . n . 51 . ca . 51 . c parsed_1eot 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -90 . . 51 . c . 52 . n . 52 . ca . 52 . c parsed_1eot 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110 -50 . . 53 . c . 54 . n . 54 . ca . 54 . c parsed_1eot 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100 -40 . . 54 . c . 55 . n . 55 . ca . 55 . c parsed_1eot 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 55 . c . 56 . n . 56 . ca . 56 . c parsed_1eot 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 56 . c . 57 . n . 57 . ca . 57 . c parsed_1eot 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 57 . c . 58 . n . 58 . ca . 58 . c parsed_1eot 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 58 . c . 59 . n . 59 . ca . 59 . c parsed_1eot 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 59 . c . 60 . n . 60 . ca . 60 . c parsed_1eot 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 60 . c . 61 . n . 61 . ca . 61 . c parsed_1eot 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 61 . c . 62 . n . 62 . ca . 62 . c parsed_1eot 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 62 . c . 63 . n . 63 . ca . 63 . c parsed_1eot 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 63 . c . 64 . n . 64 . ca . 64 . c parsed_1eot 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 64 . c . 65 . n . 65 . ca . 65 . c parsed_1eot 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 65 . c . 66 . n . 66 . ca . 66 . c parsed_1eot 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 66 . c . 67 . n . 67 . ca . 67 . c parsed_1eot 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 67 . c . 68 . n . 68 . ca . 68 . c parsed_1eot 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 68 . c . 69 . n . 69 . ca . 69 . c parsed_1eot 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100 -20 . . 9 . n . 9 . ca . 9 . cb . 9 . sg parsed_1eot 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100 -20 . . 13 . n . 13 . ca . 13 . cb . 13 . cg parsed_1eot 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140 220 . . 18 . n . 18 . ca . 18 . cb . 18 . cg2 parsed_1eot 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100 -20 . . 20 . n . 20 . ca . 20 . cb . 20 . cg parsed_1eot 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140 220 . . 21 . n . 21 . ca . 21 . cb . 21 . cg parsed_1eot 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140 220 . . 22 . n . 22 . ca . 22 . cb . 22 . cg parsed_1eot 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100 -20 . . 23 . n . 23 . ca . 23 . cb . 23 . cg parsed_1eot 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20 100 . . 26 . n . 26 . ca . 26 . cb . 26 . cg parsed_1eot 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140 220 . . 28 . n . 28 . ca . 28 . cb . 28 . cg parsed_1eot 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140 220 . . 31 . n . 31 . ca . 31 . cb . 31 . og parsed_1eot 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100 -20 . . 34 . n . 34 . ca . 34 . cb . 34 . sg parsed_1eot 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100 -20 . . 39 . n . 39 . ca . 39 . cb . 39 . cg2 parsed_1eot 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100 -20 . . 41 . n . 41 . ca . 41 . cb . 41 . cg parsed_1eot 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100 -20 . . 45 . n . 45 . ca . 45 . cb . 45 . cg parsed_1eot 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100 -20 . . 48 . n . 48 . ca . 48 . cb . 48 . cg parsed_1eot 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100 -20 . . 49 . n . 49 . ca . 49 . cb . 49 . cg1 parsed_1eot 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100 -20 . . 50 . n . 50 . ca . 50 . cb . 50 . sg parsed_1eot 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20 100 . . 57 . n . 57 . ca . 57 . cb . 57 . cg parsed_1eot 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100 -20 . . 58 . n . 58 . ca . 58 . cb . 58 . cg2 parsed_1eot 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140 220 . . 60 . n . 60 . ca . 60 . cb . 60 . cg parsed_1eot 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100 -20 . . 61 . n . 61 . ca . 61 . cb . 61 . og parsed_1eot 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100 -20 . . 65 . n . 65 . ca . 65 . cb . 65 . cg parsed_1eot 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100 -20 . . 66 . n . 66 . ca . 66 . cb . 66 . cg parsed_1eot 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120 240 . . 13 . ca . 13 . cb . 13 . cg . 13 . cd1 parsed_1eot 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120 240 . . 20 . ca . 20 . cb . 20 . cg . 20 . cd1 parsed_1eot 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120 240 . . 23 . ca . 23 . cb . 23 . cg . 23 . cd1 parsed_1eot 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120 240 . . 45 . ca . 45 . cb . 45 . cg . 45 . cd1 parsed_1eot 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120 240 . . 65 . ca . 65 . cb . 65 . cg . 65 . cd1 parsed_1eot 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 "phi restraints" 1 1 1 17 parsed_1eot 1
2 "Chi-1 values" 96 1 96 15 parsed_1eot 1
3 "Chi-2 values" 145 1 145 15 parsed_1eot 1
stop_
save_
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