NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
53069 |
2oqs   |
cing | 2-parsed | STAR | dihedral angle | 163 |
data_2oqs_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2oqs
_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_2oqs 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2oqs
_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 2oqs "Master copy" parsed_2oqs
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2oqs
_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 2oqs.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2oqs 1
1 2oqs.mr . . XPLOR/CNS 2 distance NOE simple 1121 parsed_2oqs 1
1 2oqs.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 64 parsed_2oqs 1
1 2oqs.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 163 parsed_2oqs 1
1 2oqs.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2oqs 1
1 2oqs.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2oqs 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2oqs
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 4
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . A 14 . n A 14 . ca A 14 . cb A 14 . cg parsed_2oqs 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . A 15 . n A 15 . ca A 15 . cb A 15 . og parsed_2oqs 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . A 22 . n A 22 . ca A 22 . cb A 22 . cg parsed_2oqs 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -150.0 . A 24 . n A 24 . ca A 24 . cb A 24 . cg parsed_2oqs 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -120.0 . A 28 . n A 28 . ca A 28 . cb A 28 . cg parsed_2oqs 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . A 43 . n A 43 . ca A 43 . cb A 43 . cg parsed_2oqs 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -220.0 -140.0 . A 45 . n A 45 . ca A 45 . cb A 45 . cg parsed_2oqs 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 95.0 . A 52 . n A 52 . ca A 52 . cb A 52 . cg parsed_2oqs 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.0 -50.0 . A 58 . n A 58 . ca A 58 . cb A 58 . cg parsed_2oqs 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . A 60 . n A 60 . ca A 60 . cb A 60 . cg1 parsed_2oqs 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -150.0 . A 67 . n A 67 . ca A 67 . cb A 67 . cg parsed_2oqs 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -60.0 . A 80 . n A 80 . ca A 80 . cb A 80 . cg parsed_2oqs 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . A 82 . n A 82 . ca A 82 . cb A 82 . cg parsed_2oqs 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . A 83 . n A 83 . ca A 83 . cb A 83 . cg parsed_2oqs 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.00 -78.00 . A 1 . C A 2 . N A 2 . CA A 2 . C parsed_2oqs 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.00 -98.00 . A 2 . C A 3 . N A 3 . CA A 3 . C parsed_2oqs 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -128.00 -68.00 . A 3 . C A 4 . N A 4 . CA A 4 . C parsed_2oqs 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -90.00 . A 4 . C A 5 . N A 5 . CA A 5 . C parsed_2oqs 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -90.00 . A 5 . C A 6 . N A 6 . CA A 6 . C parsed_2oqs 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -90.00 . A 7 . C A 8 . N A 8 . CA A 8 . C parsed_2oqs 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.00 -27.00 . A 11 . C A 12 . N A 12 . CA A 12 . C parsed_2oqs 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -110.00 . A 13 . C A 14 . N A 14 . CA A 14 . C parsed_2oqs 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -90.00 . A 14 . C A 15 . N A 15 . CA A 15 . C parsed_2oqs 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.00 -105.00 . A 15 . C A 16 . N A 16 . CA A 16 . C parsed_2oqs 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -162.00 -102.00 . A 16 . C A 17 . N A 17 . CA A 17 . C parsed_2oqs 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.00 -130.00 . A 17 . C A 18 . N A 18 . CA A 18 . C parsed_2oqs 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . A 19 . C A 20 . N A 20 . CA A 20 . C parsed_2oqs 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.00 105.00 . A 20 . C A 21 . N A 21 . CA A 21 . C parsed_2oqs 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -90.00 . A 21 . C A 22 . N A 22 . CA A 22 . C parsed_2oqs 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . A 22 . C A 23 . N A 23 . CA A 23 . C parsed_2oqs 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -90.00 . A 23 . C A 24 . N A 24 . CA A 24 . C parsed_2oqs 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -110.00 . A 24 . C A 25 . N A 25 . CA A 25 . C parsed_2oqs 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.00 -70.00 . A 27 . C A 28 . N A 28 . CA A 28 . C parsed_2oqs 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.00 -35.00 . A 28 . C A 29 . N A 29 . CA A 29 . C parsed_2oqs 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.00 -50.00 . A 29 . C A 30 . N A 30 . CA A 30 . C parsed_2oqs 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.00 -75.00 . A 30 . C A 31 . N A 31 . CA A 31 . C parsed_2oqs 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -90.00 . A 31 . C A 32 . N A 32 . CA A 32 . C parsed_2oqs 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.00 -45.00 . A 32 . C A 33 . N A 33 . CA A 33 . C parsed_2oqs 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.00 -65.00 . A 33 . C A 34 . N A 34 . CA A 34 . C parsed_2oqs 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.00 -102.00 . A 34 . C A 35 . N A 35 . CA A 35 . C parsed_2oqs 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 -60.00 . A 35 . C A 36 . N A 36 . CA A 36 . C parsed_2oqs 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -114.00 -54.00 . A 36 . C A 37 . N A 37 . CA A 37 . C parsed_2oqs 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.00 90.00 . A 38 . C A 39 . N A 39 . CA A 39 . C parsed_2oqs 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.00 -35.00 . A 39 . C A 40 . N A 40 . CA A 40 . C parsed_2oqs 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.00 -45.00 . A 40 . C A 41 . N A 41 . CA A 41 . C parsed_2oqs 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.00 -35.00 . A 41 . C A 42 . N A 42 . CA A 42 . C parsed_2oqs 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . A 42 . C A 43 . N A 43 . CA A 43 . C parsed_2oqs 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . A 43 . C A 44 . N A 44 . CA A 44 . C parsed_2oqs 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.00 -35.00 . A 44 . C A 45 . N A 45 . CA A 45 . C parsed_2oqs 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -20.00 . A 46 . C A 47 . N A 47 . CA A 47 . C parsed_2oqs 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -10.00 . A 47 . C A 48 . N A 48 . CA A 48 . C parsed_2oqs 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -144.00 -84.00 . A 48 . C A 49 . N A 49 . CA A 49 . C parsed_2oqs 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.00 120.00 . A 50 . C A 51 . N A 51 . CA A 51 . C parsed_2oqs 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.00 -75.00 . A 52 . C A 53 . N A 53 . CA A 53 . C parsed_2oqs 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -90.00 . A 53 . C A 54 . N A 54 . CA A 54 . C parsed_2oqs 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -176.00 -116.00 . A 55 . C A 56 . N A 56 . CA A 56 . C parsed_2oqs 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156.00 -96.00 . A 56 . C A 57 . N A 57 . CA A 57 . C parsed_2oqs 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.00 90.00 . A 57 . C A 58 . N A 58 . CA A 58 . C parsed_2oqs 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.00 90.00 . A 58 . C A 59 . N A 59 . CA A 59 . C parsed_2oqs 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 -60.00 . A 59 . C A 60 . N A 60 . CA A 60 . C parsed_2oqs 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 -60.00 . A 60 . C A 61 . N A 61 . CA A 61 . C parsed_2oqs 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -40.00 . A 61 . C A 62 . N A 62 . CA A 62 . C parsed_2oqs 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.00 -78.00 . A 62 . C A 63 . N A 63 . CA A 63 . C parsed_2oqs 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.00 -93.00 . A 64 . C A 65 . N A 65 . CA A 65 . C parsed_2oqs 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.00 -50.00 . A 65 . C A 66 . N A 66 . CA A 66 . C parsed_2oqs 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.00 -32.00 . A 66 . C A 67 . N A 67 . CA A 67 . C parsed_2oqs 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . A 67 . C A 68 . N A 68 . CA A 68 . C parsed_2oqs 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.00 -35.00 . A 68 . C A 69 . N A 69 . CA A 69 . C parsed_2oqs 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.00 -46.00 . A 69 . C A 70 . N A 70 . CA A 70 . C parsed_2oqs 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -20.00 . A 70 . C A 71 . N A 71 . CA A 71 . C parsed_2oqs 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.00 -44.00 . A 71 . C A 72 . N A 72 . CA A 72 . C parsed_2oqs 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . A 72 . C A 73 . N A 73 . CA A 73 . C parsed_2oqs 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . A 73 . C A 74 . N A 74 . CA A 74 . C parsed_2oqs 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . A 74 . C A 75 . N A 75 . CA A 75 . C parsed_2oqs 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.00 -55.00 . A 77 . C A 78 . N A 78 . CA A 78 . C parsed_2oqs 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.00 -50.00 . A 78 . C A 79 . N A 79 . CA A 79 . C parsed_2oqs 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.00 -70.00 . A 79 . C A 80 . N A 80 . CA A 80 . C parsed_2oqs 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.00 -91.00 . A 80 . C A 81 . N A 81 . CA A 81 . C parsed_2oqs 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.00 -95.00 . A 81 . C A 82 . N A 82 . CA A 82 . C parsed_2oqs 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.00 -81.00 . A 82 . C A 83 . N A 83 . CA A 83 . C parsed_2oqs 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.00 -85.00 . A 83 . C A 84 . N A 84 . CA A 84 . C parsed_2oqs 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.00 -104.00 . A 84 . C A 85 . N A 85 . CA A 85 . C parsed_2oqs 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.00 -85.00 . A 85 . C A 86 . N A 86 . CA A 86 . C parsed_2oqs 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.00 -70.00 . A 86 . C A 87 . N A 87 . CA A 87 . C parsed_2oqs 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.00 -31.00 . A 87 . C A 88 . N A 88 . CA A 88 . C parsed_2oqs 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -40.00 . A 90 . C A 91 . N A 91 . CA A 91 . C parsed_2oqs 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101.00 -41.00 . A 91 . C A 92 . N A 92 . CA A 92 . C parsed_2oqs 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 -60.00 . B 302 . C B 303 . N B 303 . CA B 303 . C parsed_2oqs 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 -60.00 . B 303 . C B 304 . N B 304 . CA B 304 . C parsed_2oqs 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 -60.00 . B 304 . C B 305 . N B 305 . CA B 305 . C parsed_2oqs 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 -60.00 . B 305 . C B 306 . N B 306 . CA B 306 . C parsed_2oqs 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99.00 159.00 . A 2 . N A 2 . CA A 2 . C A 3 . N parsed_2oqs 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96.00 156.00 . A 3 . N A 3 . CA A 3 . C A 4 . N parsed_2oqs 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 93.00 173.00 . A 4 . N A 4 . CA A 4 . C A 5 . N parsed_2oqs 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.00 170.00 . A 5 . N A 5 . CA A 5 . C A 6 . N parsed_2oqs 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 160.00 . A 6 . N A 6 . CA A 6 . C A 7 . N parsed_2oqs 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 150.00 . A 7 . N A 7 . CA A 7 . C A 8 . N parsed_2oqs 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.00 -150.00 . A 8 . N A 8 . CA A 8 . C A 9 . N parsed_2oqs 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 -60.00 . A 10 . N A 10 . CA A 10 . C A 11 . N parsed_2oqs 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.00 -2.00 . A 12 . N A 12 . CA A 12 . C A 13 . N parsed_2oqs 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135.00 185.00 . A 14 . N A 14 . CA A 14 . C A 15 . N parsed_2oqs 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.00 177.00 . A 15 . N A 15 . CA A 15 . C A 16 . N parsed_2oqs 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123.00 183.00 . A 16 . N A 16 . CA A 16 . C A 17 . N parsed_2oqs 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.00 185.00 . A 17 . N A 17 . CA A 17 . C A 18 . N parsed_2oqs 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 150.00 . A 18 . N A 18 . CA A 18 . C A 19 . N parsed_2oqs 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.00 155.00 . A 20 . N A 20 . CA A 20 . C A 21 . N parsed_2oqs 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44.00 16.00 . A 21 . N A 21 . CA A 21 . C A 22 . N parsed_2oqs 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.00 170.00 . A 23 . N A 23 . CA A 23 . C A 24 . N parsed_2oqs 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -20.00 . A 24 . N A 24 . CA A 24 . C A 25 . N parsed_2oqs 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.00 180.00 . A 25 . N A 25 . CA A 25 . C A 26 . N parsed_2oqs 1
111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.00 170.00 . A 26 . N A 26 . CA A 26 . C A 27 . N parsed_2oqs 1
112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 160.00 . A 28 . N A 28 . CA A 28 . C A 29 . N parsed_2oqs 1
113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.00 180.00 . A 30 . N A 30 . CA A 30 . C A 31 . N parsed_2oqs 1
114 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.00 170.00 . A 31 . N A 31 . CA A 31 . C A 32 . N parsed_2oqs 1
115 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.00 170.00 . A 32 . N A 32 . CA A 32 . C A 33 . N parsed_2oqs 1
116 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.00 163.00 . A 33 . N A 33 . CA A 33 . C A 34 . N parsed_2oqs 1
117 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.00 10.00 . A 34 . N A 34 . CA A 34 . C A 35 . N parsed_2oqs 1
118 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.00 174.00 . A 35 . N A 35 . CA A 35 . C A 36 . N parsed_2oqs 1
119 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 160.00 . A 36 . N A 36 . CA A 36 . C A 37 . N parsed_2oqs 1
120 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.00 162.00 . A 38 . N A 38 . CA A 38 . C A 39 . N parsed_2oqs 1
121 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 139.00 199.00 . A 40 . N A 40 . CA A 40 . C A 41 . N parsed_2oqs 1
122 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -20.00 . A 41 . N A 41 . CA A 41 . C A 42 . N parsed_2oqs 1
123 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -20.00 . A 42 . N A 42 . CA A 42 . C A 43 . N parsed_2oqs 1
124 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . A 43 . N A 43 . CA A 43 . C A 44 . N parsed_2oqs 1
125 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . A 44 . N A 44 . CA A 44 . C A 45 . N parsed_2oqs 1
126 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.00 40.00 . A 46 . N A 46 . CA A 46 . C A 47 . N parsed_2oqs 1
127 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.00 155.00 . A 48 . N A 48 . CA A 48 . C A 49 . N parsed_2oqs 1
128 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123.00 183.00 . A 49 . N A 49 . CA A 49 . C A 50 . N parsed_2oqs 1
129 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.00 152.00 . A 50 . N A 50 . CA A 50 . C A 51 . N parsed_2oqs 1
130 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.00 8.00 . A 51 . N A 51 . CA A 51 . C A 52 . N parsed_2oqs 1
131 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.00 170.00 . A 52 . N A 52 . CA A 52 . C A 53 . N parsed_2oqs 1
132 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.00 210.00 . A 53 . N A 53 . CA A 53 . C A 54 . N parsed_2oqs 1
133 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.00 163.00 . A 54 . N A 54 . CA A 54 . C A 55 . N parsed_2oqs 1
134 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.00 177.00 . A 56 . N A 56 . CA A 56 . C A 57 . N parsed_2oqs 1
135 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 160.00 . A 57 . N A 57 . CA A 57 . C A 58 . N parsed_2oqs 1
136 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5.00 85.00 . A 58 . N A 58 . CA A 58 . C A 59 . N parsed_2oqs 1
137 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -20.00 60.00 . A 59 . N A 59 . CA A 59 . C A 60 . N parsed_2oqs 1
138 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 97.00 157.00 . A 60 . N A 60 . CA A 60 . C A 61 . N parsed_2oqs 1
139 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.00 154.00 . A 61 . N A 61 . CA A 61 . C A 62 . N parsed_2oqs 1
140 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.00 190.00 . A 65 . N A 65 . CA A 65 . C A 66 . N parsed_2oqs 1
141 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -20.00 . A 67 . N A 67 . CA A 67 . C A 68 . N parsed_2oqs 1
142 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.00 -7.00 . A 68 . N A 68 . CA A 68 . C A 69 . N parsed_2oqs 1
143 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.00 -12.00 . A 69 . N A 69 . CA A 69 . C A 70 . N parsed_2oqs 1
144 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.00 -12.00 . A 70 . N A 70 . CA A 70 . C A 71 . N parsed_2oqs 1
145 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.00 -14.00 . A 71 . N A 71 . CA A 71 . C A 72 . N parsed_2oqs 1
146 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -10.00 . A 72 . N A 72 . CA A 72 . C A 73 . N parsed_2oqs 1
147 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.00 -5.00 . A 73 . N A 73 . CA A 73 . C A 74 . N parsed_2oqs 1
148 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -10.00 . A 74 . N A 74 . CA A 74 . C A 75 . N parsed_2oqs 1
149 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.00 -5.00 . A 75 . N A 75 . CA A 75 . C A 76 . N parsed_2oqs 1
150 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -10.00 . A 79 . N A 79 . CA A 79 . C A 80 . N parsed_2oqs 1
151 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.00 180.00 . A 81 . N A 81 . CA A 81 . C A 82 . N parsed_2oqs 1
152 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 160.00 . A 82 . N A 82 . CA A 82 . C A 83 . N parsed_2oqs 1
153 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.00 180.00 . A 83 . N A 83 . CA A 83 . C A 84 . N parsed_2oqs 1
154 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.00 166.00 . A 84 . N A 84 . CA A 84 . C A 85 . N parsed_2oqs 1
155 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 170.00 . A 85 . N A 85 . CA A 85 . C A 86 . N parsed_2oqs 1
156 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.00 155.00 . A 86 . N A 86 . CA A 86 . C A 87 . N parsed_2oqs 1
157 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 150.00 . A 87 . N A 87 . CA A 87 . C A 88 . N parsed_2oqs 1
158 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.00 178.00 . A 88 . N A 88 . CA A 88 . C A 89 . N parsed_2oqs 1
159 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.00 -8.00 . A 91 . N A 91 . CA A 91 . C A 92 . N parsed_2oqs 1
160 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.00 180.00 . B 302 . N B 302 . CA B 302 . C B 303 . N parsed_2oqs 1
161 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.00 180.00 . B 303 . N B 303 . CA B 303 . C B 304 . N parsed_2oqs 1
162 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.00 180.00 . B 304 . N B 304 . CA B 304 . C B 305 . N parsed_2oqs 1
163 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.00 180.00 . B 305 . N B 305 . CA B 305 . C B 306 . N parsed_2oqs 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
;
chi angles from analyzing the spectra
F14
;
2 1 3 6 parsed_2oqs 1
2 S15 5 1 5 7 parsed_2oqs 1
3 N22 7 1 7 9 parsed_2oqs 1
4 H24 9 1 9 6 parsed_2oqs 1
5 D28 11 1 11 6 parsed_2oqs 1
6 H43 13 1 13 9 parsed_2oqs 1
7 D45 15 1 15 9 parsed_2oqs 1
8 D52 17 1 17 8 parsed_2oqs 1
9 N58 19 1 19 8 parsed_2oqs 1
10 V60 21 1 21 12 parsed_2oqs 1
11 H67 23 1 23 7 parsed_2oqs 1
12 F80 25 1 25 9 parsed_2oqs 1
13 Y82 27 1 27 15 parsed_2oqs 1
14 L83 29 1 29 7 parsed_2oqs 1
15 "phi angle from TALOS analysis" 32 1 32 32 parsed_2oqs 1
16 "assign (resid 37 and name C and segid A) (resid 38 and name N and segid A) (resid 38 and name CA and segid A) (resid 38 and name C and segid A) 1.00 -50.00 30.00 2" 61 1 61 169 parsed_2oqs 1
17 "assign (resid 45 and name C and segid A) (resid 46 and name N and segid A) (resid 46 and name CA and segid A) (resid 46 and name C and segid A) 1.00 -75.00 30.00 2" 69 1 69 169 parsed_2oqs 1
18 "assign (resid 49 and name C and segid A) (resid 50 and name N and segid A) (resid 50 and name CA and segid A) (resid 50 and name C and segid A) 1.00 -40.00 30.00 2" 73 1 73 166 parsed_2oqs 1
19 "added based on the general knowledge for PDZ domains in complex with peptides" 109 1 109 80 parsed_2oqs 1
20 "psi angle restraints" 115 1 115 23 parsed_2oqs 1
21 "assign (resid 22 and name N and segid A) (resid 22 and name CA and segid A) (resid 22 and name C and segid A) (resid 23 and name N and segid A) 1.00 165.00 30.00 2" 132 1 132 168 parsed_2oqs 1
22 "assign (resid 29 and name N and segid A) (resid 29 and name CA and segid A) (resid 29 and name C and segid A) (resid 30 and name N and segid A) 1.00 -50.00 40.00 2" 138 1 138 166 parsed_2oqs 1
23 "assign (resid 37 and name N and segid A) (resid 37 and name CA and segid A) (resid 37 and name C and segid A) (resid 38 and name N and segid A) 1.00 125.00 30.00 2" 146 1 146 170 parsed_2oqs 1
24 "assign (resid 45 and name N and segid A) (resid 45 and name CA and segid A) (resid 45 and name C and segid A) (resid 46 and name N and segid A) 1.00 -60.00 30.00 2" 153 1 153 167 parsed_2oqs 1
25 "assign (resid 63 and name N and segid A) (resid 63 and name CA and segid A) (resid 63 and name C and segid A) (resid 64 and name N and segid A) 1.00 133.00 30.00 2" 168 1 168 165 parsed_2oqs 1
26 "assign (resid 66 and name N and segid A) (resid 66 and name CA and segid A) (resid 66 and name C and segid A) (resid 67 and name N and segid A) 1.00 165.00 30.00 2" 170 1 170 165 parsed_2oqs 1
27 "added based on the general knowledge for PDZ domains in complex with peptides" 190 1 190 80 parsed_2oqs 1
stop_
save_
Contact the webmaster for help, if required. Sunday, July 7, 2024 1:49:26 PM GMT (wattos1)