NMR Restraints Grid
| |
NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
52778 |
2nwm   |
cing | 2-parsed | STAR | dihedral angle | 74 |
data_2nwm_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2nwm
_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_2nwm 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2nwm
_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 2nwm "Master copy" parsed_2nwm
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2nwm
_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 2nwm.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2nwm 1
1 2nwm.mr . . XPLOR/CNS 2 distance NOE simple 629 parsed_2nwm 1
1 2nwm.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 74 parsed_2nwm 1
1 2nwm.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 0 parsed_2nwm 1
1 2nwm.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2nwm 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2nwm
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.17 -100.63 . . 1 . c . 2 . n . 2 . ca . 2 . c parsed_2nwm 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.94 152.34 . . 2 . n . 2 . ca . 2 . c . 3 . n parsed_2nwm 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156.44 -114.74 . . 2 . c . 3 . n . 3 . ca . 3 . c parsed_2nwm 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 124.57 168.47 . . 3 . n . 3 . ca . 3 . c . 4 . n parsed_2nwm 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -118.59 -101.27 . . 3 . c . 4 . n . 4 . ca . 4 . c parsed_2nwm 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.72 133.34 . . 4 . n . 4 . ca . 4 . c . 5 . n parsed_2nwm 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.20 -96.84 . . 8 . c . 9 . n . 9 . ca . 9 . c parsed_2nwm 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.94 144.66 . . 9 . n . 9 . ca . 9 . c . 10 . n parsed_2nwm 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.99 -84.79 . . 9 . c . 10 . n . 10 . ca . 10 . c parsed_2nwm 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.55 142.83 . . 10 . n . 10 . ca . 10 . c . 11 . n parsed_2nwm 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.20 -75.26 . . 12 . c . 13 . n . 13 . ca . 13 . c parsed_2nwm 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 97.37 160.33 . . 13 . n . 13 . ca . 13 . c . 14 . n parsed_2nwm 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.90 -55.52 . . 13 . c . 14 . n . 14 . ca . 14 . c parsed_2nwm 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.12 -11.00 . . 14 . n . 14 . ca . 14 . c . 15 . n parsed_2nwm 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -106.61 -72.35 . . 14 . c . 15 . n . 15 . ca . 15 . c parsed_2nwm 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.81 3.45 . . 15 . n . 15 . ca . 15 . c . 16 . n parsed_2nwm 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -131.41 -93.53 . . 16 . c . 17 . n . 17 . ca . 17 . c parsed_2nwm 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.07 135.99 . . 17 . n . 17 . ca . 17 . c . 18 . n parsed_2nwm 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -113.83 -85.85 . . 17 . c . 18 . n . 18 . ca . 18 . c parsed_2nwm 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.73 135.73 . . 18 . n . 18 . ca . 18 . c . 19 . n parsed_2nwm 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.41 -117.15 . . 18 . c . 19 . n . 19 . ca . 19 . c parsed_2nwm 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 136.74 159.72 . . 19 . n . 19 . ca . 19 . c . 20 . n parsed_2nwm 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -129.30 -76.98 . . 19 . c . 20 . n . 20 . ca . 20 . c parsed_2nwm 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 136.19 164.91 . . 20 . n . 20 . ca . 20 . c . 21 . n parsed_2nwm 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 88.23 98.97 . . 21 . c . 22 . n . 22 . ca . 22 . c parsed_2nwm 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -22.13 -5.73 . . 22 . n . 22 . ca . 22 . c . 23 . n parsed_2nwm 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.98 -48.22 . . 22 . c . 23 . n . 23 . ca . 23 . c parsed_2nwm 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 131.15 149.55 . . 23 . n . 23 . ca . 23 . c . 24 . n parsed_2nwm 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -114.83 -98.67 . . 23 . c . 24 . n . 24 . ca . 24 . c parsed_2nwm 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.06 143.06 . . 24 . n . 24 . ca . 24 . c . 25 . n parsed_2nwm 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.29 -124.43 . . 24 . c . 25 . n . 25 . ca . 25 . c parsed_2nwm 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 141.59 167.93 . . 25 . n . 25 . ca . 25 . c . 26 . n parsed_2nwm 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.51 -61.57 . . 26 . c . 27 . n . 27 . ca . 27 . c parsed_2nwm 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 124.77 139.61 . . 27 . n . 27 . ca . 27 . c . 28 . n parsed_2nwm 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.29 -107.39 . . 28 . c . 29 . n . 29 . ca . 29 . c parsed_2nwm 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 142.21 166.17 . . 29 . n . 29 . ca . 29 . c . 30 . n parsed_2nwm 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -114.88 -70.36 . . 29 . c . 30 . n . 30 . ca . 30 . c parsed_2nwm 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.33 157.39 . . 30 . n . 30 . ca . 30 . c . 31 . n parsed_2nwm 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.78 -63.22 . . 31 . c . 32 . n . 32 . ca . 32 . c parsed_2nwm 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -36.28 10.56 . . 32 . n . 32 . ca . 32 . c . 33 . n parsed_2nwm 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.46 -47.46 . . 32 . c . 33 . n . 33 . ca . 33 . c parsed_2nwm 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.20 -20.20 . . 33 . n . 33 . ca . 33 . c . 34 . n parsed_2nwm 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.81 -68.09 . . 34 . c . 35 . n . 35 . ca . 35 . c parsed_2nwm 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.99 174.47 . . 35 . n . 35 . ca . 35 . c . 36 . n parsed_2nwm 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.22 -100.52 . . 36 . c . 37 . n . 37 . ca . 37 . c parsed_2nwm 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.00 148.30 . . 37 . n . 37 . ca . 37 . c . 38 . n parsed_2nwm 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.39 -119.39 . . 38 . c . 39 . n . 39 . ca . 39 . c parsed_2nwm 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 144.55 164.87 . . 39 . n . 39 . ca . 39 . c . 40 . n parsed_2nwm 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.42 -129.34 . . 39 . c . 40 . n . 40 . ca . 40 . c parsed_2nwm 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.43 134.01 . . 40 . n . 40 . ca . 40 . c . 41 . n parsed_2nwm 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 47.42 55.86 . . 40 . c . 41 . n . 41 . ca . 41 . c parsed_2nwm 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 38.03 50.89 . . 41 . n . 41 . ca . 41 . c . 42 . n parsed_2nwm 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 69.57 85.91 . . 41 . c . 42 . n . 42 . ca . 42 . c parsed_2nwm 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.94 15.08 . . 42 . n . 42 . ca . 42 . c . 43 . n parsed_2nwm 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -121.39 -81.05 . . 42 . c . 43 . n . 43 . ca . 43 . c parsed_2nwm 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 124.02 155.46 . . 43 . n . 43 . ca . 43 . c . 44 . n parsed_2nwm 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -132.27 -97.83 . . 43 . c . 44 . n . 44 . ca . 44 . c parsed_2nwm 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 128.39 152.81 . . 44 . n . 44 . ca . 44 . c . 45 . n parsed_2nwm 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -144.28 -103.24 . . 45 . c . 46 . n . 46 . ca . 46 . c parsed_2nwm 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 148.28 164.82 . . 46 . n . 46 . ca . 46 . c . 47 . n parsed_2nwm 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.31 -90.21 . . 46 . c . 47 . n . 47 . ca . 47 . c parsed_2nwm 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 145.73 159.51 . . 47 . n . 47 . ca . 47 . c . 48 . n parsed_2nwm 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.71 -53.39 . . 47 . c . 48 . n . 48 . ca . 48 . c parsed_2nwm 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 133.78 159.34 . . 48 . n . 48 . ca . 48 . c . 49 . n parsed_2nwm 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.97 -53.47 . . 48 . c . 49 . n . 49 . ca . 49 . c parsed_2nwm 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.01 -11.57 . . 49 . n . 49 . ca . 49 . c . 50 . n parsed_2nwm 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101.50 -58.74 . . 49 . c . 50 . n . 50 . ca . 50 . c parsed_2nwm 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -31.27 14.21 . . 50 . n . 50 . ca . 50 . c . 51 . n parsed_2nwm 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.13 -119.19 . . 51 . c . 52 . n . 52 . ca . 52 . c parsed_2nwm 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 145.65 166.79 . . 52 . n . 52 . ca . 52 . c . 53 . n parsed_2nwm 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.72 -102.68 . . 52 . c . 53 . n . 53 . ca . 53 . c parsed_2nwm 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.91 156.69 . . 53 . n . 53 . ca . 53 . c . 54 . n parsed_2nwm 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.80 -68.30 . . 53 . c . 54 . n . 54 . ca . 54 . c parsed_2nwm 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.65 133.97 . . 54 . n . 54 . ca . 54 . c . 55 . n parsed_2nwm 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 dihed_rama 2 1 3 2 parsed_2nwm 1
stop_
save_
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