NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
562364 |
2m7f   |
19211 | cing | 2-parsed | STAR | dihedral angle | 60 |
data_2m7f_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2m7f
_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_2m7f 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2m7f
_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 2m7f "Master copy" parsed_2m7f
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2m7f
_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 2m7f.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2m7f 1
1 2m7f.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 60 parsed_2m7f 1
1 2m7f.mr . . XPLOR/CNS 3 distance NOE simple 0 parsed_2m7f 1
1 2m7f.mr . . XPLOR/CNS 4 distance "general distance" simple 0 parsed_2m7f 1
1 2m7f.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 0 parsed_2m7f 1
1 2m7f.mr . . XPLOR/CNS 6 distance NOE simple 0 parsed_2m7f 1
1 2m7f.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2m7f 1
stop_
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2m7f
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.67 -48.67 . . 1 . c . 2 . n . 2 . ca . 2 . c parsed_2m7f 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.80 -75.80 . . 2 . c . 3 . n . 3 . ca . 3 . c parsed_2m7f 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.28 -79.28 . . 3 . c . 4 . n . 4 . ca . 4 . c parsed_2m7f 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.68 -64.68 . . 4 . c . 5 . n . 5 . ca . 5 . c parsed_2m7f 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.48 -80.48 . . 5 . c . 6 . n . 6 . ca . 6 . c parsed_2m7f 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.01 -50.01 . . 9 . c . 10 . n . 10 . ca . 10 . c parsed_2m7f 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.66 -70.66 . . 10 . c . 11 . n . 11 . ca . 11 . c parsed_2m7f 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.82 -50.82 . . 12 . c . 13 . n . 13 . ca . 13 . c parsed_2m7f 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -147.49 -67.49 . . 13 . c . 14 . n . 14 . ca . 14 . c parsed_2m7f 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.65 -50.65 . . 14 . c . 15 . n . 15 . ca . 15 . c parsed_2m7f 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.82 -50.82 . . 15 . c . 16 . n . 16 . ca . 16 . c parsed_2m7f 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.47 -50.47 . . 16 . c . 17 . n . 17 . ca . 17 . c parsed_2m7f 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.40 -60.40 . . 17 . c . 18 . n . 18 . ca . 18 . c parsed_2m7f 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.36 100.36 . . 18 . c . 19 . n . 19 . ca . 19 . c parsed_2m7f 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.68 -92.68 . . 19 . c . 20 . n . 20 . ca . 20 . c parsed_2m7f 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.96 -60.96 . . 20 . c . 21 . n . 21 . ca . 21 . c parsed_2m7f 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -132.77 -52.77 . . 23 . c . 24 . n . 24 . ca . 24 . c parsed_2m7f 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -167.51 -67.51 . . 24 . c . 25 . n . 25 . ca . 25 . c parsed_2m7f 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.60 -70.60 . . 25 . c . 26 . n . 26 . ca . 26 . c parsed_2m7f 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.68 -70.68 . . 26 . c . 27 . n . 27 . ca . 27 . c parsed_2m7f 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.65 -70.65 . . 27 . c . 28 . n . 28 . ca . 28 . c parsed_2m7f 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.57 -86.57 . . 28 . c . 29 . n . 29 . ca . 29 . c parsed_2m7f 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 80.79 160.79 . . 29 . c . 30 . n . 30 . ca . 30 . c parsed_2m7f 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.87 -50.87 . . 30 . c . 31 . n . 31 . ca . 31 . c parsed_2m7f 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.55 -80.55 . . 31 . c . 32 . n . 32 . ca . 32 . c parsed_2m7f 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.92 -69.92 . . 32 . c . 33 . n . 33 . ca . 33 . c parsed_2m7f 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.67 -90.67 . . 33 . c . 34 . n . 34 . ca . 34 . c parsed_2m7f 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.97 120.97 . . 34 . c . 35 . n . 35 . ca . 35 . c parsed_2m7f 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.71 120.71 . . 35 . c . 36 . n . 36 . ca . 36 . c parsed_2m7f 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.70 -90.70 . . 36 . c . 37 . n . 37 . ca . 37 . c parsed_2m7f 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.54 -78.54 . . 37 . c . 38 . n . 38 . ca . 38 . c parsed_2m7f 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.63 -60.63 . . 38 . c . 39 . n . 39 . ca . 39 . c parsed_2m7f 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.50 -40.50 . . 39 . c . 40 . n . 40 . ca . 40 . c parsed_2m7f 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.84 -70.84 . . 40 . c . 41 . n . 41 . ca . 41 . c parsed_2m7f 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.70 170.70 . . 41 . c . 42 . n . 42 . ca . 42 . c parsed_2m7f 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -131.52 -51.52 . . 42 . c . 43 . n . 43 . ca . 43 . c parsed_2m7f 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.65 -60.65 . . 43 . c . 44 . n . 44 . ca . 44 . c parsed_2m7f 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.91 -50.91 . . 44 . c . 45 . n . 45 . ca . 45 . c parsed_2m7f 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.16 -80.16 . . 45 . c . 46 . n . 46 . ca . 46 . c parsed_2m7f 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.28 -50.28 . . 46 . c . 47 . n . 47 . ca . 47 . c parsed_2m7f 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.90 -46.90 . . 47 . c . 48 . n . 48 . ca . 48 . c parsed_2m7f 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.67 -70.67 . . 48 . c . 49 . n . 49 . ca . 49 . c parsed_2m7f 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 44.06 144.06 . . 49 . c . 50 . n . 50 . ca . 50 . c parsed_2m7f 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -131.20 -31.20 . . 51 . c . 52 . n . 52 . ca . 52 . c parsed_2m7f 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -147.60 -47.60 . . 52 . c . 53 . n . 53 . ca . 53 . c parsed_2m7f 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.91 -39.91 . . 53 . c . 54 . n . 54 . ca . 54 . c parsed_2m7f 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.07 -66.07 . . 54 . c . 55 . n . 55 . ca . 55 . c parsed_2m7f 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.07 -50.07 . . 56 . c . 57 . n . 57 . ca . 57 . c parsed_2m7f 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.56 -60.56 . . 57 . c . 58 . n . 58 . ca . 58 . c parsed_2m7f 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50.81 130.81 . . 58 . c . 59 . n . 59 . ca . 59 . c parsed_2m7f 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.45 -70.45 . . 59 . c . 60 . n . 60 . ca . 60 . c parsed_2m7f 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.88 -70.88 . . 60 . c . 61 . n . 61 . ca . 61 . c parsed_2m7f 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -137.27 -37.27 . . 61 . c . 62 . n . 62 . ca . 62 . c parsed_2m7f 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.04 -80.04 . . 62 . c . 63 . n . 63 . ca . 63 . c parsed_2m7f 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.27 -50.27 . . 63 . c . 64 . n . 64 . ca . 64 . c parsed_2m7f 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.70 -65.70 . . 65 . c . 66 . n . 66 . ca . 66 . c parsed_2m7f 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -137.20 -57.20 . . 66 . c . 67 . n . 67 . ca . 67 . c parsed_2m7f 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136.80 -56.80 . . 67 . c . 68 . n . 68 . ca . 68 . c parsed_2m7f 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.20 -45.20 . . 68 . c . 69 . n . 69 . ca . 69 . c parsed_2m7f 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.20 -84.20 . . 69 . c . 70 . n . 70 . ca . 70 . c parsed_2m7f 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 K2 1 1 1 6 parsed_2m7f 1
2 E3 3 1 3 93 parsed_2m7f 1
3 c4 5 1 5 93 parsed_2m7f 1
4 D5 7 1 7 93 parsed_2m7f 1
5 c6 9 1 9 93 parsed_2m7f 1
6
;
S7
assign (resid 6 and name c) (resid 7 and name n) (resid 7 and name ca) (resid 7 and name c) 1 -128.37 50.00 2
S8
assign (resid 7 and name c) (resid 8 and name n) (resid 8 and name ca) (resid 8 and name c) 1 -103.91 50.00 2
P9
assign (resid 8 and name c) (resid 9 and name n) (resid 9 and name ca) (resid 9 and name c) 1 -110.29 50.00 2
E10
;
11 1 17 30 parsed_2m7f 1
7 n11 19 1 19 9 parsed_2m7f 1
8
;
P12
assign (resid 11 and name c) (resid 12 and name n) (resid 12 and name ca) (resid 12 and name c) 1 -90.58 50.00 2
c13
;
21 1 23 95 parsed_2m7f 1
9 c14 25 1 25 97 parsed_2m7f 1
10 D15 27 1 27 97 parsed_2m7f 1
11 A16 29 1 29 97 parsed_2m7f 1
12 A17 31 1 31 105 parsed_2m7f 1
13 T18 33 1 33 97 parsed_2m7f 1
14 c19 35 1 35 95 parsed_2m7f 1
15 K20 37 1 37 97 parsed_2m7f 1
16 L21 39 1 39 97 parsed_2m7f 1
17
;
R22
assign (resid 21 and name c) (resid 22 and name n) (resid 22 and name ca) (resid 22 and name c) 1 -78.71 40.00 2
P23
assign (resid 22 and name c) (resid 23 and name n) (resid 23 and name ca) (resid 23 and name c) 1 -133.69 40.00 2
G24
;
41 1 45 54 parsed_2m7f 1
18 A25 47 1 47 97 parsed_2m7f 1
19 Q26 49 1 49 97 parsed_2m7f 1
20 c27 51 1 51 97 parsed_2m7f 1
21 G28 53 1 53 97 parsed_2m7f 1
22 E29 55 1 55 96 parsed_2m7f 1
23 G30 57 1 57 97 parsed_2m7f 1
24 L31 59 1 59 95 parsed_2m7f 1
25 c32 61 1 61 97 parsed_2m7f 1
26 c33 63 1 63 97 parsed_2m7f 1
27 E34 65 1 65 95 parsed_2m7f 1
28 Q35 67 1 67 73 parsed_2m7f 1
29 c36 69 1 69 99 parsed_2m7f 1
30 K37 71 1 71 95 parsed_2m7f 1
31 F38 73 1 73 97 parsed_2m7f 1
32 S39 75 1 75 97 parsed_2m7f 1
33 R40 77 1 77 95 parsed_2m7f 1
34 A41 79 1 79 97 parsed_2m7f 1
35 G42 81 1 81 97 parsed_2m7f 1
36 K43 83 1 83 97 parsed_2m7f 1
37 I44 85 1 85 97 parsed_2m7f 1
38 c45 87 1 87 99 parsed_2m7f 1
39 R46 89 1 89 97 parsed_2m7f 1
40 I47 91 1 91 90 parsed_2m7f 1
41 A48 93 1 93 95 parsed_2m7f 1
42 R49 95 1 95 97 parsed_2m7f 1
43 G50 97 1 97 97 parsed_2m7f 1
44
;
D51
assign (resid 50 and name c) (resid 51 and name n) (resid 51 and name ca) (resid 51 and name c) 1 -86.49 50.00 2
W52
;
99 1 101 82 parsed_2m7f 1
45 N53 103 1 103 82 parsed_2m7f 1
46 D54 105 1 105 82 parsed_2m7f 1
47 D55 107 1 107 97 parsed_2m7f 1
48
;
R56
assign (resid 55 and name c) (resid 56 and name n) (resid 56 and name ca) (resid 56 and name c) 1 -90.17 40.00 2
c57
;
109 1 111 82 parsed_2m7f 1
49 T58 113 1 113 97 parsed_2m7f 1
50 G59 115 1 115 97 parsed_2m7f 1
51 Q60 117 1 117 97 parsed_2m7f 1
52 S61 119 1 119 97 parsed_2m7f 1
53 A62 121 1 121 97 parsed_2m7f 1
54 D63 123 1 123 97 parsed_2m7f 1
55 c64 125 1 125 95 parsed_2m7f 1
56
;
P65
assign (resid 64 and name c) (resid 65 and name n) (resid 65 and name ca) (resid 65 and name c) 1 -59.80 40.00 2
R66
;
127 1 129 82 parsed_2m7f 1
57 N67 131 1 131 105 parsed_2m7f 1
58 G68 133 1 133 95 parsed_2m7f 1
59 L69 135 1 135 103 parsed_2m7f 1
60 Y70 137 1 137 82 parsed_2m7f 1
61 "sequencial NOE (NHi-NHi+1,CAi-HN+1)" 140 1 140 37 parsed_2m7f 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 end 139 1 139 3 parsed_2m7f 1
stop_
save_
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