NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
49559 |
2jub   |
15438 | cing | 2-parsed | STAR | dihedral angle | 85 |
data_2jub_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2jub
_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_2jub 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2jub
_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 2jub "Master copy" parsed_2jub
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2jub
_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 2jub.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2jub 1
1 2jub.mr . . XPLOR/CNS 2 distance NOE simple 1207 parsed_2jub 1
1 2jub.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 38 parsed_2jub 1
1 2jub.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_2jub 1
1 2jub.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 8 parsed_2jub 1
1 2jub.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 85 parsed_2jub 1
1 2jub.mr . . XPLOR/CNS 7 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2jub 1
1 2jub.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2jub 1
stop_
save_
save_CNS/XPLOR_dihedral_6
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2jub
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 6
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.2 -40.2 . ip1 2 . c ip1 3 . n ip1 3 . ca ip1 3 . c parsed_2jub 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 -25.0 . ip1 3 . n ip1 3 . ca ip1 3 . c ip1 4 . n parsed_2jub 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.09 -42.09 . ip1 3 . c ip1 4 . n ip1 4 . ca ip1 4 . c parsed_2jub 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.7 -29.7 . ip1 4 . n ip1 4 . ca ip1 4 . c ip1 5 . n parsed_2jub 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.81 -40.81 . ip1 4 . c ip1 5 . n ip1 5 . ca ip1 5 . c parsed_2jub 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 -25.0 . ip1 5 . n ip1 5 . ca ip1 5 . c ip1 6 . n parsed_2jub 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.36 -49.36 . ip1 5 . c ip1 6 . n ip1 6 . ca ip1 6 . c parsed_2jub 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 -25.0 . ip1 6 . n ip1 6 . ca ip1 6 . c ip1 7 . n parsed_2jub 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.13 -44.13 . ip1 6 . c ip1 7 . n ip1 7 . ca ip1 7 . c parsed_2jub 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 -25.0 . ip1 7 . n ip1 7 . ca ip1 7 . c ip1 8 . n parsed_2jub 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.68 -41.68 . ip1 7 . c ip1 8 . n ip1 8 . ca ip1 8 . c parsed_2jub 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 -25.0 . ip1 8 . n ip1 8 . ca ip1 8 . c ip1 9 . n parsed_2jub 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.99 -41.99 . ip1 8 . c ip1 9 . n ip1 9 . ca ip1 9 . c parsed_2jub 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 -25.0 . ip1 9 . n ip1 9 . ca ip1 9 . c ip1 10 . n parsed_2jub 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.01 -49.01 . ip1 9 . c ip1 10 . n ip1 10 . ca ip1 10 . c parsed_2jub 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 -20.0 . ip1 10 . n ip1 10 . ca ip1 10 . c ip1 11 . n parsed_2jub 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.01 -20.01 . ip1 17 . c ip1 18 . n ip1 18 . ca ip1 18 . c parsed_2jub 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.44 -66.44 . ip1 18 . c ip1 19 . n ip1 19 . ca ip1 19 . c parsed_2jub 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 180.0 . ip1 19 . n ip1 19 . ca ip1 19 . c ip1 20 . n parsed_2jub 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.3 -66.3 . ip1 19 . c ip1 20 . n ip1 20 . ca ip1 20 . c parsed_2jub 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 180.0 . ip1 20 . n ip1 20 . ca ip1 20 . c ip1 21 . n parsed_2jub 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -128.0 -48.0 . ip1 20 . c ip1 21 . n ip1 21 . ca ip1 21 . c parsed_2jub 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 180.0 . ip1 21 . n ip1 21 . ca ip1 21 . c ip1 22 . n parsed_2jub 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.5 -73.5 . ip1 25 . c ip1 26 . n ip1 26 . ca ip1 26 . c parsed_2jub 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 180.0 . ip1 26 . n ip1 26 . ca ip1 26 . c ip1 27 . n parsed_2jub 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -128.0 -48.0 . ip1 26 . c ip1 27 . n ip1 27 . ca ip1 27 . c parsed_2jub 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 180.0 . ip1 27 . n ip1 27 . ca ip1 27 . c ip1 28 . n parsed_2jub 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.0 -61.0 . ip1 27 . c ip1 28 . n ip1 28 . ca ip1 28 . c parsed_2jub 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151.68 -111.68 . ip1 30 . c ip1 31 . n ip1 31 . ca ip1 31 . c parsed_2jub 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159.18 -119.18 . ip1 31 . c ip1 32 . n ip1 32 . ca ip1 32 . c parsed_2jub 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 180.0 . ip1 38 . n ip1 38 . ca ip1 38 . c ip1 39 . n parsed_2jub 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -174.9 -94.9 . ip1 38 . c ip1 39 . n ip1 39 . ca ip1 39 . c parsed_2jub 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 180.0 . ip1 39 . n ip1 39 . ca ip1 39 . c ip1 40 . n parsed_2jub 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -183.8 -103.8 . ip1 39 . c ip1 40 . n ip1 40 . ca ip1 40 . c parsed_2jub 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 180.0 . ip1 40 . n ip1 40 . ca ip1 40 . c ip1 41 . n parsed_2jub 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -181.6 -101.6 . ip1 40 . c ip1 41 . n ip1 41 . ca ip1 41 . c parsed_2jub 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 180.0 . ip1 41 . n ip1 41 . ca ip1 41 . c ip1 42 . n parsed_2jub 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.6 -66.6 . ip1 41 . c ip1 42 . n ip1 42 . ca ip1 42 . c parsed_2jub 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 180.00 . ip1 42 . n ip1 42 . ca ip1 42 . c ip1 43 . n parsed_2jub 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.7 -93.7 . ip1 42 . c ip1 43 . n ip1 43 . ca ip1 43 . c parsed_2jub 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 180.0 . ip1 46 . n ip1 46 . ca ip1 46 . c ip1 47 . n parsed_2jub 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.76 -69.76 . ip1 46 . c ip1 47 . n ip1 47 . ca ip1 47 . c parsed_2jub 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 180.0 . ip1 47 . n ip1 47 . ca ip1 47 . c ip1 48 . n parsed_2jub 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.44 -65.44 . ip1 47 . c ip1 48 . n ip1 48 . ca ip1 48 . c parsed_2jub 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 180.0 . ip1 48 . n ip1 48 . ca ip1 48 . c ip1 49 . n parsed_2jub 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156.74 -76.74 . ip1 48 . c ip1 49 . n ip1 49 . ca ip1 49 . c parsed_2jub 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 180.0 . ip1 49 . n ip1 49 . ca ip1 49 . c ip1 50 . n parsed_2jub 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.15 -72.15 . ip1 49 . c ip1 50 . n ip1 50 . ca ip1 50 . c parsed_2jub 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 180.0 . ip1 50 . n ip1 50 . ca ip1 50 . c ip1 51 . n parsed_2jub 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -107.6 -57.6 . ip1 51 . c ip1 52 . n ip1 52 . ca ip1 52 . c parsed_2jub 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.58 -100.58 . ip1 52 . c ip1 53 . n ip1 53 . ca ip1 53 . c parsed_2jub 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.55 194.55 . ip1 53 . n ip1 53 . ca ip1 53 . c ip1 54 . n parsed_2jub 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.42 -83.42 . ip1 54 . c ip1 55 . n ip1 55 . ca ip1 55 . c parsed_2jub 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.56 -60.56 . ip1 56 . c ip1 57 . n ip1 57 . ca ip1 57 . c parsed_2jub 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.64 -91.64 . ip1 57 . c ip1 58 . n ip1 58 . ca ip1 58 . c parsed_2jub 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -166.24 -86.24 . ip1 58 . c ip1 59 . n ip1 59 . ca ip1 59 . c parsed_2jub 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96.0 176.0 . ip1 59 . n ip1 59 . ca ip1 59 . c ip1 60 . n parsed_2jub 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136.0 -56.0 . ip1 59 . c ip1 60 . n ip1 60 . ca ip1 60 . c parsed_2jub 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 180.0 . ip1 60 . n ip1 60 . ca ip1 60 . c ip1 61 . n parsed_2jub 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156.57 -76.57 . ip1 60 . c ip1 61 . n ip1 61 . ca ip1 61 . c parsed_2jub 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 94.1 174.1 . ip1 61 . n ip1 61 . ca ip1 61 . c ip1 62 . n parsed_2jub 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.26 -58.26 . ip1 61 . c ip1 62 . n ip1 62 . ca ip1 62 . c parsed_2jub 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 180.0 . ip1 62 . n ip1 62 . ca ip1 62 . c ip1 63 . n parsed_2jub 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -168.99 -88.99 . ip1 62 . c ip1 63 . n ip1 63 . ca ip1 63 . c parsed_2jub 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.35 -41.35 . ip1 64 . c ip1 65 . n ip1 65 . ca ip1 65 . c parsed_2jub 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 -25.0 . ip1 65 . n ip1 65 . ca ip1 65 . c ip1 66 . n parsed_2jub 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.61 -43.61 . ip1 65 . c ip1 66 . n ip1 66 . ca ip1 66 . c parsed_2jub 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 -25.0 . ip1 66 . n ip1 66 . ca ip1 66 . c ip1 67 . n parsed_2jub 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.43 -53.43 . ip1 66 . c ip1 67 . n ip1 67 . ca ip1 67 . c parsed_2jub 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 -25.0 . ip1 67 . n ip1 67 . ca ip1 67 . c ip1 68 . n parsed_2jub 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.49 -45.49 . ip1 67 . c ip1 68 . n ip1 68 . ca ip1 68 . c parsed_2jub 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 -25.0 . ip1 68 . n ip1 68 . ca ip1 68 . c ip1 69 . n parsed_2jub 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.57 -41.57 . ip1 68 . c ip1 69 . n ip1 69 . ca ip1 69 . c parsed_2jub 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 -25.0 . ip1 69 . n ip1 69 . ca ip1 69 . c ip1 70 . n parsed_2jub 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.25 -44.25 . ip1 69 . c ip1 70 . n ip1 70 . ca ip1 70 . c parsed_2jub 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 -25.0 . ip1 70 . n ip1 70 . ca ip1 70 . c ip1 71 . n parsed_2jub 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.0 -44.0 . ip1 70 . c ip1 71 . n ip1 71 . ca ip1 71 . c parsed_2jub 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 -25.0 . ip1 71 . n ip1 71 . ca ip1 71 . c ip1 72 . n parsed_2jub 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.0 -44.0 . ip1 71 . c ip1 72 . n ip1 72 . ca ip1 72 . c parsed_2jub 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 -25.0 . ip1 72 . n ip1 72 . ca ip1 72 . c ip1 73 . n parsed_2jub 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.69 -59.69 . ip1 72 . c ip1 73 . n ip1 73 . ca ip1 73 . c parsed_2jub 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 -25.0 . ip1 73 . n ip1 73 . ca ip1 73 . c ip1 74 . n parsed_2jub 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . ip1 73 . c ip1 74 . n ip1 74 . ca ip1 74 . c parsed_2jub 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . ip1 74 . c ip1 75 . n ip1 75 . ca ip1 75 . c parsed_2jub 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 -25.0 . ip1 75 . n ip1 75 . ca ip1 75 . c ip1 76 . n parsed_2jub 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
;
Dihedral angles for ip1 obtained from TALOS.
TALOS angles for ip1 in usr/local/nmrpipe2/talos
Dihedral and TALOS values agree unless otherwise stated
L3 phi
;
1 1 5 8 parsed_2jub 1
2 "L3 psi" 12 1 12 8 parsed_2jub 1
3 "T4 phi" 19 1 19 8 parsed_2jub 1
4 "T4 psi" 26 1 26 8 parsed_2jub 1
5 "S5 phi" 34 1 34 8 parsed_2jub 1
6 "S5 psi" 40 1 40 8 parsed_2jub 1
7 "E6 phi" 47 1 47 8 parsed_2jub 1
8 "E6 psi" 53 1 53 8 parsed_2jub 1
9 "V7 phi" 61 1 61 8 parsed_2jub 1
10 "V7 psi" 67 1 67 8 parsed_2jub 1
11 "I8 phi" 74 1 74 8 parsed_2jub 1
12 "I8 psi" 80 1 80 8 parsed_2jub 1
13 "K9 phi" 87 1 87 8 parsed_2jub 1
14 "K9 psi" 93 1 93 8 parsed_2jub 1
15 "A10 phi" 101 1 101 9 parsed_2jub 1
16 "A10 psi" 108 1 108 9 parsed_2jub 1
17 "P18 phi" 115 1 115 9 parsed_2jub 1
18
;
P18 psi
assign (segid="ip1" and resid 18 and name n)
(segid="ip1" and resid 18 and name ca)
(segid="ip1" and resid 18 and name c)
(segid="ip1" and resid 19 and name n) 1 144.51 15.0 2
M19 phi
;
122 1 128 9 parsed_2jub 1
19 "M19 psi" 135 1 135 9 parsed_2jub 1
20 "I20 phi" 144 1 144 9 parsed_2jub 1
21 "I20 psi" 150 1 150 9 parsed_2jub 1
22 "S21 phi" 156 1 156 9 parsed_2jub 1
23 "S21 psi" 162 1 162 9 parsed_2jub 1
24 "E26 phi" 169 1 169 9 parsed_2jub 1
25 "E26 psi" 175 1 175 9 parsed_2jub 1
26 "E27 phi" 182 1 182 9 parsed_2jub 1
27 "E27 psi" 188 1 188 9 parsed_2jub 1
28 "I28 phi" 194 1 194 9 parsed_2jub 1
29
;
G30 phi
assign (segid="ip1" and resid 29 and name c)
(segid="ip1" and resid 30 and name n)
(segid="ip1" and resid 30 and name ca)
(segid="ip1" and resid 30 and name c) 1 85.7 20.0 2
T31 phi
;
200 1 207 10 parsed_2jub 1
30
;
T31 psi
assign (segid="ip1" and resid 31 and name n)
(segid="ip1" and resid 31 and name ca)
(segid="ip1" and resid 31 and name c)
(segid="ip1" and resid 32 and name n) 1 163.25 15.0 2
V32 phi
;
213 1 220 9 parsed_2jub 1
31
;
V32 psi
assign (segid="ip1" and resid 32 and name n)
(segid="ip1" and resid 32 and name ca)
(segid="ip1" and resid 32 and name c)
(segid="ip1" and resid 33 and name n) 1 144.26 15.0 2
W38 psi
;
226 1 232 9 parsed_2jub 1
32 "S39 phi" 238 1 238 10 parsed_2jub 1
33 "S39 psi" 244 1 244 9 parsed_2jub 1
34 "A40 phi" 250 1 250 10 parsed_2jub 1
35 "A40 psi" 256 1 256 16 parsed_2jub 1
36 "K41 phi" 263 1 263 9 parsed_2jub 1
37 "K41 psi" 270 1 270 9 parsed_2jub 1
38 "K42 phi" 278 1 278 9 parsed_2jub 1
39 "K42 psi" 285 1 285 9 parsed_2jub 1
40 "D43 phi" 293 1 293 9 parsed_2jub 1
41 "T46 psi may not be part of beta sheet- not hydrogen bonded, but talos values fit" 302 1 302 84 parsed_2jub 1
42 "I47 phi" 311 1 311 9 parsed_2jub 1
43 "I47 psi" 319 1 319 9 parsed_2jub 1
44 "V48 phi" 328 1 328 9 parsed_2jub 1
45 "V48 psi" 335 1 335 9 parsed_2jub 1
46 "I49 phi" 344 1 344 10 parsed_2jub 1
47 "I49 psi" 351 1 351 9 parsed_2jub 1
48 "S50 phi" 360 1 360 9 parsed_2jub 1
49 "S50 psi" 367 1 367 9 parsed_2jub 1
50 "A52 phi" 374 1 374 10 parsed_2jub 1
51 "E53 phi" 381 1 381 10 parsed_2jub 1
52 "E53 psi" 387 1 387 9 parsed_2jub 1
53 "T55 phi" 395 1 395 10 parsed_2jub 1
54 "L57 phi" 405 1 405 10 parsed_2jub 1
55 "F58 phi" 414 1 414 9 parsed_2jub 1
56 "K59 phi" 422 1 422 9 parsed_2jub 1
57 "K59 psi" 429 1 429 9 parsed_2jub 1
58 "A60 phi" 437 1 437 9 parsed_2jub 1
59 "A60 psi" 443 1 443 9 parsed_2jub 1
60 "K61 phi" 451 1 451 9 parsed_2jub 1
61 "K61 psi" 458 1 458 9 parsed_2jub 1
62 "H62 phi" 466 1 466 9 parsed_2jub 1
63 "H62 psi" 473 1 473 9 parsed_2jub 1
64 "I63 phi" 481 1 481 10 parsed_2jub 1
65 "A65 phi" 488 1 488 9 parsed_2jub 1
66 "A65 psi" 495 1 495 9 parsed_2jub 1
67 "A66 phi" 504 1 504 10 parsed_2jub 1
68 "A66 psi" 510 1 510 9 parsed_2jub 1
69 "H67 phi" 518 1 518 9 parsed_2jub 1
70 "H67 psi" 524 1 524 9 parsed_2jub 1
71 "L68 phi" 533 1 533 10 parsed_2jub 1
72 "L68 psi" 539 1 539 9 parsed_2jub 1
73 "K69 phi" 548 1 548 11 parsed_2jub 1
74 "K69 psi" 555 1 555 9 parsed_2jub 1
75 "I70 phi" 563 1 563 10 parsed_2jub 1
76 "I70 psi" 569 1 569 9 parsed_2jub 1
77 "I71 phi" 575 1 575 9 parsed_2jub 1
78 "I71 psi" 581 1 581 9 parsed_2jub 1
79 "I72 phi" 587 1 587 9 parsed_2jub 1
80 "A72 psi" 593 1 593 9 parsed_2jub 1
81 "A73 phi" 599 1 599 10 parsed_2jub 1
82 "K73 psi" 605 1 605 9 parsed_2jub 1
83 "N74 phi bad fit in talos" 611 1 611 27 parsed_2jub 1
84 "L75 phi bad fit in talos" 618 1 618 28 parsed_2jub 1
85 "L75 psi" 624 1 624 9 parsed_2jub 1
stop_
save_
Contact the webmaster for help, if required. Thursday, May 23, 2024 10:53:27 PM GMT (wattos1)