Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
49184 | 2jrb RC | 15325 | cing | 2-parsed | STAR | dihedral angle | 140 |
data_2jrb_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2jrb
_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_2jrb 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2jrb
_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 2jrb "Master copy" parsed_2jrb
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2jrb
_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 2jrb.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2jrb 1
1 2jrb.mr . . XPLOR/CNS 2 "chemical shift" "Not applicable" "Not applicable" 0 parsed_2jrb 1
1 2jrb.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 140 parsed_2jrb 1
1 2jrb.mr . . XPLOR/CNS 4 "coupling constant" "Not applicable" "Not applicable" 0 parsed_2jrb 1
1 2jrb.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 0 parsed_2jrb 1
1 2jrb.mr . . XPLOR/CNS 6 distance NOE simple 0 parsed_2jrb 1
1 2jrb.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2jrb 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2jrb
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.0 -55.0 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_2jrb 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 94.0 166.0 . . 2 . N . 2 . CA . 2 . C . 3 . N parsed_2jrb 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -184.5 -27.1 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_2jrb 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 87.8 163.6 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_2jrb 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -117.5 -45.3 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_2jrb 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 93.4 167.0 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_2jrb 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.1 -35.1 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_2jrb 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 74.5 174.7 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_2jrb 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -6.6 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_2jrb 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.1 173.1 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_2jrb 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.7 -50.5 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_2jrb 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.6 167.2 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_2jrb 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -193.0 -24.4 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_2jrb 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 56.2 173.2 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_2jrb 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -182.5 11.7 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_2jrb 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.3 165.1 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_2jrb 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.1 -32.1 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_2jrb 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.9 12.9 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_2jrb 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.7 -45.7 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_2jrb 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.5 -16.5 . . 19 . N . 19 . CA . 19 . C . 20 . N parsed_2jrb 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.9 -40.9 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_2jrb 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.4 -10.4 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_2jrb 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.7 -31.7 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_2jrb 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.1 -18.7 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_2jrb 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.7 -38.7 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_2jrb 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.4 -9.2 . . 21 . N . 21 . CA . 21 . C . 22 . N parsed_2jrb 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.5 -36.5 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_2jrb 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.9 -10.9 . . 22 . N . 22 . CA . 22 . C . 23 . N parsed_2jrb 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.3 -34.3 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_2jrb 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.9 -7.9 . . 23 . N . 23 . CA . 23 . C . 24 . N parsed_2jrb 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.6 -36.6 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_2jrb 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.9 -9.3 . . 24 . N . 24 . CA . 24 . C . 25 . N parsed_2jrb 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.6 -45.6 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_2jrb 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.6 -7.0 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_2jrb 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -103.2 -42.6 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_2jrb 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.9 3.7 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_2jrb 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.1 -37.1 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_2jrb 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.4 -17.0 . . 27 . N . 27 . CA . 27 . C . 28 . N parsed_2jrb 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.4 -36.4 . . 27 . C . 28 . N . 28 . CA . 28 . C parsed_2jrb 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.6 0.6 . . 28 . N . 28 . CA . 28 . C . 29 . N parsed_2jrb 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.4 -35.4 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_2jrb 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.8 -12.8 . . 29 . N . 29 . CA . 29 . C . 30 . N parsed_2jrb 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.7 -37.7 . . 29 . C . 30 . N . 30 . CA . 30 . C parsed_2jrb 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.2 -11.2 . . 30 . N . 30 . CA . 30 . C . 31 . N parsed_2jrb 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.3 -33.3 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_2jrb 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.1 -17.3 . . 31 . N . 31 . CA . 31 . C . 32 . N parsed_2jrb 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.3 -47.3 . . 31 . C . 32 . N . 32 . CA . 32 . C parsed_2jrb 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.1 0.3 . . 32 . N . 32 . CA . 32 . C . 33 . N parsed_2jrb 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136.7 -32.1 . . 32 . C . 33 . N . 33 . CA . 33 . C parsed_2jrb 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.8 55.2 . . 33 . N . 33 . CA . 33 . C . 34 . N parsed_2jrb 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.4 -46.4 . . 33 . C . 34 . N . 34 . CA . 34 . C parsed_2jrb 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.7 -7.5 . . 34 . N . 34 . CA . 34 . C . 35 . N parsed_2jrb 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.1 -36.1 . . 34 . C . 35 . N . 35 . CA . 35 . C parsed_2jrb 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.8 -5.0 . . 35 . N . 35 . CA . 35 . C . 36 . N parsed_2jrb 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -131.5 -45.1 . . 35 . C . 36 . N . 36 . CA . 36 . C parsed_2jrb 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 41.0 . . 36 . N . 36 . CA . 36 . C . 37 . N parsed_2jrb 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.6 -40.2 . . 39 . C . 40 . N . 40 . CA . 40 . C parsed_2jrb 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.3 174.5 . . 40 . N . 40 . CA . 40 . C . 41 . N parsed_2jrb 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -187.7 -72.7 . . 40 . C . 41 . N . 41 . CA . 41 . C parsed_2jrb 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.2 184.0 . . 41 . N . 41 . CA . 41 . C . 42 . N parsed_2jrb 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -207.0 -43.6 . . 41 . C . 42 . N . 42 . CA . 42 . C parsed_2jrb 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 97.7 188.5 . . 42 . N . 42 . CA . 42 . C . 43 . N parsed_2jrb 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -166.9 -57.5 . . 42 . C . 43 . N . 43 . CA . 43 . C parsed_2jrb 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 86.6 161.6 . . 43 . N . 43 . CA . 43 . C . 44 . N parsed_2jrb 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -182.0 12.8 . . 43 . C . 44 . N . 44 . CA . 44 . C parsed_2jrb 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.8 210.4 . . 44 . N . 44 . CA . 44 . C . 45 . N parsed_2jrb 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 0.0 . . 44 . C . 45 . N . 45 . CA . 45 . C parsed_2jrb 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 86.7 200.5 . . 45 . N . 45 . CA . 45 . C . 46 . N parsed_2jrb 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -182.7 -42.9 . . 47 . C . 48 . N . 48 . CA . 48 . C parsed_2jrb 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 59.7 188.5 . . 48 . N . 48 . CA . 48 . C . 49 . N parsed_2jrb 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -142.1 -79.5 . . 48 . C . 49 . N . 49 . CA . 49 . C parsed_2jrb 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.7 165.7 . . 49 . N . 49 . CA . 49 . C . 50 . N parsed_2jrb 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.5 -65.5 . . 49 . C . 50 . N . 50 . CA . 50 . C parsed_2jrb 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.5 187.5 . . 50 . N . 50 . CA . 50 . C . 51 . N parsed_2jrb 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.0 -54.0 . . 50 . C . 51 . N . 51 . CA . 51 . C parsed_2jrb 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 94.9 148.7 . . 51 . N . 51 . CA . 51 . C . 52 . N parsed_2jrb 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.3 -71.5 . . 51 . C . 52 . N . 52 . CA . 52 . C parsed_2jrb 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.9 148.5 . . 52 . N . 52 . CA . 52 . C . 53 . N parsed_2jrb 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.1 -98.7 . . 52 . C . 53 . N . 53 . CA . 53 . C parsed_2jrb 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 64.2 193.4 . . 53 . N . 53 . CA . 53 . C . 54 . N parsed_2jrb 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.7 -51.9 . . 55 . C . 56 . N . 56 . CA . 56 . C parsed_2jrb 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 92.9 167.9 . . 56 . N . 56 . CA . 56 . C . 57 . N parsed_2jrb 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -186.0 -62.0 . . 56 . C . 57 . N . 57 . CA . 57 . C parsed_2jrb 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.1 181.5 . . 57 . N . 57 . CA . 57 . C . 58 . N parsed_2jrb 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.0 -66.6 . . 57 . C . 58 . N . 58 . CA . 58 . C parsed_2jrb 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 85.4 178.0 . . 58 . N . 58 . CA . 58 . C . 59 . N parsed_2jrb 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.8 -32.8 . . 58 . C . 59 . N . 59 . CA . 59 . C parsed_2jrb 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55.5 229.1 . . 59 . N . 59 . CA . 59 . C . 60 . N parsed_2jrb 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -208.7 -28.9 . . 59 . C . 60 . N . 60 . CA . 60 . C parsed_2jrb 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 66.0 209.2 . . 60 . N . 60 . CA . 60 . C . 61 . N parsed_2jrb 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -103.3 -36.9 . . 60 . C . 61 . N . 61 . CA . 61 . C parsed_2jrb 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.8 -2.4 . . 61 . N . 61 . CA . 61 . C . 62 . N parsed_2jrb 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.2 -32.2 . . 62 . C . 63 . N . 63 . CA . 63 . C parsed_2jrb 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.0 -6.4 . . 63 . N . 63 . CA . 63 . C . 64 . N parsed_2jrb 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.8 -36.8 . . 63 . C . 64 . N . 64 . CA . 64 . C parsed_2jrb 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.0 -13.8 . . 64 . N . 64 . CA . 64 . C . 65 . N parsed_2jrb 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . . 65 . C . 66 . N . 66 . CA . 66 . C parsed_2jrb 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.2 -9.2 . . 66 . N . 66 . CA . 66 . C . 67 . N parsed_2jrb 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.6 -36.6 . . 66 . C . 67 . N . 67 . CA . 67 . C parsed_2jrb 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.9 -6.9 . . 67 . N . 67 . CA . 67 . C . 68 . N parsed_2jrb 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.8 -37.8 . . 67 . C . 68 . N . 68 . CA . 68 . C parsed_2jrb 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.0 -11.8 . . 68 . N . 68 . CA . 68 . C . 69 . N parsed_2jrb 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.0 -36.8 . . 68 . C . 69 . N . 69 . CA . 69 . C parsed_2jrb 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.6 -18.4 . . 69 . N . 69 . CA . 69 . C . 70 . N parsed_2jrb 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.0 -43.0 . . 69 . C . 70 . N . 70 . CA . 70 . C parsed_2jrb 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.1 -19.3 . . 70 . N . 70 . CA . 70 . C . 71 . N parsed_2jrb 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.5 -32.9 . . 70 . C . 71 . N . 71 . CA . 71 . C parsed_2jrb 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.6 -1.4 . . 71 . N . 71 . CA . 71 . C . 72 . N parsed_2jrb 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.5 -34.1 . . 74 . C . 75 . N . 75 . CA . 75 . C parsed_2jrb 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.7 -5.3 . . 75 . N . 75 . CA . 75 . C . 76 . N parsed_2jrb 1
111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.2 -36.2 . . 75 . C . 76 . N . 76 . CA . 76 . C parsed_2jrb 1
112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.0 -21.2 . . 76 . N . 76 . CA . 76 . C . 77 . N parsed_2jrb 1
113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -42.0 . . 76 . C . 77 . N . 77 . CA . 77 . C parsed_2jrb 1
114 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.0 -7.8 . . 77 . N . 77 . CA . 77 . C . 78 . N parsed_2jrb 1
115 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.5 -40.3 . . 76 . C . 77 . N . 77 . CA . 77 . C parsed_2jrb 1
116 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.6 -4.2 . . 77 . N . 77 . CA . 77 . C . 78 . N parsed_2jrb 1
117 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.3 -45.3 . . 77 . C . 78 . N . 78 . CA . 78 . C parsed_2jrb 1
118 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.9 -19.9 . . 78 . N . 78 . CA . 78 . C . 79 . N parsed_2jrb 1
119 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.7 -41.9 . . 78 . C . 79 . N . 79 . CA . 79 . C parsed_2jrb 1
120 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.6 -18.6 . . 79 . N . 79 . CA . 79 . C . 80 . N parsed_2jrb 1
121 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -124.1 -25.7 . . 82 . C . 83 . N . 83 . CA . 83 . C parsed_2jrb 1
122 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 81.0 181.0 . . 83 . N . 83 . CA . 83 . C . 84 . N parsed_2jrb 1
123 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -177.1 -16.7 . . 85 . C . 86 . N . 86 . CA . 86 . C parsed_2jrb 1
124 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 61.9 170.9 . . 86 . N . 86 . CA . 86 . C . 87 . N parsed_2jrb 1
125 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -129.2 -15.6 . . 87 . C . 88 . N . 88 . CA . 88 . C parsed_2jrb 1
126 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.8 183.0 . . 88 . N . 88 . CA . 88 . C . 89 . N parsed_2jrb 1
127 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 16 . N . 16 . CA . 16 . CB . 16 . CG parsed_2jrb 1
128 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 90.0 . . 17 . N . 17 . CA . 17 . CB . 17 . CG parsed_2jrb 1
129 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 21 . N . 21 . CA . 21 . CB . 21 . CG parsed_2jrb 1
130 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 90.0 . . 60 . N . 60 . CA . 60 . CB . 60 . CG parsed_2jrb 1
131 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 90.0 . . 63 . N . 63 . CA . 63 . CB . 63 . CG parsed_2jrb 1
132 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 65 . N . 65 . CA . 65 . CB . 65 . CG parsed_2jrb 1
133 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 73 . N . 73 . CA . 73 . CB . 73 . CG parsed_2jrb 1
134 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 30 . n . 30 . ca . 30 . cb . 30 . cg1 parsed_2jrb 1
135 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 48 . n . 48 . ca . 48 . cb . 48 . cg1 parsed_2jrb 1
136 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 48 . ca . 48 . cb . 48 . cg . 48 . cd1 parsed_2jrb 1
137 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 51 . n . 51 . ca . 51 . cb . 51 . cg1 parsed_2jrb 1
138 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 180.0 . . 51 . ca . 51 . cb . 51 . cg . 51 . cd1 parsed_2jrb 1
139 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 53 . n . 53 . ca . 53 . cb . 53 . cg1 parsed_2jrb 1
140 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 53 . ca . 53 . cb . 53 . cg . 53 . cd1 parsed_2jrb 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 angle restrains, from TALOS
Q2 (TALOS: Phi -100.0 +/- 15.0 , TALOS: Psi 130.0 +/- 12.0 )
;
2 1 4 63 parsed_2jrb 1
2 "V3 (TALOS: Phi -105.8 +/- 26.2 , TALOS: Psi 125.7 +/- 12.6 )" 9 1 9 63 parsed_2jrb 1
3 "T4 (TALOS: Phi -81.4 +/- 12.0 , TALOS: Psi 130.2 +/- 12.3 )" 14 1 14 62 parsed_2jrb 1
4 "P9 (TALOS: Phi -91.6 +/- 18.8 , TALOS: Psi 124.6 +/- 16.7 )" 19 1 19 62 parsed_2jrb 1
5 "I10 (TALOS: Phi -92.8 +/- 28.7 , TALOS: Psi 121.6 +/- 17.2 )" 24 1 24 63 parsed_2jrb 1
6 "R11 (TALOS: Phi -105.6 +/- 18.4 , TALOS: Psi 131.4 +/- 11.9 )" 29 1 29 64 parsed_2jrb 1
7 "I12 (TALOS: Phi -108.7 +/- 28.1 , TALOS: Psi 114.7 +/- 19.5 )" 34 1 34 64 parsed_2jrb 1
8 "T13 (TALOS: Phi -85.4 +/- 32.4 , TALOS: Psi 133.7 +/- 10.5 )" 39 1 39 63 parsed_2jrb 1
9 "S17 (TALOS: Phi -62.1 +/- 5.9 , TALOS: Psi -30.0 +/- 14.3 )" 44 1 44 63 parsed_2jrb 1
10 "E19 (TALOS: Phi -65.7 +/- 3.4 , TALOS: Psi -36.5 +/- 5.7 )" 49 1 49 63 parsed_2jrb 1
11 "P18 (TALOS: Phi -64.4 +/- 7.8 , TALOS: Psi -40.4 +/- 5.2 )" 54 1 54 63 parsed_2jrb 1
12 "T20 (TALOS: Phi -61.7 +/- 4.8 , TALOS: Psi -40.9 +/- 7.4 )" 59 1 59 63 parsed_2jrb 1
13 "M21 (TALOS: Phi -66.7 +/- 9.3 , TALOS: Psi -40.3 +/- 10.4 )" 64 1 64 63 parsed_2jrb 1
14 "K22 (TALOS: Phi -66.5 +/- 3.6 , TALOS: Psi -40.9 +/- 3.1 )" 69 1 69 63 parsed_2jrb 1
15 "A23 (TALOS: Phi -64.3 +/- 6.4 , TALOS: Psi -37.9 +/- 3.7 )" 74 1 74 63 parsed_2jrb 1
16 "R24 (TALOS: Phi -66.6 +/- 6.2 , TALOS: Psi -38.6 +/- 9.8 )" 79 1 79 63 parsed_2jrb 1
17 "R25 (TALOS: Phi -65.6 +/- 5.6 , TALOS: Psi -42.8 +/- 11.9 )" 84 1 84 63 parsed_2jrb 1
18 "A26 (TALOS: Phi -72.9 +/- 10.1 , TALOS: Psi -31.6 +/- 11.8 )" 89 1 89 63 parsed_2jrb 1
19 "W27 (TALOS: Phi -67.1 +/- 4.2 , TALOS: Psi -37.2 +/- 6.7 )" 94 1 94 63 parsed_2jrb 1
20 "T28 (TALOS: Phi -66.4 +/- 5.8 , TALOS: Psi -34.0 +/- 11.5 )" 99 1 99 63 parsed_2jrb 1
21 "D29 (TALOS: Phi -65.4 +/- 4.5 , TALOS: Psi -42.8 +/- 4.5 )" 104 1 104 63 parsed_2jrb 1
22 "V30 (TALOS: Phi -67.7 +/- 6.7 , TALOS: Psi -41.2 +/- 4.9 )" 109 1 109 63 parsed_2jrb 1
23 "I31 (TALOS: Phi -63.3 +/- 4.6 , TALOS: Psi -38.7 +/- 7.1 )" 114 1 114 63 parsed_2jrb 1
24 "Q32 (TALOS: Phi -69.8 +/- 7.5 , TALOS: Psi -34.9 +/- 11.7 )" 119 1 119 63 parsed_2jrb 1
25 "T33 (TALOS: Phi -84.4 +/- 17.4 , TALOS: Psi -20.8 +/- 25.3 )" 124 1 124 63 parsed_2jrb 1
26 "L34 (TALOS: Phi -66.4 +/- 5.9 , TALOS: Psi -36.6 +/- 9.7 )" 129 1 129 63 parsed_2jrb 1
27 "R35 (TALOS: Phi -67.6 +/- 10.5 , TALOS: Psi -34.4 +/- 9.8 )" 134 1 134 63 parsed_2jrb 1
28 "E36 (TALOS: Phi -88.3 +/- 14.4 , TALOS: Psi -4.5 +/- 15.2 )" 139 1 139 63 parsed_2jrb 1
29 "Q40 (TALOS: Phi -83.4 +/- 14.4 , TALOS: Psi 138.4 +/- 12.0 )" 144 1 144 63 parsed_2jrb 1
30 "P41 (TALOS: Phi -130.2 +/- 19.2 , TALOS: Psi 145.6 +/- 12.8 )" 149 1 149 64 parsed_2jrb 1
31 "R42 (TALOS: Phi -125.3 +/- 27.2 , TALOS: Psi 143.1 +/- 15.1 )" 154 1 154 64 parsed_2jrb 1
32 "L43 (TALOS: Phi -112.2 +/- 18.2 , TALOS: Psi 124.1 +/- 12.5 )" 159 1 159 64 parsed_2jrb 1
33 "L44 (TALOS: Phi -84.6 +/- 32.5 , TALOS: Psi 140.6 +/- 23.3 )" 164 1 164 63 parsed_2jrb 1
34 "K48 (TALOS: Phi -112.8 +/- 23.3 , TALOS: Psi 124.1 +/- 21.5 )" 173 1 173 64 parsed_2jrb 1
35 "L49 (TALOS: Phi -110.8 +/- 10.4 , TALOS: Psi 134.2 +/- 10.5 )" 178 1 178 64 parsed_2jrb 1
36 "S50 (TALOS: Phi -115.0 +/- 16.5 , TALOS: Psi 138.5 +/- 16.3 )" 183 1 183 64 parsed_2jrb 1
37 "I51 (TALOS: Phi -101.5 +/- 15.8 , TALOS: Psi 121.8 +/- 9.0 )" 188 1 188 64 parsed_2jrb 1
38 "T52 (TALOS: Phi -104.9 +/- 11.1 , TALOS: Psi 126.2 +/- 7.4 )" 193 1 193 64 parsed_2jrb 1
39 "I53 (TALOS: Phi -128.4 +/- 9.9 , TALOS: Psi 128.8 +/- 21.5 )" 198 1 198 64 parsed_2jrb 1
40 "E56 (TALOS: Phi -100.3 +/- 16.1 , TALOS: Psi 130.4 +/- 12.5 )" 203 1 203 64 parsed_2jrb 1
41 "T57 (TALOS: Phi -124.0 +/- 20.6 , TALOS: Psi 135.8 +/- 15.2 )" 208 1 208 64 parsed_2jrb 1
42 "K58 (TALOS: Phi -107.3 +/- 13.6 , TALOS: Psi 131.7 +/- 15.4 )" 213 1 213 64 parsed_2jrb 1
43 "V59 (TALOS: Phi -101.8 +/- 23.0 , TALOS: Psi 142.3 +/- 28.9 )" 218 1 218 64 parsed_2jrb 1
44 "F60 (TALOS: Phi -118.8 +/- 30.0 , TALOS: Psi 137.6 +/- 23.9 )" 223 1 223 64 parsed_2jrb 1
45 "H61 (TALOS: Phi -70.1 +/- 11.1 , TALOS: Psi -30.1 +/- 9.2 )" 228 1 228 63 parsed_2jrb 1
46 "K63 (TALOS: Phi -61.2 +/- 9.7 , TALOS: Psi -37.2 +/- 10.3 )" 233 1 233 63 parsed_2jrb 1
47 "T64 (TALOS: Phi -66.8 +/- 5.6 , TALOS: Psi -37.4 +/- 7.9 )" 238 1 238 63 parsed_2jrb 1
48 "F66 (TALOS: Phi -65.0 +/- 5.3 , TALOS: Psi -38.7 +/- 9.8 )" 243 1 243 63 parsed_2jrb 1
49 "T67 (TALOS: Phi -66.6 +/- 4.9 , TALOS: Psi -36.4 +/- 9.8 )" 248 1 248 63 parsed_2jrb 1
50 "Q68 (TALOS: Phi -67.8 +/- 5.9 , TALOS: Psi -37.4 +/- 8.5 )" 253 1 253 63 parsed_2jrb 1
51 "Y69 (TALOS: Phi -65.4 +/- 9.6 , TALOS: Psi -39.0 +/- 6.9 )" 258 1 258 63 parsed_2jrb 1
52 "L70 (TALOS: Phi -63.0 +/- 5.5 , TALOS: Psi -42.7 +/- 7.8 )" 263 1 263 63 parsed_2jrb 1
53 "S71 (TALOS: Phi -66.2 +/- 11.1 , TALOS: Psi -27.5 +/- 8.7 )" 268 1 268 63 parsed_2jrb 1
54 "A75 (TALOS: Phi -67.3 +/- 11.1 , TALOS: Psi -39.5 +/- 11.4 )" 273 1 273 63 parsed_2jrb 1
55 "L76 (TALOS: Phi -66.2 +/- 5.3 , TALOS: Psi -43.6 +/- 7.5 )" 278 1 278 63 parsed_2jrb 1
56 "Q77 (TALOS: Phi -64.5 +/- 7.5 , TALOS: Psi -36.9 +/- 9.7 )" 283 1 283 63 parsed_2jrb 1
57 "Q77 (TALOS: Phi -63.9 +/- 7.9 , TALOS: Psi -38.4 +/- 11.4 )" 288 1 288 63 parsed_2jrb 1
58 "R78 (TALOS: Phi -65.3 +/- 4.6 , TALOS: Psi -39.9 +/- 4.5 )" 293 1 293 63 parsed_2jrb 1
59 "I79 (TALOS: Phi -71.3 +/- 9.8 , TALOS: Psi -38.6 +/- 6.1 )" 298 1 298 63 parsed_2jrb 1
60 "K83 (TALOS: Phi -74.9 +/- 16.4 , TALOS: Psi 131.0 +/- 16.7 )" 303 1 303 63 parsed_2jrb 1
61 "Y86 (TALOS: Phi -96.9 +/- 26.7 , TALOS: Psi 116.4 +/- 18.2 )" 308 1 308 63 parsed_2jrb 1
62 "D88 (TALOS: Phi -72.4 +/- 18.9 , TALOS: Psi 141.9 +/- 13.7 )" 313 1 313 63 parsed_2jrb 1
63
;
Chi angle restraints, from TOCSY, etc.
F16 (-60)
;
319 1 321 11 parsed_2jrb 1
64 "S17 (-60 or +60)" 324 1 324 18 parsed_2jrb 1
65 "M21 (180)" 327 1 327 11 parsed_2jrb 1
66 "F60 (-60 or +60)" 330 1 330 18 parsed_2jrb 1
67 "K63 (-60 or +60)" 333 1 333 19 parsed_2jrb 1
68 "K65 (180)" 336 1 336 12 parsed_2jrb 1
69 "L73 (180)" 339 1 339 11 parsed_2jrb 1
70 "inserted based on brctCCO and HNHB and TOCSY expts." 343 1 343 53 parsed_2jrb 1
stop_
save_