NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | item_count |
|
|
29591 |
1b3c   |
4279 | cing | recoord | 2-parsed | STAR | dihedral angle | 110 |
data_1b3c_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1b3c
_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_1b3c 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1b3c
_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 1b3c "Master copy" parsed_1b3c
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1b3c
_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 1b3c.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1b3c 1
1 1b3c.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 110 parsed_1b3c 1
1 1b3c.mr . . XPLOR/CNS 3 distance NOE simple 0 parsed_1b3c 1
1 1b3c.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 0 parsed_1b3c 1
1 1b3c.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1b3c 1
stop_
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1b3c
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 200.0 . . 1 . n . 1 . ca . 1 . c . 2 . n parsed_1b3c 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 1 . c . 2 . n . 2 . ca . 2 . c parsed_1b3c 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 200.0 . . 2 . n . 2 . ca . 2 . c . 3 . n parsed_1b3c 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 2 . c . 3 . n . 3 . ca . 3 . c parsed_1b3c 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 200.0 . . 3 . n . 3 . ca . 3 . c . 4 . n parsed_1b3c 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 3 . c . 4 . n . 4 . ca . 4 . c parsed_1b3c 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 200.0 . . 4 . n . 4 . ca . 4 . c . 5 . n parsed_1b3c 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 5 . c . 6 . n . 6 . ca . 6 . c parsed_1b3c 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 200.0 . . 6 . n . 6 . ca . 6 . c . 7 . n parsed_1b3c 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 6 . c . 7 . n . 7 . ca . 7 . c parsed_1b3c 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 200.0 . . 7 . n . 7 . ca . 7 . c . 8 . n parsed_1b3c 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 7 . c . 8 . n . 8 . ca . 8 . c parsed_1b3c 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 8 . c . 9 . n . 9 . ca . 9 . c parsed_1b3c 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -50.0 . . 10 . c . 11 . n . 11 . ca . 11 . c parsed_1b3c 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 200.0 . . 11 . n . 11 . ca . 11 . c . 12 . n parsed_1b3c 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 11 . c . 12 . n . 12 . ca . 12 . c parsed_1b3c 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 200.0 . . 12 . n . 12 . ca . 12 . c . 13 . n parsed_1b3c 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 12 . c . 13 . n . 13 . ca . 13 . c parsed_1b3c 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 200.0 . . 13 . n . 13 . ca . 13 . c . 14 . n parsed_1b3c 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 13 . c . 14 . n . 14 . ca . 14 . c parsed_1b3c 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 200.0 . . 14 . n . 14 . ca . 14 . c . 15 . n parsed_1b3c 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 14 . c . 15 . n . 15 . ca . 15 . c parsed_1b3c 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 15 . c . 16 . n . 16 . ca . 16 . c parsed_1b3c 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 16 . c . 17 . n . 17 . ca . 17 . c parsed_1b3c 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 200.0 . . 17 . n . 17 . ca . 17 . c . 18 . n parsed_1b3c 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 17 . c . 18 . n . 18 . ca . 18 . c parsed_1b3c 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 200.0 . . 18 . n . 18 . ca . 18 . c . 19 . n parsed_1b3c 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 20 . c . 21 . n . 21 . ca . 21 . c parsed_1b3c 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 21 . c . 22 . n . 22 . ca . 22 . c parsed_1b3c 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 22 . c . 23 . n . 23 . ca . 23 . c parsed_1b3c 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 23 . c . 24 . n . 24 . ca . 24 . c parsed_1b3c 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 24 . c . 25 . n . 25 . ca . 25 . c parsed_1b3c 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 25 . c . 26 . n . 26 . ca . 26 . c parsed_1b3c 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 26 . c . 27 . n . 27 . ca . 27 . c parsed_1b3c 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 27 . c . 28 . n . 28 . ca . 28 . c parsed_1b3c 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -40.0 . . 28 . c . 29 . n . 29 . ca . 29 . c parsed_1b3c 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 32 . c . 33 . n . 33 . ca . 33 . c parsed_1b3c 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 200.0 . . 35 . n . 35 . ca . 35 . c . 36 . n parsed_1b3c 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 35 . c . 36 . n . 36 . ca . 36 . c parsed_1b3c 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 36 . c . 37 . n . 37 . ca . 37 . c parsed_1b3c 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 37 . c . 38 . n . 38 . ca . 38 . c parsed_1b3c 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 200.0 . . 39 . n . 39 . ca . 39 . c . 40 . n parsed_1b3c 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 39 . c . 40 . n . 40 . ca . 40 . c parsed_1b3c 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 200.0 . . 40 . n . 40 . ca . 40 . c . 41 . n parsed_1b3c 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 40 . c . 41 . n . 41 . ca . 41 . c parsed_1b3c 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 44 . c . 45 . n . 45 . ca . 45 . c parsed_1b3c 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 200.0 . . 45 . n . 45 . ca . 45 . c . 46 . n parsed_1b3c 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 45 . c . 46 . n . 46 . ca . 46 . c parsed_1b3c 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 200.0 . . 46 . n . 46 . ca . 46 . c . 47 . n parsed_1b3c 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 46 . c . 47 . n . 47 . ca . 47 . c parsed_1b3c 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 200.0 . . 47 . n . 47 . ca . 47 . c . 48 . n parsed_1b3c 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 47 . c . 48 . n . 48 . ca . 48 . c parsed_1b3c 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 200.0 . . 48 . n . 48 . ca . 48 . c . 49 . n parsed_1b3c 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 49 . c . 50 . n . 50 . ca . 50 . c parsed_1b3c 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 200.0 . . 51 . n . 51 . ca . 51 . c . 52 . n parsed_1b3c 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 51 . c . 52 . n . 52 . ca . 52 . c parsed_1b3c 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 52 . c . 53 . n . 53 . ca . 53 . c parsed_1b3c 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 53 . c . 54 . n . 54 . ca . 54 . c parsed_1b3c 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 200.0 . . 54 . n . 54 . ca . 54 . c . 55 . n parsed_1b3c 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 54 . c . 55 . n . 55 . ca . 55 . c parsed_1b3c 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 200.0 . . 55 . n . 55 . ca . 55 . c . 56 . n parsed_1b3c 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 55 . c . 56 . n . 56 . ca . 56 . c parsed_1b3c 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 200.0 . . 56 . n . 56 . ca . 56 . c . 57 . n parsed_1b3c 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 56 . c . 57 . n . 57 . ca . 57 . c parsed_1b3c 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 200.0 . . 57 . n . 57 . ca . 57 . c . 58 . n parsed_1b3c 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 200.0 . . 58 . n . 58 . ca . 58 . c . 59 . n parsed_1b3c 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.0 -30.0 . . 58 . c . 59 . n . 59 . ca . 59 . c parsed_1b3c 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 200.0 . . 59 . n . 59 . ca . 59 . c . 60 . n parsed_1b3c 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 200.0 . . 60 . n . 60 . ca . 60 . c . 61 . n parsed_1b3c 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.0 -30.0 . . 60 . c . 61 . n . 61 . ca . 61 . c parsed_1b3c 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -60.0 . . 61 . c . 62 . n . 62 . ca . 62 . c parsed_1b3c 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 200.0 . . 62 . n . 62 . ca . 62 . c . 63 . n parsed_1b3c 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -60.0 . . 62 . c . 63 . n . 63 . ca . 63 . c parsed_1b3c 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 200.0 . . 63 . n . 63 . ca . 63 . c . 64 . n parsed_1b3c 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 2 . n . 2 . ca . 2 . cb . 2 . cg parsed_1b3c 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 4 . n . 4 . ca . 4 . cb . 4 . cg parsed_1b3c 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 5 . n . 5 . ca . 5 . cb . 5 . cg parsed_1b3c 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . 5 . ca . 5 . cb . 5 . cg . 5 . cd1 parsed_1b3c 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . 6 . n . 6 . ca . 6 . cb . 6 . hb parsed_1b3c 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 9 . n . 9 . ca . 9 . cb . 9 . cg2 parsed_1b3c 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 11 . n . 11 . ca . 11 . cb . 11 . sg parsed_1b3c 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . 14 . n . 14 . ca . 14 . cb . 14 . cg2 parsed_1b3c 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 120.0 . . 15 . n . 15 . ca . 15 . cb . 15 . sg parsed_1b3c 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 16 . n . 16 . ca . 16 . cb . 16 . cg parsed_1b3c 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 18 . n . 18 . ca . 18 . cb . 18 . cg parsed_1b3c 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . 18 . ca . 18 . cb . 18 . cg . 18 . cd1 parsed_1b3c 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . 21 . n . 21 . ca . 21 . cb . 21 . cg parsed_1b3c 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240 0 . . 22 . n . 22 . ca . 22 . cb . 22 . cg parsed_1b3c 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . 23 . n . 23 . ca . 23 . cb . 23 . cg parsed_1b3c 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 24 . n . 24 . ca . 24 . cb . 24 . sg parsed_1b3c 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . 28 . n . 28 . ca . 28 . cb . 28 . sg parsed_1b3c 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 120.0 . . 36 . n . 36 . ca . 36 . cb . 36 . og parsed_1b3c 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . 37 . n . 37 . ca . 37 . cb . 37 . cg parsed_1b3c 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 120.0 . . 39 . n . 39 . ca . 39 . cb . 39 . cg parsed_1b3c 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . 40 . n . 40 . ca . 40 . cb . 40 . sg parsed_1b3c 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . 41 . n . 41 . ca . 41 . cb . 41 . cg parsed_1b3c 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 43 . n . 43 . ca . 43 . cb . 43 . cg parsed_1b3c 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 45 . n . 45 . ca . 45 . cb . 45 . sg parsed_1b3c 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . 46 . n . 46 . ca . 46 . cb . 46 . cg parsed_1b3c 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 47 . n . 47 . ca . 47 . cb . 47 . sg parsed_1b3c 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 60.0 . . 50 . n . 50 . ca . 50 . cb . 50 . cg parsed_1b3c 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 0 . . 52 . n . 52 . ca . 52 . cb . 52 . cg parsed_1b3c 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 53 . n . 53 . ca . 53 . cb . 53 . og parsed_1b3c 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . 54 . n . 54 . ca . 54 . cb . 54 . cg2 parsed_1b3c 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . 14 . n . 14 . ca . 14 . cb . 14 . cg2 parsed_1b3c 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . 57 . n . 57 . ca . 57 . cb . 57 . cg parsed_1b3c 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . 64 . n . 64 . ca . 64 . cb . 64 . sg parsed_1b3c 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175.0 185.0 . . 50 . ca . 50 . c . 51 . n . 51 . ca parsed_1b3c 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5.0 5.0 . . 57 . ca . 57 . c . 58 . n . 58 . ca parsed_1b3c 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175.0 185.0 . . 59 . ca . 59 . c . 60 . n . 60 . ca parsed_1b3c 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
;
! Constraints
! LYS-1
;
1 1 2 9 parsed_1b3c 1
2 "! ASP-2" 5 1 5 9 parsed_1b3c 1
3 "! GLY-3" 10 1 10 9 parsed_1b3c 1
4 "! TYR-4" 15 1 15 9 parsed_1b3c 1
5 "! VAL-6" 20 1 20 9 parsed_1b3c 1
6 "! GLU-7" 25 1 25 9 parsed_1b3c 1
7 "! LYS-8" 30 1 30 9 parsed_1b3c 1
8 "! THR-9" 33 1 33 9 parsed_1b3c 1
9 "! CYS-11" 36 1 36 10 parsed_1b3c 1
10 "! LYS-12" 41 1 41 11 parsed_1b3c 1
11 "! LYS-13" 46 1 46 10 parsed_1b3c 1
12 "! THR-14" 51 1 51 10 parsed_1b3c 1
13 "! C15, code #27, J=9.64)" 56 1 56 26 parsed_1b3c 1
14 "! TYR-16, code #16, J=10.0)" 59 1 59 29 parsed_1b3c 1
15 "! LYS-17" 62 1 62 10 parsed_1b3c 1
16 "! LEU-18" 67 1 67 10 parsed_1b3c 1
17 "! ASN-21" 72 1 72 10 parsed_1b3c 1
18 "! ASP-22" 75 1 75 10 parsed_1b3c 1
19 "! PHE-23" 78 1 78 10 parsed_1b3c 1
20 "! CYS-24" 81 1 81 10 parsed_1b3c 1
21 "! ASN-25" 84 1 84 11 parsed_1b3c 1
22 "! ARG-26" 87 1 87 10 parsed_1b3c 1
23 "! GLU-27" 90 1 90 10 parsed_1b3c 1
24 "! CYS-28" 93 1 93 10 parsed_1b3c 1
25 "! #18 (K29, code #41, J=9.3)" 96 1 96 30 parsed_1b3c 1
26 "! #21 (I33, code #40, J=11.8)" 99 1 99 31 parsed_1b3c 1
27 "! GLY-35" 102 1 102 10 parsed_1b3c 1
28 "! #22 (S36, code #19, J=7.0)" 105 1 105 30 parsed_1b3c 1
29 "! #23 (Y37, code #13, J=8.0)" 108 1 108 30 parsed_1b3c 1
30 "! GLY-38" 111 1 111 10 parsed_1b3c 1
31 "! Tyr-39" 114 1 114 10 parsed_1b3c 1
32 "! #24 (C40, code #4, J=9.3)" 117 1 117 29 parsed_1b3c 1
33 "! #25 (Y41, code #7, J=9.4)" 122 1 122 29 parsed_1b3c 1
34 "! #27 (C45, code #62, J=10.)" 125 1 125 30 parsed_1b3c 1
35 "! #28 (Y46, code #32, J=14)" 130 1 130 29 parsed_1b3c 1
36 "! #29 (C47, code #2, J=11.0)" 135 1 135 30 parsed_1b3c 1
37 "! #30 (E48, code #11, J=12)" 140 1 140 29 parsed_1b3c 1
38 "! #31 (L50, code #34, J=8.4)" 145 1 145 30 parsed_1b3c 1
39 "! PRO 51" 148 1 148 10 parsed_1b3c 1
40 "! #32 (D52)" 151 1 151 13 parsed_1b3c 1
41 "! #32 (S53, code #39, J=7.5)" 154 1 154 30 parsed_1b3c 1
42 "! #33 (T54, code #52, J=6.5)" 157 1 157 30 parsed_1b3c 1
43 "! Q55, code #33, J=8.0)" 162 1 162 25 parsed_1b3c 1
44 "! T56, code #15, J=11.8)" 167 1 167 26 parsed_1b3c 1
45 !TRP-57 172 1 172 9 parsed_1b3c 1
46 "! PRO-58" 177 1 177 10 parsed_1b3c 1
47 "! L59" 180 1 180 8 parsed_1b3c 1
48 "! PRO-60" 185 1 185 10 parsed_1b3c 1
49 "! ASN-61, code #21, J=7.0)" 188 1 188 28 parsed_1b3c 1
50
;
! assign ( resid 61 and name n ) ( resid 61 and name ca)
! ( resid 61 and name c ) ( resid 62 and name n ) 1.0 120.0 80.0 2
! #36 (K62, code #22, J=8.63)
;
191 1 193 31 parsed_1b3c 1
51 "! #37 (T63, code #29, J=9.0)" 198 1 198 30 parsed_1b3c 1
52 "! D2 t2g3" 203 1 203 11 parsed_1b3c 1
53 "! Y4 g2t3 uf=b1 02oct98 t2g3" 206 1 206 30 parsed_1b3c 1
54 "! Leu-5 x1=-60, x2=180" 209 1 209 24 parsed_1b3c 1
55 "! Leu-5" 212 1 212 9 parsed_1b3c 1
56 "! Val-6 29sep98 g-" 215 1 215 21 parsed_1b3c 1
57 "! Thr-9" 218 1 218 9 parsed_1b3c 1
58 "! C11 ( B1 upfield) g2t3" 221 1 221 26 parsed_1b3c 1
59 "! Thr-14" 224 1 224 10 parsed_1b3c 1
60 "! C15 (B2 downfield t2g3)" 227 1 227 28 parsed_1b3c 1
61 "! Y16 ( B1 upfield) t2g3" 230 1 230 28 parsed_1b3c 1
62 "! Leu-18 x1=-60, x2=180" 233 1 233 25 parsed_1b3c 1
63 "! Leu-18" 236 1 236 10 parsed_1b3c 1
64 "! N21 (uf large cc)" 239 1 239 21 parsed_1b3c 1
65 "! D22 (upfield large cc)" 242 1 242 29 parsed_1b3c 1
66 "! F23 (B1 downfield) g2t3" 245 1 245 29 parsed_1b3c 1
67 "! C24 (overlap N25)" 248 1 248 21 parsed_1b3c 1
68 "! C28 (df large cc) 13nov98 g2t3" 251 1 251 34 parsed_1b3c 1
69 "!S36 () g2g3" 254 1 254 14 parsed_1b3c 1
70 "! Y37 (uf = 10Hz)" 257 1 257 19 parsed_1b3c 1
71 "!Y39 g2g3" 260 1 260 12 parsed_1b3c 1
72 "! C40 (df large cc)" 263 1 263 22 parsed_1b3c 1
73 "!#53 Y41 (code # 7, B1 downfield) g2t3" 266 1 266 41 parsed_1b3c 1
74 "! F43 (uf large cc)" 269 1 269 21 parsed_1b3c 1
75 "! C45( B1 upfield) g2t3" 272 1 272 27 parsed_1b3c 1
76 "! Y46(B1 upfield)" 275 1 275 20 parsed_1b3c 1
77 "! C47 (b2= upfield) t2g3" 278 1 278 28 parsed_1b3c 1
78 "! L50 t2g3 df=b2" 281 1 281 18 parsed_1b3c 1
79 "! D52 uf=9Hz" 284 1 284 15 parsed_1b3c 1
80 "! S53 t2g3" 287 1 287 14 parsed_1b3c 1
81 "! Thr-54" 290 1 290 10 parsed_1b3c 1
82 "! Thr-56" 293 1 293 10 parsed_1b3c 1
83 "! W57 (B1 downfield) g2t3" 296 1 296 28 parsed_1b3c 1
84 "! C64 (B1 downfield) g2t3" 299 1 299 28 parsed_1b3c 1
85
;
! Proline omega angles; Pro 58 is cis .
!#61 PRO 51
;
302 1 303 13 parsed_1b3c 1
86 "!#62 PRO 58" 306 1 306 13 parsed_1b3c 1
87 "!#63 PRO 60" 309 1 309 13 parsed_1b3c 1
stop_
save_
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