NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | program | type | item_count |
|
|
30393 |
1ck2   |
4339 | cing | recoord | dress | 2-parsed | STAR | dihedral angle | 139 |
data_1ck2_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1ck2
_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_1ck2 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1ck2
_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 1ck2 "Master copy" parsed_1ck2
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1ck2
_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 1ck2.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1ck2 1
1 1ck2.mr . . XPLOR/CNS 2 distance NOE simple 1418 parsed_1ck2 1
1 1ck2.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 parsed_1ck2 1
1 1ck2.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 62 parsed_1ck2 1
1 1ck2.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1ck2 1
1 1ck2.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 139 parsed_1ck2 1
1 1ck2.mr . . n/a 7 comment "Not applicable" "Not applicable" 0 parsed_1ck2 1
1 1ck2.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1ck2 1
stop_
save_
save_CNS/XPLOR_dihedral_6
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1ck2
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -60.0 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_1ck2 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -60.0 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_1ck2 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -60.0 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_1ck2 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -60.0 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_1ck2 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -60.0 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_1ck2 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_1ck2 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_1ck2 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_1ck2 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_1ck2 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_1ck2 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_1ck2 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_1ck2 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_1ck2 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_1ck2 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_1ck2 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_1ck2 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_1ck2 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_1ck2 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_1ck2 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_1ck2 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_1ck2 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_1ck2 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 27 . C . 28 . N . 28 . CA . 28 . C parsed_1ck2 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_1ck2 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 29 . C . 30 . N . 30 . CA . 30 . C parsed_1ck2 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_1ck2 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 31 . C . 32 . N . 32 . CA . 32 . C parsed_1ck2 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 32 . C . 33 . N . 33 . CA . 33 . C parsed_1ck2 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 33 . C . 34 . N . 34 . CA . 34 . C parsed_1ck2 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 34 . C . 35 . N . 35 . CA . 35 . C parsed_1ck2 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.0 -54.0 . . 35 . C . 36 . N . 36 . CA . 36 . C parsed_1ck2 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -40.0 . . 37 . C . 38 . N . 38 . CA . 38 . C parsed_1ck2 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.0 -49.0 . . 38 . C . 39 . N . 39 . CA . 39 . C parsed_1ck2 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 39 . C . 40 . N . 40 . CA . 40 . C parsed_1ck2 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 40 . C . 41 . N . 41 . CA . 41 . C parsed_1ck2 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 41 . C . 42 . N . 42 . CA . 42 . C parsed_1ck2 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 42 . C . 43 . N . 43 . CA . 43 . C parsed_1ck2 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 43 . C . 44 . N . 44 . CA . 44 . C parsed_1ck2 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 44 . C . 45 . N . 45 . CA . 45 . C parsed_1ck2 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 45 . C . 46 . N . 46 . CA . 46 . C parsed_1ck2 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -60.0 . . 46 . C . 47 . N . 47 . CA . 47 . C parsed_1ck2 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -60.0 . . 47 . C . 48 . N . 48 . CA . 48 . C parsed_1ck2 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 49 . C . 50 . N . 50 . CA . 50 . C parsed_1ck2 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 50 . C . 51 . N . 51 . CA . 51 . C parsed_1ck2 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 51 . C . 52 . N . 52 . CA . 52 . C parsed_1ck2 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 52 . C . 53 . N . 53 . CA . 53 . C parsed_1ck2 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 53 . C . 54 . N . 54 . CA . 54 . C parsed_1ck2 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 54 . C . 55 . N . 55 . CA . 55 . C parsed_1ck2 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 55 . C . 56 . N . 56 . CA . 56 . C parsed_1ck2 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 56 . C . 57 . N . 57 . CA . 57 . C parsed_1ck2 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 57 . C . 58 . N . 58 . CA . 58 . C parsed_1ck2 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 58 . C . 59 . N . 59 . CA . 59 . C parsed_1ck2 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 59 . C . 60 . N . 60 . CA . 60 . C parsed_1ck2 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 60 . C . 61 . N . 61 . CA . 61 . C parsed_1ck2 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 61 . C . 62 . N . 62 . CA . 62 . C parsed_1ck2 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -60.0 . . 62 . C . 63 . N . 63 . CA . 63 . C parsed_1ck2 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 65 . C . 66 . N . 66 . CA . 66 . C parsed_1ck2 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 66 . C . 67 . N . 67 . CA . 67 . C parsed_1ck2 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 67 . C . 68 . N . 68 . CA . 68 . C parsed_1ck2 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 68 . C . 69 . N . 69 . CA . 69 . C parsed_1ck2 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 69 . C . 70 . N . 70 . CA . 70 . C parsed_1ck2 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -60.0 . . 70 . C . 71 . N . 71 . CA . 71 . C parsed_1ck2 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 71 . C . 72 . N . 72 . CA . 72 . C parsed_1ck2 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 79 . C . 80 . N . 80 . CA . 80 . C parsed_1ck2 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 88 . C . 89 . N . 89 . CA . 89 . C parsed_1ck2 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 90 . C . 91 . N . 91 . CA . 91 . C parsed_1ck2 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 91 . C . 92 . N . 92 . CA . 92 . C parsed_1ck2 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 92 . C . 93 . N . 93 . CA . 93 . C parsed_1ck2 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 93 . C . 94 . N . 94 . CA . 94 . C parsed_1ck2 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -60.0 . . 94 . C . 95 . N . 95 . CA . 95 . C parsed_1ck2 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -60.0 . . 95 . C . 96 . N . 96 . CA . 96 . C parsed_1ck2 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 96 . C . 97 . N . 97 . CA . 97 . C parsed_1ck2 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -60.0 . . 97 . C . 98 . N . 98 . CA . 98 . C parsed_1ck2 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 98 . C . 99 . N . 99 . CA . 99 . C parsed_1ck2 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -60.0 . . 99 . C . 100 . N . 100 . CA . 100 . C parsed_1ck2 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -60.0 . . 100 . C . 101 . N . 101 . CA . 101 . C parsed_1ck2 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -60.0 . . 101 . C . 102 . N . 102 . CA . 102 . C parsed_1ck2 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -60.0 . . 102 . C . 103 . N . 103 . CA . 103 . C parsed_1ck2 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -60.0 . . 103 . C . 104 . N . 104 . CA . 104 . C parsed_1ck2 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -60.0 . . 104 . C . 105 . N . 105 . CA . 105 . C parsed_1ck2 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 10 . N . 10 . CA . 10 . CB . 10 . CG1 parsed_1ck2 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 12 . N . 12 . CA . 12 . CB . 12 . CG parsed_1ck2 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 13 . N . 13 . CA . 13 . CB . 13 . CG parsed_1ck2 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 14 . N . 14 . CA . 14 . CB . 14 . CG parsed_1ck2 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 16 . N . 16 . CA . 16 . CB . 16 . CG parsed_1ck2 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 17 . N . 17 . CA . 17 . CB . 17 . CG1 parsed_1ck2 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 18 . N . 18 . CA . 18 . CB . 18 . CG1 parsed_1ck2 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 85.0 . . 20 . N . 20 . CA . 20 . CB . 20 . OG parsed_1ck2 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 22 . N . 22 . CA . 22 . CB . 22 . CG parsed_1ck2 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 85.0 . . 23 . N . 23 . CA . 23 . CB . 23 . CG parsed_1ck2 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 24 . N . 24 . CA . 24 . CB . 24 . OG1 parsed_1ck2 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 25 . N . 25 . CA . 25 . CB . 25 . CG parsed_1ck2 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 27 . N . 27 . CA . 27 . CB . 27 . CG parsed_1ck2 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 28 . N . 28 . CA . 28 . CB . 28 . CG parsed_1ck2 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 30 . N . 30 . CA . 30 . CB . 30 . OG1 parsed_1ck2 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 31 . N . 31 . CA . 31 . CB . 31 . CG1 parsed_1ck2 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 32 . N . 32 . CA . 32 . CB . 32 . CG parsed_1ck2 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 33 . N . 33 . CA . 33 . CB . 33 . OG parsed_1ck2 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 34 . N . 34 . CA . 34 . CB . 34 . CG parsed_1ck2 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 35 . N . 35 . CA . 35 . CB . 35 . CG parsed_1ck2 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 36 . N . 36 . CA . 36 . CB . 36 . CG parsed_1ck2 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 85.0 . . 39 . N . 39 . CA . 39 . CB . 39 . OG parsed_1ck2 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 40 . N . 40 . CA . 40 . CB . 40 . CG parsed_1ck2 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 41 . N . 41 . CA . 41 . CB . 41 . CG parsed_1ck2 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 85.0 . . 42 . N . 42 . CA . 42 . CB . 42 . CG1 parsed_1ck2 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 43 . N . 43 . CA . 43 . CB . 43 . CG1 parsed_1ck2 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 44 . N . 44 . CA . 44 . CB . 44 . CG1 parsed_1ck2 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 48 . N . 48 . CA . 48 . CB . 48 . OG1 parsed_1ck2 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 210.0 . . 50 . N . 50 . CA . 50 . CB . 50 . CG1 parsed_1ck2 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 51 . N . 51 . CA . 51 . CB . 51 . CG parsed_1ck2 1
111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 52 . N . 52 . CA . 52 . CB . 52 . CG parsed_1ck2 1
112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 85.0 . . 53 . N . 53 . CA . 53 . CB . 53 . CG parsed_1ck2 1
113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 56 . N . 56 . CA . 56 . CB . 56 . CG parsed_1ck2 1
114 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 57 . N . 57 . CA . 57 . CB . 57 . CG parsed_1ck2 1
115 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 58 . N . 58 . CA . 58 . CB . 58 . CG parsed_1ck2 1
116 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 59 . N . 59 . CA . 59 . CB . 59 . CG parsed_1ck2 1
117 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 61 . N . 61 . CA . 61 . CB . 61 . CG parsed_1ck2 1
118 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 62 . N . 62 . CA . 62 . CB . 62 . CG parsed_1ck2 1
119 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 85.0 . . 63 . N . 63 . CA . 63 . CB . 63 . OG parsed_1ck2 1
120 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 64 . N . 64 . CA . 64 . CB . 64 . CG parsed_1ck2 1
121 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 65 . N . 65 . CA . 65 . CB . 65 . OG1 parsed_1ck2 1
122 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 66 . N . 66 . CA . 66 . CB . 66 . CG parsed_1ck2 1
123 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 67 . N . 67 . CA . 67 . CB . 67 . CG1 parsed_1ck2 1
124 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 68 . N . 68 . CA . 68 . CB . 68 . CG parsed_1ck2 1
125 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 69 . N . 69 . CA . 69 . CB . 69 . CG parsed_1ck2 1
126 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 70 . N . 70 . CA . 70 . CB . 70 . CG parsed_1ck2 1
127 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 79 . N . 79 . CA . 79 . CB . 79 . OG1 parsed_1ck2 1
128 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 81 . N . 81 . CA . 81 . CB . 81 . CG1 parsed_1ck2 1
129 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 85.0 . . 89 . N . 89 . CA . 89 . CB . 89 . CG1 parsed_1ck2 1
130 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 90 . N . 90 . CA . 90 . CB . 90 . CG1 parsed_1ck2 1
131 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 91 . N . 91 . CA . 91 . CB . 91 . OG parsed_1ck2 1
132 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 92 . N . 92 . CA . 92 . CB . 92 . CG1 parsed_1ck2 1
133 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 93 . N . 93 . CA . 93 . CB . 93 . CG parsed_1ck2 1
134 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 94 . N . 94 . CA . 94 . CB . 94 . CG parsed_1ck2 1
135 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 97 . N . 97 . CA . 97 . CB . 97 . CG parsed_1ck2 1
136 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 98 . N . 98 . CA . 98 . CB . 98 . OG parsed_1ck2 1
137 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 85.0 . . 99 . N . 99 . CA . 99 . CB . 99 . CG parsed_1ck2 1
138 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 100 . N . 100 . CA . 100 . CB . 100 . CG1 parsed_1ck2 1
139 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 85.0 . . 101 . N . 101 . CA . 101 . CB . 101 . CG parsed_1ck2 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
;
backbone phi dihedral angles derived from HNHA experiment
% VAL 4
;
1 1 2 16 parsed_1ck2 1
2 "% LYS 5" 5 1 5 16 parsed_1ck2 1
3 "% SER 6" 8 1 8 16 parsed_1ck2 1
4 "% GLN 7" 11 1 11 16 parsed_1ck2 1
5 "% GLU 8" 14 1 14 16 parsed_1ck2 1
6 "% SER 9" 17 1 17 16 parsed_1ck2 1
7 "% ILE 10" 20 1 20 17 parsed_1ck2 1
8 "% ASN 11" 23 1 23 17 parsed_1ck2 1
9 "% GLN 12" 26 1 26 17 parsed_1ck2 1
10 "% LYS 13" 29 1 29 17 parsed_1ck2 1
11 "% LEU 14" 32 1 32 17 parsed_1ck2 1
12 "% ALA 15" 35 1 35 17 parsed_1ck2 1
13 "% LEU 16" 38 1 38 17 parsed_1ck2 1
14 "% VAL 17" 41 1 41 17 parsed_1ck2 1
15 "% ILE 18" 44 1 44 17 parsed_1ck2 1
16 "% LYS 19" 47 1 47 17 parsed_1ck2 1
17 "% SER 20" 50 1 50 17 parsed_1ck2 1
18 "% GLY 21" 53 1 53 17 parsed_1ck2 1
19 "% LYS 22" 56 1 56 17 parsed_1ck2 1
20 "% TYR 23" 59 1 59 17 parsed_1ck2 1
21 "% THR 24" 62 1 62 17 parsed_1ck2 1
22 "% LEU 25" 65 1 65 17 parsed_1ck2 1
23 "% LYS 28" 68 1 68 17 parsed_1ck2 1
24 "% SER 29" 71 1 71 17 parsed_1ck2 1
25 "% THR 30" 74 1 74 17 parsed_1ck2 1
26 "% VAL 31" 77 1 77 17 parsed_1ck2 1
27 "% LYS 32" 80 1 80 17 parsed_1ck2 1
28 "% SER 33" 83 1 83 17 parsed_1ck2 1
29 "% LEU 34" 86 1 86 17 parsed_1ck2 1
30 "% ARG 35" 89 1 89 17 parsed_1ck2 1
31 "% GLN 36" 92 1 92 17 parsed_1ck2 1
32 "% LYS 38" 95 1 95 17 parsed_1ck2 1
33 "% SER 39" 98 1 98 17 parsed_1ck2 1
34 "% LYS 40" 101 1 101 17 parsed_1ck2 1
35 "% LEU 41" 104 1 104 17 parsed_1ck2 1
36 "% ILE 42" 107 1 107 17 parsed_1ck2 1
37 "% ILE 43" 110 1 110 17 parsed_1ck2 1
38 "% ILE 44" 113 1 113 17 parsed_1ck2 1
39 "% ALA 45" 116 1 116 17 parsed_1ck2 1
40 "% ALA 46" 119 1 119 17 parsed_1ck2 1
41 "% ASN 47" 122 1 122 17 parsed_1ck2 1
42 "% THR 48" 125 1 125 17 parsed_1ck2 1
43 "% VAL 50" 128 1 128 17 parsed_1ck2 1
44 "% LEU 51" 131 1 131 17 parsed_1ck2 1
45 "% ARG 52" 134 1 134 17 parsed_1ck2 1
46 "% LYS 53" 137 1 137 17 parsed_1ck2 1
47 "% SER 54" 140 1 140 17 parsed_1ck2 1
48 "% GLU 55" 143 1 143 17 parsed_1ck2 1
49 "% LEU 56" 146 1 146 17 parsed_1ck2 1
50 "% GLU 57" 149 1 149 17 parsed_1ck2 1
51 "% TYR 58" 152 1 152 17 parsed_1ck2 1
52 "% TYR 59" 155 1 155 17 parsed_1ck2 1
53 "% ALA 60" 158 1 158 17 parsed_1ck2 1
54 "% MET 61" 161 1 161 17 parsed_1ck2 1
55 "% LEU 62" 164 1 164 17 parsed_1ck2 1
56 "% SER 63" 167 1 167 17 parsed_1ck2 1
57 "% LYS 66" 170 1 170 17 parsed_1ck2 1
58 "% VAL 67" 173 1 173 17 parsed_1ck2 1
59 "% TYR 68" 176 1 176 17 parsed_1ck2 1
60 "% TYR 69" 179 1 179 17 parsed_1ck2 1
61 "% PHE 70" 182 1 182 17 parsed_1ck2 1
62 "% GLN 71" 185 1 185 17 parsed_1ck2 1
63 "% GLY 72" 188 1 188 17 parsed_1ck2 1
64 "% ALA 80" 191 1 191 17 parsed_1ck2 1
65 "% VAL 89" 194 1 194 17 parsed_1ck2 1
66 "% SER 91" 197 1 197 17 parsed_1ck2 1
67 "% ILE 92" 200 1 200 17 parsed_1ck2 1
68 "% LEU 93" 203 1 203 17 parsed_1ck2 1
69 "% GLU 94" 206 1 206 17 parsed_1ck2 1
70 "% ALA 95" 209 1 209 17 parsed_1ck2 1
71 "% GLY 96" 212 1 212 17 parsed_1ck2 1
72 "% ASP 97" 215 1 215 17 parsed_1ck2 1
73 "% SER 98" 218 1 218 17 parsed_1ck2 1
74 "% ASP 99" 221 1 221 17 parsed_1ck2 1
75 "% ILE 100" 224 1 224 18 parsed_1ck2 1
76 "% LEU 101" 227 1 227 18 parsed_1ck2 1
77 "% THR 102" 230 1 230 18 parsed_1ck2 1
78 "% THR 103" 233 1 233 18 parsed_1ck2 1
79 "% LEU 104" 236 1 236 18 parsed_1ck2 1
80 "% ALA 105" 239 1 239 18 parsed_1ck2 1
81
;
chi angles from stereospecific assignment
% ILE 10
;
243 1 244 17 parsed_1ck2 1
82 "% GLN 12" 247 1 247 17 parsed_1ck2 1
83 "% LYS 13" 250 1 250 17 parsed_1ck2 1
84 "% LEU 14" 253 1 253 17 parsed_1ck2 1
85 "% LEU 16" 256 1 256 17 parsed_1ck2 1
86 "% VAL 17" 259 1 259 17 parsed_1ck2 1
87 "% ILE 18" 262 1 262 17 parsed_1ck2 1
88 "% SER 20" 265 1 265 17 parsed_1ck2 1
89 "% LYS 22" 268 1 268 17 parsed_1ck2 1
90 "% TYR 23" 271 1 271 17 parsed_1ck2 1
91 "% THR 24" 274 1 274 17 parsed_1ck2 1
92 "% LEU 25" 277 1 277 17 parsed_1ck2 1
93 "% TYR 27" 280 1 280 17 parsed_1ck2 1
94 "% LYS 28" 283 1 283 17 parsed_1ck2 1
95 "% THR 30" 286 1 286 17 parsed_1ck2 1
96 "% VAL 31" 289 1 289 17 parsed_1ck2 1
97 "% LYS 32" 292 1 292 17 parsed_1ck2 1
98 "% SER 33" 295 1 295 17 parsed_1ck2 1
99 "% LEU 34" 298 1 298 17 parsed_1ck2 1
100 "% ARG 35" 301 1 301 17 parsed_1ck2 1
101 "% GLN 36" 304 1 304 17 parsed_1ck2 1
102 "% SER 39" 307 1 307 17 parsed_1ck2 1
103 "% LYS 40" 310 1 310 17 parsed_1ck2 1
104 "% LEU 41" 313 1 313 17 parsed_1ck2 1
105 "% ILE 42" 316 1 316 17 parsed_1ck2 1
106 "% ILE 43" 319 1 319 17 parsed_1ck2 1
107 "% ILE 44" 322 1 322 17 parsed_1ck2 1
108 "% THR 48" 325 1 325 17 parsed_1ck2 1
109 "% VAL 50" 328 1 328 17 parsed_1ck2 1
110 "% LEU 51" 331 1 331 17 parsed_1ck2 1
111 "% ARG 52" 334 1 334 17 parsed_1ck2 1
112 "% LYS 53" 337 1 337 17 parsed_1ck2 1
113 "% LEU 56" 340 1 340 17 parsed_1ck2 1
114 "% GLU 57" 343 1 343 17 parsed_1ck2 1
115 "% TYR 58" 346 1 346 17 parsed_1ck2 1
116 "% TYR 59" 349 1 349 17 parsed_1ck2 1
117 "% MET 61" 352 1 352 17 parsed_1ck2 1
118 "% LEU 62" 355 1 355 17 parsed_1ck2 1
119 "% SER 63" 358 1 358 17 parsed_1ck2 1
120 "% LYS 64" 361 1 361 17 parsed_1ck2 1
121 "% THR 65" 364 1 364 17 parsed_1ck2 1
122 "% LYS 66" 367 1 367 17 parsed_1ck2 1
123 "% VAL 67" 370 1 370 17 parsed_1ck2 1
124 "% TYR 68" 373 1 373 17 parsed_1ck2 1
125 "% TYR 69" 376 1 376 17 parsed_1ck2 1
126 "% PHE 70" 379 1 379 17 parsed_1ck2 1
127 "% THR 79" 382 1 382 17 parsed_1ck2 1
128 "% VAL 81" 385 1 385 17 parsed_1ck2 1
129 "% VAL 89" 388 1 388 17 parsed_1ck2 1
130 "% VAL 90" 391 1 391 17 parsed_1ck2 1
131 "% SER 91" 394 1 394 17 parsed_1ck2 1
132 "% ILE 92" 397 1 397 17 parsed_1ck2 1
133 "% LEU 93" 400 1 400 17 parsed_1ck2 1
134 "% GLU 94" 403 1 403 17 parsed_1ck2 1
135 "% ASP 97" 406 1 406 17 parsed_1ck2 1
136 "% SER 98" 409 1 409 17 parsed_1ck2 1
137 "% ASP 99" 412 1 412 17 parsed_1ck2 1
138 "% ILE 100" 415 1 415 18 parsed_1ck2 1
139 "% LEU 101" 418 1 418 18 parsed_1ck2 1
stop_
save_
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