NMR Restraints Grid
| |
NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | program | type | item_count |
|
|
30479 |
1cn7   |
4339 | cing | recoord | dress | 2-parsed | STAR | dihedral angle | 139 |
data_1cn7_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1cn7
_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_1cn7 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1cn7
_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 1cn7 "Master copy" parsed_1cn7
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1cn7
_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 1cn7.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1cn7 1
1 1cn7.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1cn7 1
1 1cn7.mr . . XPLOR/CNS 3 distance NOE simple 1418 parsed_1cn7 1
1 1cn7.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 62 parsed_1cn7 1
1 1cn7.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 139 parsed_1cn7 1
1 1cn7.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1cn7 1
1 1cn7.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1cn7 1
stop_
save_
save_CNS/XPLOR_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1cn7
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 5
_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_1cn7 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -60.0 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_1cn7 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -60.0 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_1cn7 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -60.0 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_1cn7 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -60.0 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_1cn7 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_1cn7 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_1cn7 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_1cn7 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_1cn7 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_1cn7 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_1cn7 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_1cn7 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_1cn7 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_1cn7 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_1cn7 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_1cn7 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_1cn7 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_1cn7 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_1cn7 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_1cn7 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_1cn7 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_1cn7 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 27 . C . 28 . N . 28 . CA . 28 . C parsed_1cn7 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_1cn7 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 29 . C . 30 . N . 30 . CA . 30 . C parsed_1cn7 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_1cn7 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 31 . C . 32 . N . 32 . CA . 32 . C parsed_1cn7 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 32 . C . 33 . N . 33 . CA . 33 . C parsed_1cn7 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 33 . C . 34 . N . 34 . CA . 34 . C parsed_1cn7 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 34 . C . 35 . N . 35 . CA . 35 . C parsed_1cn7 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.0 -54.0 . . 35 . C . 36 . N . 36 . CA . 36 . C parsed_1cn7 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -40.0 . . 37 . C . 38 . N . 38 . CA . 38 . C parsed_1cn7 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.0 -49.0 . . 38 . C . 39 . N . 39 . CA . 39 . C parsed_1cn7 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 39 . C . 40 . N . 40 . CA . 40 . C parsed_1cn7 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 40 . C . 41 . N . 41 . CA . 41 . C parsed_1cn7 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 41 . C . 42 . N . 42 . CA . 42 . C parsed_1cn7 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 42 . C . 43 . N . 43 . CA . 43 . C parsed_1cn7 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 43 . C . 44 . N . 44 . CA . 44 . C parsed_1cn7 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 44 . C . 45 . N . 45 . CA . 45 . C parsed_1cn7 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 45 . C . 46 . N . 46 . CA . 46 . C parsed_1cn7 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -60.0 . . 46 . C . 47 . N . 47 . CA . 47 . C parsed_1cn7 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -60.0 . . 47 . C . 48 . N . 48 . CA . 48 . C parsed_1cn7 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 49 . C . 50 . N . 50 . CA . 50 . C parsed_1cn7 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 50 . C . 51 . N . 51 . CA . 51 . C parsed_1cn7 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 51 . C . 52 . N . 52 . CA . 52 . C parsed_1cn7 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 52 . C . 53 . N . 53 . CA . 53 . C parsed_1cn7 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 53 . C . 54 . N . 54 . CA . 54 . C parsed_1cn7 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 54 . C . 55 . N . 55 . CA . 55 . C parsed_1cn7 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 55 . C . 56 . N . 56 . CA . 56 . C parsed_1cn7 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 56 . C . 57 . N . 57 . CA . 57 . C parsed_1cn7 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 57 . C . 58 . N . 58 . CA . 58 . C parsed_1cn7 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 58 . C . 59 . N . 59 . CA . 59 . C parsed_1cn7 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 59 . C . 60 . N . 60 . CA . 60 . C parsed_1cn7 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 60 . C . 61 . N . 61 . CA . 61 . C parsed_1cn7 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 61 . C . 62 . N . 62 . CA . 62 . C parsed_1cn7 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -60.0 . . 62 . C . 63 . N . 63 . CA . 63 . C parsed_1cn7 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 65 . C . 66 . N . 66 . CA . 66 . C parsed_1cn7 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 66 . C . 67 . N . 67 . CA . 67 . C parsed_1cn7 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 67 . C . 68 . N . 68 . CA . 68 . C parsed_1cn7 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 68 . C . 69 . N . 69 . CA . 69 . C parsed_1cn7 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 69 . C . 70 . N . 70 . CA . 70 . C parsed_1cn7 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -60.0 . . 70 . C . 71 . N . 71 . CA . 71 . C parsed_1cn7 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 71 . C . 72 . N . 72 . CA . 72 . C parsed_1cn7 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 79 . C . 80 . N . 80 . CA . 80 . C parsed_1cn7 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 88 . C . 89 . N . 89 . CA . 89 . C parsed_1cn7 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 90 . C . 91 . N . 91 . CA . 91 . C parsed_1cn7 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 91 . C . 92 . N . 92 . CA . 92 . C parsed_1cn7 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 92 . C . 93 . N . 93 . CA . 93 . C parsed_1cn7 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 93 . C . 94 . N . 94 . CA . 94 . C parsed_1cn7 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -60.0 . . 94 . C . 95 . N . 95 . CA . 95 . C parsed_1cn7 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -60.0 . . 95 . C . 96 . N . 96 . CA . 96 . C parsed_1cn7 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 96 . C . 97 . N . 97 . CA . 97 . C parsed_1cn7 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -60.0 . . 97 . C . 98 . N . 98 . CA . 98 . C parsed_1cn7 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 98 . C . 99 . N . 99 . CA . 99 . C parsed_1cn7 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -60.0 . . 99 . C . 100 . N . 100 . CA . 100 . C parsed_1cn7 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -60.0 . . 100 . C . 101 . N . 101 . CA . 101 . C parsed_1cn7 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -60.0 . . 101 . C . 102 . N . 102 . CA . 102 . C parsed_1cn7 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -60.0 . . 102 . C . 103 . N . 103 . CA . 103 . C parsed_1cn7 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -60.0 . . 103 . C . 104 . N . 104 . CA . 104 . C parsed_1cn7 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -60.0 . . 104 . C . 105 . N . 105 . CA . 105 . C parsed_1cn7 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 10 . N . 10 . CA . 10 . CB . 10 . CG1 parsed_1cn7 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 12 . N . 12 . CA . 12 . CB . 12 . CG parsed_1cn7 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 13 . N . 13 . CA . 13 . CB . 13 . CG parsed_1cn7 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 14 . N . 14 . CA . 14 . CB . 14 . CG parsed_1cn7 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 16 . N . 16 . CA . 16 . CB . 16 . CG parsed_1cn7 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 17 . N . 17 . CA . 17 . CB . 17 . CG1 parsed_1cn7 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 18 . N . 18 . CA . 18 . CB . 18 . CG1 parsed_1cn7 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 85.0 . . 20 . N . 20 . CA . 20 . CB . 20 . OG parsed_1cn7 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 22 . N . 22 . CA . 22 . CB . 22 . CG parsed_1cn7 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 85.0 . . 23 . N . 23 . CA . 23 . CB . 23 . CG parsed_1cn7 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 24 . N . 24 . CA . 24 . CB . 24 . OG1 parsed_1cn7 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 25 . N . 25 . CA . 25 . CB . 25 . CG parsed_1cn7 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 27 . N . 27 . CA . 27 . CB . 27 . CG parsed_1cn7 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 28 . N . 28 . CA . 28 . CB . 28 . CG parsed_1cn7 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 30 . N . 30 . CA . 30 . CB . 30 . OG1 parsed_1cn7 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 31 . N . 31 . CA . 31 . CB . 31 . CG1 parsed_1cn7 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 32 . N . 32 . CA . 32 . CB . 32 . CG parsed_1cn7 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 33 . N . 33 . CA . 33 . CB . 33 . OG parsed_1cn7 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 34 . N . 34 . CA . 34 . CB . 34 . CG parsed_1cn7 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 35 . N . 35 . CA . 35 . CB . 35 . CG parsed_1cn7 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 36 . N . 36 . CA . 36 . CB . 36 . CG parsed_1cn7 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 85.0 . . 39 . N . 39 . CA . 39 . CB . 39 . OG parsed_1cn7 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 40 . N . 40 . CA . 40 . CB . 40 . CG parsed_1cn7 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 41 . N . 41 . CA . 41 . CB . 41 . CG parsed_1cn7 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 85.0 . . 42 . N . 42 . CA . 42 . CB . 42 . CG1 parsed_1cn7 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 43 . N . 43 . CA . 43 . CB . 43 . CG1 parsed_1cn7 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 44 . N . 44 . CA . 44 . CB . 44 . CG1 parsed_1cn7 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 48 . N . 48 . CA . 48 . CB . 48 . OG1 parsed_1cn7 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 210.0 . . 50 . N . 50 . CA . 50 . CB . 50 . CG1 parsed_1cn7 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 51 . N . 51 . CA . 51 . CB . 51 . CG parsed_1cn7 1
111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 52 . N . 52 . CA . 52 . CB . 52 . CG parsed_1cn7 1
112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 85.0 . . 53 . N . 53 . CA . 53 . CB . 53 . CG parsed_1cn7 1
113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 56 . N . 56 . CA . 56 . CB . 56 . CG parsed_1cn7 1
114 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 57 . N . 57 . CA . 57 . CB . 57 . CG parsed_1cn7 1
115 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 58 . N . 58 . CA . 58 . CB . 58 . CG parsed_1cn7 1
116 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 59 . N . 59 . CA . 59 . CB . 59 . CG parsed_1cn7 1
117 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 61 . N . 61 . CA . 61 . CB . 61 . CG parsed_1cn7 1
118 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 62 . N . 62 . CA . 62 . CB . 62 . CG parsed_1cn7 1
119 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 85.0 . . 63 . N . 63 . CA . 63 . CB . 63 . OG parsed_1cn7 1
120 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 64 . N . 64 . CA . 64 . CB . 64 . CG parsed_1cn7 1
121 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 65 . N . 65 . CA . 65 . CB . 65 . OG1 parsed_1cn7 1
122 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 66 . N . 66 . CA . 66 . CB . 66 . CG parsed_1cn7 1
123 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 67 . N . 67 . CA . 67 . CB . 67 . CG1 parsed_1cn7 1
124 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 68 . N . 68 . CA . 68 . CB . 68 . CG parsed_1cn7 1
125 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 69 . N . 69 . CA . 69 . CB . 69 . CG parsed_1cn7 1
126 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 70 . N . 70 . CA . 70 . CB . 70 . CG parsed_1cn7 1
127 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 79 . N . 79 . CA . 79 . CB . 79 . OG1 parsed_1cn7 1
128 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 81 . N . 81 . CA . 81 . CB . 81 . CG1 parsed_1cn7 1
129 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 85.0 . . 89 . N . 89 . CA . 89 . CB . 89 . CG1 parsed_1cn7 1
130 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 90 . N . 90 . CA . 90 . CB . 90 . CG1 parsed_1cn7 1
131 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 91 . N . 91 . CA . 91 . CB . 91 . OG parsed_1cn7 1
132 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 92 . N . 92 . CA . 92 . CB . 92 . CG1 parsed_1cn7 1
133 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 93 . N . 93 . CA . 93 . CB . 93 . CG parsed_1cn7 1
134 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 94 . N . 94 . CA . 94 . CB . 94 . CG parsed_1cn7 1
135 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 97 . N . 97 . CA . 97 . CB . 97 . CG parsed_1cn7 1
136 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 98 . N . 98 . CA . 98 . CB . 98 . OG parsed_1cn7 1
137 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 85.0 . . 99 . N . 99 . CA . 99 . CB . 99 . CG parsed_1cn7 1
138 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 100 . N . 100 . CA . 100 . CB . 100 . CG1 parsed_1cn7 1
139 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 85.0 . . 101 . N . 101 . CA . 101 . CB . 101 . CG parsed_1cn7 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
;
Final XPLOR restraints for calculating L30 protein free in solution
4/23/99 by H. Mao
SQ SEQUENCE 104 AA; 11284 MW; 2BB4D4AA CRC32;
APVKSQESIN QKLALVIKSG KYTLGYKSTV KSLRQGKSKL IIIAANTPVL RKSELEYYAM
LSKTKVYYFQ GGNNELGTAV GKLFRVGVVS ILEAGDSDIL TTLA
total dihdral 139
side chain 59
backbone 80
;
1 1 9 19 parsed_1cn7 1
2
;
Phi restraints: minimum deviation = 30 degrees
1st number is energy constant,2nd is the degree of dihedral angle,
3rd is the range restrained and 4th is the exponential function
backbone phi dihedral angles derived from HNHA experiment
% VAL 4
;
12 1 17 16 parsed_1cn7 1
3 "% LYS 5" 20 1 20 16 parsed_1cn7 1
4 "% SER 6" 23 1 23 16 parsed_1cn7 1
5 "% GLN 7" 26 1 26 16 parsed_1cn7 1
6 "% GLU 8" 29 1 29 16 parsed_1cn7 1
7 "% SER 9" 32 1 32 16 parsed_1cn7 1
8 "% ILE 10" 35 1 35 17 parsed_1cn7 1
9 "% ASN 11" 38 1 38 17 parsed_1cn7 1
10 "% GLN 12" 41 1 41 17 parsed_1cn7 1
11 "% LYS 13" 44 1 44 17 parsed_1cn7 1
12 "% LEU 14" 47 1 47 17 parsed_1cn7 1
13 "% ALA 15" 50 1 50 17 parsed_1cn7 1
14 "% LEU 16" 53 1 53 17 parsed_1cn7 1
15 "% VAL 17" 56 1 56 17 parsed_1cn7 1
16 "% ILE 18" 59 1 59 17 parsed_1cn7 1
17 "% LYS 19" 62 1 62 17 parsed_1cn7 1
18 "% SER 20" 65 1 65 17 parsed_1cn7 1
19 "% GLY 21" 68 1 68 17 parsed_1cn7 1
20 "% LYS 22" 71 1 71 17 parsed_1cn7 1
21 "% TYR 23" 74 1 74 17 parsed_1cn7 1
22 "% THR 24" 77 1 77 17 parsed_1cn7 1
23 "% LEU 25" 80 1 80 17 parsed_1cn7 1
24 "% LYS 28" 83 1 83 17 parsed_1cn7 1
25 "% SER 29" 86 1 86 17 parsed_1cn7 1
26 "% THR 30" 89 1 89 17 parsed_1cn7 1
27 "% VAL 31" 92 1 92 17 parsed_1cn7 1
28 "% LYS 32" 95 1 95 17 parsed_1cn7 1
29 "% SER 33" 98 1 98 17 parsed_1cn7 1
30 "% LEU 34" 101 1 101 17 parsed_1cn7 1
31 "% ARG 35" 104 1 104 17 parsed_1cn7 1
32 "% GLN 36" 107 1 107 17 parsed_1cn7 1
33 "% LYS 38" 110 1 110 17 parsed_1cn7 1
34 "% SER 39" 113 1 113 17 parsed_1cn7 1
35 "% LYS 40" 116 1 116 17 parsed_1cn7 1
36 "% LEU 41" 119 1 119 17 parsed_1cn7 1
37 "% ILE 42" 122 1 122 17 parsed_1cn7 1
38 "% ILE 43" 125 1 125 17 parsed_1cn7 1
39 "% ILE 44" 128 1 128 17 parsed_1cn7 1
40 "% ALA 45" 131 1 131 17 parsed_1cn7 1
41 "% ALA 46" 134 1 134 17 parsed_1cn7 1
42 "% ASN 47" 137 1 137 17 parsed_1cn7 1
43 "% THR 48" 140 1 140 17 parsed_1cn7 1
44 "% VAL 50" 143 1 143 17 parsed_1cn7 1
45 "% LEU 51" 146 1 146 17 parsed_1cn7 1
46 "% ARG 52" 149 1 149 17 parsed_1cn7 1
47 "% LYS 53" 152 1 152 17 parsed_1cn7 1
48 "% SER 54" 155 1 155 17 parsed_1cn7 1
49 "% GLU 55" 158 1 158 17 parsed_1cn7 1
50 "% LEU 56" 161 1 161 17 parsed_1cn7 1
51 "% GLU 57" 164 1 164 17 parsed_1cn7 1
52 "% TYR 58" 167 1 167 17 parsed_1cn7 1
53 "% TYR 59" 170 1 170 17 parsed_1cn7 1
54 "% ALA 60" 173 1 173 17 parsed_1cn7 1
55 "% MET 61" 176 1 176 17 parsed_1cn7 1
56 "% LEU 62" 179 1 179 17 parsed_1cn7 1
57 "% SER 63" 182 1 182 17 parsed_1cn7 1
58 "% LYS 66" 185 1 185 17 parsed_1cn7 1
59 "% VAL 67" 188 1 188 17 parsed_1cn7 1
60 "% TYR 68" 191 1 191 17 parsed_1cn7 1
61 "% TYR 69" 194 1 194 17 parsed_1cn7 1
62 "% PHE 70" 197 1 197 17 parsed_1cn7 1
63 "% GLN 71" 200 1 200 17 parsed_1cn7 1
64 "% GLY 72" 203 1 203 17 parsed_1cn7 1
65 "% ALA 80" 206 1 206 17 parsed_1cn7 1
66 "% VAL 89" 209 1 209 17 parsed_1cn7 1
67 "% SER 91" 212 1 212 17 parsed_1cn7 1
68 "% ILE 92" 215 1 215 17 parsed_1cn7 1
69 "% LEU 93" 218 1 218 17 parsed_1cn7 1
70 "% GLU 94" 221 1 221 17 parsed_1cn7 1
71 "% ALA 95" 224 1 224 17 parsed_1cn7 1
72 "% GLY 96" 227 1 227 17 parsed_1cn7 1
73 "% ASP 97" 230 1 230 17 parsed_1cn7 1
74 "% SER 98" 233 1 233 17 parsed_1cn7 1
75 "% ASP 99" 236 1 236 17 parsed_1cn7 1
76 "% ILE 100" 239 1 239 18 parsed_1cn7 1
77 "% LEU 101" 242 1 242 18 parsed_1cn7 1
78 "% THR 102" 245 1 245 18 parsed_1cn7 1
79 "% THR 103" 248 1 248 18 parsed_1cn7 1
80 "% LEU 104" 251 1 251 18 parsed_1cn7 1
81 "% ALA 105" 254 1 254 18 parsed_1cn7 1
82
;
chi angles from stereospecific assignment
% ILE 10
;
258 1 259 17 parsed_1cn7 1
83 "% GLN 12" 262 1 262 17 parsed_1cn7 1
84 "% LYS 13" 265 1 265 17 parsed_1cn7 1
85 "% LEU 14" 268 1 268 17 parsed_1cn7 1
86 "% LEU 16" 271 1 271 17 parsed_1cn7 1
87 "% VAL 17" 274 1 274 17 parsed_1cn7 1
88 "% ILE 18" 277 1 277 17 parsed_1cn7 1
89 "% SER 20" 280 1 280 17 parsed_1cn7 1
90 "% LYS 22" 283 1 283 17 parsed_1cn7 1
91 "% TYR 23" 286 1 286 17 parsed_1cn7 1
92 "% THR 24" 289 1 289 17 parsed_1cn7 1
93 "% LEU 25" 292 1 292 17 parsed_1cn7 1
94 "% TYR 27" 295 1 295 17 parsed_1cn7 1
95 "% LYS 28" 298 1 298 17 parsed_1cn7 1
96 "% THR 30" 301 1 301 17 parsed_1cn7 1
97 "% VAL 31" 304 1 304 17 parsed_1cn7 1
98 "% LYS 32" 307 1 307 17 parsed_1cn7 1
99 "% SER 33" 310 1 310 17 parsed_1cn7 1
100 "% LEU 34" 313 1 313 17 parsed_1cn7 1
101 "% ARG 35" 316 1 316 17 parsed_1cn7 1
102 "% GLN 36" 319 1 319 17 parsed_1cn7 1
103 "% SER 39" 322 1 322 17 parsed_1cn7 1
104 "% LYS 40" 325 1 325 17 parsed_1cn7 1
105 "% LEU 41" 328 1 328 17 parsed_1cn7 1
106 "% ILE 42" 331 1 331 17 parsed_1cn7 1
107 "% ILE 43" 334 1 334 17 parsed_1cn7 1
108 "% ILE 44" 337 1 337 17 parsed_1cn7 1
109 "% THR 48" 340 1 340 17 parsed_1cn7 1
110 "% VAL 50" 343 1 343 17 parsed_1cn7 1
111 "% LEU 51" 346 1 346 17 parsed_1cn7 1
112 "% ARG 52" 349 1 349 17 parsed_1cn7 1
113 "% LYS 53" 352 1 352 17 parsed_1cn7 1
114 "% LEU 56" 355 1 355 17 parsed_1cn7 1
115 "% GLU 57" 358 1 358 17 parsed_1cn7 1
116 "% TYR 58" 361 1 361 17 parsed_1cn7 1
117 "% TYR 59" 364 1 364 17 parsed_1cn7 1
118 "% MET 61" 367 1 367 17 parsed_1cn7 1
119 "% LEU 62" 370 1 370 17 parsed_1cn7 1
120 "% SER 63" 373 1 373 17 parsed_1cn7 1
121 "% LYS 64" 376 1 376 17 parsed_1cn7 1
122 "% THR 65" 379 1 379 17 parsed_1cn7 1
123 "% LYS 66" 382 1 382 17 parsed_1cn7 1
124 "% VAL 67" 385 1 385 17 parsed_1cn7 1
125 "% TYR 68" 388 1 388 17 parsed_1cn7 1
126 "% TYR 69" 391 1 391 17 parsed_1cn7 1
127 "% PHE 70" 394 1 394 17 parsed_1cn7 1
128 "% THR 79" 397 1 397 17 parsed_1cn7 1
129 "% VAL 81" 400 1 400 17 parsed_1cn7 1
130 "% VAL 89" 403 1 403 17 parsed_1cn7 1
131 "% VAL 90" 406 1 406 17 parsed_1cn7 1
132 "% SER 91" 409 1 409 17 parsed_1cn7 1
133 "% ILE 92" 412 1 412 17 parsed_1cn7 1
134 "% LEU 93" 415 1 415 17 parsed_1cn7 1
135 "% GLU 94" 418 1 418 17 parsed_1cn7 1
136 "% ASP 97" 421 1 421 17 parsed_1cn7 1
137 "% SER 98" 424 1 424 17 parsed_1cn7 1
138 "% ASP 99" 427 1 427 17 parsed_1cn7 1
139 "% ILE 100" 430 1 430 18 parsed_1cn7 1
140 "% LEU 101" 433 1 433 18 parsed_1cn7 1
stop_
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1 "restraints dihedral reset" 11 1 11 25 parsed_1cn7 1
stop_
save_
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