NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
51801 |
2kal   |
16834 | cing | 2-parsed | STAR | dihedral angle | 114 |
data_2kal_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2kal
_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_2kal 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2kal
_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 2kal "Master copy" parsed_2kal
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2kal
_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 2kal.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kal 1
1 2kal.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 114 parsed_2kal 1
1 2kal.mr . . XPLOR/CNS 3 distance NOE simple 0 parsed_2kal 1
1 2kal.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 0 parsed_2kal 1
1 2kal.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2kal 1
1 2kal.mr . . XPLOR/CNS 6 planarity "Not applicable" "Not applicable" 0 parsed_2kal 1
1 2kal.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kal 1
stop_
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2kal
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . . 1 . O5' . 1 . C5' . 1 . C4' . 1 . C3' parsed_2kal 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 175 . . 1 . C5' . 1 . C4' . 1 . C3' . 1 . O3' parsed_2kal 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160 300 . . 1 . C4' . 1 . C3' . 1 . O3' . 2 . P parsed_2kal 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175 265 . . 1 . O4' . 1 . C1' . 1 . N9 . 1 . C4 parsed_2kal 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135 225 . . 2 . P . 2 . O5' . 2 . C5' . 2 . C4' parsed_2kal 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . . 2 . O5' . 2 . C5' . 2 . C4' . 2 . C3' parsed_2kal 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 175 . . 2 . C5' . 2 . C4' . 2 . C3' . 2 . O3' parsed_2kal 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160 300 . . 2 . C4' . 2 . C3' . 2 . O3' . 3 . P parsed_2kal 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175 265 . . 2 . O4' . 2 . C1' . 2 . N1 . 2 . C2 parsed_2kal 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135 225 . . 3 . P . 3 . O5' . 3 . C5' . 3 . C4' parsed_2kal 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . . 3 . O5' . 3 . C5' . 3 . C4' . 3 . C3' parsed_2kal 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 175 . . 3 . C5' . 3 . C4' . 3 . C3' . 3 . O3' parsed_2kal 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160 300 . . 3 . C4' . 3 . C3' . 3 . O3' . 4 . P parsed_2kal 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175 265 . . 3 . O4' . 3 . C1' . 3 . N9 . 3 . C4 parsed_2kal 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135 225 . . 4 . P . 4 . O5' . 4 . C5' . 4 . C4' parsed_2kal 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . . 4 . O5' . 4 . C5' . 4 . C4' . 4 . C3' parsed_2kal 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 175 . . 4 . C5' . 4 . C4' . 4 . C3' . 4 . O3' parsed_2kal 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160 300 . . 4 . C4' . 4 . C3' . 4 . O3' . 5 . P parsed_2kal 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175 265 . . 4 . O4' . 4 . C1' . 4 . N9 . 4 . C4 parsed_2kal 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135 225 . . 5 . P . 5 . O5' . 5 . C5' . 5 . C4' parsed_2kal 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . . 5 . O5' . 5 . C5' . 5 . C4' . 5 . C3' parsed_2kal 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 175 . . 5 . C5' . 5 . C4' . 5 . C3' . 5 . O3' parsed_2kal 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160 300 . . 5 . C4' . 5 . C3' . 5 . O3' . 6 . P parsed_2kal 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175 265 . . 5 . O4' . 5 . C1' . 5 . N9 . 5 . C4 parsed_2kal 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135 225 . . 6 . P . 6 . O5' . 6 . C5' . 6 . C4' parsed_2kal 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . . 6 . O5' . 6 . C5' . 6 . C4' . 6 . C3' parsed_2kal 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 175 . . 6 . C5' . 6 . C4' . 6 . C3' . 6 . O3' parsed_2kal 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160 300 . . 6 . C4' . 6 . C3' . 6 . O3' . 7 . P parsed_2kal 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175 265 . . 6 . O4' . 6 . C1' . 6 . N9 . 6 . C4 parsed_2kal 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135 225 . . 7 . P . 7 . O5' . 7 . C5' . 7 . C4' parsed_2kal 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . . 7 . O5' . 7 . C5' . 7 . C4' . 7 . C3' parsed_2kal 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 175 . . 7 . C5' . 7 . C4' . 7 . C3' . 7 . O3' parsed_2kal 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160 300 . . 7 . C4' . 7 . C3' . 7 . O3' . 8 . P parsed_2kal 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175 265 . . 7 . O4' . 7 . C1' . 7 . N1 . 7 . C2 parsed_2kal 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135 225 . . 8 . P . 8 . O5' . 8 . C5' . 8 . C4' parsed_2kal 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . . 8 . O5' . 8 . C5' . 8 . C4' . 8 . C3' parsed_2kal 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 175 . . 8 . C5' . 8 . C4' . 8 . C3' . 8 . O3' parsed_2kal 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160 300 . . 8 . C4' . 8 . C3' . 8 . O3' . 9 . P parsed_2kal 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175 265 . . 8 . O4' . 8 . C1' . 8 . N1 . 8 . C2 parsed_2kal 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135 225 . . 9 . P . 9 . O5' . 9 . C5' . 9 . C4' parsed_2kal 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . . 9 . O5' . 9 . C5' . 9 . C4' . 9 . C3' parsed_2kal 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 175 . . 9 . C5' . 9 . C4' . 9 . C3' . 9 . O3' parsed_2kal 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160 300 . . 9 . C4' . 9 . C3' . 9 . O3' . 10 . P parsed_2kal 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175 265 . . 9 . O4' . 9 . C1' . 9 . N1 . 9 . C2 parsed_2kal 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135 225 . . 10 . P . 10 . O5' . 10 . C5' . 10 . C4' parsed_2kal 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . . 10 . O5' . 10 . C5' . 10 . C4' . 10 . C3' parsed_2kal 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 175 . . 10 . C5' . 10 . C4' . 10 . C3' . 10 . O3' parsed_2kal 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160 300 . . 10 . C4' . 10 . C3' . 10 . O3' . 11 . P parsed_2kal 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175 265 . . 10 . O4' . 10 . C1' . 10 . N9 . 10 . C4 parsed_2kal 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135 225 . . 11 . P . 11 . O5' . 11 . C5' . 11 . C4' parsed_2kal 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . . 11 . O5' . 11 . C5' . 11 . C4' . 11 . C3' parsed_2kal 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 175 . . 11 . C5' . 11 . C4' . 11 . C3' . 11 . O3' parsed_2kal 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160 300 . . 11 . C4' . 11 . C3' . 11 . O3' . 12 . P parsed_2kal 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175 265 . . 11 . O4' . 11 . C1' . 11 . N1 . 11 . C2 parsed_2kal 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135 225 . . 12 . P . 12 . O5' . 12 . C5' . 12 . C4' parsed_2kal 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . . 12 . O5' . 12 . C5' . 12 . C4' . 12 . C3' parsed_2kal 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 175 . . 12 . C5' . 12 . C4' . 12 . C3' . 12 . O3' parsed_2kal 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . . 13 . O5' . 13 . C5' . 13 . C4' . 13 . C3' parsed_2kal 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 175 . . 13 . C5' . 13 . C4' . 13 . C3' . 13 . O3' parsed_2kal 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160 300 . . 13 . C4' . 13 . C3' . 13 . O3' . 14 . P parsed_2kal 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175 265 . . 13 . O4' . 13 . C1' . 13 . N1 . 13 . C2 parsed_2kal 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135 225 . . 14 . P . 14 . O5' . 14 . C5' . 14 . C4' parsed_2kal 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . . 14 . O5' . 14 . C5' . 14 . C4' . 14 . C3' parsed_2kal 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 175 . . 14 . C5' . 14 . C4' . 14 . C3' . 14 . O3' parsed_2kal 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160 300 . . 14 . C4' . 14 . C3' . 14 . O3' . 15 . P parsed_2kal 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175 265 . . 14 . O4' . 14 . C1' . 14 . N9 . 14 . C4 parsed_2kal 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135 225 . . 15 . P . 15 . O5' . 15 . C5' . 15 . C4' parsed_2kal 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . . 15 . O5' . 15 . C5' . 15 . C4' . 15 . C3' parsed_2kal 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 175 . . 15 . C5' . 15 . C4' . 15 . C3' . 15 . O3' parsed_2kal 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160 300 . . 15 . C4' . 15 . C3' . 15 . O3' . 16 . P parsed_2kal 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175 265 . . 15 . O4' . 15 . C1' . 15 . N1 . 15 . C2 parsed_2kal 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135 225 . . 16 . P . 16 . O5' . 16 . C5' . 16 . C4' parsed_2kal 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . . 16 . O5' . 16 . C5' . 16 . C4' . 16 . C3' parsed_2kal 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 175 . . 16 . C5' . 16 . C4' . 16 . C3' . 16 . O3' parsed_2kal 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160 300 . . 16 . C4' . 16 . C3' . 16 . O3' . 17 . P parsed_2kal 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175 265 . . 16 . O4' . 16 . C1' . 16 . N9 . 16 . C4 parsed_2kal 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135 225 . . 17 . P . 17 . O5' . 17 . C5' . 17 . C4' parsed_2kal 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . . 17 . O5' . 17 . C5' . 17 . C4' . 17 . C3' parsed_2kal 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 175 . . 17 . C5' . 17 . C4' . 17 . C3' . 17 . O3' parsed_2kal 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160 300 . . 17 . C4' . 17 . C3' . 17 . O3' . 18 . P parsed_2kal 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175 265 . . 17 . O4' . 17 . C1' . 17 . N9 . 17 . C4 parsed_2kal 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135 225 . . 18 . P . 18 . O5' . 18 . C5' . 18 . C4' parsed_2kal 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . . 18 . O5' . 18 . C5' . 18 . C4' . 18 . C3' parsed_2kal 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 175 . . 18 . C5' . 18 . C4' . 18 . C3' . 18 . O3' parsed_2kal 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160 300 . . 18 . C4' . 18 . C3' . 18 . O3' . 19 . P parsed_2kal 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175 265 . . 18 . O4' . 18 . C1' . 18 . N9 . 18 . C4 parsed_2kal 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135 225 . . 19 . P . 19 . O5' . 19 . C5' . 19 . C4' parsed_2kal 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . . 19 . O5' . 19 . C5' . 19 . C4' . 19 . C3' parsed_2kal 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 175 . . 19 . C5' . 19 . C4' . 19 . C3' . 19 . O3' parsed_2kal 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160 300 . . 19 . C4' . 19 . C3' . 19 . O3' . 20 . P parsed_2kal 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175 265 . . 19 . O4' . 19 . C1' . 19 . N1 . 19 . C2 parsed_2kal 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135 225 . . 20 . P . 20 . O5' . 20 . C5' . 20 . C4' parsed_2kal 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . . 20 . O5' . 20 . C5' . 20 . C4' . 20 . C3' parsed_2kal 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 175 . . 20 . C5' . 20 . C4' . 20 . C3' . 20 . O3' parsed_2kal 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160 300 . . 20 . C4' . 20 . C3' . 20 . O3' . 21 . P parsed_2kal 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175 265 . . 20 . O4' . 20 . C1' . 20 . N1 . 20 . C2 parsed_2kal 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135 225 . . 21 . P . 21 . O5' . 21 . C5' . 21 . C4' parsed_2kal 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . . 21 . O5' . 21 . C5' . 21 . C4' . 21 . C3' parsed_2kal 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 175 . . 21 . C5' . 21 . C4' . 21 . C3' . 21 . O3' parsed_2kal 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160 300 . . 21 . C4' . 21 . C3' . 21 . O3' . 22 . P parsed_2kal 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175 265 . . 21 . O4' . 21 . C1' . 21 . N1 . 21 . C2 parsed_2kal 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135 225 . . 22 . P . 22 . O5' . 22 . C5' . 22 . C4' parsed_2kal 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . . 22 . O5' . 22 . C5' . 22 . C4' . 22 . C3' parsed_2kal 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 175 . . 22 . C5' . 22 . C4' . 22 . C3' . 22 . O3' parsed_2kal 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160 300 . . 22 . C4' . 22 . C3' . 22 . O3' . 23 . P parsed_2kal 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175 265 . . 22 . O4' . 22 . C1' . 22 . N1 . 22 . C2 parsed_2kal 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135 225 . . 23 . P . 23 . O5' . 23 . C5' . 23 . C4' parsed_2kal 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . . 23 . O5' . 23 . C5' . 23 . C4' . 23 . C3' parsed_2kal 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 175 . . 23 . C5' . 23 . C4' . 23 . C3' . 23 . O3' parsed_2kal 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160 300 . . 23 . C4' . 23 . C3' . 23 . O3' . 24 . P parsed_2kal 1
111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175 265 . . 23 . O4' . 23 . C1' . 23 . N9 . 23 . C4 parsed_2kal 1
112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135 225 . . 24 . P . 24 . O5' . 24 . C5' . 24 . C4' parsed_2kal 1
113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . . 24 . O5' . 24 . C5' . 24 . C4' . 24 . C3' parsed_2kal 1
114 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 175 . . 24 . C5' . 24 . C4' . 24 . C3' . 24 . O3' parsed_2kal 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 "echo=off message=off" 1 1 1 28 parsed_2kal 1
2
;
G1 alpha is unconstrained
G1 beta is unconstrained
G1 gamma
;
2 1 6 11 parsed_2kal 1
3 "G1 delta" 11 1 11 11 parsed_2kal 1
4 "G1 eps" 16 1 16 9 parsed_2kal 1
5
;
G1 zeta is unconstrained
G1 CHI
;
21 1 23 9 parsed_2kal 1
6
;
C2 alpha is unconstrained
C2 beta
;
28 1 30 10 parsed_2kal 1
7 "C2 gamma" 35 1 35 11 parsed_2kal 1
8 "C2 delta" 40 1 40 11 parsed_2kal 1
9 "C2 eps" 45 1 45 9 parsed_2kal 1
10
;
C2 zeta is unconstrained
C2 chi
;
50 1 52 9 parsed_2kal 1
11
;
G3 alpha is unconstrained
G3 beta
;
57 1 59 10 parsed_2kal 1
12 "G3 gamma" 64 1 64 11 parsed_2kal 1
13 "G3 delta" 69 1 69 11 parsed_2kal 1
14 "G3 eps" 74 1 74 9 parsed_2kal 1
15
;
G3 zeta is unconstrained
G3 CHI
;
79 1 81 9 parsed_2kal 1
16
;
A4 alpha is unconstrained
A4 beta
;
86 1 88 10 parsed_2kal 1
17 "A4 gamma" 93 1 93 11 parsed_2kal 1
18 "A4 delta" 98 1 98 11 parsed_2kal 1
19 "A4 eps" 103 1 103 9 parsed_2kal 1
20
;
A4 zeta is unconstrained
A4 CHI
;
108 1 110 9 parsed_2kal 1
21
;
G5 alpha is unconstrained
G5 beta
;
115 1 117 10 parsed_2kal 1
22 "G5 gamma" 122 1 122 11 parsed_2kal 1
23 "G5 delta" 127 1 127 11 parsed_2kal 1
24 "G5 eps" 132 1 132 9 parsed_2kal 1
25
;
G5 zeta is unconstrained
G5 CHI
;
137 1 139 9 parsed_2kal 1
26
;
A6 alpha is unconstrained
A6 beta
;
144 1 146 10 parsed_2kal 1
27 "A6 gamma" 151 1 151 11 parsed_2kal 1
28 "A6 delta" 156 1 156 11 parsed_2kal 1
29 "A6 eps" 161 1 161 9 parsed_2kal 1
30
;
A6 zeta is unconstrained
A6 CHI
;
166 1 168 9 parsed_2kal 1
31
;
T7 alpha is unconstrained
T7 beta
;
173 1 175 10 parsed_2kal 1
32 "T7 gamma" 180 1 180 11 parsed_2kal 1
33 "T7 delta" 185 1 185 11 parsed_2kal 1
34 "T7 eps" 190 1 190 9 parsed_2kal 1
35
;
T7 zeta is unconstrained
T7 chi
;
195 1 197 9 parsed_2kal 1
36
;
C8 alpha is unconstrained
C8 beta
;
202 1 204 10 parsed_2kal 1
37 "C8 gamma" 209 1 209 11 parsed_2kal 1
38 "C8 delta" 214 1 214 11 parsed_2kal 1
39 "C8 eps" 219 1 219 9 parsed_2kal 1
40
;
C8 zeta is unconstrained
C8 chi
;
224 1 226 9 parsed_2kal 1
41
;
T9 alpha is unconstrained
T9 beta
;
231 1 233 10 parsed_2kal 1
42 "T9 gamma" 238 1 238 11 parsed_2kal 1
43 "T9 delta" 243 1 243 11 parsed_2kal 1
44 "T9 eps" 248 1 248 9 parsed_2kal 1
45
;
T9 zeta is unconstrained
T9 chi
;
253 1 255 9 parsed_2kal 1
46
;
G10 alpha is unconstrained
G10 beta
;
260 1 262 11 parsed_2kal 1
47 "G10 gamma" 267 1 267 12 parsed_2kal 1
48 "G10 delta" 272 1 272 12 parsed_2kal 1
49 "G10 eps" 277 1 277 10 parsed_2kal 1
50
;
G10 zeta is unconstrained
G10 CHI
;
282 1 284 10 parsed_2kal 1
51
;
C11 alpha is unconstrained
C11 beta
;
289 1 291 11 parsed_2kal 1
52 "C11 gamma" 296 1 296 12 parsed_2kal 1
53 "C11 delta" 301 1 301 12 parsed_2kal 1
54 "C11 eps" 306 1 306 10 parsed_2kal 1
55
;
C11 zeta is unconstrained
C11 chi
;
311 1 313 10 parsed_2kal 1
56
;
G12 alpha is unconstrained
G12 beta
;
318 1 320 11 parsed_2kal 1
57 "G12 gamma" 325 1 325 12 parsed_2kal 1
58 "G12 delta" 330 1 330 12 parsed_2kal 1
59
;
G12 eps is unconstrained
G12 zeta is unconstrained
G12 chi is unconstrained
C13 alpha is unconstrained
C13 beta is unconstrained
C13 gamma
;
335 1 345 12 parsed_2kal 1
60 "C13 delta" 350 1 350 12 parsed_2kal 1
61 "C13 eps" 355 1 355 10 parsed_2kal 1
62
;
C13 zeta is unconstrained
C13 chi
;
360 1 362 10 parsed_2kal 1
63
;
G14 alpha is unconstrained
G14 beta
;
367 1 369 11 parsed_2kal 1
64 "G14 gamma" 374 1 374 12 parsed_2kal 1
65 "G14 delta" 379 1 379 12 parsed_2kal 1
66 "G14 eps" 384 1 384 10 parsed_2kal 1
67
;
G14 zeta is unconstrained
G14 CHI
;
389 1 391 10 parsed_2kal 1
68
;
C15 alpha is unconstrained
C15 beta
;
396 1 398 11 parsed_2kal 1
69 "C15 gamma" 403 1 403 12 parsed_2kal 1
70 "C15 delta" 408 1 408 12 parsed_2kal 1
71 "C15 eps" 413 1 413 10 parsed_2kal 1
72
;
C15 zeta is unconstrained
C15 chi
;
418 1 420 10 parsed_2kal 1
73
;
A16 alpha is unconstrained
A16 beta
;
425 1 427 11 parsed_2kal 1
74 "A16 gamma" 432 1 432 12 parsed_2kal 1
75 "A16 delta" 437 1 437 12 parsed_2kal 1
76 "A16 eps" 442 1 442 10 parsed_2kal 1
77
;
A16 zeta is unconstrained
A16 CHI
;
447 1 449 10 parsed_2kal 1
78
;
G17 alpha is unconstrained
G17 beta
;
454 1 456 11 parsed_2kal 1
79 "G17 gamma" 461 1 461 12 parsed_2kal 1
80 "G17 delta" 466 1 466 12 parsed_2kal 1
81 "G17 eps" 471 1 471 10 parsed_2kal 1
82
;
G17 zeta is unconstrained
G17 CHI
;
476 1 478 10 parsed_2kal 1
83
;
A18 alpha is unconstrained
A18 beta
;
483 1 485 11 parsed_2kal 1
84 "A18 gamma" 490 1 490 12 parsed_2kal 1
85 "A18 delta" 495 1 495 12 parsed_2kal 1
86 "A18 eps" 500 1 500 10 parsed_2kal 1
87
;
A18 zeta is unconstrained
A18 CHI
;
505 1 507 10 parsed_2kal 1
88
;
T19 alpha is unconstrained
T19 beta
;
512 1 514 11 parsed_2kal 1
89 "T19 gamma" 519 1 519 12 parsed_2kal 1
90 "T19 delta" 524 1 524 12 parsed_2kal 1
91 "T19 eps" 529 1 529 10 parsed_2kal 1
92
;
T19 zeta is unconstrained
T19 chi
;
534 1 536 10 parsed_2kal 1
93
;
C20 alpha is unconstrained
C20 beta
;
541 1 543 11 parsed_2kal 1
94 "C20 gamma" 548 1 548 12 parsed_2kal 1
95 "C20 delta" 553 1 553 12 parsed_2kal 1
96 "C20 eps" 558 1 558 10 parsed_2kal 1
97
;
C20 zeta is unconstrained
C20 chi
;
563 1 565 10 parsed_2kal 1
98
;
T21 alpha is unconstrained
T21 beta
;
570 1 572 11 parsed_2kal 1
99 "T21 gamma" 577 1 577 12 parsed_2kal 1
100 "T21 delta" 582 1 582 12 parsed_2kal 1
101 "T21 eps" 587 1 587 10 parsed_2kal 1
102
;
T21 zeta is unconstrained
T21 chi
;
592 1 594 10 parsed_2kal 1
103
;
C22 alpha is unconstrained
C22 beta
;
599 1 601 11 parsed_2kal 1
104 "C22 gamma" 606 1 606 12 parsed_2kal 1
105 "C22 delta" 611 1 611 12 parsed_2kal 1
106 "C22 eps" 616 1 616 10 parsed_2kal 1
107
;
C22 zeta is unconstrained
C22 chi
;
621 1 623 10 parsed_2kal 1
108
;
G23 alpha is unconstrained
G23 beta
;
628 1 630 11 parsed_2kal 1
109 "G23 gamma" 635 1 635 12 parsed_2kal 1
110 "G23 delta" 640 1 640 12 parsed_2kal 1
111 "G23 eps" 645 1 645 10 parsed_2kal 1
112
;
G23 zeta is unconstrained
G23 CHI
;
650 1 652 10 parsed_2kal 1
113
;
C24 alpha is unconstrained
C24 beta
;
657 1 659 11 parsed_2kal 1
114 "C24 gamma" 664 1 664 12 parsed_2kal 1
115 "C24 delta" 669 1 669 12 parsed_2kal 1
116
;
C24 eps is unconstrained
C24 zeta is unconstrained
C24 chi is unconstrained
;
674 1 678 27 parsed_2kal 1
117
;
echo=on message=on
echo=off message=off
;
680 1 682 29 parsed_2kal 1
stop_
save_
Contact the webmaster for help, if required. Thursday, May 23, 2024 9:23:45 PM GMT (wattos1)