NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
50729 |
2k2u   |
cing | 2-parsed | STAR | dihedral angle | 158 |
data_2k2u_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2k2u
_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_2k2u 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2k2u
_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 2k2u "Master copy" parsed_2k2u
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2k2u
_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 2k2u.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2k2u 1
1 2k2u.mr . . XPLOR/CNS 2 distance NOE simple 1001 parsed_2k2u 1
1 2k2u.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 parsed_2k2u 1
1 2k2u.mr . . XPLOR/CNS 4 distance NOE simple 583 parsed_2k2u 1
1 2k2u.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 36 parsed_2k2u 1
1 2k2u.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 158 parsed_2k2u 1
1 2k2u.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2k2u 1
stop_
save_
save_CNS/XPLOR_dihedral_6
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2k2u
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -52.00 . A 1 . C A 2 . N A 2 . CA A 2 . C parsed_2k2u 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.00 -1.00 . A 2 . N A 2 . CA A 2 . C A 3 . N parsed_2k2u 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -132.50 -75.50 . A 2 . C A 3 . N A 3 . CA A 3 . C parsed_2k2u 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -17.00 19.00 . A 3 . N A 3 . CA A 3 . C A 4 . N parsed_2k2u 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -168.50 -99.50 . A 3 . C A 4 . N A 4 . CA A 4 . C parsed_2k2u 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.00 163.00 . A 4 . N A 4 . CA A 4 . C A 5 . N parsed_2k2u 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -189.50 -72.50 . A 4 . C A 5 . N A 5 . CA A 5 . C parsed_2k2u 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 134.50 173.50 . A 5 . N A 5 . CA A 5 . C A 6 . N parsed_2k2u 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -161.00 -41.00 . A 5 . C A 6 . N A 6 . CA A 6 . C parsed_2k2u 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.00 167.00 . A 6 . N A 6 . CA A 6 . C A 7 . N parsed_2k2u 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.83 -79.55 . A 6 . C A 7 . N A 7 . CA A 7 . C parsed_2k2u 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.77 164.49 . A 7 . N A 7 . CA A 7 . C A 8 . N parsed_2k2u 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -137.91 -86.27 . A 7 . C A 8 . N A 8 . CA A 8 . C parsed_2k2u 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.58 141.68 . A 8 . N A 8 . CA A 8 . C A 9 . N parsed_2k2u 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.25 -101.71 . A 8 . C A 9 . N A 9 . CA A 9 . C parsed_2k2u 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.69 140.01 . A 9 . N A 9 . CA A 9 . C A 10 . N parsed_2k2u 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -147.69 -71.15 . A 11 . C A 12 . N A 12 . CA A 12 . C parsed_2k2u 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 87.0 187.0 . A 13 . N A 13 . CA A 13 . C A 14 . N parsed_2k2u 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.82 -102.28 . A 14 . C A 15 . N A 15 . CA A 15 . C parsed_2k2u 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.95 150.27 . A 15 . N A 15 . CA A 15 . C A 16 . N parsed_2k2u 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.54 -110.36 . A 15 . C A 16 . N A 16 . CA A 16 . C parsed_2k2u 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.92 148.04 . A 16 . N A 16 . CA A 16 . C A 17 . N parsed_2k2u 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.36 -84.38 . A 16 . C A 17 . N A 17 . CA A 17 . C parsed_2k2u 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.06 146.60 . A 17 . N A 17 . CA A 17 . C A 18 . N parsed_2k2u 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -131.93 -94.31 . A 17 . C A 18 . N A 18 . CA A 18 . C parsed_2k2u 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.14 134.10 . A 18 . N A 18 . CA A 18 . C A 19 . N parsed_2k2u 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.75 -116.91 . A 25 . C A 26 . N A 26 . CA A 26 . C parsed_2k2u 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 133.42 165.50 . A 26 . N A 26 . CA A 26 . C A 27 . N parsed_2k2u 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.72 -114.86 . A 26 . C A 27 . N A 27 . CA A 27 . C parsed_2k2u 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.42 146.06 . A 27 . N A 27 . CA A 27 . C A 28 . N parsed_2k2u 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -129.41 -108.05 . A 27 . C A 28 . N A 28 . CA A 28 . C parsed_2k2u 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.77 139.79 . A 28 . N A 28 . CA A 28 . C A 29 . N parsed_2k2u 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.16 -103.40 . A 28 . C A 29 . N A 29 . CA A 29 . C parsed_2k2u 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.99 141.05 . A 29 . N A 29 . CA A 29 . C A 30 . N parsed_2k2u 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.17 -95.25 . A 29 . C A 30 . N A 30 . CA A 30 . C parsed_2k2u 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99.81 160.29 . A 30 . N A 30 . CA A 30 . C A 31 . N parsed_2k2u 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.40 -51.56 . A 30 . C A 31 . N A 31 . CA A 31 . C parsed_2k2u 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.47 169.43 . A 31 . N A 31 . CA A 31 . C A 32 . N parsed_2k2u 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -163.43 -94.91 . A 37 . C A 38 . N A 38 . CA A 38 . C parsed_2k2u 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.98 146.28 . A 38 . N A 38 . CA A 38 . C A 39 . N parsed_2k2u 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136.66 -82.12 . A 38 . C A 39 . N A 39 . CA A 39 . C parsed_2k2u 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.03 139.25 . A 39 . N A 39 . CA A 39 . C A 40 . N parsed_2k2u 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.16 -93.56 . A 39 . C A 40 . N A 40 . CA A 40 . C parsed_2k2u 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.06 141.34 . A 40 . N A 40 . CA A 40 . C A 41 . N parsed_2k2u 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.96 -51.42 . A 41 . C A 42 . N A 42 . CA A 42 . C parsed_2k2u 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44.53 -11.53 . A 42 . N A 42 . CA A 42 . C A 43 . N parsed_2k2u 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.10 -62.78 . A 43 . C A 44 . N A 44 . CA A 44 . C parsed_2k2u 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.85 20.79 . A 44 . N A 44 . CA A 44 . C A 45 . N parsed_2k2u 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -157.84 -103.68 . A 47 . C A 48 . N A 48 . CA A 48 . C parsed_2k2u 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.15 157.01 . A 48 . N A 48 . CA A 48 . C A 49 . N parsed_2k2u 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.10 -104.60 . A 48 . C A 49 . N A 49 . CA A 49 . C parsed_2k2u 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.73 164.87 . A 49 . N A 49 . CA A 49 . C A 50 . N parsed_2k2u 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.54 -108.86 . A 49 . C A 50 . N A 50 . CA A 50 . C parsed_2k2u 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.76 164.26 . A 50 . N A 50 . CA A 50 . C A 51 . N parsed_2k2u 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.27 -80.57 . A 50 . C A 51 . N A 51 . CA A 51 . C parsed_2k2u 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.34 166.28 . A 51 . N A 51 . CA A 51 . C A 52 . N parsed_2k2u 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 128.61 162.43 . A 52 . N A 52 . CA A 52 . C A 53 . N parsed_2k2u 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -143.47 -47.11 . A 54 . C A 55 . N A 55 . CA A 55 . C parsed_2k2u 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 91.24 169.72 . A 55 . N A 55 . CA A 55 . C A 56 . N parsed_2k2u 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -163.33 -107.23 . A 58 . C A 59 . N A 59 . CA A 59 . C parsed_2k2u 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 134.20 176.44 . A 59 . N A 59 . CA A 59 . C A 60 . N parsed_2k2u 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -144.53 -122.43 . A 59 . C A 60 . N A 60 . CA A 60 . C parsed_2k2u 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 132.66 159.90 . A 60 . N A 60 . CA A 60 . C A 61 . N parsed_2k2u 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -157.63 -116.29 . A 60 . C A 61 . N A 61 . CA A 61 . C parsed_2k2u 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.28 142.52 . A 61 . N A 61 . CA A 61 . C A 62 . N parsed_2k2u 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.91 -87.63 . A 61 . C A 62 . N A 62 . CA A 62 . C parsed_2k2u 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.35 135.89 . A 62 . N A 62 . CA A 62 . C A 63 . N parsed_2k2u 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.29 -88.97 . A 62 . C A 63 . N A 63 . CA A 63 . C parsed_2k2u 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.19 144.47 . A 63 . N A 63 . CA A 63 . C A 64 . N parsed_2k2u 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.78 -51.50 . A 67 . C A 68 . N A 68 . CA A 68 . C parsed_2k2u 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.36 -11.94 . A 68 . N A 68 . CA A 68 . C A 69 . N parsed_2k2u 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -144.70 -64.68 . A 71 . C A 72 . N A 72 . CA A 72 . C parsed_2k2u 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.55 170.87 . A 72 . N A 72 . CA A 72 . C A 73 . N parsed_2k2u 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.37 -80.41 . A 72 . C A 73 . N A 73 . CA A 73 . C parsed_2k2u 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96.76 165.92 . A 73 . N A 73 . CA A 73 . C A 74 . N parsed_2k2u 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.69 -64.83 . A 75 . C A 76 . N A 76 . CA A 76 . C parsed_2k2u 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.09 11.81 . A 76 . N A 76 . CA A 76 . C A 77 . N parsed_2k2u 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.18 -78.00 . A 79 . C A 80 . N A 80 . CA A 80 . C parsed_2k2u 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.49 155.67 . A 80 . N A 80 . CA A 80 . C A 81 . N parsed_2k2u 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.85 -63.93 . A 82 . C A 83 . N A 83 . CA A 83 . C parsed_2k2u 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.72 179.50 . A 83 . N A 83 . CA A 83 . C A 84 . N parsed_2k2u 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.50 -56.10 . A 83 . C A 84 . N A 84 . CA A 84 . C parsed_2k2u 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.70 157.12 . A 84 . N A 84 . CA A 84 . C A 85 . N parsed_2k2u 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -134.50 -71.50 . A 84 . C A 85 . N A 85 . CA A 85 . C parsed_2k2u 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.50 141.50 . A 85 . N A 85 . CA A 85 . C A 86 . N parsed_2k2u 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -167.73 -82.07 . A 85 . C A 86 . N A 86 . CA A 86 . C parsed_2k2u 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.93 171.17 . A 86 . N A 86 . CA A 86 . C A 87 . N parsed_2k2u 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -147.22 -107.96 . A 86 . C A 87 . N A 87 . CA A 87 . C parsed_2k2u 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 119.23 150.09 . A 87 . N A 87 . CA A 87 . C A 88 . N parsed_2k2u 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -134.52 -105.78 . A 87 . C A 88 . N A 88 . CA A 88 . C parsed_2k2u 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.73 152.19 . A 88 . N A 88 . CA A 88 . C A 89 . N parsed_2k2u 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.78 -95.60 . A 88 . C A 89 . N A 89 . CA A 89 . C parsed_2k2u 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.49 160.01 . A 89 . N A 89 . CA A 89 . C A 90 . N parsed_2k2u 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -142.37 -92.65 . A 89 . C A 90 . N A 90 . CA A 90 . C parsed_2k2u 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.33 157.67 . A 90 . N A 90 . CA A 90 . C A 91 . N parsed_2k2u 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -162.81 -99.69 . A 90 . C A 91 . N A 91 . CA A 91 . C parsed_2k2u 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 128.11 170.83 . A 91 . N A 91 . CA A 91 . C A 92 . N parsed_2k2u 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.30 -46.76 . A 93 . C A 94 . N A 94 . CA A 94 . C parsed_2k2u 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.53 -15.35 . A 94 . N A 94 . CA A 94 . C A 95 . N parsed_2k2u 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.94 -50.22 . A 94 . C A 95 . N A 95 . CA A 95 . C parsed_2k2u 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.10 -25.06 . A 95 . N A 95 . CA A 95 . C A 96 . N parsed_2k2u 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.65 -55.61 . A 95 . C A 96 . N A 96 . CA A 96 . C parsed_2k2u 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.98 -38.24 . A 96 . N A 96 . CA A 96 . C A 97 . N parsed_2k2u 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.92 -55.10 . A 96 . C A 97 . N A 97 . CA A 97 . C parsed_2k2u 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.79 -38.75 . A 97 . N A 97 . CA A 97 . C A 98 . N parsed_2k2u 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.39 -54.59 . A 97 . C A 98 . N A 98 . CA A 98 . C parsed_2k2u 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.05 -22.13 . A 98 . N A 98 . CA A 98 . C A 99 . N parsed_2k2u 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.05 -53.25 . A 98 . C A 99 . N A 99 . CA A 99 . C parsed_2k2u 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.62 -29.08 . A 99 . N A 99 . CA A 99 . C A 100 . N parsed_2k2u 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.86 -58.50 . A 99 . C A 100 . N A 100 . CA A 100 . C parsed_2k2u 1
111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.29 -33.25 . A 100 . N A 100 . CA A 100 . C A 101 . N parsed_2k2u 1
112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.10 -54.62 . A 100 . C A 101 . N A 101 . CA A 101 . C parsed_2k2u 1
113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.10 -34.96 . A 101 . N A 101 . CA A 101 . C A 102 . N parsed_2k2u 1
114 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.37 -55.47 . A 101 . C A 102 . N A 102 . CA A 102 . C parsed_2k2u 1
115 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.65 -23.23 . A 102 . N A 102 . CA A 102 . C A 103 . N parsed_2k2u 1
116 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.27 -56.95 . A 102 . C A 103 . N A 103 . CA A 103 . C parsed_2k2u 1
117 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.87 -31.47 . A 103 . N A 103 . CA A 103 . C A 104 . N parsed_2k2u 1
118 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.24 -57.24 . A 103 . C A 104 . N A 104 . CA A 104 . C parsed_2k2u 1
119 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.07 -34.81 . A 104 . N A 104 . CA A 104 . C A 105 . N parsed_2k2u 1
120 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.57 -57.19 . A 104 . C A 105 . N A 105 . CA A 105 . C parsed_2k2u 1
121 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.99 -30.49 . A 105 . N A 105 . CA A 105 . C A 106 . N parsed_2k2u 1
122 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.87 -56.13 . A 105 . C A 106 . N A 106 . CA A 106 . C parsed_2k2u 1
123 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.65 -26.65 . A 106 . N A 106 . CA A 106 . C A 107 . N parsed_2k2u 1
124 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.08 -56.84 . A 106 . C A 107 . N A 107 . CA A 107 . C parsed_2k2u 1
125 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.80 -40.38 . A 107 . N A 107 . CA A 107 . C A 108 . N parsed_2k2u 1
126 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.03 -53.67 . A 107 . C A 108 . N A 108 . CA A 108 . C parsed_2k2u 1
127 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.63 -36.43 . A 108 . N A 108 . CA A 108 . C A 109 . N parsed_2k2u 1
128 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.33 -54.65 . A 108 . C A 109 . N A 109 . CA A 109 . C parsed_2k2u 1
129 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.62 -36.34 . A 109 . N A 109 . CA A 109 . C A 110 . N parsed_2k2u 1
130 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.50 -54.00 . A 109 . C A 110 . N A 110 . CA A 110 . C parsed_2k2u 1
131 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.47 -18.55 . A 110 . N A 110 . CA A 110 . C A 111 . N parsed_2k2u 1
132 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -107.80 -56.38 . A 110 . C A 111 . N A 111 . CA A 111 . C parsed_2k2u 1
133 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.27 11.01 . A 111 . N A 111 . CA A 111 . C A 112 . N parsed_2k2u 1
134 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.13 -49.03 . A 111 . C A 112 . N A 112 . CA A 112 . C parsed_2k2u 1
135 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.81 -17.13 . A 112 . N A 112 . CA A 112 . C A 113 . N parsed_2k2u 1
136 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.15 -51.81 . A 113 . C A 114 . N A 114 . CA A 114 . C parsed_2k2u 1
137 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.50 -62.50 . B 469 . C B 470 . N B 470 . CA B 470 . C parsed_2k2u 1
138 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.00 14.00 . B 470 . N B 470 . CA B 470 . C B 471 . N parsed_2k2u 1
139 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -46.00 . B 470 . C B 471 . N B 471 . CA B 471 . C parsed_2k2u 1
140 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.50 25.50 . B 471 . N B 471 . CA B 471 . C B 472 . N parsed_2k2u 1
141 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.50 -49.50 . B 471 . C B 472 . N B 472 . CA B 472 . C parsed_2k2u 1
142 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.50 4.50 . B 472 . N B 472 . CA B 472 . C B 473 . N parsed_2k2u 1
143 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.50 -46.50 . B 472 . C B 473 . N B 473 . CA B 473 . C parsed_2k2u 1
144 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.00 -20.00 . B 473 . N B 473 . CA B 473 . C B 474 . N parsed_2k2u 1
145 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.00 -57.00 . B 473 . C B 474 . N B 474 . CA B 474 . C parsed_2k2u 1
146 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.00 -32.00 . B 474 . N B 474 . CA B 474 . C B 475 . N parsed_2k2u 1
147 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.00 -46.00 . B 474 . C B 475 . N B 475 . CA B 475 . C parsed_2k2u 1
148 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.50 -23.50 . B 475 . N B 475 . CA B 475 . C B 476 . N parsed_2k2u 1
149 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.50 -54.50 . B 475 . C B 476 . N B 476 . CA B 476 . C parsed_2k2u 1
150 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.00 -21.00 . B 476 . N B 476 . CA B 476 . C B 477 . N parsed_2k2u 1
151 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.50 -48.50 . B 476 . C B 477 . N B 477 . CA B 477 . C parsed_2k2u 1
152 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.50 -11.50 . B 477 . N B 477 . CA B 477 . C B 478 . N parsed_2k2u 1
153 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -52.00 . B 477 . C B 478 . N B 478 . CA B 478 . C parsed_2k2u 1
154 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.00 20.00 . B 478 . N B 478 . CA B 478 . C B 479 . N parsed_2k2u 1
155 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.00 -72.00 . B 478 . C B 479 . N B 479 . CA B 479 . C parsed_2k2u 1
156 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.00 20.00 . B 479 . N B 479 . CA B 479 . C B 480 . N parsed_2k2u 1
157 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.00 -122.00 . B 479 . C B 480 . N B 480 . CA B 480 . C parsed_2k2u 1
158 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104.50 179.50 . B 480 . N B 480 . CA B 480 . C B 481 . N parsed_2k2u 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 "S 2 Phi Psi" 1 1 1 16 parsed_2k2u 1
2 "H 3 Phi Psi" 6 1 6 16 parsed_2k2u 1
3 "S 4 Phi Psi" 11 1 11 16 parsed_2k2u 1
4 "G 5 Phi Psi" 16 1 16 16 parsed_2k2u 1
5 "A 6 Phi Psi" 21 1 21 16 parsed_2k2u 1
6 "A 7 Phi Psi" 27 1 27 16 parsed_2k2u 1
7 "I 8 Phi Psi" 32 1 32 16 parsed_2k2u 1
8 "F 9 Phi Psi" 37 1 37 16 parsed_2k2u 1
9 "V 12 Phi Psi" 42 1 42 16 parsed_2k2u 1
10
;
assign (segid A and resid 12 and name N) (segid A and resid 12 and name CA)
(segid A and resid 12 and name C) (segid A and resid 13 and name N) 1.0 130.0 50.0 2 !not talos
S 13 Phi Psi
assign (segid A and resid 12 and name C ) (segid A and resid 13 and name N)
(segid A and resid 13 and name CA) (segid A and resid 13 and name C) 1.0 -90.76 90.0 2 !not talos
;
45 1 49 112 parsed_2k2u 1
11
;
not talos
I 15 Phi Psi
;
51 100 52 16 parsed_2k2u 1
12 "I 16 Phi Psi" 57 1 57 16 parsed_2k2u 1
13 "A 17 Phi Psi" 62 1 62 16 parsed_2k2u 1
14 "I 18 Phi Psi" 67 1 67 16 parsed_2k2u 1
15 "E 26 Phi Psi" 72 1 72 16 parsed_2k2u 1
16 "L 27 Phi Psi" 77 1 77 16 parsed_2k2u 1
17 "T 28 Phi Psi" 82 1 82 16 parsed_2k2u 1
18 "W 29 Phi Psi" 87 1 87 16 parsed_2k2u 1
19 "R 30 Phi Psi" 92 1 92 16 parsed_2k2u 1
20 "S 31 Phi Psi" 97 1 97 16 parsed_2k2u 1
21 "H 38 Phi Psi" 102 1 102 16 parsed_2k2u 1
22 "T 39 Phi Psi" 107 1 107 16 parsed_2k2u 1
23 "V 40 Phi Psi" 112 1 112 16 parsed_2k2u 1
24 "L 42 Phi Psi" 117 1 117 16 parsed_2k2u 1
25 "T 44 Phi Psi" 122 1 122 16 parsed_2k2u 1
26 "L 48 Phi Psi" 127 1 127 16 parsed_2k2u 1
27 "Q 49 Phi Psi" 132 1 132 16 parsed_2k2u 1
28 "A 50 Phi Psi" 137 1 137 16 parsed_2k2u 1
29 "T 51 Phi Psi" 142 1 142 16 parsed_2k2u 1
30
;
P 52 Phi Psi
assign (segid A and resid 51 and name C ) (segid A and resid 52 and name N)
(segid A and resid 52 and name CA) (segid A and resid 52 and name C) 1.0 -62.54 7.20 2
;
147 1 149 102 parsed_2k2u 1
31 "S 55 Phi Psi" 152 1 152 16 parsed_2k2u 1
32 "M 59 Phi Psi" 157 1 157 16 parsed_2k2u 1
33 "L 60 Phi Psi" 162 1 162 16 parsed_2k2u 1
34 "R 61 Phi Psi" 167 1 167 16 parsed_2k2u 1
35 "L 62 Phi Psi" 172 1 172 16 parsed_2k2u 1
36 "I 63 Phi Psi" 177 1 177 16 parsed_2k2u 1
37 "E 68 Phi Psi" 182 1 182 16 parsed_2k2u 1
38 "R 72 Phi Psi" 187 1 187 16 parsed_2k2u 1
39 "K 73 Phi Psi" 192 1 192 16 parsed_2k2u 1
40 "E 76 Phi Psi" 197 1 197 16 parsed_2k2u 1
41 "V 80 Phi Psi" 202 1 202 16 parsed_2k2u 1
42 "K 83 Phi Psi" 207 1 207 16 parsed_2k2u 1
43 "P 84 Phi Psi" 212 1 212 16 parsed_2k2u 1
44 "Q 85 Phi Psi" 217 1 217 16 parsed_2k2u 1
45 "R 86 Phi Psi" 222 1 222 16 parsed_2k2u 1
46 "H 87 Phi Psi" 227 1 227 16 parsed_2k2u 1
47 "M 88 Phi Psi" 232 1 232 16 parsed_2k2u 1
48 "F 89 Phi Psi" 237 1 237 16 parsed_2k2u 1
49 "S 90 Phi Psi" 242 1 242 16 parsed_2k2u 1
50 "F 91 Phi Psi" 247 1 247 16 parsed_2k2u 1
51 "R 94 Phi Psi" 252 1 252 16 parsed_2k2u 1
52 "T 95 Phi Psi" 257 1 257 16 parsed_2k2u 1
53 "V 96 Phi Psi" 262 1 262 16 parsed_2k2u 1
54 "M 97 Phi Psi" 267 1 267 16 parsed_2k2u 1
55 "D 98 Phi Psi" 272 1 272 16 parsed_2k2u 1
56 "N 99 Phi Psi" 277 1 277 16 parsed_2k2u 1
57 "I 100 Phi Psi" 282 1 282 16 parsed_2k2u 1
58 "K 101 Phi Psi" 287 1 287 16 parsed_2k2u 1
59 "M 102 Phi Psi" 292 1 292 16 parsed_2k2u 1
60 "T 103 Phi Psi" 297 1 297 16 parsed_2k2u 1
61 "L 104 Phi Psi" 302 1 302 16 parsed_2k2u 1
62 "Q 105 Phi Psi" 307 1 307 16 parsed_2k2u 1
63 "Q 106 Phi Psi" 312 1 312 16 parsed_2k2u 1
64 "I 107 Phi Psi" 317 1 317 16 parsed_2k2u 1
65 "I 108 Phi Psi" 322 1 322 16 parsed_2k2u 1
66 "S 109 Phi Psi" 327 1 327 16 parsed_2k2u 1
67 "R 110 Phi Psi" 332 1 332 16 parsed_2k2u 1
68 "Y 111 Phi Psi" 337 1 337 16 parsed_2k2u 1
69 "K 112 Phi Psi" 342 1 342 16 parsed_2k2u 1
70 "A 114 Phi Psi" 347 1 347 16 parsed_2k2u 1
71
;
assign (segid A and resid 114 and name N) (segid A and resid 114 and name CA)
(segid A and resid 114 and name C) (segid A and resid 115 and name N) 1.0 -23.73 44.61 2
B
M 470 Phi Psi
;
350 1 356 17 parsed_2k2u 1
72 "A 471 Phi Psi" 361 1 361 17 parsed_2k2u 1
73 "D 472 Phi Psi" 366 1 366 17 parsed_2k2u 1
74 "F 473 Phi Psi" 371 1 371 17 parsed_2k2u 1
75 "E 474 Phi Psi" 376 1 376 17 parsed_2k2u 1
76 "F 475 Phi Psi" 381 1 381 17 parsed_2k2u 1
77 "E 476 Phi Psi" 386 1 386 17 parsed_2k2u 1
78 "Q 477 Phi Psi" 391 1 391 17 parsed_2k2u 1
79 "M 478 Phi Psi" 396 1 396 17 parsed_2k2u 1
80 "F 479 Phi Psi" 401 1 401 16 parsed_2k2u 1
81 "T 480 Phi Psi" 406 1 406 17 parsed_2k2u 1
stop_
save_
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