NMR Restraints Grid
| |
NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
274257 |
2kj4   |
16311 | cing | 2-parsed | STAR | dihedral angle | 142 |
data_2kj4_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2kj4
_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_2kj4 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2kj4
_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 2kj4 "Master copy" parsed_2kj4
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2kj4
_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 2kj4.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kj4 1
1 2kj4.mr . . XPLOR/CNS 2 distance NOE simple 1768 parsed_2kj4 1
1 2kj4.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 60 parsed_2kj4 1
1 2kj4.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 142 parsed_2kj4 1
1 2kj4.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kj4 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2kj4
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 4
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -168.00 -108.00 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_2kj4 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -166.00 -96.00 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_2kj4 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -60.00 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_2kj4 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.00 -48.00 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_2kj4 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -118.00 -78.00 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_2kj4 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101.00 -41.00 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_2kj4 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109.00 -69.00 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_2kj4 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.00 -42.00 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_2kj4 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.00 -112.00 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_2kj4 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -60.00 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_2kj4 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.00 -43.00 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_2kj4 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -123.00 -63.00 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_2kj4 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 72.00 112.00 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_2kj4 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -114.00 -54.00 . . 27 . C . 28 . N . 28 . CA . 28 . C parsed_2kj4 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101.00 -61.00 . . 29 . C . 30 . N . 30 . CA . 30 . C parsed_2kj4 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.00 -59.00 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_2kj4 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.00 -45.00 . . 31 . C . 32 . N . 32 . CA . 32 . C parsed_2kj4 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109.00 -49.00 . . 32 . C . 33 . N . 33 . CA . 33 . C parsed_2kj4 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.00 -93.00 . . 35 . C . 36 . N . 36 . CA . 36 . C parsed_2kj4 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.00 -75.00 . . 41 . C . 42 . N . 42 . CA . 42 . C parsed_2kj4 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -114.00 -74.00 . . 42 . C . 43 . N . 43 . CA . 43 . C parsed_2kj4 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.00 -46.00 . . 44 . C . 45 . N . 45 . CA . 45 . C parsed_2kj4 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -103.00 -63.00 . . 45 . C . 46 . N . 46 . CA . 46 . C parsed_2kj4 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.00 -106.00 . . 46 . C . 47 . N . 47 . CA . 47 . C parsed_2kj4 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.00 -39.00 . . 47 . C . 48 . N . 48 . CA . 48 . C parsed_2kj4 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -103.00 -63.00 . . 48 . C . 49 . N . 49 . CA . 49 . C parsed_2kj4 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -118.00 -78.00 . . 49 . C . 50 . N . 50 . CA . 50 . C parsed_2kj4 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 42.00 82.00 . . 50 . C . 51 . N . 51 . CA . 51 . C parsed_2kj4 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.00 -36.00 . . 51 . C . 52 . N . 52 . CA . 52 . C parsed_2kj4 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.00 -90.00 . . 52 . C . 53 . N . 53 . CA . 53 . C parsed_2kj4 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 -80.00 . . 55 . C . 56 . N . 56 . CA . 56 . C parsed_2kj4 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -142.00 -82.00 . . 58 . C . 59 . N . 59 . CA . 59 . C parsed_2kj4 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 32.00 92.00 . . 61 . C . 62 . N . 62 . CA . 62 . C parsed_2kj4 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.00 -49.00 . . 63 . C . 64 . N . 64 . CA . 64 . C parsed_2kj4 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -90.00 . . 66 . C . 67 . N . 67 . CA . 67 . C parsed_2kj4 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.00 -112.00 . . 67 . C . 68 . N . 68 . CA . 68 . C parsed_2kj4 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -127.00 -77.00 . . 68 . C . 69 . N . 69 . CA . 69 . C parsed_2kj4 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -116.00 -66.00 . . 71 . C . 72 . N . 72 . CA . 72 . C parsed_2kj4 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.00 -33.00 . . 72 . C . 73 . N . 73 . CA . 73 . C parsed_2kj4 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -122.00 -82.00 . . 74 . C . 75 . N . 75 . CA . 75 . C parsed_2kj4 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.00 -54.00 . . 75 . C . 76 . N . 76 . CA . 76 . C parsed_2kj4 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.00 -114.00 . . 76 . C . 77 . N . 77 . CA . 77 . C parsed_2kj4 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.00 -108.00 . . 77 . C . 78 . N . 78 . CA . 78 . C parsed_2kj4 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -103.00 -63.00 . . 78 . C . 79 . N . 79 . CA . 79 . C parsed_2kj4 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -157.00 -107.00 . . 79 . C . 80 . N . 80 . CA . 80 . C parsed_2kj4 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -129.00 -89.00 . . 80 . C . 81 . N . 81 . CA . 81 . C parsed_2kj4 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -124.00 -74.00 . . 81 . C . 82 . N . 82 . CA . 82 . C parsed_2kj4 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -122.00 -62.00 . . 83 . C . 84 . N . 84 . CA . 84 . C parsed_2kj4 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.00 -75.00 . . 84 . C . 85 . N . 85 . CA . 85 . C parsed_2kj4 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 129.00 189.00 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_2kj4 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.00 168.00 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_2kj4 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -43.00 -3.00 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_2kj4 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.00 -5.00 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_2kj4 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -22.00 18.00 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_2kj4 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.00 155.00 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_2kj4 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135.00 175.00 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_2kj4 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.00 148.00 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_2kj4 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.00 167.00 . . 22 . N . 22 . CA . 22 . C . 23 . N parsed_2kj4 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 142.00 192.00 . . 23 . N . 23 . CA . 23 . C . 24 . N parsed_2kj4 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.00 5.00 . . 24 . N . 24 . CA . 24 . C . 25 . N parsed_2kj4 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -18.00 22.00 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_2kj4 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -17.00 23.00 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_2kj4 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.00 145.00 . . 28 . N . 28 . CA . 28 . C . 29 . N parsed_2kj4 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.00 157.00 . . 30 . N . 30 . CA . 30 . C . 31 . N parsed_2kj4 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 98.00 138.00 . . 31 . N . 31 . CA . 31 . C . 32 . N parsed_2kj4 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.00 -11.00 . . 32 . N . 32 . CA . 32 . C . 33 . N parsed_2kj4 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.00 18.00 . . 33 . N . 33 . CA . 33 . C . 34 . N parsed_2kj4 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 91.00 151.00 . . 36 . N . 36 . CA . 36 . C . 37 . N parsed_2kj4 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 42.00 102.00 . . 42 . N . 42 . CA . 42 . C . 43 . N parsed_2kj4 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 126.00 176.00 . . 43 . N . 43 . CA . 43 . C . 44 . N parsed_2kj4 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.00 -10.00 . . 45 . N . 45 . CA . 45 . C . 46 . N parsed_2kj4 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.00 -7.00 . . 46 . N . 46 . CA . 46 . C . 47 . N parsed_2kj4 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 45.00 95.00 . . 47 . N . 47 . CA . 47 . C . 48 . N parsed_2kj4 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44.00 -4.00 . . 48 . N . 48 . CA . 48 . C . 49 . N parsed_2kj4 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -29.00 11.00 . . 49 . N . 49 . CA . 49 . C . 50 . N parsed_2kj4 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -8.00 32.00 . . 50 . N . 50 . CA . 50 . C . 51 . N parsed_2kj4 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 33.00 73.00 . . 51 . N . 51 . CA . 51 . C . 52 . N parsed_2kj4 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 59.00 99.00 . . 52 . N . 52 . CA . 52 . C . 53 . N parsed_2kj4 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 119.00 189.00 . . 53 . N . 53 . CA . 53 . C . 54 . N parsed_2kj4 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.00 160.00 . . 56 . N . 56 . CA . 56 . C . 57 . N parsed_2kj4 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 59.00 99.00 . . 59 . N . 59 . CA . 59 . C . 60 . N parsed_2kj4 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.00 60.00 . . 62 . N . 62 . CA . 62 . C . 63 . N parsed_2kj4 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44.00 -4.00 . . 64 . N . 64 . CA . 64 . C . 65 . N parsed_2kj4 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135.00 195.00 . . 67 . N . 67 . CA . 67 . C . 68 . N parsed_2kj4 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.00 185.00 . . 68 . N . 68 . CA . 68 . C . 69 . N parsed_2kj4 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.00 151.00 . . 69 . N . 69 . CA . 69 . C . 70 . N parsed_2kj4 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.00 166.00 . . 72 . N . 72 . CA . 72 . C . 73 . N parsed_2kj4 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.00 -7.00 . . 73 . N . 73 . CA . 73 . C . 74 . N parsed_2kj4 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.00 135.00 . . 75 . N . 75 . CA . 75 . C . 76 . N parsed_2kj4 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.00 -22.00 . . 76 . N . 76 . CA . 76 . C . 77 . N parsed_2kj4 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 137.00 177.00 . . 77 . N . 77 . CA . 77 . C . 78 . N parsed_2kj4 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135.00 175.00 . . 78 . N . 78 . CA . 78 . C . 79 . N parsed_2kj4 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.00 158.00 . . 79 . N . 79 . CA . 79 . C . 80 . N parsed_2kj4 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.00 167.00 . . 80 . N . 80 . CA . 80 . C . 81 . N parsed_2kj4 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 88.00 158.00 . . 81 . N . 81 . CA . 81 . C . 82 . N parsed_2kj4 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.00 145.00 . . 82 . N . 82 . CA . 82 . C . 83 . N parsed_2kj4 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.00 149.00 . . 84 . N . 84 . CA . 84 . C . 85 . N parsed_2kj4 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.00 184.00 . . 85 . N . 85 . CA . 85 . C . 86 . N parsed_2kj4 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.00 -39.00 . . 105 . C . 106 . N . 106 . CA . 106 . C parsed_2kj4 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.00 -45.00 . . 106 . C . 107 . N . 107 . CA . 107 . C parsed_2kj4 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.00 -46.00 . . 107 . C . 108 . N . 108 . CA . 108 . C parsed_2kj4 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.00 -46.00 . . 108 . C . 109 . N . 109 . CA . 109 . C parsed_2kj4 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.00 -44.00 . . 109 . C . 110 . N . 110 . CA . 110 . C parsed_2kj4 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.00 -45.00 . . 110 . C . 111 . N . 111 . CA . 111 . C parsed_2kj4 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.00 -47.00 . . 111 . C . 112 . N . 112 . CA . 112 . C parsed_2kj4 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.00 -46.00 . . 112 . C . 113 . N . 113 . CA . 113 . C parsed_2kj4 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.00 -47.00 . . 113 . C . 114 . N . 114 . CA . 114 . C parsed_2kj4 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.00 -41.00 . . 114 . C . 115 . N . 115 . CA . 115 . C parsed_2kj4 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.00 -45.00 . . 115 . C . 116 . N . 116 . CA . 116 . C parsed_2kj4 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.00 -47.00 . . 116 . C . 117 . N . 117 . CA . 117 . C parsed_2kj4 1
111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.00 -47.00 . . 117 . C . 118 . N . 118 . CA . 118 . C parsed_2kj4 1
112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -50.00 . . 118 . C . 119 . N . 119 . CA . 119 . C parsed_2kj4 1
113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.00 -45.00 . . 119 . C . 120 . N . 120 . CA . 120 . C parsed_2kj4 1
114 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.00 -39.00 . . 120 . C . 121 . N . 121 . CA . 121 . C parsed_2kj4 1
115 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.00 -47.00 . . 121 . C . 122 . N . 122 . CA . 122 . C parsed_2kj4 1
116 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.00 -42.00 . . 122 . C . 123 . N . 123 . CA . 123 . C parsed_2kj4 1
117 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.00 -49.00 . . 123 . C . 124 . N . 124 . CA . 124 . C parsed_2kj4 1
118 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.00 -44.00 . . 124 . C . 125 . N . 125 . CA . 125 . C parsed_2kj4 1
119 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.00 -58.00 . . 125 . C . 126 . N . 126 . CA . 126 . C parsed_2kj4 1
120 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.00 -57.00 . . 126 . C . 127 . N . 127 . CA . 127 . C parsed_2kj4 1
121 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.00 -18.00 . . 106 . N . 106 . CA . 106 . C . 107 . N parsed_2kj4 1
122 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -20.00 . . 107 . N . 107 . CA . 107 . C . 108 . N parsed_2kj4 1
123 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.00 -19.00 . . 108 . N . 108 . CA . 108 . C . 109 . N parsed_2kj4 1
124 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -20.00 . . 109 . N . 109 . CA . 109 . C . 110 . N parsed_2kj4 1
125 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -20.00 . . 110 . N . 110 . CA . 110 . C . 111 . N parsed_2kj4 1
126 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.00 -21.00 . . 111 . N . 111 . CA . 111 . C . 112 . N parsed_2kj4 1
127 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.00 -19.00 . . 112 . N . 112 . CA . 112 . C . 113 . N parsed_2kj4 1
128 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.00 -22.00 . . 113 . N . 113 . CA . 113 . C . 114 . N parsed_2kj4 1
129 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.00 -19.00 . . 114 . N . 114 . CA . 114 . C . 115 . N parsed_2kj4 1
130 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.00 -19.00 . . 115 . N . 115 . CA . 115 . C . 116 . N parsed_2kj4 1
131 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.00 -21.00 . . 116 . N . 116 . CA . 116 . C . 117 . N parsed_2kj4 1
132 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.00 -19.00 . . 117 . N . 117 . CA . 117 . C . 118 . N parsed_2kj4 1
133 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.00 -18.00 . . 118 . N . 118 . CA . 118 . C . 119 . N parsed_2kj4 1
134 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.00 -21.00 . . 119 . N . 119 . CA . 119 . C . 120 . N parsed_2kj4 1
135 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.00 -24.00 . . 120 . N . 120 . CA . 120 . C . 121 . N parsed_2kj4 1
136 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.00 -23.00 . . 121 . N . 121 . CA . 121 . C . 122 . N parsed_2kj4 1
137 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.00 -21.00 . . 122 . N . 122 . CA . 122 . C . 123 . N parsed_2kj4 1
138 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -20.00 . . 123 . N . 123 . CA . 123 . C . 124 . N parsed_2kj4 1
139 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.00 -19.00 . . 124 . N . 124 . CA . 124 . C . 125 . N parsed_2kj4 1
140 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -20.00 . . 125 . N . 125 . CA . 125 . C . 126 . N parsed_2kj4 1
141 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44.00 -4.00 . . 126 . N . 126 . CA . 126 . C . 127 . N parsed_2kj4 1
142 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.00 -7.00 . . 127 . N . 127 . CA . 127 . C . 128 . N parsed_2kj4 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 "M 9 Phi -131.00" 4 1 4 19 parsed_2kj4 1
2 "S 12 Phi -80.00" 9 1 9 20 parsed_2kj4 1
3 "E 14 Phi -68.00" 14 1 14 20 parsed_2kj4 1
4 "N 15 Phi -98.00" 19 1 19 20 parsed_2kj4 1
5 "Y 16 Phi -71.00" 24 1 24 20 parsed_2kj4 1
6 "G 18 Phi -89.00" 29 1 29 20 parsed_2kj4 1
7 "I 20 Phi -72.00" 34 1 34 20 parsed_2kj4 1
8 "K 22 Phi -132.00" 39 1 39 20 parsed_2kj4 1
9 "T 23 Phi -80.00" 44 1 44 20 parsed_2kj4 1
10 "M 24 Phi -63.00" 49 1 49 20 parsed_2kj4 1
11 "S 25 Phi -93.00" 54 1 54 20 parsed_2kj4 1
12 "G 26 Phi 92.00" 59 1 59 20 parsed_2kj4 1
13 "E 28 Phi -84.00" 64 1 64 20 parsed_2kj4 1
14 "Q 30 Phi -81.00" 69 1 69 20 parsed_2kj4 1
15 "A 31 Phi -79.00" 74 1 74 20 parsed_2kj4 1
16 "W 32 Phi -70.00" 79 1 79 20 parsed_2kj4 1
17 "D 33 Phi -79.00" 84 1 84 20 parsed_2kj4 1
18 "S 36 Phi -123.00" 89 1 89 20 parsed_2kj4 1
19 "Y 42 Phi -95.00" 94 1 94 20 parsed_2kj4 1
20 "I 43 Phi -94.00" 99 1 99 20 parsed_2kj4 1
21 "S 45 Phi -66.00" 104 1 104 20 parsed_2kj4 1
22 "K 46 Phi -83.00" 109 1 109 20 parsed_2kj4 1
23 "F 47 Phi -126.00" 113 1 113 20 parsed_2kj4 1
24 "P 48 Phi -59.00" 118 1 118 20 parsed_2kj4 1
25 "N 49 Phi -83.00" 123 1 123 20 parsed_2kj4 1
26 "K 50 Phi -98.00" 128 1 128 20 parsed_2kj4 1
27 "N 51 Phi 62.00" 133 1 133 20 parsed_2kj4 1
28 "L 52 Phi -56.00" 138 1 138 20 parsed_2kj4 1
29 "K 53 Phi -125.00" 143 1 143 20 parsed_2kj4 1
30 "Y 56 Phi -100.00" 148 1 148 20 parsed_2kj4 1
31 "N 59 Phi -112.00" 153 1 153 20 parsed_2kj4 1
32 "R 62 Phi 62.00" 158 1 158 20 parsed_2kj4 1
33 "L 64 Phi -69.00" 163 1 163 20 parsed_2kj4 1
34 "W 67 Phi -130.00" 168 1 168 20 parsed_2kj4 1
35 "C 68 Phi -142.00" 173 1 173 20 parsed_2kj4 1
36 "F 69 Phi -102.00" 178 1 178 20 parsed_2kj4 1
37 "D 72 Phi -91.00" 183 1 183 20 parsed_2kj4 1
38 "P 73 Phi -58.00" 188 1 188 20 parsed_2kj4 1
39 "K 75 Phi -102.00" 193 1 193 20 parsed_2kj4 1
40 "R 76 Phi -74.00" 198 1 198 20 parsed_2kj4 1
41 "W 77 Phi -139.00" 203 1 203 20 parsed_2kj4 1
42 "E 78 Phi -133.00" 208 1 208 20 parsed_2kj4 1
43 "Y 79 Phi -83.00" 213 1 213 20 parsed_2kj4 1
44 "C 80 Phi -132.00" 218 1 218 20 parsed_2kj4 1
45 "D 81 Phi -109.00" 223 1 223 20 parsed_2kj4 1
46 "I 82 Phi -99.00" 228 1 228 20 parsed_2kj4 1
47 "R 84 Phi -92.00" 233 1 233 20 parsed_2kj4 1
48 "C 85 Phi -115.00" 238 1 238 20 parsed_2kj4 1
49 "C 8 Psi 159.00" 244 1 244 19 parsed_2kj4 1
50 "M 9 Psi 143.00" 249 1 249 19 parsed_2kj4 1
51 "S 12 Psi -23.00" 254 1 254 20 parsed_2kj4 1
52 "E 14 Psi -25.00" 259 1 259 20 parsed_2kj4 1
53 "N 15 Psi -2.00" 264 1 264 20 parsed_2kj4 1
54 "Y 16 Psi 130.00" 269 1 269 20 parsed_2kj4 1
55 "G 18 Psi 155.00" 274 1 274 20 parsed_2kj4 1
56 "I 20 Psi 128.00" 279 1 279 20 parsed_2kj4 1
57 "K 22 Psi 147.00" 284 1 284 20 parsed_2kj4 1
58 "T 23 Psi 167.00" 289 1 289 20 parsed_2kj4 1
59 "M 24 Psi -20.00" 294 1 294 20 parsed_2kj4 1
60 "S 25 Psi 2.00" 299 1 299 20 parsed_2kj4 1
61 "G 26 Psi 3.00" 304 1 304 20 parsed_2kj4 1
62 "E 28 Psi 125.00" 309 1 309 20 parsed_2kj4 1
63 "Q 30 Psi 137.00" 314 1 314 20 parsed_2kj4 1
64 "A 31 Psi 118.00" 319 1 319 20 parsed_2kj4 1
65 "W 32 Psi -31.00" 324 1 324 20 parsed_2kj4 1
66 "D 33 Psi -12.00" 329 1 329 20 parsed_2kj4 1
67 "S 36 Psi 121.00" 334 1 334 20 parsed_2kj4 1
68 "Y 42 Psi 72.00" 339 1 339 20 parsed_2kj4 1
69 "I 43 Psi 151.00" 344 1 344 20 parsed_2kj4 1
70 "S 45 Psi -30.00" 349 1 349 20 parsed_2kj4 1
71 "K 46 Psi -32.00" 354 1 354 20 parsed_2kj4 1
72 "F 47 Psi 70.00" 359 1 359 20 parsed_2kj4 1
73 "P 48 Psi -24.00" 364 1 364 20 parsed_2kj4 1
74 "N 49 Psi -9.00" 369 1 369 20 parsed_2kj4 1
75 "K 50 Psi 12.00" 374 1 374 20 parsed_2kj4 1
76 "N 51 Psi 53.00" 379 1 379 20 parsed_2kj4 1
77 "L 52 Psi 79.00" 384 1 384 20 parsed_2kj4 1
78 "K 53 Psi 154.00" 389 1 389 20 parsed_2kj4 1
79 "Y 56 Psi 140.00" 394 1 394 20 parsed_2kj4 1
80 "N 59 Psi 79.00" 399 1 399 20 parsed_2kj4 1
81 "R 62 Psi 40.00" 404 1 404 20 parsed_2kj4 1
82 "L 64 Psi -24.00" 409 1 409 20 parsed_2kj4 1
83 "W 67 Psi 165.00" 414 1 414 20 parsed_2kj4 1
84 "C 68 Psi 155.00" 419 1 419 20 parsed_2kj4 1
85 "F 69 Psi 126.00" 424 1 424 20 parsed_2kj4 1
86 "D 72 Psi 141.00" 429 1 429 20 parsed_2kj4 1
87 "P 73 Psi -27.00" 434 1 434 20 parsed_2kj4 1
88 "K 75 Psi 115.00" 439 1 439 20 parsed_2kj4 1
89 "R 76 Psi -42.00" 444 1 444 20 parsed_2kj4 1
90 "W 77 Psi 157.00" 449 1 449 20 parsed_2kj4 1
91 "E 78 Psi 155.00" 454 1 454 20 parsed_2kj4 1
92 "Y 79 Psi 133.00" 459 1 459 20 parsed_2kj4 1
93 "C 80 Psi 147.00" 464 1 464 20 parsed_2kj4 1
94 "D 81 Psi 123.00" 469 1 469 20 parsed_2kj4 1
95 "I 82 Psi 120.00" 474 1 474 20 parsed_2kj4 1
96 "R 84 Psi 119.00" 479 1 479 20 parsed_2kj4 1
97 "C 85 Psi 149.00" 484 1 484 20 parsed_2kj4 1
98 "A 106 Phi -59.00" 489 1 489 21 parsed_2kj4 1
99 "D 107 Phi -65.00" 494 1 494 21 parsed_2kj4 1
100 "A 108 Phi -66.00" 499 1 499 21 parsed_2kj4 1
101 "E 109 Phi -66.00" 504 1 504 21 parsed_2kj4 1
102 "L 110 Phi -64.00" 509 1 509 21 parsed_2kj4 1
103 "Q 111 Phi -65.00" 514 1 514 21 parsed_2kj4 1
104 "R 112 Phi -67.00" 519 1 519 21 parsed_2kj4 1
105 "L 113 Phi -66.00" 524 1 524 21 parsed_2kj4 1
106 "K 114 Phi -67.00" 529 1 529 21 parsed_2kj4 1
107 "N 115 Phi -61.00" 534 1 534 21 parsed_2kj4 1
108 "E 116 Phi -65.00" 539 1 539 21 parsed_2kj4 1
109 "R 117 Phi -67.00" 544 1 544 21 parsed_2kj4 1
110 "H 118 Phi -67.00" 549 1 549 21 parsed_2kj4 1
111 "E 119 Phi -70.00" 554 1 554 21 parsed_2kj4 1
112 "E 120 Phi -65.00" 559 1 559 21 parsed_2kj4 1
113 "A 121 Phi -59.00" 564 1 564 21 parsed_2kj4 1
114 "E 122 Phi -67.00" 569 1 569 21 parsed_2kj4 1
115 "L 123 Phi -62.00" 574 1 574 21 parsed_2kj4 1
116 "E 124 Phi -69.00" 579 1 579 21 parsed_2kj4 1
117 "R 125 Phi -64.00" 584 1 584 21 parsed_2kj4 1
118 "L 126 Phi -78.00" 589 1 589 21 parsed_2kj4 1
119 "K 127 Phi -77.00" 594 1 594 21 parsed_2kj4 1
120 "A 106 Psi -38.00" 602 1 602 21 parsed_2kj4 1
121 "D 107 Psi -40.00" 607 1 607 21 parsed_2kj4 1
122 "A 108 Psi -39.00" 612 1 612 21 parsed_2kj4 1
123 "E 109 Psi -40.00" 617 1 617 21 parsed_2kj4 1
124 "L 110 Psi -40.00" 622 1 622 21 parsed_2kj4 1
125 "Q 111 Psi -41.00" 627 1 627 21 parsed_2kj4 1
126 "R 112 Psi -39.00" 632 1 632 21 parsed_2kj4 1
127 "L 113 Psi -42.00" 637 1 637 21 parsed_2kj4 1
128 "K 114 Psi -39.00" 642 1 642 21 parsed_2kj4 1
129 "N 115 Psi -39.00" 647 1 647 21 parsed_2kj4 1
130 "E 116 Psi -41.00" 652 1 652 21 parsed_2kj4 1
131 "R 117 Psi -39.00" 657 1 657 21 parsed_2kj4 1
132 "H 118 Psi -38.00" 662 1 662 21 parsed_2kj4 1
133 "E 119 Psi -41.00" 667 1 667 21 parsed_2kj4 1
134 "E 120 Psi -44.00" 672 1 672 21 parsed_2kj4 1
135 "A 121 Psi -43.00" 677 1 677 21 parsed_2kj4 1
136 "E 122 Psi -41.00" 682 1 682 21 parsed_2kj4 1
137 "L 123 Psi -40.00" 687 1 687 21 parsed_2kj4 1
138 "E 124 Psi -39.00" 692 1 692 21 parsed_2kj4 1
139 "R 125 Psi -40.00" 697 1 697 21 parsed_2kj4 1
140 "L 126 Psi -24.00" 702 1 702 21 parsed_2kj4 1
141 "K 127 Psi -27.00" 707 1 707 21 parsed_2kj4 1
stop_
save_
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