NMR Restraints Grid
| |
NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
636417 |
6j4i   |
cing | 2-parsed | STAR | dihedral angle | 108 |
data_6j4i_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6j4i
_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_6j4i 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6j4i
_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 6j4i "Master copy" parsed_6j4i
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6j4i
_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 6j4i.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6j4i 1
1 6j4i.mr . . XPLOR/CNS 2 distance NOE simple 1052 parsed_6j4i 1
1 6j4i.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 108 parsed_6j4i 1
1 6j4i.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6j4i 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6j4i
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 3
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.0 74.0 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_6j4i 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15.4 59.8 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_6j4i 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.2 -52.2 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_6j4i 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.0 -5.0 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_6j4i 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136.5 -70.7 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_6j4i 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.5 149.5 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_6j4i 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -75.8 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_6j4i 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.8 141.8 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_6j4i 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.3 -82.5 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_6j4i 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.5 146.5 . . 27 . N . 27 . CA . 27 . C . 28 . N parsed_6j4i 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.6 -14.2 . . 27 . C . 28 . N . 28 . CA . 28 . C parsed_6j4i 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 136.1 204.9 . . 28 . N . 28 . CA . 28 . C . 29 . N parsed_6j4i 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.1 -45.1 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_6j4i 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -38.0 2.0 . . 29 . N . 29 . CA . 29 . C . 30 . N parsed_6j4i 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -108.3 -68.3 . . 29 . C . 30 . N . 30 . CA . 30 . C parsed_6j4i 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -14.2 25.8 . . 30 . N . 30 . CA . 30 . C . 31 . N parsed_6j4i 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 47.9 87.9 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_6j4i 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -7.2 47.2 . . 31 . N . 31 . CA . 31 . C . 32 . N parsed_6j4i 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -116.1 -32.3 . . 31 . C . 32 . N . 32 . CA . 32 . C parsed_6j4i 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104.3 180.7 . . 32 . N . 32 . CA . 32 . C . 33 . N parsed_6j4i 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.3 -64.5 . . 32 . C . 33 . N . 33 . CA . 33 . C parsed_6j4i 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.8 167.4 . . 33 . N . 33 . CA . 33 . C . 34 . N parsed_6j4i 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.8 -91.0 . . 33 . C . 34 . N . 34 . CA . 34 . C parsed_6j4i 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.4 155.4 . . 34 . N . 34 . CA . 34 . C . 35 . N parsed_6j4i 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.4 -50.4 . . 39 . C . 40 . N . 40 . CA . 40 . C parsed_6j4i 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.7 -5.7 . . 40 . N . 40 . CA . 40 . C . 41 . N parsed_6j4i 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.1 -77.7 . . 40 . C . 41 . N . 41 . CA . 41 . C parsed_6j4i 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -33.5 56.5 . . 41 . N . 41 . CA . 41 . C . 42 . N parsed_6j4i 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136.0 -62.2 . . 41 . C . 42 . N . 42 . CA . 42 . C parsed_6j4i 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 97.3 159.3 . . 42 . N . 42 . CA . 42 . C . 43 . N parsed_6j4i 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.7 -44.7 . . 43 . C . 44 . N . 44 . CA . 44 . C parsed_6j4i 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.6 -16.6 . . 44 . N . 44 . CA . 44 . C . 45 . N parsed_6j4i 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -42.2 . . 44 . C . 45 . N . 45 . CA . 45 . C parsed_6j4i 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.3 13.9 . . 45 . N . 45 . CA . 45 . C . 46 . N parsed_6j4i 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.3 -43.3 . . 46 . C . 47 . N . 47 . CA . 47 . C parsed_6j4i 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.8 -18.8 . . 47 . N . 47 . CA . 47 . C . 48 . N parsed_6j4i 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.0 -44.0 . . 47 . C . 48 . N . 48 . CA . 48 . C parsed_6j4i 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.2 -22.2 . . 48 . N . 48 . CA . 48 . C . 49 . N parsed_6j4i 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.9 -45.9 . . 48 . C . 49 . N . 49 . CA . 49 . C parsed_6j4i 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.0 -22.0 . . 49 . N . 49 . CA . 49 . C . 50 . N parsed_6j4i 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.5 -45.5 . . 49 . C . 50 . N . 50 . CA . 50 . C parsed_6j4i 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.0 -19.0 . . 50 . N . 50 . CA . 50 . C . 51 . N parsed_6j4i 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.5 -42.5 . . 50 . C . 51 . N . 51 . CA . 51 . C parsed_6j4i 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.7 -25.7 . . 51 . N . 51 . CA . 51 . C . 52 . N parsed_6j4i 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.6 -43.6 . . 51 . C . 52 . N . 52 . CA . 52 . C parsed_6j4i 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.0 -22.0 . . 52 . N . 52 . CA . 52 . C . 53 . N parsed_6j4i 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.6 -44.6 . . 52 . C . 53 . N . 53 . CA . 53 . C parsed_6j4i 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.9 -17.9 . . 53 . N . 53 . CA . 53 . C . 54 . N parsed_6j4i 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.9 -48.9 . . 53 . C . 54 . N . 54 . CA . 54 . C parsed_6j4i 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.1 -6.1 . . 54 . N . 54 . CA . 54 . C . 55 . N parsed_6j4i 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.6 -67.4 . . 60 . C . 61 . N . 61 . CA . 61 . C parsed_6j4i 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -33.9 21.1 . . 61 . N . 61 . CA . 61 . C . 62 . N parsed_6j4i 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -129.7 -68.9 . . 61 . C . 62 . N . 62 . CA . 62 . C parsed_6j4i 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.3 153.3 . . 62 . N . 62 . CA . 62 . C . 63 . N parsed_6j4i 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -134.4 -83.0 . . 62 . C . 63 . N . 63 . CA . 63 . C parsed_6j4i 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.0 151.8 . . 63 . N . 63 . CA . 63 . C . 64 . N parsed_6j4i 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -127.1 -85.9 . . 63 . C . 64 . N . 64 . CA . 64 . C parsed_6j4i 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.1 151.1 . . 64 . N . 64 . CA . 64 . C . 65 . N parsed_6j4i 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.8 -99.8 . . 64 . C . 65 . N . 65 . CA . 65 . C parsed_6j4i 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.1 157.1 . . 65 . N . 65 . CA . 65 . C . 66 . N parsed_6j4i 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -144.0 -104.0 . . 65 . C . 66 . N . 66 . CA . 66 . C parsed_6j4i 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.0 141.0 . . 66 . N . 66 . CA . 66 . C . 67 . N parsed_6j4i 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 36.0 76.0 . . 66 . C . 67 . N . 67 . CA . 67 . C parsed_6j4i 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19.3 59.3 . . 67 . N . 67 . CA . 67 . C . 68 . N parsed_6j4i 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 61.4 101.4 . . 67 . C . 68 . N . 68 . CA . 68 . C parsed_6j4i 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -18.1 21.9 . . 68 . N . 68 . CA . 68 . C . 69 . N parsed_6j4i 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -131.7 -91.7 . . 68 . C . 69 . N . 69 . CA . 69 . C parsed_6j4i 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.9 154.9 . . 69 . N . 69 . CA . 69 . C . 70 . N parsed_6j4i 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.8 -52.8 . . 69 . C . 70 . N . 70 . CA . 70 . C parsed_6j4i 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.3 151.3 . . 70 . N . 70 . CA . 70 . C . 71 . N parsed_6j4i 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.4 -31.8 . . 70 . C . 71 . N . 71 . CA . 71 . C parsed_6j4i 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.0 183.4 . . 71 . N . 71 . CA . 71 . C . 72 . N parsed_6j4i 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.9 -36.9 . . 72 . C . 73 . N . 73 . CA . 73 . C parsed_6j4i 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.9 10.5 . . 73 . N . 73 . CA . 73 . C . 74 . N parsed_6j4i 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -113.3 -73.3 . . 73 . C . 74 . N . 74 . CA . 74 . C parsed_6j4i 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -13.9 26.1 . . 74 . N . 74 . CA . 74 . C . 75 . N parsed_6j4i 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.2 -78.4 . . 75 . C . 76 . N . 76 . CA . 76 . C parsed_6j4i 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 134.1 182.5 . . 76 . N . 76 . CA . 76 . C . 77 . N parsed_6j4i 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.1 -37.1 . . 76 . C . 77 . N . 77 . CA . 77 . C parsed_6j4i 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.9 -13.9 . . 77 . N . 77 . CA . 77 . C . 78 . N parsed_6j4i 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.9 -43.9 . . 77 . C . 78 . N . 78 . CA . 78 . C parsed_6j4i 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.8 -16.8 . . 78 . N . 78 . CA . 78 . C . 79 . N parsed_6j4i 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.6 -46.6 . . 78 . C . 79 . N . 79 . CA . 79 . C parsed_6j4i 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.1 -6.1 . . 79 . N . 79 . CA . 79 . C . 80 . N parsed_6j4i 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -114.0 -74.0 . . 79 . C . 80 . N . 80 . CA . 80 . C parsed_6j4i 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -21.6 18.4 . . 80 . N . 80 . CA . 80 . C . 81 . N parsed_6j4i 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 52.7 92.7 . . 80 . C . 81 . N . 81 . CA . 81 . C parsed_6j4i 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7.0 47.0 . . 81 . N . 81 . CA . 81 . C . 82 . N parsed_6j4i 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -106.4 -48.2 . . 81 . C . 82 . N . 82 . CA . 82 . C parsed_6j4i 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.6 159.8 . . 82 . N . 82 . CA . 82 . C . 83 . N parsed_6j4i 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.6 -47.8 . . 82 . C . 83 . N . 83 . CA . 83 . C parsed_6j4i 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123.3 180.7 . . 83 . N . 83 . CA . 83 . C . 84 . N parsed_6j4i 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.8 -11.8 . . 84 . N . 84 . CA . 84 . C . 85 . N parsed_6j4i 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.1 -50.1 . . 84 . C . 85 . N . 85 . CA . 85 . C parsed_6j4i 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -36.9 3.1 . . 85 . N . 85 . CA . 85 . C . 86 . N parsed_6j4i 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -26.9 13.1 . . 86 . N . 86 . CA . 86 . C . 87 . N parsed_6j4i 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.6 -83.6 . . 86 . C . 87 . N . 87 . CA . 87 . C parsed_6j4i 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.2 153.2 . . 87 . N . 87 . CA . 87 . C . 88 . N parsed_6j4i 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.5 -99.5 . . 87 . C . 88 . N . 88 . CA . 88 . C parsed_6j4i 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.7 151.7 . . 88 . N . 88 . CA . 88 . C . 89 . N parsed_6j4i 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.9 -74.1 . . 88 . C . 89 . N . 89 . CA . 89 . C parsed_6j4i 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.8 155.8 . . 89 . N . 89 . CA . 89 . C . 90 . N parsed_6j4i 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -134.6 -92.2 . . 89 . C . 90 . N . 90 . CA . 90 . C parsed_6j4i 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.6 148.8 . . 90 . N . 90 . CA . 90 . C . 91 . N parsed_6j4i 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.5 -98.5 . . 90 . C . 91 . N . 91 . CA . 91 . C parsed_6j4i 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.9 163.1 . . 91 . N . 91 . CA . 91 . C . 92 . N parsed_6j4i 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.1 -53.7 . . 91 . C . 92 . N . 92 . CA . 92 . C parsed_6j4i 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.4 169.4 . . 92 . N . 92 . CA . 92 . C . 93 . N parsed_6j4i 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 "15 D 54.025 37.636 6.647 11.120 1.343 0.709 25 9 Strong" 3 1 3 73 parsed_6j4i 1
2 "16 K -72.217 -24.952 6.358 8.364 1.237 0.712 25 10 Strong" 9 1 9 73 parsed_6j4i 1
3 "25 K -103.615 129.455 16.459 8.982 0.381 0.796 25 10 Strong" 15 1 15 73 parsed_6j4i 1
4 "26 V -97.909 121.827 11.049 8.458 0.299 0.793 25 12 Strong" 21 1 21 73 parsed_6j4i 1
5 "27 I -104.367 126.460 10.970 9.567 0.263 0.753 25 11 Strong" 27 1 27 73 parsed_6j4i 1
6 "28 G -89.921 170.466 25.233 11.483 0.309 0.699 10 11 Generous" 33 1 33 75 parsed_6j4i 1
7 "29 Q -65.132 -17.967 5.787 6.790 0.289 0.696 25 11 Strong" 39 1 39 73 parsed_6j4i 1
8 "30 D -88.313 5.810 6.577 8.243 0.319 0.685 25 12 Strong" 45 1 45 73 parsed_6j4i 1
9 "31 S 67.920 19.984 9.198 13.599 0.429 0.709 25 12 Strong" 51 1 51 73 parsed_6j4i 1
10 "32 S -74.241 142.531 13.966 12.723 0.484 0.682 10 12 Generous" 57 1 57 75 parsed_6j4i 1
11 "33 E -101.942 138.626 18.686 14.385 1.204 0.708 25 12 Strong" 63 1 63 73 parsed_6j4i 1
12 "34 I -114.921 135.394 11.964 9.464 1.402 0.705 25 8 Strong" 69 1 69 73 parsed_6j4i 1
13 "40 M -70.437 -25.735 5.960 7.804 0.903 0.813 25 12 Strong" 76 1 76 73 parsed_6j4i 1
14 "41 T -106.387 11.467 14.363 22.476 0.945 0.807 25 12 Strong" 82 1 82 73 parsed_6j4i 1
15 "42 T -99.148 128.342 12.285 10.344 0.919 0.774 10 9 Generous" 88 1 88 75 parsed_6j4i 1
16 "44 L -64.683 -36.620 8.612 9.167 1.408 0.636 25 8 Strong" 94 1 94 73 parsed_6j4i 1
17 "45 K -73.640 -27.739 10.462 13.862 0.931 0.609 10 9 Generous" 100 1 100 75 parsed_6j4i 1
18 "47 L -63.315 -38.830 6.440 8.112 0.371 0.770 25 9 Strong" 106 1 106 73 parsed_6j4i 1
19 "48 K -63.995 -42.231 4.540 5.896 0.247 0.872 25 11 Strong" 112 1 112 73 parsed_6j4i 1
20 "49 E -65.924 -41.998 3.460 6.326 0.214 0.898 25 10 Strong" 118 1 118 73 parsed_6j4i 1
21 "50 S -65.469 -39.023 2.306 2.657 0.175 0.904 25 10 Strong" 124 1 124 73 parsed_6j4i 1
22 "51 Y -62.516 -45.708 3.661 4.526 0.174 0.903 25 10 Strong" 130 1 130 73 parsed_6j4i 1
23 "52 C -63.631 -41.959 2.881 4.176 0.210 0.899 25 12 Strong" 136 1 136 73 parsed_6j4i 1
24 "53 Q -64.610 -37.949 3.170 5.763 0.248 0.844 25 12 Strong" 142 1 142 73 parsed_6j4i 1
25 "54 R -68.925 -26.118 6.603 5.777 0.296 0.766 25 10 Strong" 148 1 148 73 parsed_6j4i 1
26 "61 S -96.453 -6.396 14.575 13.745 0.406 0.723 25 12 Strong" 154 1 154 73 parsed_6j4i 1
27 "62 L -99.308 133.309 15.196 8.081 0.369 0.778 25 12 Strong" 160 1 160 73 parsed_6j4i 1
28 "63 R -108.741 129.884 12.847 10.966 0.312 0.835 25 12 Strong" 166 1 166 73 parsed_6j4i 1
29 "64 L -106.488 131.053 10.275 7.389 0.330 0.869 25 12 Strong" 172 1 172 73 parsed_6j4i 1
30 "65 L -119.812 137.050 6.714 8.882 0.246 0.867 25 12 Strong" 178 1 178 73 parsed_6j4i 1
31 "66 F -123.956 120.996 9.250 7.510 0.181 0.826 25 12 Strong" 184 1 184 73 parsed_6j4i 1
32 "67 E 56.028 39.341 5.404 5.227 0.130 0.785 25 11 Strong" 190 1 190 73 parsed_6j4i 1
33 "68 G 81.434 1.943 5.371 6.673 0.128 0.715 25 11 Strong" 196 1 196 73 parsed_6j4i 1
34 "69 Q -111.744 134.867 8.595 7.345 0.237 0.689 25 11 Strong" 202 1 202 73 parsed_6j4i 1
35 "70 R -72.760 131.342 6.782 7.705 0.421 0.699 25 12 Strong" 208 1 208 73 parsed_6j4i 1
36 "71 I -86.647 142.699 18.278 13.581 0.898 0.774 10 12 Generous" 214 1 214 75 parsed_6j4i 1
37 "73 D -66.895 -22.654 5.205 11.050 1.612 0.872 10 12 Generous" 220 1 220 75 parsed_6j4i 1
38 "74 N -93.302 6.128 8.732 9.890 1.098 0.856 25 12 Strong" 226 1 226 73 parsed_6j4i 1
39 "76 T -113.264 158.290 17.426 12.121 0.419 0.840 25 10 Strong" 232 1 232 73 parsed_6j4i 1
40 "77 P -57.139 -33.860 4.339 6.934 0.333 0.850 25 10 Strong" 238 1 238 73 parsed_6j4i 1
41 "78 K -63.860 -36.828 4.658 9.185 0.295 0.857 25 10 Strong" 244 1 244 73 parsed_6j4i 1
42 "79 E -66.559 -26.124 5.611 8.925 0.209 0.816 25 12 Strong" 250 1 250 73 parsed_6j4i 1
43 "80 L -94.007 -1.582 6.931 7.798 0.152 0.760 25 11 Strong" 256 1 256 73 parsed_6j4i 1
44 "81 G 72.725 26.960 8.479 8.960 0.164 0.700 25 11 Strong" 262 1 262 73 parsed_6j4i 1
45 "82 M -77.285 138.661 14.558 10.535 0.247 0.707 25 11 Strong" 268 1 268 73 parsed_6j4i 1
46 "83 E -89.205 152.024 20.721 14.353 0.313 0.750 25 12 Strong" 274 1 274 73 parsed_6j4i 1
47 "84 E -60.757 -31.760 5.438 7.770 0.455 0.825 25 12 Strong" 280 1 280 73 parsed_6j4i 1
48 "85 E -70.083 -16.890 5.985 7.526 0.340 0.858 25 12 Strong" 284 1 284 73 parsed_6j4i 1
49 "86 D -91.230 -6.898 7.204 9.592 0.342 0.870 25 12 Strong" 290 1 290 73 parsed_6j4i 1
50 "87 V -107.089 133.175 11.769 6.009 0.358 0.867 25 12 Strong" 294 1 294 73 parsed_6j4i 1
51 "88 I -119.475 131.672 9.442 8.142 0.382 0.861 25 12 Strong" 300 1 300 73 parsed_6j4i 1
52 "89 E -107.962 135.800 16.953 9.323 0.361 0.836 25 12 Strong" 306 1 306 73 parsed_6j4i 1
53 "90 V -113.445 126.159 10.586 11.275 0.313 0.802 25 12 Strong" 312 1 312 73 parsed_6j4i 1
54 "91 Y -118.499 137.991 9.423 12.547 0.300 0.731 25 12 Strong" 318 1 318 73 parsed_6j4i 1
55 "92 Q -78.888 134.925 12.619 17.260 0.299 0.617 25 12 Strong" 324 1 324 73 parsed_6j4i 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 file 2: D_1300010403_mr_P1.xplor-nih.V2" 1 1 1 52 parsed_6j4i 1
stop_
save_
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