NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
632081 |
6eqy   |
34184 | cing | 2-parsed | STAR | dihedral angle | 120 |
data_6eqy_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6eqy
_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_6eqy 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6eqy
_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 6eqy "Master copy" parsed_6eqy
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6eqy
_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 6eqy.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6eqy 1
1 6eqy.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 120 parsed_6eqy 1
1 6eqy.mr . . XPLOR/CNS 3 distance NOE simple 0 parsed_6eqy 1
1 6eqy.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 0 parsed_6eqy 1
1 6eqy.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6eqy 1
stop_
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6eqy
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.69 -51.17 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_6eqy 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 67.82 113.06 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_6eqy 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.73 -65.37 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_6eqy 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.38 -50.46 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_6eqy 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.33 -106.05 . . 29 . C . 30 . N . 30 . CA . 30 . C parsed_6eqy 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.73 -91.21 . . 31 . C . 32 . N . 32 . CA . 32 . C parsed_6eqy 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.29 -43.53 . . 36 . C . 37 . N . 37 . CA . 37 . C parsed_6eqy 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -166.62 -95.70 . . 39 . C . 40 . N . 40 . CA . 40 . C parsed_6eqy 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156.17 -99.01 . . 40 . C . 41 . N . 41 . CA . 41 . C parsed_6eqy 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.06 -75.02 . . 41 . C . 42 . N . 42 . CA . 42 . C parsed_6eqy 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -154.14 -103.34 . . 42 . C . 43 . N . 43 . CA . 43 . C parsed_6eqy 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.02 -79.78 . . 43 . C . 44 . N . 44 . CA . 44 . C parsed_6eqy 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.11 -42.47 . . 44 . C . 45 . N . 45 . CA . 45 . C parsed_6eqy 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 57.28 113.12 . . 47 . C . 48 . N . 48 . CA . 48 . C parsed_6eqy 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136.91 -68.15 . . 48 . C . 49 . N . 49 . CA . 49 . C parsed_6eqy 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.94 -70.18 . . 49 . C . 50 . N . 50 . CA . 50 . C parsed_6eqy 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.22 -84.82 . . 50 . C . 51 . N . 51 . CA . 51 . C parsed_6eqy 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -116.66 -57.02 . . 51 . C . 52 . N . 52 . CA . 52 . C parsed_6eqy 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.98 -93.30 . . 52 . C . 53 . N . 53 . CA . 53 . C parsed_6eqy 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.35 -36.23 . . 54 . C . 55 . N . 55 . CA . 55 . C parsed_6eqy 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.11 -52.31 . . 55 . C . 56 . N . 56 . CA . 56 . C parsed_6eqy 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -167.82 -73.58 . . 57 . C . 58 . N . 58 . CA . 58 . C parsed_6eqy 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -163.06 -52.06 . . 58 . C . 59 . N . 59 . CA . 59 . C parsed_6eqy 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -144.20 -44.68 . . 60 . C . 61 . N . 61 . CA . 61 . C parsed_6eqy 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.42 -45.38 . . 64 . C . 65 . N . 65 . CA . 65 . C parsed_6eqy 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.05 -80.93 . . 67 . C . 68 . N . 68 . CA . 68 . C parsed_6eqy 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -181.43 -105.31 . . 68 . C . 69 . N . 69 . CA . 69 . C parsed_6eqy 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.46 -85.42 . . 69 . C . 70 . N . 70 . CA . 70 . C parsed_6eqy 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -112.09 -60.73 . . 70 . C . 71 . N . 71 . CA . 71 . C parsed_6eqy 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -121.44 -69.64 . . 72 . C . 73 . N . 73 . CA . 73 . C parsed_6eqy 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 45.05 78.85 . . 73 . C . 74 . N . 74 . CA . 74 . C parsed_6eqy 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.78 -56.18 . . 77 . C . 78 . N . 78 . CA . 78 . C parsed_6eqy 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.92 -48.84 . . 78 . C . 79 . N . 79 . CA . 79 . C parsed_6eqy 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.92 -119.92 . . 82 . C . 83 . N . 83 . CA . 83 . C parsed_6eqy 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.26 -86.70 . . 83 . C . 84 . N . 84 . CA . 84 . C parsed_6eqy 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -184.51 -63.83 . . 86 . C . 87 . N . 87 . CA . 87 . C parsed_6eqy 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.65 -49.49 . . 89 . C . 90 . N . 90 . CA . 90 . C parsed_6eqy 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 86.97 104.85 . . 91 . C . 92 . N . 92 . CA . 92 . C parsed_6eqy 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151.84 -27.52 . . 92 . C . 93 . N . 93 . CA . 93 . C parsed_6eqy 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -171.70 -100.34 . . 93 . C . 94 . N . 94 . CA . 94 . C parsed_6eqy 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.83 -53.19 . . 96 . C . 97 . N . 97 . CA . 97 . C parsed_6eqy 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.43 -113.11 . . 98 . C . 99 . N . 99 . CA . 99 . C parsed_6eqy 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.79 -87.67 . . 99 . C . 100 . N . 100 . CA . 100 . C parsed_6eqy 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -184.78 -68.74 . . 100 . C . 101 . N . 101 . CA . 101 . C parsed_6eqy 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -166.14 -102.86 . . 104 . C . 105 . N . 105 . CA . 105 . C parsed_6eqy 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -144.76 -72.00 . . 105 . C . 106 . N . 106 . CA . 106 . C parsed_6eqy 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.72 -72.16 . . 106 . C . 107 . N . 107 . CA . 107 . C parsed_6eqy 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.71 -98.07 . . 107 . C . 108 . N . 108 . CA . 108 . C parsed_6eqy 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159.72 -51.80 . . 108 . C . 109 . N . 109 . CA . 109 . C parsed_6eqy 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101.31 -37.51 . . 113 . C . 114 . N . 114 . CA . 114 . C parsed_6eqy 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -174.82 -78.78 . . 118 . C . 119 . N . 119 . CA . 119 . C parsed_6eqy 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151.75 -87.71 . . 119 . C . 120 . N . 120 . CA . 120 . C parsed_6eqy 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -163.47 -98.47 . . 120 . C . 121 . N . 121 . CA . 121 . C parsed_6eqy 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.04 -42.36 . . 122 . C . 123 . N . 123 . CA . 123 . C parsed_6eqy 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.06 -51.66 . . 123 . C . 124 . N . 124 . CA . 124 . C parsed_6eqy 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.08 -82.56 . . 125 . C . 126 . N . 126 . CA . 126 . C parsed_6eqy 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -166.09 -112.65 . . 126 . C . 127 . N . 127 . CA . 127 . C parsed_6eqy 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.79 -63.07 . . 127 . C . 128 . N . 128 . CA . 128 . C parsed_6eqy 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 138.70 177.74 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_6eqy 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -29.96 7.00 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_6eqy 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.41 192.61 . . 23 . N . 23 . CA . 23 . C . 24 . N parsed_6eqy 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.23 168.75 . . 24 . N . 24 . CA . 24 . C . 25 . N parsed_6eqy 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.18 187.38 . . 30 . N . 30 . CA . 30 . C . 31 . N parsed_6eqy 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 124.96 165.84 . . 32 . N . 32 . CA . 32 . C . 33 . N parsed_6eqy 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 151.10 186.90 . . 37 . N . 37 . CA . 37 . C . 38 . N parsed_6eqy 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 131.04 177.32 . . 40 . N . 40 . CA . 40 . C . 41 . N parsed_6eqy 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.29 171.89 . . 41 . N . 41 . CA . 41 . C . 42 . N parsed_6eqy 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.19 164.95 . . 42 . N . 42 . CA . 42 . C . 43 . N parsed_6eqy 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.77 156.41 . . 43 . N . 43 . CA . 43 . C . 44 . N parsed_6eqy 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.59 150.47 . . 44 . N . 44 . CA . 44 . C . 45 . N parsed_6eqy 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.56 205.92 . . 45 . N . 45 . CA . 45 . C . 46 . N parsed_6eqy 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -23.18 46.46 . . 48 . N . 48 . CA . 48 . C . 49 . N parsed_6eqy 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.91 180.95 . . 49 . N . 49 . CA . 49 . C . 50 . N parsed_6eqy 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 98.06 147.82 . . 50 . N . 50 . CA . 50 . C . 51 . N parsed_6eqy 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.54 180.42 . . 51 . N . 51 . CA . 51 . C . 52 . N parsed_6eqy 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 87.93 167.49 . . 52 . N . 52 . CA . 52 . C . 53 . N parsed_6eqy 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 131.55 185.23 . . 53 . N . 53 . CA . 53 . C . 54 . N parsed_6eqy 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.91 -20.43 . . 55 . N . 55 . CA . 55 . C . 56 . N parsed_6eqy 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.40 13.08 . . 56 . N . 56 . CA . 56 . C . 57 . N parsed_6eqy 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 141.20 170.96 . . 58 . N . 58 . CA . 58 . C . 59 . N parsed_6eqy 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104.62 181.34 . . 59 . N . 59 . CA . 59 . C . 60 . N parsed_6eqy 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 88.62 169.86 . . 61 . N . 61 . CA . 61 . C . 62 . N parsed_6eqy 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.56 13.72 . . 65 . N . 65 . CA . 65 . C . 66 . N parsed_6eqy 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.73 163.21 . . 68 . N . 68 . CA . 68 . C . 69 . N parsed_6eqy 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.67 183.15 . . 69 . N . 69 . CA . 69 . C . 70 . N parsed_6eqy 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.00 159.84 . . 70 . N . 70 . CA . 70 . C . 71 . N parsed_6eqy 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.82 210.58 . . 71 . N . 71 . CA . 71 . C . 72 . N parsed_6eqy 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -7.52 26.96 . . 73 . N . 73 . CA . 73 . C . 74 . N parsed_6eqy 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -4.40 64.32 . . 74 . N . 74 . CA . 74 . C . 75 . N parsed_6eqy 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.53 188.49 . . 78 . N . 78 . CA . 78 . C . 79 . N parsed_6eqy 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.06 -25.38 . . 79 . N . 79 . CA . 79 . C . 80 . N parsed_6eqy 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 137.87 189.71 . . 83 . N . 83 . CA . 83 . C . 84 . N parsed_6eqy 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.81 169.01 . . 84 . N . 84 . CA . 84 . C . 85 . N parsed_6eqy 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 136.01 172.89 . . 87 . N . 87 . CA . 87 . C . 88 . N parsed_6eqy 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.26 -15.22 . . 90 . N . 90 . CA . 90 . C . 91 . N parsed_6eqy 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -29.68 0.28 . . 92 . N . 92 . CA . 92 . C . 93 . N parsed_6eqy 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123.02 170.58 . . 93 . N . 93 . CA . 93 . C . 94 . N parsed_6eqy 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.09 177.57 . . 94 . N . 94 . CA . 94 . C . 95 . N parsed_6eqy 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.83 154.75 . . 97 . N . 97 . CA . 97 . C . 98 . N parsed_6eqy 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 126.50 176.38 . . 99 . N . 99 . CA . 99 . C . 100 . N parsed_6eqy 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 92.75 187.91 . . 100 . N . 100 . CA . 100 . C . 101 . N parsed_6eqy 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.02 171.98 . . 101 . N . 101 . CA . 101 . C . 102 . N parsed_6eqy 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 126.78 171.30 . . 105 . N . 105 . CA . 105 . C . 106 . N parsed_6eqy 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99.77 151.13 . . 106 . N . 106 . CA . 106 . C . 107 . N parsed_6eqy 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.39 175.07 . . 107 . N . 107 . CA . 107 . C . 108 . N parsed_6eqy 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.08 181.60 . . 108 . N . 108 . CA . 108 . C . 109 . N parsed_6eqy 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 82.80 172.76 . . 109 . N . 109 . CA . 109 . C . 110 . N parsed_6eqy 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.91 -6.47 . . 114 . N . 114 . CA . 114 . C . 115 . N parsed_6eqy 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.54 185.26 . . 119 . N . 119 . CA . 119 . C . 120 . N parsed_6eqy 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.82 177.94 . . 120 . N . 120 . CA . 120 . C . 121 . N parsed_6eqy 1
111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.08 174.92 . . 121 . N . 121 . CA . 121 . C . 122 . N parsed_6eqy 1
112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.33 -28.69 . . 123 . N . 123 . CA . 123 . C . 124 . N parsed_6eqy 1
113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.80 18.40 . . 124 . N . 124 . CA . 124 . C . 125 . N parsed_6eqy 1
114 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 119.44 170.92 . . 126 . N . 126 . CA . 126 . C . 127 . N parsed_6eqy 1
115 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96.65 173.81 . . 127 . N . 127 . CA . 127 . C . 128 . N parsed_6eqy 1
116 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.47 149.35 . . 128 . N . 128 . CA . 128 . C . 129 . N parsed_6eqy 1
117 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.00 210.00 . . 23 . C . 23 . CA . 23 . CB . 23 . CG2 parsed_6eqy 1
118 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.00 210.00 . . 30 . C . 30 . CA . 30 . CB . 30 . CG2 parsed_6eqy 1
119 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.00 210.00 . . 30 . N . 30 . CA . 30 . CB . 30 . HB parsed_6eqy 1
120 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.00 210.00 . . 43 . C . 43 . CA . 43 . CB . 43 . CG2 parsed_6eqy 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 "1. E 18 Phi -107.93 +/- 56.76 (-164.69 to -51.17)" 2 1 2 52 parsed_6eqy 1
2 "2. G 20 Phi 90.44 +/- 22.62 (67.82 to 113.06)" 7 1 7 48 parsed_6eqy 1
3 "3. V 23 Phi -115.55 +/- 50.18 (-165.73 to -65.37)" 12 1 12 52 parsed_6eqy 1
4 "4. Q 24 Phi -107.92 +/- 57.46 (-165.38 to -50.46)" 17 1 17 52 parsed_6eqy 1
5 "5. V 30 Phi -135.19 +/- 29.14 (-164.33 to -106.05)" 22 1 22 53 parsed_6eqy 1
6 "6. V 32 Phi -121.97 +/- 30.76 (-152.73 to -91.21)" 27 1 27 52 parsed_6eqy 1
7 "7. E 37 Phi -96.91 +/- 53.38 (-150.29 to -43.53)" 32 1 32 51 parsed_6eqy 1
8 "8. T 40 Phi -131.16 +/- 35.46 (-166.62 to -95.70)" 37 1 37 52 parsed_6eqy 1
9 "9. F 41 Phi -127.59 +/- 28.58 (-156.17 to -99.01)" 42 1 42 52 parsed_6eqy 1
10 "10. Q 42 Phi -110.54 +/- 35.52 (-146.06 to -75.02)" 47 1 47 53 parsed_6eqy 1
11 "11. V 43 Phi -128.74 +/- 25.40 (-154.14 to -103.34)" 52 1 52 54 parsed_6eqy 1
12 "12. L 44 Phi -112.90 +/- 33.12 (-146.02 to -79.78)" 57 1 57 53 parsed_6eqy 1
13 "13. N 45 Phi -103.29 +/- 60.82 (-164.11 to -42.47)" 62 1 62 53 parsed_6eqy 1
14 "14. G 48 Phi 85.20 +/- 27.92 (57.28 to 113.12)" 67 1 67 49 parsed_6eqy 1
15 "15. K 49 Phi -102.53 +/- 34.38 (-136.91 to -68.15)" 72 1 72 53 parsed_6eqy 1
16 "16. V 50 Phi -103.06 +/- 32.88 (-135.94 to -70.18)" 77 1 77 53 parsed_6eqy 1
17 "17. V 51 Phi -119.02 +/- 34.20 (-153.22 to -84.82)" 82 1 82 53 parsed_6eqy 1
18 "18. T 52 Phi -86.84 +/- 29.82 (-116.66 to -57.02)" 87 1 87 52 parsed_6eqy 1
19 "19. V 53 Phi -124.64 +/- 31.34 (-155.98 to -93.30)" 92 1 92 53 parsed_6eqy 1
20 "20. H 55 Phi -62.29 +/- 26.06 (-88.35 to -36.23)" 97 1 97 51 parsed_6eqy 1
21 "21. Q 56 Phi -69.21 +/- 16.90 (-86.11 to -52.31)" 102 1 102 51 parsed_6eqy 1
22 "22. V 58 Phi -120.70 +/- 47.12 (-167.82 to -73.58)" 107 1 107 53 parsed_6eqy 1
23 "23. T 59 Phi -107.56 +/- 55.50 (-163.06 to -52.06)" 112 1 112 53 parsed_6eqy 1
24 "24. K 61 Phi -94.44 +/- 49.76 (-144.20 to -44.68)" 117 1 117 52 parsed_6eqy 1
25 "25. R 65 Phi -69.90 +/- 24.52 (-94.42 to -45.38)" 122 1 122 51 parsed_6eqy 1
26 "26. V 68 Phi -120.49 +/- 39.56 (-160.05 to -80.93)" 127 1 127 53 parsed_6eqy 1
27 "27. A 69 Phi -143.37 +/- 38.06 (-181.43 to -105.31)" 132 1 132 54 parsed_6eqy 1
28 "28. L 70 Phi -115.44 +/- 30.02 (-145.46 to -85.42)" 137 1 137 53 parsed_6eqy 1
29 "29. D 71 Phi -86.41 +/- 25.68 (-112.09 to -60.73)" 142 1 142 52 parsed_6eqy 1
30 "30. E 73 Phi -95.54 +/- 25.90 (-121.44 to -69.64)" 147 1 147 52 parsed_6eqy 1
31 "31. Q 74 Phi 61.95 +/- 16.90 (45.05 to 78.85)" 152 1 152 48 parsed_6eqy 1
32 "32. H 78 Phi -101.48 +/- 45.30 (-146.78 to -56.18)" 157 1 157 53 parsed_6eqy 1
33 "33. V 79 Phi -58.88 +/- 10.04 (-68.92 to -48.84)" 162 1 162 51 parsed_6eqy 1
34 "34. V 83 Phi -134.42 +/- 14.50 (-148.92 to -119.92)" 167 1 167 54 parsed_6eqy 1
35 "35. K 84 Phi -130.98 +/- 44.28 (-175.26 to -86.70)" 172 1 172 53 parsed_6eqy 1
36 "36. D 87 Phi -124.17 +/- 60.34 (-184.51 to -63.83)" 177 1 177 53 parsed_6eqy 1
37 "37. H 90 Phi -68.07 +/- 18.58 (-86.65 to -49.49)" 182 1 182 51 parsed_6eqy 1
38 "38. G 92 Phi 95.91 +/- 8.94 (86.97 to 104.85)" 187 1 187 48 parsed_6eqy 1
39 "39. R 93 Phi -89.68 +/- 62.16 (-151.84 to -27.52)" 192 1 192 52 parsed_6eqy 1
40 "40. E 94 Phi -136.02 +/- 35.68 (-171.70 to -100.34)" 197 1 197 54 parsed_6eqy 1
41 "41. I 97 Phi -71.51 +/- 18.32 (-89.83 to -53.19)" 202 1 202 51 parsed_6eqy 1
42 "42. H 99 Phi -146.27 +/- 33.16 (-179.43 to -113.11)" 207 1 207 54 parsed_6eqy 1
43 "43. L 100 Phi -124.23 +/- 36.56 (-160.79 to -87.67)" 212 1 212 54 parsed_6eqy 1
44 "44. F 101 Phi -126.76 +/- 58.02 (-184.78 to -68.74)" 217 1 217 54 parsed_6eqy 1
45 "45. A 105 Phi -134.50 +/- 31.64 (-166.14 to -102.86)" 222 1 222 55 parsed_6eqy 1
46 "46. F 106 Phi -108.38 +/- 36.38 (-144.76 to -72.00)" 227 1 227 54 parsed_6eqy 1
47 "47. L 107 Phi -118.94 +/- 46.78 (-165.72 to -72.16)" 232 1 232 54 parsed_6eqy 1
48 "48. H 108 Phi -136.89 +/- 38.82 (-175.71 to -98.07)" 237 1 237 54 parsed_6eqy 1
49 "49. C 109 Phi -105.76 +/- 53.96 (-159.72 to -51.80)" 242 1 242 54 parsed_6eqy 1
50 "50. E 114 Phi -69.41 +/- 31.90 (-101.31 to -37.51)" 247 1 247 53 parsed_6eqy 1
51 "51. F 119 Phi -126.80 +/- 48.02 (-174.82 to -78.78)" 252 1 252 54 parsed_6eqy 1
52 "52. V 120 Phi -119.73 +/- 32.02 (-151.75 to -87.71)" 257 1 257 54 parsed_6eqy 1
53 "53. C 121 Phi -130.97 +/- 32.50 (-163.47 to -98.47)" 262 1 262 54 parsed_6eqy 1
54 "54. T 123 Phi -64.20 +/- 21.84 (-86.04 to -42.36)" 267 1 267 52 parsed_6eqy 1
55 "55. R 124 Phi -72.86 +/- 21.20 (-94.06 to -51.66)" 272 1 272 52 parsed_6eqy 1
56
;
56. H 125 Phi -106.04 +/- 40.78 (-146.82 to -65.26)
assign (resid 124 and name C) (resid 125 and name N)
(resid 125 and name CA) (resid 125 and name C) 1.0 -106.04 40.78 2
57. L 126 Phi -115.82 +/- 33.26 (-149.08 to -82.56)
;
277 1 282 54 parsed_6eqy 1
57 "58. V 127 Phi -139.37 +/- 26.72 (-166.09 to -112.65)" 287 1 287 55 parsed_6eqy 1
58 "59. L 128 Phi -84.43 +/- 21.36 (-105.79 to -63.07)" 292 1 292 53 parsed_6eqy 1
59 "60. E 18 Psi 158.22 +/- 19.52 (138.70 to 177.74)" 298 1 298 51 parsed_6eqy 1
60 "61. G 20 Psi -11.48 +/- 18.48 (-29.96 to 7.00)" 303 1 303 49 parsed_6eqy 1
61 "62. V 23 Psi 151.01 +/- 41.60 (109.41 to 192.61)" 308 1 308 51 parsed_6eqy 1
62 "63. Q 24 Psi 134.99 +/- 33.76 (101.23 to 168.75)" 313 1 313 51 parsed_6eqy 1
63 "64. V 30 Psi 152.78 +/- 34.60 (118.18 to 187.38)" 318 1 318 51 parsed_6eqy 1
64 "65. V 32 Psi 145.40 +/- 20.44 (124.96 to 165.84)" 323 1 323 51 parsed_6eqy 1
65 "66. E 37 Psi 169.00 +/- 17.90 (151.10 to 186.90)" 328 1 328 51 parsed_6eqy 1
66 "67. T 40 Psi 154.18 +/- 23.14 (131.04 to 177.32)" 333 1 333 51 parsed_6eqy 1
67 "68. F 41 Psi 142.09 +/- 29.80 (112.29 to 171.89)" 338 1 338 51 parsed_6eqy 1
68 "69. Q 42 Psi 134.07 +/- 30.88 (103.19 to 164.95)" 343 1 343 51 parsed_6eqy 1
69 "70. V 43 Psi 132.59 +/- 23.82 (108.77 to 156.41)" 348 1 348 51 parsed_6eqy 1
70 "71. L 44 Psi 126.03 +/- 24.44 (101.59 to 150.47)" 353 1 353 51 parsed_6eqy 1
71 "72. N 45 Psi 153.24 +/- 52.68 (100.56 to 205.92)" 358 1 358 51 parsed_6eqy 1
72 "73. G 48 Psi 11.64 +/- 34.82 (-23.18 to 46.46)" 363 1 363 49 parsed_6eqy 1
73 "74. K 49 Psi 138.43 +/- 42.52 (95.91 to 180.95)" 368 1 368 50 parsed_6eqy 1
74 "75. V 50 Psi 122.94 +/- 24.88 (98.06 to 147.82)" 373 1 373 50 parsed_6eqy 1
75 "76. V 51 Psi 141.98 +/- 38.44 (103.54 to 180.42)" 378 1 378 51 parsed_6eqy 1
76 "77. T 52 Psi 127.71 +/- 39.78 (87.93 to 167.49)" 383 1 383 50 parsed_6eqy 1
77 "78. V 53 Psi 158.39 +/- 26.84 (131.55 to 185.23)" 388 1 388 51 parsed_6eqy 1
78 "79. H 55 Psi -38.17 +/- 17.74 (-55.91 to -20.43)" 393 1 393 51 parsed_6eqy 1
79 "80. Q 56 Psi -23.16 +/- 36.24 (-59.40 to 13.08)" 398 1 398 50 parsed_6eqy 1
80 "81. V 58 Psi 156.08 +/- 14.88 (141.20 to 170.96)" 403 1 403 51 parsed_6eqy 1
81 "82. T 59 Psi 142.98 +/- 38.36 (104.62 to 181.34)" 408 1 408 51 parsed_6eqy 1
82 "83. K 61 Psi 129.24 +/- 40.62 (88.62 to 169.86)" 413 1 413 50 parsed_6eqy 1
83 "84. R 65 Psi -22.92 +/- 36.64 (-59.56 to 13.72)" 418 1 418 50 parsed_6eqy 1
84 "85. V 68 Psi 138.47 +/- 24.74 (113.73 to 163.21)" 423 1 423 51 parsed_6eqy 1
85 "86. A 69 Psi 147.91 +/- 35.24 (112.67 to 183.15)" 428 1 428 51 parsed_6eqy 1
86 "87. L 70 Psi 133.42 +/- 26.42 (107.00 to 159.84)" 433 1 433 51 parsed_6eqy 1
87 "88. D 71 Psi 166.20 +/- 44.38 (121.82 to 210.58)" 438 1 438 51 parsed_6eqy 1
88 "89. E 73 Psi 9.72 +/- 17.24 (-7.52 to 26.96)" 443 1 443 47 parsed_6eqy 1
89 "90. Q 74 Psi 29.96 +/- 34.36 (-4.40 to 64.32)" 448 1 448 48 parsed_6eqy 1
90 "91. H 78 Psi 158.01 +/- 30.48 (127.53 to 188.49)" 453 1 453 51 parsed_6eqy 1
91 "92. V 79 Psi -38.72 +/- 13.34 (-52.06 to -25.38)" 458 1 458 51 parsed_6eqy 1
92 "93. V 83 Psi 163.79 +/- 25.92 (137.87 to 189.71)" 463 1 463 51 parsed_6eqy 1
93 "94. K 84 Psi 135.41 +/- 33.60 (101.81 to 169.01)" 468 1 468 51 parsed_6eqy 1
94 "95. D 87 Psi 154.45 +/- 18.44 (136.01 to 172.89)" 473 1 473 51 parsed_6eqy 1
95 "96. H 90 Psi -36.24 +/- 21.02 (-57.26 to -15.22)" 478 1 478 51 parsed_6eqy 1
96 "97. G 92 Psi -14.70 +/- 14.98 (-29.68 to 0.28)" 483 1 483 49 parsed_6eqy 1
97 "98. R 93 Psi 146.80 +/- 23.78 (123.02 to 170.58)" 488 1 488 51 parsed_6eqy 1
98 "99. E 94 Psi 151.33 +/- 26.24 (125.09 to 177.57)" 493 1 493 51 parsed_6eqy 1
99 "100. I 97 Psi 131.79 +/- 22.96 (108.83 to 154.75)" 498 1 498 52 parsed_6eqy 1
100 "101. H 99 Psi 151.44 +/- 24.94 (126.50 to 176.38)" 503 1 503 52 parsed_6eqy 1
101 "102. L 100 Psi 140.33 +/- 47.58 (92.75 to 187.91)" 508 1 508 52 parsed_6eqy 1
102 "103. F 101 Psi 137.00 +/- 34.98 (102.02 to 171.98)" 513 1 513 53 parsed_6eqy 1
103 "104. A 105 Psi 149.04 +/- 22.26 (126.78 to 171.30)" 518 1 518 53 parsed_6eqy 1
104 "105. F 106 Psi 125.45 +/- 25.68 (99.77 to 151.13)" 523 1 523 52 parsed_6eqy 1
105 "106. L 107 Psi 143.73 +/- 31.34 (112.39 to 175.07)" 528 1 528 53 parsed_6eqy 1
106 "107. H 108 Psi 144.34 +/- 37.26 (107.08 to 181.60)" 533 1 533 53 parsed_6eqy 1
107 "108. C 109 Psi 127.78 +/- 44.98 (82.80 to 172.76)" 538 1 538 52 parsed_6eqy 1
108 "109. E 114 Psi -31.19 +/- 24.72 (-55.91 to -6.47)" 543 1 543 52 parsed_6eqy 1
109 "110. F 119 Psi 148.90 +/- 36.36 (112.54 to 185.26)" 548 1 548 53 parsed_6eqy 1
110 "111. V 120 Psi 140.38 +/- 37.56 (102.82 to 177.94)" 553 1 553 53 parsed_6eqy 1
111 "112. C 121 Psi 148.00 +/- 26.92 (121.08 to 174.92)" 558 1 558 53 parsed_6eqy 1
112 "113. T 123 Psi -41.01 +/- 12.32 (-53.33 to -28.69)" 563 1 563 53 parsed_6eqy 1
113 "114. R 124 Psi -14.70 +/- 33.10 (-47.80 to 18.40)" 568 1 568 52 parsed_6eqy 1
114
;
115. H 125 Psi 154.40 +/- 21.10 (133.30 to 175.50)
assign (resid 125 and name N) (resid 125 and name CA)
(resid 125 and name C) (resid 126 and name N) 1.0 154.40 21.10 2
116. L 126 Psi 145.18 +/- 25.74 (119.44 to 170.92)
;
573 1 578 53 parsed_6eqy 1
115 "117. V 127 Psi 135.23 +/- 38.58 (96.65 to 173.81)" 583 1 583 52 parsed_6eqy 1
116 "118. L 128 Psi 129.91 +/- 19.44 (110.47 to 149.35)" 588 1 588 53 parsed_6eqy 1
117 "!! sidechains" 593 1 593 15 parsed_6eqy 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 1: kow4.restraints" 1 1 1 36 parsed_6eqy 1
stop_
save_
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