NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
632541 |
6er0   |
34185 | cing | 2-parsed | STAR | dihedral angle | 124 |
data_6er0_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6er0
_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_6er0 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6er0
_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 6er0 "Master copy" parsed_6er0
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6er0
_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 6er0.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6er0 1
1 6er0.mr . . XPLOR/CNS 2 distance NOE simple 561 parsed_6er0 1
1 6er0.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 96 parsed_6er0 1
1 6er0.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 124 parsed_6er0 1
1 6er0.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_6er0 1
1 6er0.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6er0 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6er0
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.22 -75.06 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_6er0 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.22 -119.42 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_6er0 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -167.43 -104.91 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_6er0 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -106.36 -54.00 . . 27 . C . 28 . N . 28 . CA . 28 . C parsed_6er0 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.98 -33.22 . . 29 . C . 30 . N . 30 . CA . 30 . C parsed_6er0 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -134.60 -72.44 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_6er0 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.14 -41.34 . . 32 . C . 33 . N . 33 . CA . 33 . C parsed_6er0 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.42 -49.78 . . 34 . C . 35 . N . 35 . CA . 35 . C parsed_6er0 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.82 -51.14 . . 35 . C . 36 . N . 36 . CA . 36 . C parsed_6er0 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.07 -28.63 . . 37 . C . 38 . N . 38 . CA . 38 . C parsed_6er0 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.61 -100.77 . . 40 . C . 41 . N . 41 . CA . 41 . C parsed_6er0 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -147.69 -95.29 . . 42 . C . 43 . N . 43 . CA . 43 . C parsed_6er0 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.98 -52.14 . . 43 . C . 44 . N . 44 . CA . 44 . C parsed_6er0 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -207.30 -85.06 . . 45 . C . 46 . N . 46 . CA . 46 . C parsed_6er0 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151.65 -82.49 . . 46 . C . 47 . N . 47 . CA . 47 . C parsed_6er0 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.70 -72.42 . . 47 . C . 48 . N . 48 . CA . 48 . C parsed_6er0 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -137.32 -54.12 . . 51 . C . 52 . N . 52 . CA . 52 . C parsed_6er0 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -157.13 -83.73 . . 53 . C . 54 . N . 54 . CA . 54 . C parsed_6er0 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.53 -72.81 . . 54 . C . 55 . N . 55 . CA . 55 . C parsed_6er0 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.65 -51.41 . . 56 . C . 57 . N . 57 . CA . 57 . C parsed_6er0 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.77 -50.57 . . 57 . C . 58 . N . 58 . CA . 58 . C parsed_6er0 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -127.40 -56.64 . . 58 . C . 59 . N . 59 . CA . 59 . C parsed_6er0 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.66 -68.98 . . 60 . C . 61 . N . 61 . CA . 61 . C parsed_6er0 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -123.60 -79.04 . . 61 . C . 62 . N . 62 . CA . 62 . C parsed_6er0 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.78 -93.82 . . 62 . C . 63 . N . 63 . CA . 63 . C parsed_6er0 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -118.29 -83.57 . . 63 . C . 64 . N . 64 . CA . 64 . C parsed_6er0 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.88 -95.68 . . 64 . C . 65 . N . 65 . CA . 65 . C parsed_6er0 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -113.14 -42.98 . . 65 . C . 66 . N . 66 . CA . 66 . C parsed_6er0 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.64 -46.08 . . 66 . C . 67 . N . 67 . CA . 67 . C parsed_6er0 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.20 -53.24 . . 67 . C . 68 . N . 68 . CA . 68 . C parsed_6er0 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.40 -104.44 . . 69 . C . 70 . N . 70 . CA . 70 . C parsed_6er0 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.99 -98.43 . . 70 . C . 71 . N . 71 . CA . 71 . C parsed_6er0 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.56 -47.56 . . 71 . C . 72 . N . 72 . CA . 72 . C parsed_6er0 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -122.49 -57.01 . . 72 . C . 73 . N . 73 . CA . 73 . C parsed_6er0 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -154.68 -69.20 . . 75 . C . 76 . N . 76 . CA . 76 . C parsed_6er0 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.89 -120.45 . . 80 . C . 81 . N . 81 . CA . 81 . C parsed_6er0 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -174.00 -105.08 . . 81 . C . 82 . N . 82 . CA . 82 . C parsed_6er0 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.82 -74.10 . . 83 . C . 84 . N . 84 . CA . 84 . C parsed_6er0 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.12 -110.20 . . 84 . C . 85 . N . 85 . CA . 85 . C parsed_6er0 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -106.91 -37.19 . . 86 . C . 87 . N . 87 . CA . 87 . C parsed_6er0 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -124.73 -51.69 . . 87 . C . 88 . N . 88 . CA . 88 . C parsed_6er0 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -163.29 -69.41 . . 91 . C . 92 . N . 92 . CA . 92 . C parsed_6er0 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.31 -95.51 . . 93 . C . 94 . N . 94 . CA . 94 . C parsed_6er0 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.21 -73.29 . . 94 . C . 95 . N . 95 . CA . 95 . C parsed_6er0 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.26 -74.98 . . 97 . C . 98 . N . 98 . CA . 98 . C parsed_6er0 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -177.39 -80.35 . . 98 . C . 99 . N . 99 . CA . 99 . C parsed_6er0 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -112.19 -88.79 . . 100 . C . 101 . N . 101 . CA . 101 . C parsed_6er0 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.46 -79.66 . . 103 . C . 104 . N . 104 . CA . 104 . C parsed_6er0 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.42 -90.62 . . 104 . C . 105 . N . 105 . CA . 105 . C parsed_6er0 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -131.00 -71.00 . . 105 . C . 106 . N . 106 . CA . 106 . C parsed_6er0 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.28 -57.88 . . 107 . C . 108 . N . 108 . CA . 108 . C parsed_6er0 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.95 -46.07 . . 108 . C . 109 . N . 109 . CA . 109 . C parsed_6er0 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -127.48 -71.52 . . 109 . C . 110 . N . 110 . CA . 110 . C parsed_6er0 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -117.38 -43.02 . . 111 . C . 112 . N . 112 . CA . 112 . C parsed_6er0 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -194.15 -68.35 . . 113 . C . 114 . N . 114 . CA . 114 . C parsed_6er0 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.36 -72.84 . . 114 . C . 115 . N . 115 . CA . 115 . C parsed_6er0 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -178.24 -97.84 . . 115 . C . 116 . N . 116 . CA . 116 . C parsed_6er0 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -131.13 -27.73 . . 116 . C . 117 . N . 117 . CA . 117 . C parsed_6er0 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.96 -47.48 . . 117 . C . 118 . N . 118 . CA . 118 . C parsed_6er0 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.35 -44.63 . . 118 . C . 119 . N . 119 . CA . 119 . C parsed_6er0 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -142.59 -52.27 . . 122 . C . 123 . N . 123 . CA . 123 . C parsed_6er0 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -123.84 -77.44 . . 123 . C . 124 . N . 124 . CA . 124 . C parsed_6er0 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.79 176.19 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_6er0 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.68 176.12 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_6er0 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.74 175.98 . . 27 . N . 27 . CA . 27 . C . 28 . N parsed_6er0 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.00 148.36 . . 28 . N . 28 . CA . 28 . C . 29 . N parsed_6er0 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.92 17.80 . . 30 . N . 30 . CA . 30 . C . 31 . N parsed_6er0 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -16.59 14.49 . . 31 . N . 31 . CA . 31 . C . 32 . N parsed_6er0 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.76 -7.84 . . 33 . N . 33 . CA . 33 . C . 34 . N parsed_6er0 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.78 -1.54 . . 35 . N . 35 . CA . 35 . C . 36 . N parsed_6er0 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.16 -14.96 . . 36 . N . 36 . CA . 36 . C . 37 . N parsed_6er0 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.50 152.90 . . 38 . N . 38 . CA . 38 . C . 39 . N parsed_6er0 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.70 184.02 . . 41 . N . 41 . CA . 41 . C . 42 . N parsed_6er0 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.67 166.59 . . 43 . N . 43 . CA . 43 . C . 44 . N parsed_6er0 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.13 156.29 . . 44 . N . 44 . CA . 44 . C . 45 . N parsed_6er0 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123.87 172.11 . . 46 . N . 46 . CA . 46 . C . 47 . N parsed_6er0 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.04 152.60 . . 47 . N . 47 . CA . 47 . C . 48 . N parsed_6er0 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.80 150.12 . . 48 . N . 48 . CA . 48 . C . 49 . N parsed_6er0 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 80.16 185.76 . . 52 . N . 52 . CA . 52 . C . 53 . N parsed_6er0 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.51 145.11 . . 54 . N . 54 . CA . 54 . C . 55 . N parsed_6er0 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104.98 143.06 . . 55 . N . 55 . CA . 55 . C . 56 . N parsed_6er0 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.61 -2.69 . . 57 . N . 57 . CA . 57 . C . 58 . N parsed_6er0 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44.78 -12.50 . . 58 . N . 58 . CA . 58 . C . 59 . N parsed_6er0 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -29.12 22.80 . . 59 . N . 59 . CA . 59 . C . 60 . N parsed_6er0 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 132.90 183.50 . . 61 . N . 61 . CA . 61 . C . 62 . N parsed_6er0 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.81 155.37 . . 62 . N . 62 . CA . 62 . C . 63 . N parsed_6er0 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.15 182.23 . . 63 . N . 63 . CA . 63 . C . 64 . N parsed_6er0 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.06 144.66 . . 64 . N . 64 . CA . 64 . C . 65 . N parsed_6er0 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.19 151.71 . . 65 . N . 65 . CA . 65 . C . 66 . N parsed_6er0 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.68 159.12 . . 66 . N . 66 . CA . 66 . C . 67 . N parsed_6er0 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.26 -28.38 . . 67 . N . 67 . CA . 67 . C . 68 . N parsed_6er0 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.57 -1.09 . . 68 . N . 68 . CA . 68 . C . 69 . N parsed_6er0 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.80 180.72 . . 70 . N . 70 . CA . 70 . C . 71 . N parsed_6er0 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123.90 188.02 . . 71 . N . 71 . CA . 71 . C . 72 . N parsed_6er0 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 128.57 168.49 . . 72 . N . 72 . CA . 72 . C . 73 . N parsed_6er0 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.65 152.45 . . 73 . N . 73 . CA . 73 . C . 74 . N parsed_6er0 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.49 200.97 . . 76 . N . 76 . CA . 76 . C . 77 . N parsed_6er0 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 152.95 180.83 . . 81 . N . 81 . CA . 81 . C . 82 . N parsed_6er0 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.48 167.76 . . 82 . N . 82 . CA . 82 . C . 83 . N parsed_6er0 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.82 21.74 . . 84 . N . 84 . CA . 84 . C . 85 . N parsed_6er0 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 136.18 181.62 . . 85 . N . 85 . CA . 85 . C . 86 . N parsed_6er0 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.59 -8.19 . . 87 . N . 87 . CA . 87 . C . 88 . N parsed_6er0 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -38.70 19.90 . . 88 . N . 88 . CA . 88 . C . 89 . N parsed_6er0 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 138.29 185.09 . . 92 . N . 92 . CA . 92 . C . 93 . N parsed_6er0 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.55 183.07 . . 94 . N . 94 . CA . 94 . C . 95 . N parsed_6er0 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 98.29 135.81 . . 95 . N . 95 . CA . 95 . C . 96 . N parsed_6er0 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.73 143.09 . . 98 . N . 98 . CA . 98 . C . 99 . N parsed_6er0 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 80.30 157.34 . . 99 . N . 99 . CA . 99 . C . 100 . N parsed_6er0 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -33.91 29.53 . . 101 . N . 101 . CA . 101 . C . 102 . N parsed_6er0 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.42 155.62 . . 104 . N . 104 . CA . 104 . C . 105 . N parsed_6er0 1
111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104.17 167.81 . . 105 . N . 105 . CA . 105 . C . 106 . N parsed_6er0 1
112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 97.32 137.68 . . 106 . N . 106 . CA . 106 . C . 107 . N parsed_6er0 1
113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.29 -14.13 . . 108 . N . 108 . CA . 108 . C . 109 . N parsed_6er0 1
114 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.26 -12.50 . . 109 . N . 109 . CA . 109 . C . 110 . N parsed_6er0 1
115 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -15.56 32.48 . . 110 . N . 110 . CA . 110 . C . 111 . N parsed_6er0 1
116 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 91.51 187.23 . . 112 . N . 112 . CA . 112 . C . 113 . N parsed_6er0 1
117 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.18 172.46 . . 114 . N . 114 . CA . 114 . C . 115 . N parsed_6er0 1
118 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.28 146.04 . . 115 . N . 115 . CA . 115 . C . 116 . N parsed_6er0 1
119 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.56 179.48 . . 116 . N . 116 . CA . 116 . C . 117 . N parsed_6er0 1
120 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.86 175.26 . . 117 . N . 117 . CA . 117 . C . 118 . N parsed_6er0 1
121 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.81 -14.69 . . 118 . N . 118 . CA . 118 . C . 119 . N parsed_6er0 1
122 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44.12 -2.24 . . 119 . N . 119 . CA . 119 . C . 120 . N parsed_6er0 1
123 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.10 156.26 . . 123 . N . 123 . CA . 123 . C . 124 . N parsed_6er0 1
124 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104.97 156.85 . . 124 . N . 124 . CA . 124 . C . 125 . N parsed_6er0 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 "4. Q 25 Phi -112.14 +/- 37.08 (-149.22 to -75.06)" 1 1 1 52 parsed_6er0 1
2 "5. V 26 Phi -135.82 +/- 16.40 (-152.22 to -119.42)" 6 1 6 53 parsed_6er0 1
3 "6. K 27 Phi -136.17 +/- 31.26 (-167.43 to -104.91)" 11 1 11 53 parsed_6er0 1
4 "7. V 28 Phi -80.18 +/- 26.18 (-106.36 to -54.00)" 16 1 16 51 parsed_6er0 1
5 "8. D 30 Phi -69.60 +/- 36.38 (-105.98 to -33.22)" 21 1 21 51 parsed_6er0 1
6 "9. T 31 Phi -103.52 +/- 31.08 (-134.60 to -72.44)" 26 1 26 52 parsed_6er0 1
7 "10. L 33 Phi -60.24 +/- 18.90 (-79.14 to -41.34)" 31 1 31 51 parsed_6er0 1
8 "11. T 35 Phi -61.60 +/- 11.82 (-73.42 to -49.78)" 36 1 36 51 parsed_6er0 1
9 "12. Q 36 Phi -78.48 +/- 27.34 (-105.82 to -51.14)" 41 1 41 52 parsed_6er0 1
10 "13. V 38 Phi -66.35 +/- 37.72 (-104.07 to -28.63)" 46 1 46 52 parsed_6er0 1
11 "14. T 41 Phi -125.19 +/- 24.42 (-149.61 to -100.77)" 51 1 51 54 parsed_6er0 1
12 "15. V 43 Phi -121.49 +/- 26.20 (-147.69 to -95.29)" 56 1 56 53 parsed_6er0 1
13 "16. I 44 Phi -71.56 +/- 19.42 (-90.98 to -52.14)" 61 1 61 51 parsed_6er0 1
14 "17. S 46 Phi -146.18 +/- 61.12 (-207.30 to -85.06)" 66 1 66 53 parsed_6er0 1
15 "18. V 47 Phi -117.07 +/- 34.58 (-151.65 to -82.49)" 71 1 71 53 parsed_6er0 1
16 "19. T 48 Phi -119.06 +/- 46.64 (-165.70 to -72.42)" 76 1 76 53 parsed_6er0 1
17 "20. C 52 Phi -95.72 +/- 41.60 (-137.32 to -54.12)" 81 1 81 52 parsed_6er0 1
18 "21. V 54 Phi -120.43 +/- 36.70 (-157.13 to -83.73)" 86 1 86 53 parsed_6er0 1
19 "22. Y 55 Phi -109.17 +/- 36.36 (-145.53 to -72.81)" 91 1 91 53 parsed_6er0 1
20 "23. K 57 Phi -62.03 +/- 10.62 (-72.65 to -51.41)" 96 1 96 51 parsed_6er0 1
21 "24. D 58 Phi -68.17 +/- 17.60 (-85.77 to -50.57)" 101 1 101 51 parsed_6er0 1
22 "25. S 59 Phi -92.02 +/- 35.38 (-127.40 to -56.64)" 106 1 106 52 parsed_6er0 1
23 "26. K 61 Phi -119.82 +/- 50.84 (-170.66 to -68.98)" 111 1 111 53 parsed_6er0 1
24 "27. V 62 Phi -101.32 +/- 22.28 (-123.60 to -79.04)" 116 1 116 53 parsed_6er0 1
25 "28. V 63 Phi -127.30 +/- 33.48 (-160.78 to -93.82)" 121 1 121 53 parsed_6er0 1
26 "29. S 64 Phi -100.93 +/- 17.36 (-118.29 to -83.57)" 126 1 126 53 parsed_6er0 1
27 "30. I 65 Phi -123.28 +/- 27.60 (-150.88 to -95.68)" 131 1 131 53 parsed_6er0 1
28 "31. S 66 Phi -78.06 +/- 35.08 (-113.14 to -42.98)" 136 1 136 52 parsed_6er0 1
29 "32. S 67 Phi -57.36 +/- 11.28 (-68.64 to -46.08)" 141 1 141 51 parsed_6er0 1
30 "33. E 68 Phi -72.72 +/- 19.48 (-92.20 to -53.24)" 146 1 146 51 parsed_6er0 1
31 "34. L 70 Phi -132.42 +/- 27.98 (-160.40 to -104.44)" 151 1 151 54 parsed_6er0 1
32 "35. E 71 Phi -137.21 +/- 38.78 (-175.99 to -98.43)" 156 1 156 53 parsed_6er0 1
33 "36. P 72 Phi -65.06 +/- 17.50 (-82.56 to -47.56)" 161 1 161 51 parsed_6er0 1
34 "37. I 73 Phi -89.75 +/- 32.74 (-122.49 to -57.01)" 166 1 166 52 parsed_6er0 1
35 "38. T 76 Phi -111.94 +/- 42.74 (-154.68 to -69.20)" 171 1 171 53 parsed_6er0 1
36 "39. V 81 Phi -135.67 +/- 15.22 (-150.89 to -120.45)" 176 1 176 54 parsed_6er0 1
37 "40. K 82 Phi -139.54 +/- 34.46 (-174.00 to -105.08)" 181 1 181 54 parsed_6er0 1
38 "41. I 84 Phi -104.96 +/- 30.86 (-135.82 to -74.10)" 186 1 186 53 parsed_6er0 1
39 "42. L 85 Phi -142.66 +/- 32.46 (-175.12 to -110.20)" 191 1 191 54 parsed_6er0 1
40 "43. E 87 Phi -72.05 +/- 34.86 (-106.91 to -37.19)" 196 1 196 52 parsed_6er0 1
41 "44. D 88 Phi -88.21 +/- 36.52 (-124.73 to -51.69)" 201 1 201 52 parsed_6er0 1
42 "45. T 92 Phi -116.35 +/- 46.94 (-163.29 to -69.41)" 206 1 206 53 parsed_6er0 1
43 "46. V 94 Phi -121.91 +/- 26.40 (-148.31 to -95.51)" 211 1 211 53 parsed_6er0 1
44 "47. L 95 Phi -104.25 +/- 30.96 (-135.21 to -73.29)" 216 1 216 53 parsed_6er0 1
45 "48. I 98 Phi -117.62 +/- 42.64 (-160.26 to -74.98)" 221 1 221 53 parsed_6er0 1
46 "49. D 99 Phi -128.87 +/- 48.52 (-177.39 to -80.35)" 226 1 226 53 parsed_6er0 1
47 "50. E 101 Phi -100.49 +/- 11.70 (-112.19 to -88.79)" 231 1 231 54 parsed_6er0 1
48 "51. I 104 Phi -109.56 +/- 29.90 (-139.46 to -79.66)" 236 1 236 54 parsed_6er0 1
49 "52. V 105 Phi -115.52 +/- 24.90 (-140.42 to -90.62)" 241 1 241 54 parsed_6er0 1
50 "53. R 106 Phi -101.00 +/- 30.00 (-131.00 to -71.00)" 246 1 246 54 parsed_6er0 1
51 "54. D 108 Phi -64.58 +/- 6.70 (-71.28 to -57.88)" 251 1 251 51 parsed_6er0 1
52 "55. L 109 Phi -67.51 +/- 21.44 (-88.95 to -46.07)" 256 1 256 52 parsed_6er0 1
53 "56. D 110 Phi -99.50 +/- 27.98 (-127.48 to -71.52)" 261 1 261 53 parsed_6er0 1
54 "57. Q 112 Phi -80.20 +/- 37.18 (-117.38 to -43.02)" 266 1 266 53 parsed_6er0 1
55 "58. K 114 Phi -131.25 +/- 62.90 (-194.15 to -68.35)" 271 1 271 54 parsed_6er0 1
56 "59. I 115 Phi -99.60 +/- 26.76 (-126.36 to -72.84)" 276 1 276 53 parsed_6er0 1
57 "60. L 116 Phi -138.04 +/- 40.20 (-178.24 to -97.84)" 281 1 281 54 parsed_6er0 1
58 "61. N 117 Phi -79.43 +/- 51.70 (-131.13 to -27.73)" 286 1 286 53 parsed_6er0 1
59 "62. L 118 Phi -63.22 +/- 15.74 (-78.96 to -47.48)" 291 1 291 52 parsed_6er0 1
60 "63. R 119 Phi -66.99 +/- 22.36 (-89.35 to -44.63)" 296 1 296 52 parsed_6er0 1
61 "64. K 123 Phi -97.43 +/- 45.16 (-142.59 to -52.27)" 301 1 301 53 parsed_6er0 1
62 "65. L 124 Phi -100.64 +/- 23.20 (-123.84 to -77.44)" 306 1 306 54 parsed_6er0 1
63
;
66. Y 3 Psi 135.91 +/- 26.18 (109.73 to 162.09)
assign (resid 3 and name N) (resid 3 and name CA)
(resid 3 and name C) (resid 4 and name N) 1.0 135.91 26.18 2
67. N 4 Psi 139.59 +/- 38.14 (101.45 to 177.73)
assign (resid 4 and name N) (resid 4 and name CA)
(resid 4 and name C) (resid 5 and name N) 1.0 139.59 38.14 2
68. T 7 Psi 133.75 +/- 56.04 (77.71 to 189.79)
assign (resid 7 and name N) (resid 7 and name CA)
(resid 7 and name C) (resid 8 and name N) 1.0 133.75 56.04 2
69. Q 25 Psi 145.49 +/- 30.70 (114.79 to 176.19)
;
312 1 327 51 parsed_6er0 1
64 "70. V 26 Psi 158.40 +/- 17.72 (140.68 to 176.12)" 332 1 332 51 parsed_6er0 1
65 "71. K 27 Psi 145.86 +/- 30.12 (115.74 to 175.98)" 337 1 337 51 parsed_6er0 1
66 "72. V 28 Psi 127.18 +/- 21.18 (106.00 to 148.36)" 342 1 342 51 parsed_6er0 1
67 "73. D 30 Psi -16.06 +/- 33.86 (-49.92 to 17.80)" 347 1 347 50 parsed_6er0 1
68 "74. T 31 Psi -1.05 +/- 15.54 (-16.59 to 14.49)" 352 1 352 49 parsed_6er0 1
69 "75. L 33 Psi -29.30 +/- 21.46 (-50.76 to -7.84)" 357 1 357 50 parsed_6er0 1
70 "76. T 35 Psi -24.16 +/- 22.62 (-46.78 to -1.54)" 362 1 362 50 parsed_6er0 1
71 "77. Q 36 Psi -35.06 +/- 20.10 (-55.16 to -14.96)" 367 1 367 51 parsed_6er0 1
72 "78. V 38 Psi 134.20 +/- 18.70 (115.50 to 152.90)" 372 1 372 51 parsed_6er0 1
73 "79. T 41 Psi 149.36 +/- 34.66 (114.70 to 184.02)" 377 1 377 51 parsed_6er0 1
74 "80. V 43 Psi 139.63 +/- 26.96 (112.67 to 166.59)" 382 1 382 51 parsed_6er0 1
75 "81. I 44 Psi 133.21 +/- 23.08 (110.13 to 156.29)" 387 1 387 51 parsed_6er0 1
76 "82. S 46 Psi 147.99 +/- 24.12 (123.87 to 172.11)" 392 1 392 51 parsed_6er0 1
77 "83. V 47 Psi 132.82 +/- 19.78 (113.04 to 152.60)" 397 1 397 51 parsed_6er0 1
78 "84. T 48 Psi 120.46 +/- 29.66 (90.80 to 150.12)" 402 1 402 50 parsed_6er0 1
79 "85. C 52 Psi 132.96 +/- 52.80 (80.16 to 185.76)" 407 1 407 50 parsed_6er0 1
80 "86. V 54 Psi 125.81 +/- 19.30 (106.51 to 145.11)" 412 1 412 51 parsed_6er0 1
81 "87. Y 55 Psi 124.02 +/- 19.04 (104.98 to 143.06)" 417 1 417 51 parsed_6er0 1
82 "88. K 57 Psi -27.65 +/- 24.96 (-52.61 to -2.69)" 422 1 422 50 parsed_6er0 1
83 "89. D 58 Psi -28.64 +/- 16.14 (-44.78 to -12.50)" 427 1 427 51 parsed_6er0 1
84 "90. S 59 Psi -3.16 +/- 25.96 (-29.12 to 22.80)" 432 1 432 49 parsed_6er0 1
85 "91. K 61 Psi 158.20 +/- 25.30 (132.90 to 183.50)" 437 1 437 51 parsed_6er0 1
86 "92. V 62 Psi 132.09 +/- 23.28 (108.81 to 155.37)" 442 1 442 51 parsed_6er0 1
87 "93. V 63 Psi 147.69 +/- 34.54 (113.15 to 182.23)" 447 1 447 51 parsed_6er0 1
88 "94. S 64 Psi 128.36 +/- 16.30 (112.06 to 144.66)" 452 1 452 51 parsed_6er0 1
89 "95. I 65 Psi 131.45 +/- 20.26 (111.19 to 151.71)" 457 1 457 51 parsed_6er0 1
90 "96. S 66 Psi 142.40 +/- 16.72 (125.68 to 159.12)" 462 1 462 51 parsed_6er0 1
91 "97. S 67 Psi -39.32 +/- 10.94 (-50.26 to -28.38)" 467 1 467 51 parsed_6er0 1
92 "98. E 68 Psi -27.33 +/- 26.24 (-53.57 to -1.09)" 472 1 472 50 parsed_6er0 1
93 "99. L 70 Psi 155.76 +/- 24.96 (130.80 to 180.72)" 477 1 477 51 parsed_6er0 1
94 "100. E 71 Psi 155.96 +/- 32.06 (123.90 to 188.02)" 482 1 482 52 parsed_6er0 1
95 "101. P 72 Psi 148.53 +/- 19.96 (128.57 to 168.49)" 487 1 487 52 parsed_6er0 1
96 "102. I 73 Psi 126.55 +/- 25.90 (100.65 to 152.45)" 492 1 492 52 parsed_6er0 1
97 "103. T 76 Psi 164.23 +/- 36.74 (127.49 to 200.97)" 497 1 497 52 parsed_6er0 1
98 "104. V 81 Psi 166.89 +/- 13.94 (152.95 to 180.83)" 502 1 502 52 parsed_6er0 1
99 "105. K 82 Psi 137.12 +/- 30.64 (106.48 to 167.76)" 507 1 507 52 parsed_6er0 1
100 "106. I 84 Psi -13.54 +/- 35.28 (-48.82 to 21.74)" 512 1 512 51 parsed_6er0 1
101 "107. L 85 Psi 158.90 +/- 22.72 (136.18 to 181.62)" 517 1 517 52 parsed_6er0 1
102 "108. E 87 Psi -29.39 +/- 21.20 (-50.59 to -8.19)" 522 1 522 51 parsed_6er0 1
103 "109. D 88 Psi -9.40 +/- 29.30 (-38.70 to 19.90)" 527 1 527 50 parsed_6er0 1
104 "110. T 92 Psi 161.69 +/- 23.40 (138.29 to 185.09)" 532 1 532 52 parsed_6er0 1
105 "111. V 94 Psi 141.81 +/- 41.26 (100.55 to 183.07)" 537 1 537 52 parsed_6er0 1
106 "112. L 95 Psi 117.05 +/- 18.76 (98.29 to 135.81)" 542 1 542 51 parsed_6er0 1
107 "113. I 98 Psi 127.91 +/- 15.18 (112.73 to 143.09)" 547 1 547 52 parsed_6er0 1
108 "114. D 99 Psi 118.82 +/- 38.52 (80.30 to 157.34)" 552 1 552 51 parsed_6er0 1
109 "115. E 101 Psi -2.19 +/- 31.72 (-33.91 to 29.53)" 557 1 557 51 parsed_6er0 1
110 "116. I 104 Psi 129.02 +/- 26.60 (102.42 to 155.62)" 562 1 562 53 parsed_6er0 1
111 "117. V 105 Psi 135.99 +/- 31.82 (104.17 to 167.81)" 567 1 567 53 parsed_6er0 1
112 "118. R 106 Psi 117.50 +/- 20.18 (97.32 to 137.68)" 572 1 572 52 parsed_6er0 1
113 "119. D 108 Psi -32.71 +/- 18.58 (-51.29 to -14.13)" 577 1 577 53 parsed_6er0 1
114 "120. L 109 Psi -32.88 +/- 20.38 (-53.26 to -12.50)" 582 1 582 53 parsed_6er0 1
115 "121. D 110 Psi 8.46 +/- 24.02 (-15.56 to 32.48)" 587 1 587 50 parsed_6er0 1
116 "122. Q 112 Psi 139.37 +/- 47.86 (91.51 to 187.23)" 592 1 592 52 parsed_6er0 1
117 "123. K 114 Psi 146.32 +/- 26.14 (120.18 to 172.46)" 597 1 597 53 parsed_6er0 1
118 "124. I 115 Psi 132.16 +/- 13.88 (118.28 to 146.04)" 602 1 602 53 parsed_6er0 1
119 "125. L 116 Psi 149.02 +/- 30.46 (118.56 to 179.48)" 607 1 607 53 parsed_6er0 1
120 "126. N 117 Psi 135.56 +/- 39.70 (95.86 to 175.26)" 612 1 612 52 parsed_6er0 1
121 "127. L 118 Psi -37.25 +/- 22.56 (-59.81 to -14.69)" 617 1 617 53 parsed_6er0 1
122 "128. R 119 Psi -23.18 +/- 20.94 (-44.12 to -2.24)" 622 1 622 52 parsed_6er0 1
123 "129. K 123 Psi 138.68 +/- 17.58 (121.10 to 156.26)" 627 1 627 53 parsed_6er0 1
124 "130. L 124 Psi 130.91 +/- 25.94 (104.97 to 156.85)" 632 1 632 53 parsed_6er0 1
stop_
save_
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