NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
41996 |
1xs8   |
6359 | cing | 2-parsed | STAR | dihedral angle | 106 |
data_1xs8_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1xs8
_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_1xs8 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1xs8
_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 1xs8 "Master copy" parsed_1xs8
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1xs8
_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 1xs8.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1xs8 1
1 1xs8.mr . . XPLOR/CNS 2 distance NOE simple 1405 parsed_1xs8 1
1 1xs8.mr . . XPLOR/CNS 3 distance NOE ambi 1005 parsed_1xs8 1
1 1xs8.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 52 parsed_1xs8 1
1 1xs8.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 106 parsed_1xs8 1
1 1xs8.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1xs8 1
stop_
save_
save_CNS/XPLOR_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1xs8
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 5
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -142.65 -82.65 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_1xs8 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -127.59 -67.59 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_1xs8 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -129.91 -69.91 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_1xs8 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.15 -40.15 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_1xs8 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.69 -55.69 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_1xs8 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -157.66 -97.66 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_1xs8 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.43 -31.43 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_1xs8 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.74 -33.74 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_1xs8 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.70 -35.70 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_1xs8 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.12 -36.12 . . 27 . C . 28 . N . 28 . CA . 28 . C parsed_1xs8 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.66 -40.66 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_1xs8 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.97 -34.97 . . 29 . C . 30 . N . 30 . CA . 30 . C parsed_1xs8 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.07 -39.07 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_1xs8 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -103.47 -43.47 . . 31 . C . 32 . N . 32 . CA . 32 . C parsed_1xs8 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.91 -34.91 . . 35 . C . 36 . N . 36 . CA . 36 . C parsed_1xs8 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.00 -36.00 . . 36 . C . 37 . N . 37 . CA . 37 . C parsed_1xs8 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.31 -35.31 . . 37 . C . 38 . N . 38 . CA . 38 . C parsed_1xs8 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.95 -32.95 . . 38 . C . 39 . N . 39 . CA . 39 . C parsed_1xs8 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.22 -35.22 . . 39 . C . 40 . N . 40 . CA . 40 . C parsed_1xs8 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.26 -36.26 . . 40 . C . 41 . N . 41 . CA . 41 . C parsed_1xs8 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.89 -37.89 . . 41 . C . 42 . N . 42 . CA . 42 . C parsed_1xs8 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.42 -33.42 . . 42 . C . 43 . N . 43 . CA . 43 . C parsed_1xs8 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.53 -35.53 . . 43 . C . 44 . N . 44 . CA . 44 . C parsed_1xs8 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.36 -38.36 . . 44 . C . 45 . N . 45 . CA . 45 . C parsed_1xs8 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.54 -34.54 . . 45 . C . 46 . N . 46 . CA . 46 . C parsed_1xs8 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.57 -38.57 . . 46 . C . 47 . N . 47 . CA . 47 . C parsed_1xs8 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.27 -35.27 . . 47 . C . 48 . N . 48 . CA . 48 . C parsed_1xs8 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.75 -34.75 . . 48 . C . 49 . N . 49 . CA . 49 . C parsed_1xs8 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.95 -36.95 . . 49 . C . 50 . N . 50 . CA . 50 . C parsed_1xs8 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.73 -34.73 . . 50 . C . 51 . N . 51 . CA . 51 . C parsed_1xs8 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -119.49 -59.49 . . 52 . C . 53 . N . 53 . CA . 53 . C parsed_1xs8 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.64 -60.64 . . 55 . C . 56 . N . 56 . CA . 56 . C parsed_1xs8 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.20 -31.20 . . 59 . C . 60 . N . 60 . CA . 60 . C parsed_1xs8 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.48 -31.48 . . 60 . C . 61 . N . 61 . CA . 61 . C parsed_1xs8 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.42 -33.42 . . 61 . C . 62 . N . 62 . CA . 62 . C parsed_1xs8 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.59 -34.59 . . 62 . C . 63 . N . 63 . CA . 63 . C parsed_1xs8 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.21 -36.21 . . 63 . C . 64 . N . 64 . CA . 64 . C parsed_1xs8 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.12 -35.12 . . 64 . C . 65 . N . 65 . CA . 65 . C parsed_1xs8 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.56 -34.56 . . 65 . C . 66 . N . 66 . CA . 66 . C parsed_1xs8 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.59 -36.59 . . 66 . C . 67 . N . 67 . CA . 67 . C parsed_1xs8 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.21 -34.21 . . 67 . C . 68 . N . 68 . CA . 68 . C parsed_1xs8 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.97 -34.97 . . 68 . C . 69 . N . 69 . CA . 69 . C parsed_1xs8 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.23 -35.23 . . 69 . C . 70 . N . 70 . CA . 70 . C parsed_1xs8 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.94 -35.94 . . 70 . C . 71 . N . 71 . CA . 71 . C parsed_1xs8 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.00 -34.00 . . 71 . C . 72 . N . 72 . CA . 72 . C parsed_1xs8 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.23 -39.23 . . 72 . C . 73 . N . 73 . CA . 73 . C parsed_1xs8 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -112.21 -52.21 . . 73 . C . 74 . N . 74 . CA . 74 . C parsed_1xs8 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -137.57 -77.57 . . 74 . C . 75 . N . 75 . CA . 75 . C parsed_1xs8 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -124.18 -64.18 . . 77 . C . 78 . N . 78 . CA . 78 . C parsed_1xs8 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.12 -66.12 . . 79 . C . 80 . N . 80 . CA . 80 . C parsed_1xs8 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -121.42 -61.42 . . 80 . C . 81 . N . 81 . CA . 81 . C parsed_1xs8 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -129.18 -69.18 . . 81 . C . 82 . N . 82 . CA . 82 . C parsed_1xs8 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.31 -75.31 . . 85 . C . 86 . N . 86 . CA . 86 . C parsed_1xs8 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 92.63 152.63 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_1xs8 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.92 155.92 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_1xs8 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.87 149.87 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_1xs8 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.94 -2.94 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_1xs8 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.99 160.99 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_1xs8 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.94 178.94 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_1xs8 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.92 -8.92 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_1xs8 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.44 -12.44 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_1xs8 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.52 -6.52 . . 27 . N . 27 . CA . 27 . C . 28 . N parsed_1xs8 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.94 -10.94 . . 28 . N . 28 . CA . 28 . C . 29 . N parsed_1xs8 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.07 -3.07 . . 29 . N . 29 . CA . 29 . C . 30 . N parsed_1xs8 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.60 -11.60 . . 30 . N . 30 . CA . 30 . C . 31 . N parsed_1xs8 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.35 -9.35 . . 31 . N . 31 . CA . 31 . C . 32 . N parsed_1xs8 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.88 0.12 . . 32 . N . 32 . CA . 32 . C . 33 . N parsed_1xs8 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.38 -10.38 . . 36 . N . 36 . CA . 36 . C . 37 . N parsed_1xs8 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.65 -11.65 . . 37 . N . 37 . CA . 37 . C . 38 . N parsed_1xs8 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.90 -12.90 . . 38 . N . 38 . CA . 38 . C . 39 . N parsed_1xs8 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.57 -11.57 . . 39 . N . 39 . CA . 39 . C . 40 . N parsed_1xs8 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.35 -9.35 . . 40 . N . 40 . CA . 40 . C . 41 . N parsed_1xs8 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.47 -9.47 . . 41 . N . 41 . CA . 41 . C . 42 . N parsed_1xs8 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.88 -11.88 . . 42 . N . 42 . CA . 42 . C . 43 . N parsed_1xs8 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.96 -15.96 . . 43 . N . 43 . CA . 43 . C . 44 . N parsed_1xs8 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.45 -6.45 . . 44 . N . 44 . CA . 44 . C . 45 . N parsed_1xs8 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.81 -9.81 . . 45 . N . 45 . CA . 45 . C . 46 . N parsed_1xs8 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.24 -10.24 . . 46 . N . 46 . CA . 46 . C . 47 . N parsed_1xs8 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.09 -7.09 . . 47 . N . 47 . CA . 47 . C . 48 . N parsed_1xs8 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.91 -8.91 . . 48 . N . 48 . CA . 48 . C . 49 . N parsed_1xs8 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.80 -13.80 . . 49 . N . 49 . CA . 49 . C . 50 . N parsed_1xs8 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.63 -10.63 . . 50 . N . 50 . CA . 50 . C . 51 . N parsed_1xs8 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.68 -8.68 . . 51 . N . 51 . CA . 51 . C . 52 . N parsed_1xs8 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -27.93 32.07 . . 53 . N . 53 . CA . 53 . C . 54 . N parsed_1xs8 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.38 149.38 . . 56 . N . 56 . CA . 56 . C . 57 . N parsed_1xs8 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.45 -5.45 . . 60 . N . 60 . CA . 60 . C . 61 . N parsed_1xs8 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.93 -14.93 . . 61 . N . 61 . CA . 61 . C . 62 . N parsed_1xs8 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.32 -12.32 . . 62 . N . 62 . CA . 62 . C . 63 . N parsed_1xs8 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.17 -10.17 . . 63 . N . 63 . CA . 63 . C . 64 . N parsed_1xs8 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.99 -12.99 . . 64 . N . 64 . CA . 64 . C . 65 . N parsed_1xs8 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.82 -8.82 . . 65 . N . 65 . CA . 65 . C . 66 . N parsed_1xs8 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.50 -9.50 . . 66 . N . 66 . CA . 66 . C . 67 . N parsed_1xs8 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.03 -13.03 . . 67 . N . 67 . CA . 67 . C . 68 . N parsed_1xs8 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.42 -7.42 . . 68 . N . 68 . CA . 68 . C . 69 . N parsed_1xs8 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.29 -7.29 . . 69 . N . 69 . CA . 69 . C . 70 . N parsed_1xs8 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.39 -13.39 . . 70 . N . 70 . CA . 70 . C . 71 . N parsed_1xs8 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.45 -8.45 . . 71 . N . 71 . CA . 71 . C . 72 . N parsed_1xs8 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.61 -10.61 . . 72 . N . 72 . CA . 72 . C . 73 . N parsed_1xs8 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.59 -3.59 . . 73 . N . 73 . CA . 73 . C . 74 . N parsed_1xs8 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.34 5.66 . . 74 . N . 74 . CA . 74 . C . 75 . N parsed_1xs8 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.56 17.44 . . 75 . N . 75 . CA . 75 . C . 76 . N parsed_1xs8 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.78 178.78 . . 78 . N . 78 . CA . 78 . C . 79 . N parsed_1xs8 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 85.48 145.48 . . 80 . N . 80 . CA . 80 . C . 81 . N parsed_1xs8 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99.50 159.50 . . 81 . N . 81 . CA . 81 . C . 82 . N parsed_1xs8 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 88.34 148.34 . . 82 . N . 82 . CA . 82 . C . 83 . N parsed_1xs8 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.67 155.67 . . 86 . N . 86 . CA . 86 . C . 87 . N parsed_1xs8 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
;
dihedrals
R 3 Phi -112.65
;
2 1 3 19 parsed_1xs8 1
2 "T 4 Phi -97.59" 8 1 8 19 parsed_1xs8 1
3 "F 6 Phi -99.91" 13 1 13 19 parsed_1xs8 1
4 "Y 9 Phi -70.15" 18 1 18 19 parsed_1xs8 1
5 "D 13 Phi -85.69" 23 1 23 20 parsed_1xs8 1
6 "A 14 Phi -127.66" 28 1 28 20 parsed_1xs8 1
7 "E 25 Phi -61.43" 33 1 33 20 parsed_1xs8 1
8 "L 26 Phi -63.74" 38 1 38 20 parsed_1xs8 1
9 "G 27 Phi -65.70" 43 1 43 20 parsed_1xs8 1
10 "K 28 Phi -66.12" 48 1 48 20 parsed_1xs8 1
11 "R 29 Phi -70.66" 53 1 53 20 parsed_1xs8 1
12 "I 30 Phi -64.97" 58 1 58 20 parsed_1xs8 1
13 "Y 31 Phi -69.07" 63 1 63 20 parsed_1xs8 1
14 "N 32 Phi -73.47" 68 1 68 20 parsed_1xs8 1
15 "K 36 Phi -64.91" 73 1 73 20 parsed_1xs8 1
16 "D 37 Phi -66.00" 78 1 78 20 parsed_1xs8 1
17 "A 38 Phi -65.31" 83 1 83 20 parsed_1xs8 1
18 "W 39 Phi -62.95" 88 1 88 20 parsed_1xs8 1
19 "A 40 Phi -65.22" 93 1 93 20 parsed_1xs8 1
20 "Q 41 Phi -66.26" 98 1 98 20 parsed_1xs8 1
21 "W 42 Phi -67.89" 103 1 103 20 parsed_1xs8 1
22 "Q 43 Phi -63.42" 108 1 108 20 parsed_1xs8 1
23 "H 44 Phi -65.53" 113 1 113 20 parsed_1xs8 1
24 "K 45 Phi -68.36" 118 1 118 20 parsed_1xs8 1
25 "Q 46 Phi -64.54" 123 1 123 20 parsed_1xs8 1
26 "T 47 Phi -68.57" 128 1 128 20 parsed_1xs8 1
27 "M 48 Phi -65.27" 133 1 133 20 parsed_1xs8 1
28 "L 49 Phi -64.75" 138 1 138 20 parsed_1xs8 1
29 "I 50 Phi -66.95" 143 1 143 20 parsed_1xs8 1
30 "N 51 Phi -64.73" 148 1 148 20 parsed_1xs8 1
31 "K 53 Phi -89.49" 153 1 153 20 parsed_1xs8 1
32 "N 56 Phi -90.64" 158 1 158 20 parsed_1xs8 1
33 "A 60 Phi -61.20" 163 1 163 20 parsed_1xs8 1
34 "E 61 Phi -61.48" 168 1 168 20 parsed_1xs8 1
35 "H 62 Phi -63.42" 173 1 173 20 parsed_1xs8 1
36 "R 63 Phi -64.59" 178 1 178 20 parsed_1xs8 1
37 "K 64 Phi -66.21" 183 1 183 20 parsed_1xs8 1
38 "L 65 Phi -65.12" 188 1 188 20 parsed_1xs8 1
39 "L 66 Phi -64.56" 193 1 193 20 parsed_1xs8 1
40 "E 67 Phi -66.59" 198 1 198 20 parsed_1xs8 1
41 "Q 68 Phi -64.21" 203 1 203 20 parsed_1xs8 1
42 "E 69 Phi -64.97" 208 1 208 20 parsed_1xs8 1
43 "M 70 Phi -65.23" 213 1 213 20 parsed_1xs8 1
44 "V 71 Phi -65.94" 218 1 218 20 parsed_1xs8 1
45 "S 72 Phi -64.00" 223 1 223 20 parsed_1xs8 1
46 "F 73 Phi -69.23" 228 1 228 20 parsed_1xs8 1
47 "L 74 Phi -82.21" 233 1 233 20 parsed_1xs8 1
48 "F 75 Phi -107.57" 238 1 238 20 parsed_1xs8 1
49 "K 78 Phi -94.18" 243 1 243 20 parsed_1xs8 1
50 "V 80 Phi -96.12" 248 1 248 20 parsed_1xs8 1
51 "H 81 Phi -91.42" 253 1 253 20 parsed_1xs8 1
52 "I 82 Phi -99.18" 258 1 258 20 parsed_1xs8 1
53 "T 86 Phi -105.31" 263 1 263 20 parsed_1xs8 1
54 "R 3 Psi 122.63" 269 1 269 19 parsed_1xs8 1
55 "T 4 Psi 125.92" 274 1 274 19 parsed_1xs8 1
56 "F 6 Psi 119.87" 279 1 279 19 parsed_1xs8 1
57 "Y 9 Psi -32.94" 284 1 284 19 parsed_1xs8 1
58 "D 13 Psi 130.99" 289 1 289 20 parsed_1xs8 1
59 "A 14 Psi 148.94" 294 1 294 20 parsed_1xs8 1
60 "E 25 Psi -38.92" 299 1 299 20 parsed_1xs8 1
61 "L 26 Psi -42.44" 304 1 304 20 parsed_1xs8 1
62 "G 27 Psi -36.52" 309 1 309 20 parsed_1xs8 1
63 "K 28 Psi -40.94" 314 1 314 20 parsed_1xs8 1
64 "R 29 Psi -33.07" 319 1 319 20 parsed_1xs8 1
65 "I 30 Psi -41.60" 324 1 324 20 parsed_1xs8 1
66 "Y 31 Psi -39.35" 329 1 329 20 parsed_1xs8 1
67 "N 32 Psi -29.88" 334 1 334 20 parsed_1xs8 1
68 "K 36 Psi -40.38" 339 1 339 20 parsed_1xs8 1
69 "D 37 Psi -41.65" 344 1 344 20 parsed_1xs8 1
70 "A 38 Psi -42.90" 349 1 349 20 parsed_1xs8 1
71 "W 39 Psi -41.57" 354 1 354 20 parsed_1xs8 1
72 "A 40 Psi -39.35" 359 1 359 20 parsed_1xs8 1
73 "Q 41 Psi -39.47" 364 1 364 20 parsed_1xs8 1
74 "W 42 Psi -41.88" 369 1 369 20 parsed_1xs8 1
75 "Q 43 Psi -45.96" 374 1 374 20 parsed_1xs8 1
76 "H 44 Psi -36.45" 379 1 379 20 parsed_1xs8 1
77 "K 45 Psi -39.81" 384 1 384 20 parsed_1xs8 1
78 "Q 46 Psi -40.24" 389 1 389 20 parsed_1xs8 1
79 "T 47 Psi -37.09" 394 1 394 20 parsed_1xs8 1
80 "M 48 Psi -38.91" 399 1 399 20 parsed_1xs8 1
81 "L 49 Psi -43.80" 404 1 404 20 parsed_1xs8 1
82 "I 50 Psi -40.63" 409 1 409 20 parsed_1xs8 1
83 "N 51 Psi -38.68" 414 1 414 20 parsed_1xs8 1
84 "K 53 Psi 2.07" 419 1 419 20 parsed_1xs8 1
85 "N 56 Psi 119.38" 424 1 424 20 parsed_1xs8 1
86 "A 60 Psi -35.45" 429 1 429 20 parsed_1xs8 1
87 "E 61 Psi -44.93" 434 1 434 20 parsed_1xs8 1
88 "H 62 Psi -42.32" 439 1 439 20 parsed_1xs8 1
89 "R 63 Psi -40.17" 444 1 444 20 parsed_1xs8 1
90 "K 64 Psi -42.99" 449 1 449 20 parsed_1xs8 1
91 "L 65 Psi -38.82" 454 1 454 20 parsed_1xs8 1
92 "L 66 Psi -39.50" 459 1 459 20 parsed_1xs8 1
93 "E 67 Psi -43.03" 464 1 464 20 parsed_1xs8 1
94 "Q 68 Psi -37.42" 469 1 469 20 parsed_1xs8 1
95 "E 69 Psi -37.29" 474 1 474 20 parsed_1xs8 1
96 "M 70 Psi -43.39" 479 1 479 20 parsed_1xs8 1
97 "V 71 Psi -38.45" 484 1 484 20 parsed_1xs8 1
98 "S 72 Psi -40.61" 489 1 489 20 parsed_1xs8 1
99 "F 73 Psi -33.59" 494 1 494 20 parsed_1xs8 1
100 "L 74 Psi -24.34" 499 1 499 20 parsed_1xs8 1
101 "F 75 Psi -12.56" 504 1 504 20 parsed_1xs8 1
102 "K 78 Psi 148.78" 509 1 509 20 parsed_1xs8 1
103 "V 80 Psi 115.48" 514 1 514 20 parsed_1xs8 1
104 "H 81 Psi 129.50" 519 1 519 20 parsed_1xs8 1
105 "I 82 Psi 118.34" 524 1 524 20 parsed_1xs8 1
106 "T 86 Psi 125.67" 529 1 529 20 parsed_1xs8 1
stop_
save_
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