NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
557429 |
2lyr   |
17897 | cing | 2-parsed | STAR | dihedral angle | 96 |
data_2lyr_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2lyr
_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_2lyr 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2lyr
_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 2lyr "Master copy" parsed_2lyr
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2lyr
_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 2lyr.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2lyr 1
1 2lyr.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 96 parsed_2lyr 1
1 2lyr.mr . . XPLOR/CNS 3 distance NOE simple 0 parsed_2lyr 1
1 2lyr.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2lyr 1
stop_
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2lyr
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.32 -39.32 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_2lyr 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.64 -39.64 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_2lyr 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.65 -41.65 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_2lyr 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.73 -45.73 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_2lyr 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.60 -41.60 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_2lyr 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.68 -42.68 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_2lyr 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.63 -43.63 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_2lyr 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -111.96 -71.96 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_2lyr 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 26.29 86.29 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_2lyr 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.96 -86.96 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_2lyr 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.71 -51.71 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_2lyr 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.01 -35.01 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_2lyr 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.58 -42.58 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_2lyr 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.70 -45.70 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_2lyr 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.22 -39.22 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_2lyr 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.66 -41.66 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_2lyr 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.35 -41.35 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_2lyr 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.72 -42.72 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_2lyr 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -118.14 -78.14 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_2lyr 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 42.30 82.30 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_2lyr 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -142.74 -102.74 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_2lyr 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.67 -41.67 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_2lyr 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.29 -43.29 . . 27 . C . 28 . N . 28 . CA . 28 . C parsed_2lyr 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.74 -37.74 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_2lyr 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.90 -44.90 . . 29 . C . 30 . N . 30 . CA . 30 . C parsed_2lyr 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.56 -43.56 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_2lyr 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.45 -43.45 . . 31 . C . 32 . N . 32 . CA . 32 . C parsed_2lyr 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.58 -40.58 . . 32 . C . 33 . N . 33 . CA . 33 . C parsed_2lyr 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.42 -42.42 . . 33 . C . 34 . N . 34 . CA . 34 . C parsed_2lyr 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.48 -44.48 . . 34 . C . 35 . N . 35 . CA . 35 . C parsed_2lyr 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -114.18 -74.18 . . 35 . C . 36 . N . 36 . CA . 36 . C parsed_2lyr 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.29 -41.29 . . 36 . C . 37 . N . 37 . CA . 37 . C parsed_2lyr 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.07 -42.07 . . 37 . C . 38 . N . 38 . CA . 38 . C parsed_2lyr 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -113.47 -53.47 . . 38 . C . 39 . N . 39 . CA . 39 . C parsed_2lyr 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -111.92 -31.92 . . 39 . C . 40 . N . 40 . CA . 40 . C parsed_2lyr 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.24 -42.24 . . 41 . C . 42 . N . 42 . CA . 42 . C parsed_2lyr 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.48 -38.48 . . 42 . C . 43 . N . 43 . CA . 43 . C parsed_2lyr 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.60 -43.60 . . 43 . C . 44 . N . 44 . CA . 44 . C parsed_2lyr 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.62 -45.62 . . 44 . C . 45 . N . 45 . CA . 45 . C parsed_2lyr 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.97 -41.97 . . 45 . C . 46 . N . 46 . CA . 46 . C parsed_2lyr 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.96 -48.96 . . 46 . C . 47 . N . 47 . CA . 47 . C parsed_2lyr 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.57 -43.57 . . 47 . C . 48 . N . 48 . CA . 48 . C parsed_2lyr 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.09 -43.09 . . 48 . C . 49 . N . 49 . CA . 49 . C parsed_2lyr 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.97 -41.97 . . 49 . C . 50 . N . 50 . CA . 50 . C parsed_2lyr 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.06 -105.06 . . 54 . C . 55 . N . 55 . CA . 55 . C parsed_2lyr 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.67 -43.67 . . 57 . C . 58 . N . 58 . CA . 58 . C parsed_2lyr 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.04 -48.04 . . 58 . C . 59 . N . 59 . CA . 59 . C parsed_2lyr 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.79 -41.79 . . 59 . C . 60 . N . 60 . CA . 60 . C parsed_2lyr 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.13 -19.13 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_2lyr 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.43 -21.43 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_2lyr 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.14 -22.14 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_2lyr 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.74 -18.74 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_2lyr 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.74 -22.74 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_2lyr 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.81 -16.81 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_2lyr 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.20 -12.20 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_2lyr 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -13.17 32.83 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_2lyr 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.33 74.33 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_2lyr 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99.61 163.61 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_2lyr 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.32 184.32 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_2lyr 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.03 -22.03 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_2lyr 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.49 -17.49 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_2lyr 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.89 -16.89 . . 19 . N . 19 . CA . 19 . C . 20 . N parsed_2lyr 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.09 -19.09 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_2lyr 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.53 -19.53 . . 21 . N . 21 . CA . 21 . C . 22 . N parsed_2lyr 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.79 -14.79 . . 22 . N . 22 . CA . 22 . C . 23 . N parsed_2lyr 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.72 -15.72 . . 23 . N . 23 . CA . 23 . C . 24 . N parsed_2lyr 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.18 17.82 . . 24 . N . 24 . CA . 24 . C . 25 . N parsed_2lyr 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 24.49 68.49 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_2lyr 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.46 184.46 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_2lyr 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.23 -15.23 . . 27 . N . 27 . CA . 27 . C . 28 . N parsed_2lyr 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.59 -19.59 . . 28 . N . 28 . CA . 28 . C . 29 . N parsed_2lyr 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.32 -18.32 . . 29 . N . 29 . CA . 29 . C . 30 . N parsed_2lyr 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.61 -21.61 . . 30 . N . 30 . CA . 30 . C . 31 . N parsed_2lyr 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.05 -20.05 . . 31 . N . 31 . CA . 31 . C . 32 . N parsed_2lyr 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.60 -20.60 . . 32 . N . 32 . CA . 32 . C . 33 . N parsed_2lyr 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.18 -22.18 . . 33 . N . 33 . CA . 33 . C . 34 . N parsed_2lyr 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.83 -21.83 . . 34 . N . 34 . CA . 34 . C . 35 . N parsed_2lyr 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.60 -15.60 . . 35 . N . 35 . CA . 35 . C . 36 . N parsed_2lyr 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.89 -12.89 . . 36 . N . 36 . CA . 36 . C . 37 . N parsed_2lyr 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.90 -9.90 . . 37 . N . 37 . CA . 37 . C . 38 . N parsed_2lyr 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.49 -1.49 . . 38 . N . 38 . CA . 38 . C . 39 . N parsed_2lyr 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.31 186.31 . . 39 . N . 39 . CA . 39 . C . 40 . N parsed_2lyr 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 88.87 172.87 . . 40 . N . 40 . CA . 40 . C . 41 . N parsed_2lyr 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 126.89 190.89 . . 42 . N . 42 . CA . 42 . C . 43 . N parsed_2lyr 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.68 -14.68 . . 43 . N . 43 . CA . 43 . C . 44 . N parsed_2lyr 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.68 -20.68 . . 44 . N . 44 . CA . 44 . C . 45 . N parsed_2lyr 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.64 -11.64 . . 45 . N . 45 . CA . 45 . C . 46 . N parsed_2lyr 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.97 -18.97 . . 46 . N . 46 . CA . 46 . C . 47 . N parsed_2lyr 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.29 -18.29 . . 47 . N . 47 . CA . 47 . C . 48 . N parsed_2lyr 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.19 -17.19 . . 48 . N . 48 . CA . 48 . C . 49 . N parsed_2lyr 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.79 -23.79 . . 49 . N . 49 . CA . 49 . C . 50 . N parsed_2lyr 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.69 -18.69 . . 50 . N . 50 . CA . 50 . C . 51 . N parsed_2lyr 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.44 179.44 . . 55 . N . 55 . CA . 55 . C . 56 . N parsed_2lyr 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.56 -17.56 . . 58 . N . 58 . CA . 58 . C . 59 . N parsed_2lyr 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.86 -18.86 . . 59 . N . 59 . CA . 59 . C . 60 . N parsed_2lyr 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.48 -22.48 . . 60 . N . 60 . CA . 60 . C . 61 . N parsed_2lyr 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
;
I2
assign
(resid 1 and name C )
(resid 2 and name N )
(resid 2 and name CA )
(resid 2 and name C ) 1 -118.92 40.00 2
I3
assign
(resid 2 and name C )
(resid 3 and name N )
(resid 3 and name CA )
(resid 3 and name C ) 1 -111.81 40.00 2
N4
assign
(resid 3 and name C )
(resid 4 and name N )
(resid 4 and name CA )
(resid 4 and name C ) 1 -125.78 20.00 2
N5
assign
(resid 4 and name C )
(resid 5 and name N )
(resid 5 and name CA )
(resid 5 and name C ) 1 -74.83 20.00 2
L6
;
1 1 29 6 parsed_2lyr 1
2 K7 36 1 36 6 parsed_2lyr 1
3 L8 43 1 43 6 parsed_2lyr 1
4 I9 50 1 50 6 parsed_2lyr 1
5 R10 57 1 57 7 parsed_2lyr 1
6 E11 64 1 64 7 parsed_2lyr 1
7 K12 71 1 71 7 parsed_2lyr 1
8 K13 78 1 78 7 parsed_2lyr 1
9 K14 85 1 85 7 parsed_2lyr 1
10 I15 92 1 92 7 parsed_2lyr 1
11 S16 99 1 99 7 parsed_2lyr 1
12 Q17 106 1 106 7 parsed_2lyr 1
13 S18 113 1 113 7 parsed_2lyr 1
14 E19 120 1 120 7 parsed_2lyr 1
15 L20 127 1 127 7 parsed_2lyr 1
16 A21 134 1 134 7 parsed_2lyr 1
17 A22 141 1 141 7 parsed_2lyr 1
18 L23 148 1 148 7 parsed_2lyr 1
19 L24 155 1 155 7 parsed_2lyr 1
20 E25 162 1 162 7 parsed_2lyr 1
21 V26 169 1 169 7 parsed_2lyr 1
22 S27 176 1 176 7 parsed_2lyr 1
23 R28 183 1 183 7 parsed_2lyr 1
24 Q29 190 1 190 7 parsed_2lyr 1
25 T30 197 1 197 7 parsed_2lyr 1
26 I31 204 1 204 7 parsed_2lyr 1
27 N32 211 1 211 7 parsed_2lyr 1
28 G33 218 1 218 7 parsed_2lyr 1
29 I34 225 1 225 7 parsed_2lyr 1
30 E35 232 1 232 7 parsed_2lyr 1
31 K36 239 1 239 7 parsed_2lyr 1
32 N37 246 1 246 7 parsed_2lyr 1
33 K38 253 1 253 7 parsed_2lyr 1
34 Y39 260 1 260 7 parsed_2lyr 1
35 N40 267 1 267 7 parsed_2lyr 1
36
;
P41
assign
(resid 40 and name C )
(resid 41 and name N )
(resid 41 and name CA )
(resid 41 and name C ) 1 -55.73 30.00 2
S42
;
274 1 281 7 parsed_2lyr 1
37 L43 288 1 288 7 parsed_2lyr 1
38 Q44 295 1 295 7 parsed_2lyr 1
39 L45 302 1 302 7 parsed_2lyr 1
40 A46 309 1 309 7 parsed_2lyr 1
41 L47 316 1 316 7 parsed_2lyr 1
42 K48 323 1 323 7 parsed_2lyr 1
43 I49 330 1 330 7 parsed_2lyr 1
44 A50 337 1 337 7 parsed_2lyr 1
45
;
Y51
assign
(resid 50 and name C )
(resid 51 and name N )
(resid 51 and name CA )
(resid 51 and name C ) 1 -64.46 20.00 2
Y52
assign
(resid 51 and name C )
(resid 52 and name N )
(resid 52 and name CA )
(resid 52 and name C ) 1 -61.51 20.00 2
L53
assign
(resid 52 and name C )
(resid 53 and name N )
(resid 53 and name CA )
(resid 53 and name C ) 1 -72.45 20.00 2
N54
assign
(resid 53 and name C )
(resid 54 and name N )
(resid 54 and name CA )
(resid 54 and name C ) 1 -66.48 30.00 2
T55
;
344 1 372 7 parsed_2lyr 1
46
;
P56
assign
(resid 55 and name C )
(resid 56 and name N )
(resid 56 and name CA )
(resid 56 and name C ) 1 -61.82 30.00 2
L57
assign
(resid 56 and name C )
(resid 57 and name N )
(resid 57 and name CA )
(resid 57 and name C ) 1 -61.15 20.00 2
E58
;
379 1 393 7 parsed_2lyr 1
47 D59 400 1 400 7 parsed_2lyr 1
48 I60 407 1 407 7 parsed_2lyr 1
49
;
F61
assign
(resid 60 and name C )
(resid 61 and name N )
(resid 61 and name CA )
(resid 61 and name C ) 1 -69.50 20.00 2
W63
assign
(resid 62 and name C )
(resid 63 and name N )
(resid 63 and name CA )
(resid 63 and name C ) 1 -93.76 20.00 2
Q64
assign
(resid 63 and name C )
(resid 64 and name N )
(resid 64 and name CA )
(resid 64 and name C ) 1 -126.11 30.00 2
P65
assign
(resid 64 and name C )
(resid 65 and name N )
(resid 65 and name CA )
(resid 65 and name C ) 1 -54.90 40.00 2
! { Dihedral Angle Restraints }
!psi N(i)-CA(i)-C(i)-N(i+1)
I2
assign
(resid 2 and name N )
(resid 2 and name CA )
(resid 2 and name C )
(resid 3 and name N ) 1 124.41 42.00 2
I3
assign
(resid 3 and name N )
(resid 3 and name CA )
(resid 3 and name C )
(resid 4 and name N ) 1 127.95 42.00 2
N4
assign
(resid 4 and name N )
(resid 4 and name CA )
(resid 4 and name C )
(resid 5 and name N ) 1 119.77 22.00 2
N5
assign
(resid 5 and name N )
(resid 5 and name CA )
(resid 5 and name C )
(resid 6 and name N ) 1 161.69 22.00 2
L6
;
414 1 474 6 parsed_2lyr 1
50 K7 481 1 481 6 parsed_2lyr 1
51 L8 488 1 488 6 parsed_2lyr 1
52 I9 495 1 495 6 parsed_2lyr 1
53 R10 502 1 502 7 parsed_2lyr 1
54 E11 509 1 509 7 parsed_2lyr 1
55 K12 516 1 516 7 parsed_2lyr 1
56 K13 523 1 523 7 parsed_2lyr 1
57 K14 530 1 530 7 parsed_2lyr 1
58 I15 537 1 537 7 parsed_2lyr 1
59 S16 544 1 544 7 parsed_2lyr 1
60 Q17 551 1 551 7 parsed_2lyr 1
61 S18 558 1 558 7 parsed_2lyr 1
62 E19 565 1 565 7 parsed_2lyr 1
63 L20 572 1 572 7 parsed_2lyr 1
64 A21 579 1 579 7 parsed_2lyr 1
65 A22 586 1 586 7 parsed_2lyr 1
66 L23 593 1 593 7 parsed_2lyr 1
67 L24 600 1 600 7 parsed_2lyr 1
68 E25 607 1 607 7 parsed_2lyr 1
69 V26 614 1 614 7 parsed_2lyr 1
70 S27 621 1 621 7 parsed_2lyr 1
71 R28 628 1 628 7 parsed_2lyr 1
72 Q29 635 1 635 7 parsed_2lyr 1
73 T30 642 1 642 7 parsed_2lyr 1
74 I31 649 1 649 7 parsed_2lyr 1
75 N32 656 1 656 7 parsed_2lyr 1
76 G33 663 1 663 7 parsed_2lyr 1
77 I34 670 1 670 7 parsed_2lyr 1
78 E35 677 1 677 7 parsed_2lyr 1
79 K36 684 1 684 7 parsed_2lyr 1
80 N37 691 1 691 7 parsed_2lyr 1
81 K38 698 1 698 7 parsed_2lyr 1
82 Y39 705 1 705 7 parsed_2lyr 1
83 N40 712 1 712 7 parsed_2lyr 1
84
;
P41
assign
(resid 41 and name N )
(resid 41 and name CA )
(resid 41 and name C )
(resid 42 and name N ) 1 130.90 32.00 2
S42
;
719 1 726 7 parsed_2lyr 1
85 L43 733 1 733 7 parsed_2lyr 1
86 Q44 740 1 740 7 parsed_2lyr 1
87 L45 747 1 747 7 parsed_2lyr 1
88 A46 754 1 754 7 parsed_2lyr 1
89 L47 761 1 761 7 parsed_2lyr 1
90 K48 768 1 768 7 parsed_2lyr 1
91 I49 775 1 775 7 parsed_2lyr 1
92 A50 782 1 782 7 parsed_2lyr 1
93
;
Y51
assign
(resid 51 and name N )
(resid 51 and name CA )
(resid 51 and name C )
(resid 52 and name N ) 1 -44.29 23.00 2
Y52
assign
(resid 52 and name N )
(resid 52 and name CA )
(resid 52 and name C )
(resid 53 and name N ) 1 -42.82 23.00 2
L53
assign
(resid 53 and name N )
(resid 53 and name CA )
(resid 53 and name C )
(resid 54 and name N ) 1 -32.39 23.00 2
N54
assign
(resid 54 and name N )
(resid 54 and name CA )
(resid 54 and name C )
(resid 55 and name N ) 1 45.11 32.00 2
T55
;
789 1 817 7 parsed_2lyr 1
94
;
P56
assign
(resid 56 and name N )
(resid 56 and name CA )
(resid 56 and name C )
(resid 57 and name N ) 1 143.12 32.00 2
L57
assign
(resid 57 and name N )
(resid 57 and name CA )
(resid 57 and name C )
(resid 58 and name N ) 1 -42.73 23.00 2
E58
;
824 1 838 7 parsed_2lyr 1
95 D59 845 1 845 7 parsed_2lyr 1
96 I60 852 1 852 7 parsed_2lyr 1
97
;
F61
assign
(resid 61 and name N )
(resid 61 and name CA )
(resid 61 and name C )
(resid 62 and name N ) 1 -31.64 23.00 2
W63
assign
(resid 63 and name N )
(resid 63 and name CA )
(resid 63 and name C )
(resid 64 and name N ) 1 134.80 22.00 2
Q64
assign
(resid 64 and name N )
(resid 64 and name CA )
(resid 64 and name C )
(resid 65 and name N ) 1 129.67 32.00 2
P65
assign
(resid 65 and name N )
(resid 65 and name CA )
(resid 65 and name C )
(resid 66 and name N ) 1 131.99 42.00 2
;
859 1 885 64 parsed_2lyr 1
stop_
save_
Contact the webmaster for help, if required. Monday, May 20, 2024 9:06:16 AM GMT (wattos1)