NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
557405 |
2lyl   |
17894 | cing | 2-parsed | STAR | dihedral angle | 192 |
data_2lyl_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2lyl
_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_2lyl 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2lyl
_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 2lyl "Master copy" parsed_2lyl
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2lyl
_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 2lyl.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2lyl 1
1 2lyl.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 192 parsed_2lyl 1
1 2lyl.mr . . XPLOR/CNS 3 distance NOE simple 0 parsed_2lyl 1
1 2lyl.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2lyl 1
stop_
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2lyl
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -113.66 -33.66 . A 1 . C A 2 . N A 2 . CA A 2 . C parsed_2lyl 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.61 -50.61 . A 5 . C A 6 . N A 6 . CA A 6 . C parsed_2lyl 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.99 -48.99 . A 6 . C A 7 . N A 7 . CA A 7 . C parsed_2lyl 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.44 -50.44 . A 7 . C A 8 . N A 8 . CA A 8 . C parsed_2lyl 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.23 -55.23 . A 8 . C A 9 . N A 9 . CA A 9 . C parsed_2lyl 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.19 -50.19 . A 9 . C A 10 . N A 10 . CA A 10 . C parsed_2lyl 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.36 -55.36 . A 10 . C A 11 . N A 11 . CA A 11 . C parsed_2lyl 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.74 -52.74 . A 11 . C A 12 . N A 12 . CA A 12 . C parsed_2lyl 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -107.83 -67.83 . A 12 . C A 13 . N A 13 . CA A 13 . C parsed_2lyl 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 27.08 87.08 . A 13 . C A 14 . N A 14 . CA A 14 . C parsed_2lyl 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -132.59 -72.59 . A 14 . C A 15 . N A 15 . CA A 15 . C parsed_2lyl 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.39 -56.39 . A 15 . C A 16 . N A 16 . CA A 16 . C parsed_2lyl 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.75 -44.75 . A 16 . C A 17 . N A 17 . CA A 17 . C parsed_2lyl 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.26 -56.26 . A 17 . C A 18 . N A 18 . CA A 18 . C parsed_2lyl 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.02 -55.02 . A 18 . C A 19 . N A 19 . CA A 19 . C parsed_2lyl 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.47 -52.47 . A 19 . C A 20 . N A 20 . CA A 20 . C parsed_2lyl 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.49 -51.49 . A 20 . C A 21 . N A 21 . CA A 21 . C parsed_2lyl 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.37 -51.37 . A 21 . C A 22 . N A 22 . CA A 22 . C parsed_2lyl 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.02 -51.02 . A 22 . C A 23 . N A 23 . CA A 23 . C parsed_2lyl 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.11 -85.11 . A 23 . C A 24 . N A 24 . CA A 24 . C parsed_2lyl 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.07 80.07 . A 24 . C A 25 . N A 25 . CA A 25 . C parsed_2lyl 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.89 -100.89 . A 25 . C A 26 . N A 26 . CA A 26 . C parsed_2lyl 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.52 -50.52 . A 26 . C A 27 . N A 27 . CA A 27 . C parsed_2lyl 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.04 -52.04 . A 27 . C A 28 . N A 28 . CA A 28 . C parsed_2lyl 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.17 -54.17 . A 28 . C A 29 . N A 29 . CA A 29 . C parsed_2lyl 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.17 -58.17 . A 29 . C A 30 . N A 30 . CA A 30 . C parsed_2lyl 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.89 -56.89 . A 30 . C A 31 . N A 31 . CA A 31 . C parsed_2lyl 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.03 -52.03 . A 31 . C A 32 . N A 32 . CA A 32 . C parsed_2lyl 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.45 -51.45 . A 32 . C A 33 . N A 33 . CA A 33 . C parsed_2lyl 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.32 -52.32 . A 33 . C A 34 . N A 34 . CA A 34 . C parsed_2lyl 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.58 -49.58 . A 34 . C A 35 . N A 35 . CA A 35 . C parsed_2lyl 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.17 -35.17 . A 39 . C A 40 . N A 40 . CA A 40 . C parsed_2lyl 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101.10 -41.10 . A 41 . C A 42 . N A 42 . CA A 42 . C parsed_2lyl 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.31 -51.31 . A 42 . C A 43 . N A 43 . CA A 43 . C parsed_2lyl 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.87 -51.87 . A 43 . C A 44 . N A 44 . CA A 44 . C parsed_2lyl 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.18 -57.18 . A 44 . C A 45 . N A 45 . CA A 45 . C parsed_2lyl 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.02 -52.02 . A 45 . C A 46 . N A 46 . CA A 46 . C parsed_2lyl 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.56 -56.56 . A 46 . C A 47 . N A 47 . CA A 47 . C parsed_2lyl 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.17 -53.17 . A 47 . C A 48 . N A 48 . CA A 48 . C parsed_2lyl 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.62 -52.62 . A 48 . C A 49 . N A 49 . CA A 49 . C parsed_2lyl 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.37 -49.37 . A 49 . C A 50 . N A 50 . CA A 50 . C parsed_2lyl 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.43 -54.43 . A 50 . C A 51 . N A 51 . CA A 51 . C parsed_2lyl 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.09 -52.09 . A 51 . C A 52 . N A 52 . CA A 52 . C parsed_2lyl 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.94 -61.94 . A 52 . C A 53 . N A 53 . CA A 53 . C parsed_2lyl 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.24 -105.24 . A 54 . C A 55 . N A 55 . CA A 55 . C parsed_2lyl 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.75 -48.75 . A 56 . C A 57 . N A 57 . CA A 57 . C parsed_2lyl 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.33 -56.33 . A 57 . C A 58 . N A 58 . CA A 58 . C parsed_2lyl 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.56 -58.56 . A 58 . C A 59 . N A 59 . CA A 59 . C parsed_2lyl 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.67 -29.67 . A 6 . N A 6 . CA A 6 . C A 7 . N parsed_2lyl 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.24 -34.24 . A 7 . N A 7 . CA A 7 . C A 8 . N parsed_2lyl 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.04 -31.04 . A 8 . N A 8 . CA A 8 . C A 9 . N parsed_2lyl 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.71 -32.71 . A 9 . N A 9 . CA A 9 . C A 10 . N parsed_2lyl 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.89 -33.89 . A 10 . N A 10 . CA A 10 . C A 11 . N parsed_2lyl 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.02 -26.02 . A 11 . N A 11 . CA A 11 . C A 12 . N parsed_2lyl 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.53 -25.53 . A 12 . N A 12 . CA A 12 . C A 13 . N parsed_2lyl 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -15.63 26.37 . A 13 . N A 13 . CA A 13 . C A 14 . N parsed_2lyl 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 9.18 73.18 . A 14 . N A 14 . CA A 14 . C A 15 . N parsed_2lyl 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 98.82 162.82 . A 15 . N A 15 . CA A 15 . C A 16 . N parsed_2lyl 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 142.40 186.40 . A 16 . N A 16 . CA A 16 . C A 17 . N parsed_2lyl 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.79 -32.79 . A 17 . N A 17 . CA A 17 . C A 18 . N parsed_2lyl 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.10 -29.10 . A 18 . N A 18 . CA A 18 . C A 19 . N parsed_2lyl 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.31 -31.31 . A 19 . N A 19 . CA A 19 . C A 20 . N parsed_2lyl 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.20 -32.20 . A 20 . N A 20 . CA A 20 . C A 21 . N parsed_2lyl 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.71 -31.71 . A 21 . N A 21 . CA A 21 . C A 22 . N parsed_2lyl 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.36 -30.36 . A 22 . N A 22 . CA A 22 . C A 23 . N parsed_2lyl 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.00 -28.00 . A 23 . N A 23 . CA A 23 . C A 24 . N parsed_2lyl 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -11.93 10.07 . A 24 . N A 24 . CA A 24 . C A 25 . N parsed_2lyl 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.00 184.00 . A 26 . N A 26 . CA A 26 . C A 27 . N parsed_2lyl 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.19 -29.19 . A 28 . N A 28 . CA A 28 . C A 29 . N parsed_2lyl 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.58 -28.58 . A 29 . N A 29 . CA A 29 . C A 30 . N parsed_2lyl 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.51 -32.51 . A 30 . N A 30 . CA A 30 . C A 31 . N parsed_2lyl 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.95 -30.95 . A 31 . N A 31 . CA A 31 . C A 32 . N parsed_2lyl 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.80 -32.80 . A 32 . N A 32 . CA A 32 . C A 33 . N parsed_2lyl 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.46 -33.46 . A 33 . N A 33 . CA A 33 . C A 34 . N parsed_2lyl 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.83 -34.83 . A 34 . N A 34 . CA A 34 . C A 35 . N parsed_2lyl 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.05 -29.05 . A 35 . N A 35 . CA A 35 . C A 36 . N parsed_2lyl 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.61 186.61 . A 39 . N A 39 . CA A 39 . C A 40 . N parsed_2lyl 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 97.49 161.49 . A 40 . N A 40 . CA A 40 . C A 41 . N parsed_2lyl 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.85 189.85 . A 42 . N A 42 . CA A 42 . C A 43 . N parsed_2lyl 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.97 -28.97 . A 43 . N A 43 . CA A 43 . C A 44 . N parsed_2lyl 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.80 -31.80 . A 44 . N A 44 . CA A 44 . C A 45 . N parsed_2lyl 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.01 -26.01 . A 45 . N A 45 . CA A 45 . C A 46 . N parsed_2lyl 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.01 -32.01 . A 46 . N A 46 . CA A 46 . C A 47 . N parsed_2lyl 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.83 -28.83 . A 47 . N A 47 . CA A 47 . C A 48 . N parsed_2lyl 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.82 -29.82 . A 48 . N A 48 . CA A 48 . C A 49 . N parsed_2lyl 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.74 -33.74 . A 49 . N A 49 . CA A 49 . C A 50 . N parsed_2lyl 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.94 -30.94 . A 50 . N A 50 . CA A 50 . C A 51 . N parsed_2lyl 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.65 -34.65 . A 51 . N A 51 . CA A 51 . C A 52 . N parsed_2lyl 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.92 -31.92 . A 52 . N A 52 . CA A 52 . C A 53 . N parsed_2lyl 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.66 -20.66 . A 53 . N A 53 . CA A 53 . C A 54 . N parsed_2lyl 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 13.19 77.19 . A 54 . N A 54 . CA A 54 . C A 55 . N parsed_2lyl 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.80 178.80 . A 55 . N A 55 . CA A 55 . C A 56 . N parsed_2lyl 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.59 -31.59 . A 57 . N A 57 . CA A 57 . C A 58 . N parsed_2lyl 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -43.20 -21.20 . A 58 . N A 58 . CA A 58 . C A 59 . N parsed_2lyl 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.53 -28.53 . A 59 . N A 59 . CA A 59 . C A 60 . N parsed_2lyl 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.00 -33.00 . A 60 . N A 60 . CA A 60 . C A 61 . N parsed_2lyl 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -113.66 -33.66 . B 1 . C B 2 . N B 2 . CA B 2 . C parsed_2lyl 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.61 -50.61 . B 5 . C B 6 . N B 6 . CA B 6 . C parsed_2lyl 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.99 -48.99 . B 6 . C B 7 . N B 7 . CA B 7 . C parsed_2lyl 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.44 -50.44 . B 7 . C B 8 . N B 8 . CA B 8 . C parsed_2lyl 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.23 -55.23 . B 8 . C B 9 . N B 9 . CA B 9 . C parsed_2lyl 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.19 -50.19 . B 9 . C B 10 . N B 10 . CA B 10 . C parsed_2lyl 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.36 -55.36 . B 10 . C B 11 . N B 11 . CA B 11 . C parsed_2lyl 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.74 -52.74 . B 11 . C B 12 . N B 12 . CA B 12 . C parsed_2lyl 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -107.83 -67.83 . B 12 . C B 13 . N B 13 . CA B 13 . C parsed_2lyl 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 27.08 87.08 . B 13 . C B 14 . N B 14 . CA B 14 . C parsed_2lyl 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -132.59 -72.59 . B 14 . C B 15 . N B 15 . CA B 15 . C parsed_2lyl 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.39 -56.39 . B 15 . C B 16 . N B 16 . CA B 16 . C parsed_2lyl 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.75 -44.75 . B 16 . C B 17 . N B 17 . CA B 17 . C parsed_2lyl 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.26 -56.26 . B 17 . C B 18 . N B 18 . CA B 18 . C parsed_2lyl 1
111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.02 -55.02 . B 18 . C B 19 . N B 19 . CA B 19 . C parsed_2lyl 1
112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.47 -52.47 . B 19 . C B 20 . N B 20 . CA B 20 . C parsed_2lyl 1
113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.49 -51.49 . B 20 . C B 21 . N B 21 . CA B 21 . C parsed_2lyl 1
114 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.37 -51.37 . B 21 . C B 22 . N B 22 . CA B 22 . C parsed_2lyl 1
115 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.02 -51.02 . B 22 . C B 23 . N B 23 . CA B 23 . C parsed_2lyl 1
116 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.11 -85.11 . B 23 . C B 24 . N B 24 . CA B 24 . C parsed_2lyl 1
117 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.07 80.07 . B 24 . C B 25 . N B 25 . CA B 25 . C parsed_2lyl 1
118 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.89 -100.89 . B 25 . C B 26 . N B 26 . CA B 26 . C parsed_2lyl 1
119 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.52 -50.52 . B 26 . C B 27 . N B 27 . CA B 27 . C parsed_2lyl 1
120 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.04 -52.04 . B 27 . C B 28 . N B 28 . CA B 28 . C parsed_2lyl 1
121 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.17 -54.17 . B 28 . C B 29 . N B 29 . CA B 29 . C parsed_2lyl 1
122 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.17 -58.17 . B 29 . C B 30 . N B 30 . CA B 30 . C parsed_2lyl 1
123 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.89 -56.89 . B 30 . C B 31 . N B 31 . CA B 31 . C parsed_2lyl 1
124 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.03 -52.03 . B 31 . C B 32 . N B 32 . CA B 32 . C parsed_2lyl 1
125 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.45 -51.45 . B 32 . C B 33 . N B 33 . CA B 33 . C parsed_2lyl 1
126 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.32 -52.32 . B 33 . C B 34 . N B 34 . CA B 34 . C parsed_2lyl 1
127 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.58 -49.58 . B 34 . C B 35 . N B 35 . CA B 35 . C parsed_2lyl 1
128 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.17 -35.17 . B 39 . C B 40 . N B 40 . CA B 40 . C parsed_2lyl 1
129 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101.10 -41.10 . B 41 . C B 42 . N B 42 . CA B 42 . C parsed_2lyl 1
130 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.31 -51.31 . B 42 . C B 43 . N B 43 . CA B 43 . C parsed_2lyl 1
131 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.87 -51.87 . B 43 . C B 44 . N B 44 . CA B 44 . C parsed_2lyl 1
132 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.18 -57.18 . B 44 . C B 45 . N B 45 . CA B 45 . C parsed_2lyl 1
133 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.02 -52.02 . B 45 . C B 46 . N B 46 . CA B 46 . C parsed_2lyl 1
134 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.56 -56.56 . B 46 . C B 47 . N B 47 . CA B 47 . C parsed_2lyl 1
135 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.17 -53.17 . B 47 . C B 48 . N B 48 . CA B 48 . C parsed_2lyl 1
136 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.62 -52.62 . B 48 . C B 49 . N B 49 . CA B 49 . C parsed_2lyl 1
137 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.37 -49.37 . B 49 . C B 50 . N B 50 . CA B 50 . C parsed_2lyl 1
138 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.43 -54.43 . B 50 . C B 51 . N B 51 . CA B 51 . C parsed_2lyl 1
139 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.09 -52.09 . B 51 . C B 52 . N B 52 . CA B 52 . C parsed_2lyl 1
140 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.94 -61.94 . B 52 . C B 53 . N B 53 . CA B 53 . C parsed_2lyl 1
141 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.24 -105.24 . B 54 . C B 55 . N B 55 . CA B 55 . C parsed_2lyl 1
142 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.75 -48.75 . B 56 . C B 57 . N B 57 . CA B 57 . C parsed_2lyl 1
143 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.33 -56.33 . B 57 . C B 58 . N B 58 . CA B 58 . C parsed_2lyl 1
144 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.56 -58.56 . B 58 . C B 59 . N B 59 . CA B 59 . C parsed_2lyl 1
145 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.67 -29.67 . B 6 . N B 6 . CA B 6 . C B 7 . N parsed_2lyl 1
146 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.24 -34.24 . B 7 . N B 7 . CA B 7 . C B 8 . N parsed_2lyl 1
147 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.04 -31.04 . B 8 . N B 8 . CA B 8 . C B 9 . N parsed_2lyl 1
148 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.71 -32.71 . B 9 . N B 9 . CA B 9 . C B 10 . N parsed_2lyl 1
149 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.89 -33.89 . B 10 . N B 10 . CA B 10 . C B 11 . N parsed_2lyl 1
150 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.02 -26.02 . B 11 . N B 11 . CA B 11 . C B 12 . N parsed_2lyl 1
151 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.53 -25.53 . B 12 . N B 12 . CA B 12 . C B 13 . N parsed_2lyl 1
152 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -15.63 26.37 . B 13 . N B 13 . CA B 13 . C B 14 . N parsed_2lyl 1
153 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 9.18 73.18 . B 14 . N B 14 . CA B 14 . C B 15 . N parsed_2lyl 1
154 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 98.82 162.82 . B 15 . N B 15 . CA B 15 . C B 16 . N parsed_2lyl 1
155 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 142.40 186.40 . B 16 . N B 16 . CA B 16 . C B 17 . N parsed_2lyl 1
156 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.79 -32.79 . B 17 . N B 17 . CA B 17 . C B 18 . N parsed_2lyl 1
157 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.10 -29.10 . B 18 . N B 18 . CA B 18 . C B 19 . N parsed_2lyl 1
158 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.31 -31.31 . B 19 . N B 19 . CA B 19 . C B 20 . N parsed_2lyl 1
159 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.20 -32.20 . B 20 . N B 20 . CA B 20 . C B 21 . N parsed_2lyl 1
160 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.71 -31.71 . B 21 . N B 21 . CA B 21 . C B 22 . N parsed_2lyl 1
161 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.36 -30.36 . B 22 . N B 22 . CA B 22 . C B 23 . N parsed_2lyl 1
162 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.00 -28.00 . B 23 . N B 23 . CA B 23 . C B 24 . N parsed_2lyl 1
163 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -11.93 10.07 . B 24 . N B 24 . CA B 24 . C B 25 . N parsed_2lyl 1
164 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.00 184.00 . B 26 . N B 26 . CA B 26 . C B 27 . N parsed_2lyl 1
165 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.19 -29.19 . B 28 . N B 28 . CA B 28 . C B 29 . N parsed_2lyl 1
166 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.58 -28.58 . B 29 . N B 29 . CA B 29 . C B 30 . N parsed_2lyl 1
167 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.51 -32.51 . B 30 . N B 30 . CA B 30 . C B 31 . N parsed_2lyl 1
168 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.95 -30.95 . B 31 . N B 31 . CA B 31 . C B 32 . N parsed_2lyl 1
169 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.80 -32.80 . B 32 . N B 32 . CA B 32 . C B 33 . N parsed_2lyl 1
170 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.46 -33.46 . B 33 . N B 33 . CA B 33 . C B 34 . N parsed_2lyl 1
171 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.83 -34.83 . B 34 . N B 34 . CA B 34 . C B 35 . N parsed_2lyl 1
172 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.05 -29.05 . B 35 . N B 35 . CA B 35 . C B 36 . N parsed_2lyl 1
173 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.61 186.61 . B 39 . N B 39 . CA B 39 . C B 40 . N parsed_2lyl 1
174 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 97.49 161.49 . B 40 . N B 40 . CA B 40 . C B 41 . N parsed_2lyl 1
175 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.85 189.85 . B 42 . N B 42 . CA B 42 . C B 43 . N parsed_2lyl 1
176 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.97 -28.97 . B 43 . N B 43 . CA B 43 . C B 44 . N parsed_2lyl 1
177 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.80 -31.80 . B 44 . N B 44 . CA B 44 . C B 45 . N parsed_2lyl 1
178 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.01 -26.01 . B 45 . N B 45 . CA B 45 . C B 46 . N parsed_2lyl 1
179 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.01 -32.01 . B 46 . N B 46 . CA B 46 . C B 47 . N parsed_2lyl 1
180 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.83 -28.83 . B 47 . N B 47 . CA B 47 . C B 48 . N parsed_2lyl 1
181 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.82 -29.82 . B 48 . N B 48 . CA B 48 . C B 49 . N parsed_2lyl 1
182 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.74 -33.74 . B 49 . N B 49 . CA B 49 . C B 50 . N parsed_2lyl 1
183 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.94 -30.94 . B 50 . N B 50 . CA B 50 . C B 51 . N parsed_2lyl 1
184 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.65 -34.65 . B 51 . N B 51 . CA B 51 . C B 52 . N parsed_2lyl 1
185 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.92 -31.92 . B 52 . N B 52 . CA B 52 . C B 53 . N parsed_2lyl 1
186 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.66 -20.66 . B 53 . N B 53 . CA B 53 . C B 54 . N parsed_2lyl 1
187 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 13.19 77.19 . B 54 . N B 54 . CA B 54 . C B 55 . N parsed_2lyl 1
188 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.80 178.80 . B 55 . N B 55 . CA B 55 . C B 56 . N parsed_2lyl 1
189 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.59 -31.59 . B 57 . N B 57 . CA B 57 . C B 58 . N parsed_2lyl 1
190 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -43.20 -21.20 . B 58 . N B 58 . CA B 58 . C B 59 . N parsed_2lyl 1
191 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.53 -28.53 . B 59 . N B 59 . CA B 59 . C B 60 . N parsed_2lyl 1
192 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.00 -33.00 . B 60 . N B 60 . CA B 60 . C B 61 . N parsed_2lyl 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
;
! { Dihedral Angle Restraints }
!phi C(i-1)-N(i)-CA(i)-C(i)
I2
;
1 1 4 6 parsed_2lyl 1
2
;
I3
assign
(resid 2 and name C and segid A )
(resid 3 and name N and segid A )
(resid 3 and name CA and segid A )
(resid 3 and name C and segid A ) 1 -81.16 40.00 2
N4
assign
(resid 3 and name C and segid A )
(resid 4 and name N and segid A )
(resid 4 and name CA and segid A )
(resid 4 and name C and segid A ) 1 -109.43 30.00 2
N5
assign
(resid 4 and name C and segid A )
(resid 5 and name N and segid A )
(resid 5 and name CA and segid A )
(resid 5 and name C and segid A ) 1 -80.63 20.00 2
L6
;
11 1 32 6 parsed_2lyl 1
3 K7 39 1 39 6 parsed_2lyl 1
4 L8 46 1 46 6 parsed_2lyl 1
5 I9 53 1 53 6 parsed_2lyl 1
6 R10 60 1 60 7 parsed_2lyl 1
7 E11 67 1 67 7 parsed_2lyl 1
8 K12 74 1 74 7 parsed_2lyl 1
9 K13 81 1 81 7 parsed_2lyl 1
10 K14 88 1 88 7 parsed_2lyl 1
11 I15 95 1 95 7 parsed_2lyl 1
12 S16 102 1 102 7 parsed_2lyl 1
13 Q17 109 1 109 7 parsed_2lyl 1
14 S18 116 1 116 7 parsed_2lyl 1
15 E19 123 1 123 7 parsed_2lyl 1
16 L20 130 1 130 7 parsed_2lyl 1
17 A21 137 1 137 7 parsed_2lyl 1
18 A22 144 1 144 7 parsed_2lyl 1
19 L23 151 1 151 7 parsed_2lyl 1
20 L24 158 1 158 7 parsed_2lyl 1
21 E25 165 1 165 7 parsed_2lyl 1
22 V26 172 1 172 7 parsed_2lyl 1
23 S27 179 1 179 7 parsed_2lyl 1
24 R28 186 1 186 7 parsed_2lyl 1
25 Q29 193 1 193 7 parsed_2lyl 1
26 T30 200 1 200 7 parsed_2lyl 1
27 I31 207 1 207 7 parsed_2lyl 1
28 N32 214 1 214 7 parsed_2lyl 1
29 G33 221 1 221 7 parsed_2lyl 1
30 I34 228 1 228 7 parsed_2lyl 1
31 E35 235 1 235 7 parsed_2lyl 1
32
;
K36
assign
(resid 35 and name C and segid A )
(resid 36 and name N and segid A )
(resid 36 and name CA and segid A )
(resid 36 and name C and segid A ) 1 -92.76 10.00 2
N37
assign
(resid 36 and name C and segid A )
(resid 37 and name N and segid A )
(resid 37 and name CA and segid A )
(resid 37 and name C and segid A ) 1 -70.37 30.00 2
K38
assign
(resid 37 and name C and segid A )
(resid 38 and name N and segid A )
(resid 38 and name CA and segid A )
(resid 38 and name C and segid A ) 1 -76.27 30.00 2
Y39
assign
(resid 38 and name C and segid A )
(resid 39 and name N and segid A )
(resid 39 and name CA and segid A )
(resid 39 and name C and segid A ) 1 -87.28 30.00 2
N40
;
242 1 270 7 parsed_2lyl 1
33
;
P41
assign
(resid 40 and name C and segid A )
(resid 41 and name N and segid A )
(resid 41 and name CA and segid A )
(resid 41 and name C and segid A ) 1 -57.69 30.00 2
S42
;
277 1 284 7 parsed_2lyl 1
34 L43 291 1 291 7 parsed_2lyl 1
35 Q44 298 1 298 7 parsed_2lyl 1
36 L45 305 1 305 7 parsed_2lyl 1
37 A46 312 1 312 7 parsed_2lyl 1
38 L47 319 1 319 7 parsed_2lyl 1
39 K48 326 1 326 7 parsed_2lyl 1
40 I49 333 1 333 7 parsed_2lyl 1
41 A50 340 1 340 7 parsed_2lyl 1
42 Y51 347 1 347 7 parsed_2lyl 1
43 Y52 354 1 354 7 parsed_2lyl 1
44 L53 361 1 361 7 parsed_2lyl 1
45
;
N54
assign
(resid 53 and name C and segid A )
(resid 54 and name N and segid A )
(resid 54 and name CA and segid A )
(resid 54 and name C and segid A ) 1 -66.91 30.00 2
T55
;
368 1 375 7 parsed_2lyl 1
46
;
P56
assign
(resid 55 and name C and segid A )
(resid 56 and name N and segid A )
(resid 56 and name CA and segid A )
(resid 56 and name C and segid A ) 1 -63.92 30.00 2
L57
;
382 1 389 7 parsed_2lyl 1
47 E58 396 1 396 7 parsed_2lyl 1
48 D59 403 1 403 7 parsed_2lyl 1
49
;
I60
assign
(resid 59 and name C and segid A )
(resid 60 and name N and segid A )
(resid 60 and name CA and segid A )
(resid 60 and name C and segid A ) 1 -63.62 10.00 2
F61
assign
(resid 60 and name C and segid A )
(resid 61 and name N and segid A )
(resid 61 and name CA and segid A )
(resid 61 and name C and segid A ) 1 -69.26 10.00 2
Q62
assign
(resid 61 and name C and segid A )
(resid 62 and name N and segid A )
(resid 62 and name CA and segid A )
(resid 62 and name C and segid A ) 1 -118.02 20.00 2
W63
assign
(resid 62 and name C and segid A )
(resid 63 and name N and segid A )
(resid 63 and name CA and segid A )
(resid 63 and name C and segid A ) 1 -94.54 20.00 2
Q64
assign
(resid 63 and name C and segid A )
(resid 64 and name N and segid A )
(resid 64 and name CA and segid A )
(resid 64 and name C and segid A ) 1 -129.61 20.00 2
P65
assign
(resid 64 and name C and segid A )
(resid 65 and name N and segid A )
(resid 65 and name CA and segid A )
(resid 65 and name C and segid A ) 1 -70.40 30.00 2
! { Dihedral Angle Restraints }
!psi N(i)-CA(i)-C(i)-N(i+1)
I2
assign
(resid 2 and name N and segid A )
(resid 2 and name CA and segid A )
(resid 2 and name C and segid A )
(resid 3 and name N and segid A ) 1 125.15 42.00 2
I3
assign
(resid 3 and name N and segid A )
(resid 3 and name CA and segid A )
(resid 3 and name C and segid A )
(resid 4 and name N and segid A ) 1 135.64 42.00 2
N4
assign
(resid 4 and name N and segid A )
(resid 4 and name CA and segid A )
(resid 4 and name C and segid A )
(resid 5 and name N and segid A ) 1 127.67 32.00 2
N5
assign
(resid 5 and name N and segid A )
(resid 5 and name CA and segid A )
(resid 5 and name C and segid A )
(resid 6 and name N and segid A ) 1 162.15 22.00 2
L6
;
410 1 485 6 parsed_2lyl 1
50 K7 492 1 492 6 parsed_2lyl 1
51 L8 499 1 499 6 parsed_2lyl 1
52 I9 506 1 506 6 parsed_2lyl 1
53 R10 513 1 513 7 parsed_2lyl 1
54 E11 520 1 520 7 parsed_2lyl 1
55 K12 527 1 527 7 parsed_2lyl 1
56 K13 534 1 534 7 parsed_2lyl 1
57 K14 541 1 541 7 parsed_2lyl 1
58 I15 548 1 548 7 parsed_2lyl 1
59 S16 555 1 555 7 parsed_2lyl 1
60 Q17 562 1 562 7 parsed_2lyl 1
61 S18 569 1 569 7 parsed_2lyl 1
62 E19 576 1 576 7 parsed_2lyl 1
63 L20 583 1 583 7 parsed_2lyl 1
64 A21 590 1 590 7 parsed_2lyl 1
65 A22 597 1 597 7 parsed_2lyl 1
66 L23 604 1 604 7 parsed_2lyl 1
67 L24 611 1 611 7 parsed_2lyl 1
68
;
E25
assign
(resid 25 and name N and segid A )
(resid 25 and name CA and segid A )
(resid 25 and name C and segid A )
(resid 26 and name N and segid A ) 1 45.91 32.00 2
V26
;
618 1 625 7 parsed_2lyl 1
69
;
S27
assign
(resid 27 and name N and segid A )
(resid 27 and name CA and segid A )
(resid 27 and name C and segid A )
(resid 28 and name N and segid A ) 1 -40.00 11.00 2
R28
;
632 1 639 7 parsed_2lyl 1
70 Q29 646 1 646 7 parsed_2lyl 1
71 T30 653 1 653 7 parsed_2lyl 1
72 I31 660 1 660 7 parsed_2lyl 1
73 N32 667 1 667 7 parsed_2lyl 1
74 G33 674 1 674 7 parsed_2lyl 1
75 I34 681 1 681 7 parsed_2lyl 1
76 E35 688 1 688 7 parsed_2lyl 1
77
;
K36
assign
(resid 36 and name N and segid A )
(resid 36 and name CA and segid A )
(resid 36 and name C and segid A )
(resid 37 and name N and segid A ) 1 0.83 11.00 2
N37
assign
(resid 37 and name N and segid A )
(resid 37 and name CA and segid A )
(resid 37 and name C and segid A )
(resid 38 and name N and segid A ) 1 -38.83 32.00 2
K38
assign
(resid 38 and name N and segid A )
(resid 38 and name CA and segid A )
(resid 38 and name C and segid A )
(resid 39 and name N and segid A ) 1 -23.53 32.00 2
Y39
;
695 1 716 7 parsed_2lyl 1
78 N40 723 1 723 7 parsed_2lyl 1
79
;
P41
assign
(resid 41 and name N and segid A )
(resid 41 and name CA and segid A )
(resid 41 and name C and segid A )
(resid 42 and name N and segid A ) 1 137.03 32.00 2
S42
;
730 1 737 7 parsed_2lyl 1
80 L43 744 1 744 7 parsed_2lyl 1
81 Q44 751 1 751 7 parsed_2lyl 1
82 L45 758 1 758 7 parsed_2lyl 1
83 A46 765 1 765 7 parsed_2lyl 1
84 L47 772 1 772 7 parsed_2lyl 1
85 K48 779 1 779 7 parsed_2lyl 1
86 I49 786 1 786 7 parsed_2lyl 1
87 A50 793 1 793 7 parsed_2lyl 1
88 Y51 800 1 800 7 parsed_2lyl 1
89 Y52 807 1 807 7 parsed_2lyl 1
90 L53 814 1 814 7 parsed_2lyl 1
91 N54 821 1 821 7 parsed_2lyl 1
92 T55 828 1 828 7 parsed_2lyl 1
93
;
P56
assign
(resid 56 and name N and segid A )
(resid 56 and name CA and segid A )
(resid 56 and name C and segid A )
(resid 57 and name N and segid A ) 1 143.63 32.00 2
L57
;
835 1 842 7 parsed_2lyl 1
94 E58 849 1 849 7 parsed_2lyl 1
95 D59 856 1 856 7 parsed_2lyl 1
96 I60 863 1 863 7 parsed_2lyl 1
97
;
F61
assign
(resid 61 and name N and segid A )
(resid 61 and name CA and segid A )
(resid 61 and name C and segid A )
(resid 62 and name N and segid A ) 1 -41.30 11.00 2
Q62
assign
(resid 62 and name N and segid A )
(resid 62 and name CA and segid A )
(resid 62 and name C and segid A )
(resid 63 and name N and segid A ) 1 113.37 22.00 2
W63
assign
(resid 63 and name N and segid A )
(resid 63 and name CA and segid A )
(resid 63 and name C and segid A )
(resid 64 and name N and segid A ) 1 136.70 22.00 2
Q64
assign
(resid 64 and name N and segid A )
(resid 64 and name CA and segid A )
(resid 64 and name C and segid A )
(resid 65 and name N and segid A ) 1 133.84 22.00 2
P65
assign
(resid 65 and name N and segid A )
(resid 65 and name CA and segid A )
(resid 65 and name C and segid A )
(resid 66 and name N and segid A ) 1 142.42 32.00 2
! { Dihedral Angle Restraints }
!phi C(i-1)-N(i)-CA(i)-C(i)
I2
;
870 1 908 6 parsed_2lyl 1
98
;
I3
assign
(resid 2 and name C and segid B )
(resid 3 and name N and segid B )
(resid 3 and name CA and segid B )
(resid 3 and name C and segid B ) 1 -81.16 40.00 2
N4
assign
(resid 3 and name C and segid B )
(resid 4 and name N and segid B )
(resid 4 and name CA and segid B )
(resid 4 and name C and segid B ) 1 -109.43 30.00 2
N5
assign
(resid 4 and name C and segid B )
(resid 5 and name N and segid B )
(resid 5 and name CA and segid B )
(resid 5 and name C and segid B ) 1 -80.63 20.00 2
L6
;
915 1 936 6 parsed_2lyl 1
99 K7 943 1 943 6 parsed_2lyl 1
100 L8 950 1 950 6 parsed_2lyl 1
101 I9 957 1 957 6 parsed_2lyl 1
102 R10 964 1 964 7 parsed_2lyl 1
103 E11 971 1 971 7 parsed_2lyl 1
104 K12 978 1 978 7 parsed_2lyl 1
105 K13 985 1 985 7 parsed_2lyl 1
106 K14 992 1 992 7 parsed_2lyl 1
107 I15 999 1 999 7 parsed_2lyl 1
108 S16 1006 1 1006 7 parsed_2lyl 1
109 Q17 1013 1 1013 7 parsed_2lyl 1
110 S18 1020 1 1020 7 parsed_2lyl 1
111 E19 1027 1 1027 7 parsed_2lyl 1
112 L20 1034 1 1034 7 parsed_2lyl 1
113 A21 1041 1 1041 7 parsed_2lyl 1
114 A22 1048 1 1048 7 parsed_2lyl 1
115 L23 1055 1 1055 7 parsed_2lyl 1
116 L24 1062 1 1062 7 parsed_2lyl 1
117 E25 1069 1 1069 7 parsed_2lyl 1
118 V26 1076 1 1076 7 parsed_2lyl 1
119 S27 1083 1 1083 7 parsed_2lyl 1
120 R28 1090 1 1090 7 parsed_2lyl 1
121 Q29 1097 1 1097 7 parsed_2lyl 1
122 T30 1104 1 1104 7 parsed_2lyl 1
123 I31 1111 1 1111 7 parsed_2lyl 1
124 N32 1118 1 1118 7 parsed_2lyl 1
125 G33 1125 1 1125 7 parsed_2lyl 1
126 I34 1132 1 1132 7 parsed_2lyl 1
127 E35 1139 1 1139 7 parsed_2lyl 1
128
;
K36
assign
(resid 35 and name C and segid B )
(resid 36 and name N and segid B )
(resid 36 and name CA and segid B )
(resid 36 and name C and segid B ) 1 -92.76 10.00 2
N37
assign
(resid 36 and name C and segid B )
(resid 37 and name N and segid B )
(resid 37 and name CA and segid B )
(resid 37 and name C and segid B ) 1 -70.37 30.00 2
K38
assign
(resid 37 and name C and segid B )
(resid 38 and name N and segid B )
(resid 38 and name CA and segid B )
(resid 38 and name C and segid B ) 1 -76.27 30.00 2
Y39
assign
(resid 38 and name C and segid B )
(resid 39 and name N and segid B )
(resid 39 and name CA and segid B )
(resid 39 and name C and segid B ) 1 -87.28 30.00 2
N40
;
1146 1 1174 7 parsed_2lyl 1
129
;
P41
assign
(resid 40 and name C and segid B )
(resid 41 and name N and segid B )
(resid 41 and name CA and segid B )
(resid 41 and name C and segid B ) 1 -57.69 30.00 2
S42
;
1181 1 1188 7 parsed_2lyl 1
130 L43 1195 1 1195 7 parsed_2lyl 1
131 Q44 1202 1 1202 7 parsed_2lyl 1
132 L45 1209 1 1209 7 parsed_2lyl 1
133 A46 1216 1 1216 7 parsed_2lyl 1
134 L47 1223 1 1223 7 parsed_2lyl 1
135 K48 1230 1 1230 7 parsed_2lyl 1
136 I49 1237 1 1237 7 parsed_2lyl 1
137 A50 1244 1 1244 7 parsed_2lyl 1
138 Y51 1251 1 1251 7 parsed_2lyl 1
139 Y52 1258 1 1258 7 parsed_2lyl 1
140 L53 1265 1 1265 7 parsed_2lyl 1
141
;
N54
assign
(resid 53 and name C and segid B )
(resid 54 and name N and segid B )
(resid 54 and name CA and segid B )
(resid 54 and name C and segid B ) 1 -66.91 30.00 2
T55
;
1272 1 1279 7 parsed_2lyl 1
142
;
P56
assign
(resid 55 and name C and segid B )
(resid 56 and name N and segid B )
(resid 56 and name CA and segid B )
(resid 56 and name C and segid B ) 1 -63.92 30.00 2
L57
;
1286 1 1293 7 parsed_2lyl 1
143 E58 1300 1 1300 7 parsed_2lyl 1
144 D59 1307 1 1307 7 parsed_2lyl 1
145
;
I60
assign
(resid 59 and name C and segid B )
(resid 60 and name N and segid B )
(resid 60 and name CA and segid B )
(resid 60 and name C and segid B ) 1 -63.62 10.00 2
F61
assign
(resid 60 and name C and segid B )
(resid 61 and name N and segid B )
(resid 61 and name CA and segid B )
(resid 61 and name C and segid B ) 1 -69.26 10.00 2
Q62
assign
(resid 61 and name C and segid B )
(resid 62 and name N and segid B )
(resid 62 and name CA and segid B )
(resid 62 and name C and segid B ) 1 -118.02 20.00 2
W63
assign
(resid 62 and name C and segid B )
(resid 63 and name N and segid B )
(resid 63 and name CA and segid B )
(resid 63 and name C and segid B ) 1 -94.54 20.00 2
Q64
assign
(resid 63 and name C and segid B )
(resid 64 and name N and segid B )
(resid 64 and name CA and segid B )
(resid 64 and name C and segid B ) 1 -129.61 20.00 2
P65
assign
(resid 64 and name C and segid B )
(resid 65 and name N and segid B )
(resid 65 and name CA and segid B )
(resid 65 and name C and segid B ) 1 -70.40 30.00 2
! { Dihedral Angle Restraints }
!psi N(i)-CA(i)-C(i)-N(i+1)
I2
assign
(resid 2 and name N and segid B )
(resid 2 and name CA and segid B )
(resid 2 and name C and segid B )
(resid 3 and name N and segid B ) 1 125.15 42.00 2
I3
assign
(resid 3 and name N and segid B )
(resid 3 and name CA and segid B )
(resid 3 and name C and segid B )
(resid 4 and name N and segid B ) 1 135.64 42.00 2
N4
assign
(resid 4 and name N and segid B )
(resid 4 and name CA and segid B )
(resid 4 and name C and segid B )
(resid 5 and name N and segid B ) 1 127.67 32.00 2
N5
assign
(resid 5 and name N and segid B )
(resid 5 and name CA and segid B )
(resid 5 and name C and segid B )
(resid 6 and name N and segid B ) 1 162.15 22.00 2
L6
;
1314 1 1389 6 parsed_2lyl 1
146 K7 1396 1 1396 6 parsed_2lyl 1
147 L8 1403 1 1403 6 parsed_2lyl 1
148 I9 1410 1 1410 6 parsed_2lyl 1
149 R10 1417 1 1417 7 parsed_2lyl 1
150 E11 1424 1 1424 7 parsed_2lyl 1
151 K12 1431 1 1431 7 parsed_2lyl 1
152 K13 1438 1 1438 7 parsed_2lyl 1
153 K14 1445 1 1445 7 parsed_2lyl 1
154 I15 1452 1 1452 7 parsed_2lyl 1
155 S16 1459 1 1459 7 parsed_2lyl 1
156 Q17 1466 1 1466 7 parsed_2lyl 1
157 S18 1473 1 1473 7 parsed_2lyl 1
158 E19 1480 1 1480 7 parsed_2lyl 1
159 L20 1487 1 1487 7 parsed_2lyl 1
160 A21 1494 1 1494 7 parsed_2lyl 1
161 A22 1501 1 1501 7 parsed_2lyl 1
162 L23 1508 1 1508 7 parsed_2lyl 1
163 L24 1515 1 1515 7 parsed_2lyl 1
164
;
E25
assign
(resid 25 and name N and segid B )
(resid 25 and name CA and segid B )
(resid 25 and name C and segid B )
(resid 26 and name N and segid B ) 1 45.91 32.00 2
V26
;
1522 1 1529 7 parsed_2lyl 1
165
;
S27
assign
(resid 27 and name N and segid B )
(resid 27 and name CA and segid B )
(resid 27 and name C and segid B )
(resid 28 and name N and segid B ) 1 -40.00 11.00 2
R28
;
1536 1 1543 7 parsed_2lyl 1
166 Q29 1550 1 1550 7 parsed_2lyl 1
167 T30 1557 1 1557 7 parsed_2lyl 1
168 I31 1564 1 1564 7 parsed_2lyl 1
169 N32 1571 1 1571 7 parsed_2lyl 1
170 G33 1578 1 1578 7 parsed_2lyl 1
171 I34 1585 1 1585 7 parsed_2lyl 1
172 E35 1592 1 1592 7 parsed_2lyl 1
173
;
K36
assign
(resid 36 and name N and segid B )
(resid 36 and name CA and segid B )
(resid 36 and name C and segid B )
(resid 37 and name N and segid B ) 1 0.83 11.00 2
N37
assign
(resid 37 and name N and segid B )
(resid 37 and name CA and segid B )
(resid 37 and name C and segid B )
(resid 38 and name N and segid B ) 1 -38.83 32.00 2
K38
assign
(resid 38 and name N and segid B )
(resid 38 and name CA and segid B )
(resid 38 and name C and segid B )
(resid 39 and name N and segid B ) 1 -23.53 32.00 2
Y39
;
1599 1 1620 7 parsed_2lyl 1
174 N40 1627 1 1627 7 parsed_2lyl 1
175
;
P41
assign
(resid 41 and name N and segid B )
(resid 41 and name CA and segid B )
(resid 41 and name C and segid B )
(resid 42 and name N and segid B ) 1 137.03 32.00 2
S42
;
1634 1 1641 7 parsed_2lyl 1
176 L43 1648 1 1648 7 parsed_2lyl 1
177 Q44 1655 1 1655 7 parsed_2lyl 1
178 L45 1662 1 1662 7 parsed_2lyl 1
179 A46 1669 1 1669 7 parsed_2lyl 1
180 L47 1676 1 1676 7 parsed_2lyl 1
181 K48 1683 1 1683 7 parsed_2lyl 1
182 I49 1690 1 1690 7 parsed_2lyl 1
183 A50 1697 1 1697 7 parsed_2lyl 1
184 Y51 1704 1 1704 7 parsed_2lyl 1
185 Y52 1711 1 1711 7 parsed_2lyl 1
186 L53 1718 1 1718 7 parsed_2lyl 1
187 N54 1725 1 1725 7 parsed_2lyl 1
188 T55 1732 1 1732 7 parsed_2lyl 1
189
;
P56
assign
(resid 56 and name N and segid B )
(resid 56 and name CA and segid B )
(resid 56 and name C and segid B )
(resid 57 and name N and segid B ) 1 143.63 32.00 2
L57
;
1739 1 1746 7 parsed_2lyl 1
190 E58 1753 1 1753 7 parsed_2lyl 1
191 D59 1760 1 1760 7 parsed_2lyl 1
192 I60 1767 1 1767 7 parsed_2lyl 1
193
;
F61
assign
(resid 61 and name N and segid B )
(resid 61 and name CA and segid B )
(resid 61 and name C and segid B )
(resid 62 and name N and segid B ) 1 -41.30 11.00 2
Q62
assign
(resid 62 and name N and segid B )
(resid 62 and name CA and segid B )
(resid 62 and name C and segid B )
(resid 63 and name N and segid B ) 1 113.37 22.00 2
W63
assign
(resid 63 and name N and segid B )
(resid 63 and name CA and segid B )
(resid 63 and name C and segid B )
(resid 64 and name N and segid B ) 1 136.70 22.00 2
Q64
assign
(resid 64 and name N and segid B )
(resid 64 and name CA and segid B )
(resid 64 and name C and segid B )
(resid 65 and name N and segid B ) 1 133.84 22.00 2
P65
assign
(resid 65 and name N and segid B )
(resid 65 and name CA and segid B )
(resid 65 and name C and segid B )
(resid 66 and name N and segid B ) 1 142.42 32.00 2
;
1774 1 1807 76 parsed_2lyl 1
stop_
save_
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