NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | item_count |
|
|
515501 |
1d3z   |
6457 | cing | recoord | 2-parsed | STAR | dihedral angle | 98 |
data_1d3z_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1d3z
_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_1d3z 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1d3z
_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 1d3z "Master copy" parsed_1d3z
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1d3z
_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 1d3z.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1d3z 1
1 1d3z.mr . . XPLOR/CNS 2 distance NOE ambi 2727 parsed_1d3z 1
1 1d3z.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 parsed_1d3z 1
1 1d3z.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 27 parsed_1d3z 1
1 1d3z.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1d3z 1
1 1d3z.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 98 parsed_1d3z 1
1 1d3z.mr . . n/a 7 comment "Not applicable" "Not applicable" 0 parsed_1d3z 1
1 1d3z.mr . . XPLOR/CNS 8 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_1d3z 1
1 1d3z.mr . . XPLOR/CNS 9 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_1d3z 1
1 1d3z.mr . . XPLOR/CNS 10 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_1d3z 1
1 1d3z.mr . . XPLOR/CNS 11 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_1d3z 1
1 1d3z.mr . . XPLOR/CNS 12 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_1d3z 1
1 1d3z.mr . . XPLOR/CNS 13 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_1d3z 1
1 1d3z.mr . . XPLOR/CNS 14 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_1d3z 1
1 1d3z.mr . . XPLOR/CNS 15 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_1d3z 1
1 1d3z.mr . . XPLOR/CNS 16 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_1d3z 1
1 1d3z.mr . . XPLOR/CNS 17 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_1d3z 1
1 1d3z.mr . . XPLOR/CNS 18 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_1d3z 1
1 1d3z.mr . . XPLOR/CNS 19 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_1d3z 1
1 1d3z.mr . . n/a 20 comment "Not applicable" "Not applicable" 0 parsed_1d3z 1
1 1d3z.mr . . XPLOR/CNS 21 "coupling constant" "Not applicable" "Not applicable" 0 parsed_1d3z 1
1 1d3z.mr . . n/a 22 comment "Not applicable" "Not applicable" 0 parsed_1d3z 1
1 1d3z.mr . . XPLOR/CNS 23 "coupling constant" "Not applicable" "Not applicable" 0 parsed_1d3z 1
1 1d3z.mr . . n/a 24 comment "Not applicable" "Not applicable" 0 parsed_1d3z 1
1 1d3z.mr . . XPLOR/CNS 25 "coupling constant" "Not applicable" "Not applicable" 0 parsed_1d3z 1
1 1d3z.mr . . n/a 26 comment "Not applicable" "Not applicable" 0 parsed_1d3z 1
1 1d3z.mr . . XPLOR/CNS 27 "coupling constant" "Not applicable" "Not applicable" 0 parsed_1d3z 1
1 1d3z.mr . . n/a 28 comment "Not applicable" "Not applicable" 0 parsed_1d3z 1
1 1d3z.mr . . XPLOR/CNS 29 "coupling constant" "Not applicable" "Not applicable" 0 parsed_1d3z 1
1 1d3z.mr . . n/a 30 comment "Not applicable" "Not applicable" 0 parsed_1d3z 1
1 1d3z.mr . . XPLOR/CNS 31 "coupling constant" "Not applicable" "Not applicable" 0 parsed_1d3z 1
1 1d3z.mr . . "MR format" 32 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1d3z 1
stop_
save_
save_CNS/XPLOR_dihedral_6
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1d3z
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 6
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -137.80 -137.80 . . 2 . c . 3 . n . 3 . ca . 3 . c parsed_1d3z 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -111.70 -111.70 . . 3 . c . 4 . n . 4 . ca . 4 . c parsed_1d3z 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -127.80 -127.80 . . 4 . c . 5 . n . 5 . ca . 5 . c parsed_1d3z 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.50 -100.50 . . 5 . c . 6 . n . 6 . ca . 6 . c parsed_1d3z 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.60 -95.60 . . 6 . c . 7 . n . 7 . ca . 7 . c parsed_1d3z 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.70 -60.70 . . 7 . c . 8 . n . 8 . ca . 8 . c parsed_1d3z 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.40 -96.40 . . 8 . c . 9 . n . 9 . ca . 9 . c parsed_1d3z 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.70 -84.70 . . 10 . c . 11 . n . 11 . ca . 11 . c parsed_1d3z 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -113.80 -113.80 . . 11 . c . 12 . n . 12 . ca . 12 . c parsed_1d3z 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109.10 -109.10 . . 12 . c . 13 . n . 13 . ca . 13 . c parsed_1d3z 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.10 -102.10 . . 13 . c . 14 . n . 14 . ca . 14 . c parsed_1d3z 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -123.50 -123.50 . . 14 . c . 15 . n . 15 . ca . 15 . c parsed_1d3z 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -106.50 -106.50 . . 15 . c . 16 . n . 16 . ca . 16 . c parsed_1d3z 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.30 -140.30 . . 16 . c . 17 . n . 17 . ca . 17 . c parsed_1d3z 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -112.30 -112.30 . . 17 . c . 18 . n . 18 . ca . 18 . c parsed_1d3z 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.30 -84.30 . . 19 . c . 20 . n . 20 . ca . 20 . c parsed_1d3z 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.10 -71.10 . . 20 . c . 21 . n . 21 . ca . 21 . c parsed_1d3z 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.80 -82.80 . . 21 . c . 22 . n . 22 . ca . 22 . c parsed_1d3z 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -60.00 . . 22 . c . 23 . n . 23 . ca . 23 . c parsed_1d3z 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.60 -70.60 . . 24 . c . 25 . n . 25 . ca . 25 . c parsed_1d3z 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.90 -70.90 . . 25 . c . 26 . n . 26 . ca . 26 . c parsed_1d3z 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.30 -63.30 . . 26 . c . 27 . n . 27 . ca . 27 . c parsed_1d3z 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.20 -61.20 . . 27 . c . 28 . n . 28 . ca . 28 . c parsed_1d3z 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.60 -68.60 . . 28 . c . 29 . n . 29 . ca . 29 . c parsed_1d3z 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.20 -68.20 . . 29 . c . 30 . n . 30 . ca . 30 . c parsed_1d3z 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -60.00 . . 30 . c . 31 . n . 31 . ca . 31 . c parsed_1d3z 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.50 -57.50 . . 31 . c . 32 . n . 32 . ca . 32 . c parsed_1d3z 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.90 -83.90 . . 32 . c . 33 . n . 33 . ca . 33 . c parsed_1d3z 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -108.30 -108.30 . . 33 . c . 34 . n . 34 . ca . 34 . c parsed_1d3z 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.30 -91.30 . . 35 . c . 36 . n . 36 . ca . 36 . c parsed_1d3z 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.20 -57.20 . . 37 . c . 38 . n . 38 . ca . 38 . c parsed_1d3z 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.10 -69.10 . . 38 . c . 39 . n . 39 . ca . 39 . c parsed_1d3z 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101.20 -101.20 . . 39 . c . 40 . n . 40 . ca . 40 . c parsed_1d3z 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.30 -94.30 . . 40 . c . 41 . n . 41 . ca . 41 . c parsed_1d3z 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.20 -130.20 . . 41 . c . 42 . n . 42 . ca . 42 . c parsed_1d3z 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.80 -104.80 . . 42 . c . 43 . n . 43 . ca . 43 . c parsed_1d3z 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -121.40 -121.40 . . 43 . c . 44 . n . 44 . ca . 44 . c parsed_1d3z 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.80 -140.80 . . 44 . c . 45 . n . 45 . ca . 45 . c parsed_1d3z 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 43.40 43.40 . . 45 . c . 46 . n . 46 . ca . 46 . c parsed_1d3z 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.70 -110.70 . . 47 . c . 48 . n . 48 . ca . 48 . c parsed_1d3z 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.70 -78.70 . . 48 . c . 49 . n . 49 . ca . 49 . c parsed_1d3z 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.70 -83.70 . . 49 . c . 50 . n . 50 . ca . 50 . c parsed_1d3z 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.40 -93.40 . . 50 . c . 51 . n . 51 . ca . 51 . c parsed_1d3z 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.00 -47.00 . . 51 . c . 52 . n . 52 . ca . 52 . c parsed_1d3z 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.90 -82.90 . . 52 . c . 53 . n . 53 . ca . 53 . c parsed_1d3z 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.40 -99.40 . . 53 . c . 54 . n . 54 . ca . 54 . c parsed_1d3z 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.00 -102.00 . . 54 . c . 55 . n . 55 . ca . 55 . c parsed_1d3z 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.00 -53.00 . . 55 . c . 56 . n . 56 . ca . 56 . c parsed_1d3z 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.40 -56.40 . . 56 . c . 57 . n . 57 . ca . 57 . c parsed_1d3z 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.90 -59.90 . . 57 . c . 58 . n . 58 . ca . 58 . c parsed_1d3z 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.50 -100.50 . . 58 . c . 59 . n . 59 . ca . 59 . c parsed_1d3z 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50.40 50.40 . . 59 . c . 60 . n . 60 . ca . 60 . c parsed_1d3z 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.50 -81.50 . . 60 . c . 61 . n . 61 . ca . 61 . c parsed_1d3z 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.80 -105.80 . . 61 . c . 62 . n . 62 . ca . 62 . c parsed_1d3z 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.70 -45.70 . . 62 . c . 63 . n . 63 . ca . 63 . c parsed_1d3z 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 64.20 64.20 . . 63 . c . 64 . n . 64 . ca . 64 . c parsed_1d3z 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.10 -71.10 . . 64 . c . 65 . n . 65 . ca . 65 . c parsed_1d3z 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -107.80 -107.80 . . 65 . c . 66 . n . 66 . ca . 66 . c parsed_1d3z 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.60 -102.60 . . 66 . c . 67 . n . 67 . ca . 67 . c parsed_1d3z 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -108.80 -108.80 . . 67 . c . 68 . n . 68 . ca . 68 . c parsed_1d3z 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -107.30 -107.30 . . 68 . c . 69 . n . 69 . ca . 69 . c parsed_1d3z 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -124.80 -124.80 . . 69 . c . 70 . n . 70 . ca . 70 . c parsed_1d3z 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.00 -94.00 . . 70 . c . 71 . n . 71 . ca . 71 . c parsed_1d3z 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 65.70 65.70 . . 3 . n . 3 . ca . 3 . cb . 3 . cg1 parsed_1d3z 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.60 -51.60 . . 4 . n . 4 . ca . 4 . cb . 4 . cg parsed_1d3z 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169.50 -169.50 . . 5 . n . 5 . ca . 5 . cb . 5 . cg1 parsed_1d3z 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 76.70 76.70 . . 7 . n . 7 . ca . 7 . cb . 7 . og1 parsed_1d3z 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 69.00 69.00 . . 9 . n . 9 . ca . 9 . cb . 9 . og1 parsed_1d3z 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.60 -73.60 . . 12 . n . 12 . ca . 12 . cb . 12 . og1 parsed_1d3z 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.10 -59.10 . . 17 . n . 17 . ca . 17 . cb . 17 . cg1 parsed_1d3z 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.90 -53.90 . . 18 . n . 18 . ca . 18 . cb . 18 . cg parsed_1d3z 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.60 -80.60 . . 21 . n . 21 . ca . 21 . cb . 21 . cg parsed_1d3z 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 67.30 67.30 . . 22 . n . 22 . ca . 22 . cb . 22 . og1 parsed_1d3z 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.10 -69.10 . . 23 . n . 23 . ca . 23 . cb . 23 . cg1 parsed_1d3z 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 166.90 166.90 . . 26 . n . 26 . ca . 26 . cb . 26 . cg1 parsed_1d3z 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.80 -62.80 . . 27 . n . 27 . ca . 27 . cb . 27 . cg parsed_1d3z 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.70 -70.70 . . 29 . n . 29 . ca . 29 . cb . 29 . cg parsed_1d3z 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.90 -69.90 . . 30 . n . 30 . ca . 30 . cb . 30 . cg1 parsed_1d3z 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.50 178.50 . . 31 . n . 31 . ca . 31 . cb . 31 . cg parsed_1d3z 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44.40 -44.40 . . 36 . n . 36 . ca . 36 . cb . 36 . cg1 parsed_1d3z 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.50 -55.50 . . 40 . n . 40 . ca . 40 . cb . 40 . cg parsed_1d3z 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.40 -65.40 . . 43 . n . 43 . ca . 43 . cb . 43 . cg parsed_1d3z 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175.10 175.10 . . 45 . n . 45 . ca . 45 . cb . 45 . cg parsed_1d3z 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.20 -54.20 . . 50 . n . 50 . ca . 50 . cb . 50 . cg parsed_1d3z 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.40 -80.40 . . 52 . n . 52 . ca . 52 . cb . 52 . cg parsed_1d3z 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.40 -60.40 . . 54 . n . 54 . ca . 54 . cb . 54 . cg parsed_1d3z 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.80 60.80 . . 55 . n . 55 . ca . 55 . cb . 55 . og1 parsed_1d3z 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.50 -55.50 . . 56 . n . 56 . ca . 56 . cb . 56 . cg parsed_1d3z 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.00 -67.00 . . 58 . n . 58 . ca . 58 . cb . 58 . cg parsed_1d3z 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.10 -59.10 . . 59 . n . 59 . ca . 59 . cb . 59 . cg parsed_1d3z 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.40 -78.40 . . 61 . n . 61 . ca . 61 . cb . 61 . cg1 parsed_1d3z 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.20 -70.20 . . 62 . n . 62 . ca . 62 . cb . 62 . cg parsed_1d3z 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50.70 50.70 . . 63 . n . 63 . ca . 63 . cb . 63 . cg parsed_1d3z 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.70 -51.70 . . 64 . n . 64 . ca . 64 . cb . 64 . cg parsed_1d3z 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.60 -55.60 . . 65 . n . 65 . ca . 65 . cb . 65 . og parsed_1d3z 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.90 -64.90 . . 66 . n . 66 . ca . 66 . cb . 66 . og1 parsed_1d3z 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.70 -53.70 . . 68 . n . 68 . ca . 68 . cb . 68 . cg parsed_1d3z 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 169.90 169.90 . . 69 . n . 69 . ca . 69 . cb . 69 . cg parsed_1d3z 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
;
!! PHI DIHEDRAL RESTRAINTS
! M1
! Q2
! I3
;
1 1 5 10 parsed_1d3z 1
2 "! F4" 8 3 8 10 parsed_1d3z 1
3 "! V5" 11 3 11 10 parsed_1d3z 1
4 "! K6" 14 3 14 10 parsed_1d3z 1
5 "! T7" 17 3 17 10 parsed_1d3z 1
6 "! L8" 20 3 20 10 parsed_1d3z 1
7 "! T9" 23 3 23 10 parsed_1d3z 1
8
;
! G10
! K11
;
26 3 27 11 parsed_1d3z 1
9 "! T12" 30 3 30 11 parsed_1d3z 1
10 "! I13" 33 3 33 11 parsed_1d3z 1
11 "! T14" 36 3 36 11 parsed_1d3z 1
12 "! L15" 39 3 39 11 parsed_1d3z 1
13 "! E16" 42 3 42 11 parsed_1d3z 1
14 "! V17" 45 3 45 11 parsed_1d3z 1
15 "! E18" 48 3 48 11 parsed_1d3z 1
16
;
! P19
! S20
;
51 3 52 11 parsed_1d3z 1
17 "! D21" 55 3 55 11 parsed_1d3z 1
18 "! T22" 58 3 58 11 parsed_1d3z 1
19 "! I23" 61 3 61 11 parsed_1d3z 1
20
;
! E24
! N25
;
64 3 65 11 parsed_1d3z 1
21 "! V26" 68 3 68 11 parsed_1d3z 1
22 "! K27" 71 3 71 11 parsed_1d3z 1
23 "! A28" 74 3 74 11 parsed_1d3z 1
24 "! K29" 77 3 77 11 parsed_1d3z 1
25 "! I30" 80 3 80 11 parsed_1d3z 1
26 "! Q31" 83 3 83 11 parsed_1d3z 1
27 "! D32" 86 3 86 11 parsed_1d3z 1
28 "! K33" 89 3 89 11 parsed_1d3z 1
29 "! E34" 92 3 92 11 parsed_1d3z 1
30
;
! G35
! I36
;
95 3 96 11 parsed_1d3z 1
31
;
! P37
! P38
;
99 3 100 11 parsed_1d3z 1
32 "! D39" 103 3 103 11 parsed_1d3z 1
33 "! Q40" 106 3 106 11 parsed_1d3z 1
34 "! Q41" 109 3 109 11 parsed_1d3z 1
35 "! R42" 112 3 112 11 parsed_1d3z 1
36 "! L43" 115 3 115 11 parsed_1d3z 1
37 "! I44" 118 3 118 11 parsed_1d3z 1
38 "! F45" 121 3 121 11 parsed_1d3z 1
39 "! A46" 124 3 124 11 parsed_1d3z 1
40
;
! G47
! K48
;
127 3 128 11 parsed_1d3z 1
41 "! Q49" 131 3 131 11 parsed_1d3z 1
42 "! L50" 134 3 134 11 parsed_1d3z 1
43 "! E51" 137 3 137 11 parsed_1d3z 1
44 "! D52" 140 3 140 11 parsed_1d3z 1
45 "! G53" 143 3 143 11 parsed_1d3z 1
46 "! R54" 146 3 146 11 parsed_1d3z 1
47 "! T55" 149 3 149 11 parsed_1d3z 1
48 "! L56" 152 3 152 11 parsed_1d3z 1
49 "! S57" 155 3 155 11 parsed_1d3z 1
50 "! D58" 158 3 158 11 parsed_1d3z 1
51 "! Y59" 161 3 161 11 parsed_1d3z 1
52 "! N60" 164 3 164 11 parsed_1d3z 1
53 "! I61" 167 3 167 11 parsed_1d3z 1
54 "! Q62" 170 3 170 11 parsed_1d3z 1
55 "! K63" 173 3 173 11 parsed_1d3z 1
56 "! E64" 176 3 176 11 parsed_1d3z 1
57 "! S65" 179 3 179 11 parsed_1d3z 1
58 "! T66" 182 3 182 11 parsed_1d3z 1
59 "! L67" 185 3 185 11 parsed_1d3z 1
60 "! H68" 188 3 188 11 parsed_1d3z 1
61 "! L69" 191 3 191 11 parsed_1d3z 1
62 "! V70" 194 3 194 11 parsed_1d3z 1
63 "! L71" 197 3 197 11 parsed_1d3z 1
64
;
! R72
! L73
! R74
! G75
! G76
!! CHI DIHEDRAL RESTRAINTS
! I3
;
200 3 208 10 parsed_1d3z 1
65 "! F4" 211 3 211 10 parsed_1d3z 1
66 "! V5" 214 3 214 10 parsed_1d3z 1
67 "! T7" 217 3 217 10 parsed_1d3z 1
68 "! T9" 220 3 220 10 parsed_1d3z 1
69 "! T12" 223 3 223 11 parsed_1d3z 1
70 "! V17" 226 3 226 11 parsed_1d3z 1
71 "! E18" 229 3 229 11 parsed_1d3z 1
72 "! D21" 232 3 232 11 parsed_1d3z 1
73 "! T22" 235 3 235 11 parsed_1d3z 1
74 "! I23" 238 3 238 11 parsed_1d3z 1
75 "! V26" 241 3 241 11 parsed_1d3z 1
76 "! K27" 244 3 244 11 parsed_1d3z 1
77 "! K29" 247 3 247 11 parsed_1d3z 1
78 "! I30" 250 3 250 11 parsed_1d3z 1
79 "! Q31" 253 3 253 11 parsed_1d3z 1
80 "! I36" 256 3 256 11 parsed_1d3z 1
81 "! Q40" 259 3 259 11 parsed_1d3z 1
82 "! L43" 262 3 262 11 parsed_1d3z 1
83 "! F45" 265 3 265 11 parsed_1d3z 1
84 "! L50" 268 3 268 11 parsed_1d3z 1
85 "! D52" 271 3 271 11 parsed_1d3z 1
86 "! R54" 274 3 274 11 parsed_1d3z 1
87 "! T55" 277 3 277 11 parsed_1d3z 1
88 "! L56" 280 3 280 11 parsed_1d3z 1
89 "! D58" 283 3 283 11 parsed_1d3z 1
90 "! Y59" 286 3 286 11 parsed_1d3z 1
91 "! I61" 289 3 289 11 parsed_1d3z 1
92 "! Q62" 292 3 292 11 parsed_1d3z 1
93 "! K63" 295 3 295 11 parsed_1d3z 1
94 "! E64" 298 3 298 11 parsed_1d3z 1
95 "! S65" 301 3 301 11 parsed_1d3z 1
96 "! T66" 304 3 304 11 parsed_1d3z 1
97 "! H68" 307 3 307 11 parsed_1d3z 1
98 "! L69" 310 3 310 11 parsed_1d3z 1
stop_
save_
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