NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
599376 |
2mz0   |
25468 | cing | 2-parsed | STAR | dihedral angle | 74 |
data_2mz0_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2mz0
_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_2mz0 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2mz0
_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 2mz0 "Master copy" parsed_2mz0
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2mz0
_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 2mz0.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2mz0 1
1 2mz0.mr . . XPLOR/CNS 2 distance NOE simple 2829 parsed_2mz0 1
1 2mz0.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 28 parsed_2mz0 1
1 2mz0.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 74 parsed_2mz0 1
1 2mz0.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2mz0 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2mz0
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 4
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.1 -56.1 . . 3 . c . 4 . n . 4 . ca . 4 . c parsed_2mz0 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.1 -110.1 . . 5 . c . 6 . n . 6 . ca . 6 . c parsed_2mz0 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -131.1 -71.1 . . 6 . c . 7 . n . 7 . ca . 7 . c parsed_2mz0 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -106.4 -46.4 . . 7 . c . 8 . n . 8 . ca . 8 . c parsed_2mz0 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -154.6 -94.6 . . 8 . c . 9 . n . 9 . ca . 9 . c parsed_2mz0 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -123.8 -63.8 . . 9 . c . 10 . n . 10 . ca . 10 . c parsed_2mz0 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -137.0 -77.0 . . 10 . c . 11 . n . 11 . ca . 11 . c parsed_2mz0 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.8 -37.8 . . 14 . c . 15 . n . 15 . ca . 15 . c parsed_2mz0 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.1 -49.1 . . 18 . c . 19 . n . 19 . ca . 19 . c parsed_2mz0 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.6 -32.6 . . 19 . c . 20 . n . 20 . ca . 20 . c parsed_2mz0 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.5 -36.5 . . 20 . c . 21 . n . 21 . ca . 21 . c parsed_2mz0 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.4 -36.4 . . 21 . c . 22 . n . 22 . ca . 22 . c parsed_2mz0 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.4 -32.4 . . 22 . c . 23 . n . 23 . ca . 23 . c parsed_2mz0 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.2 -32.2 . . 23 . c . 24 . n . 24 . ca . 24 . c parsed_2mz0 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.5 -36.5 . . 24 . c . 25 . n . 25 . ca . 25 . c parsed_2mz0 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.5 -35.5 . . 25 . c . 26 . n . 26 . ca . 26 . c parsed_2mz0 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.1 -30.1 . . 26 . c . 27 . n . 27 . ca . 27 . c parsed_2mz0 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.3 -34.3 . . 27 . c . 28 . n . 28 . ca . 28 . c parsed_2mz0 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -124.0 -64.0 . . 28 . c . 29 . n . 29 . ca . 29 . c parsed_2mz0 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.6 90.6 . . 29 . c . 30 . n . 30 . ca . 30 . c parsed_2mz0 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.6 -70.6 . . 31 . c . 32 . n . 32 . ca . 32 . c parsed_2mz0 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.1 -110.1 . . 34 . c . 35 . n . 35 . ca . 35 . c parsed_2mz0 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.3 -105.3 . . 35 . c . 36 . n . 36 . ca . 36 . c parsed_2mz0 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.6 -98.6 . . 36 . c . 37 . n . 37 . ca . 37 . c parsed_2mz0 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.4 -75.4 . . 37 . c . 38 . n . 38 . ca . 38 . c parsed_2mz0 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -132.3 -72.3 . . 38 . c . 39 . n . 39 . ca . 39 . c parsed_2mz0 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -70.0 . . 41 . c . 42 . n . 42 . ca . 42 . c parsed_2mz0 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -90.0 . . 43 . c . 44 . n . 44 . ca . 44 . c parsed_2mz0 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 85.0 . . 42 . c . 43 . n . 43 . ca . 43 . c parsed_2mz0 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -121.1 -61.1 . . 44 . c . 45 . n . 45 . ca . 45 . c parsed_2mz0 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.7 -98.7 . . 45 . c . 46 . n . 46 . ca . 46 . c parsed_2mz0 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.9 -95.9 . . 46 . c . 47 . n . 47 . ca . 47 . c parsed_2mz0 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.7 -90.7 . . 47 . c . 48 . n . 48 . ca . 48 . c parsed_2mz0 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.2 -100.2 . . 48 . c . 49 . n . 49 . ca . 49 . c parsed_2mz0 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -162.0 -102.0 . . 49 . c . 50 . n . 50 . ca . 50 . c parsed_2mz0 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -113.0 -53.0 . . 50 . c . 51 . n . 51 . ca . 51 . c parsed_2mz0 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.0 -110.0 . . 52 . c . 53 . n . 53 . ca . 53 . c parsed_2mz0 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.6 -60.6 . . 53 . c . 54 . n . 54 . ca . 54 . c parsed_2mz0 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.0 -28.0 . . 4 . n . 4 . ca . 4 . c . 5 . n parsed_2mz0 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 40.0 . . 6 . n . 6 . ca . 6 . c . 7 . n parsed_2mz0 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.0 172.0 . . 8 . n . 8 . ca . 8 . c . 9 . n parsed_2mz0 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.6 160.6 . . 9 . n . 9 . ca . 9 . c . 10 . n parsed_2mz0 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.5 165.5 . . 10 . n . 10 . ca . 10 . c . 11 . n parsed_2mz0 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.6 1.4 . . 11 . n . 11 . ca . 11 . c . 12 . n parsed_2mz0 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.3 -6.3 . . 15 . n . 15 . ca . 15 . c . 16 . n parsed_2mz0 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -50.0 . . 19 . n . 19 . ca . 19 . c . 20 . n parsed_2mz0 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.5 -9.5 . . 20 . n . 20 . ca . 20 . c . 21 . n parsed_2mz0 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.1 -9.1 . . 21 . n . 21 . ca . 21 . c . 22 . n parsed_2mz0 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.8 -9.8 . . 22 . n . 22 . ca . 22 . c . 23 . n parsed_2mz0 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.5 -9.5 . . 23 . n . 23 . ca . 23 . c . 24 . n parsed_2mz0 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.0 -8.0 . . 24 . n . 24 . ca . 24 . c . 25 . n parsed_2mz0 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.4 -10.4 . . 25 . n . 25 . ca . 25 . c . 26 . n parsed_2mz0 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.9 -9.9 . . 26 . n . 26 . ca . 26 . c . 27 . n parsed_2mz0 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.6 -6.6 . . 27 . n . 27 . ca . 27 . c . 28 . n parsed_2mz0 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.1 5.9 . . 28 . n . 28 . ca . 28 . c . 29 . n parsed_2mz0 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -16.3 43.7 . . 29 . n . 29 . ca . 29 . c . 30 . n parsed_2mz0 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1.0 61.0 . . 30 . n . 30 . ca . 30 . c . 31 . n parsed_2mz0 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123.2 183.2 . . 35 . n . 35 . ca . 35 . c . 36 . n parsed_2mz0 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.0 178.0 . . 36 . n . 36 . ca . 36 . c . 37 . n parsed_2mz0 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.7 181.7 . . 37 . n . 37 . ca . 37 . c . 38 . n parsed_2mz0 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96.8 156.8 . . 38 . n . 38 . ca . 38 . c . 39 . n parsed_2mz0 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.3 162.3 . . 39 . n . 39 . ca . 39 . c . 40 . n parsed_2mz0 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.0 10.0 . . 42 . n . 42 . ca . 42 . c . 43 . n parsed_2mz0 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 140.0 . . 44 . n . 44 . ca . 44 . c . 45 . n parsed_2mz0 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 50.0 . . 43 . n . 43 . ca . 43 . c . 44 . n parsed_2mz0 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.8 178.8 . . 45 . n . 45 . ca . 45 . c . 46 . n parsed_2mz0 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.4 170.4 . . 46 . n . 46 . ca . 46 . c . 47 . n parsed_2mz0 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 97.7 157.7 . . 47 . n . 47 . ca . 47 . c . 48 . n parsed_2mz0 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.9 162.9 . . 48 . n . 48 . ca . 48 . c . 49 . n parsed_2mz0 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 128.7 188.7 . . 49 . n . 49 . ca . 49 . c . 50 . n parsed_2mz0 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.8 178.8 . . 50 . n . 50 . ca . 50 . c . 51 . n parsed_2mz0 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.2 167.2 . . 51 . n . 51 . ca . 51 . c . 52 . n parsed_2mz0 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 40.0 . . 53 . n . 53 . ca . 53 . c . 54 . n parsed_2mz0 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96.5 156.5 . . 54 . n . 54 . ca . 54 . c . 55 . n parsed_2mz0 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 restraints: minimum deviation = 30 degrees
! 4
;
1 1 4 8 parsed_2mz0 1
2 "! 6" 7 1 7 8 parsed_2mz0 1
3 "! 7" 10 1 10 8 parsed_2mz0 1
4 "! 8" 13 1 13 8 parsed_2mz0 1
5 "! 9" 16 1 16 8 parsed_2mz0 1
6 "! 10" 19 1 19 9 parsed_2mz0 1
7 "! 11" 22 1 22 9 parsed_2mz0 1
8 "! 15" 25 1 25 9 parsed_2mz0 1
9 "! 19" 28 1 28 9 parsed_2mz0 1
10 "! 20" 31 1 31 9 parsed_2mz0 1
11 "! 21" 34 1 34 9 parsed_2mz0 1
12 "! 22" 38 1 38 9 parsed_2mz0 1
13 "! 23" 42 1 42 9 parsed_2mz0 1
14 "! 24" 45 1 45 9 parsed_2mz0 1
15 "! 25" 48 1 48 9 parsed_2mz0 1
16 "! 26" 51 1 51 9 parsed_2mz0 1
17 "! 27" 54 1 54 9 parsed_2mz0 1
18 "! 28" 57 1 57 9 parsed_2mz0 1
19 "! 29" 60 1 60 9 parsed_2mz0 1
20 "! 30" 63 1 63 9 parsed_2mz0 1
21 "! 32" 66 1 66 9 parsed_2mz0 1
22 "! 35" 69 1 69 9 parsed_2mz0 1
23 "! 36" 72 1 72 9 parsed_2mz0 1
24 "! 37" 75 1 75 9 parsed_2mz0 1
25 "! 38" 79 1 79 9 parsed_2mz0 1
26 "! 39" 83 1 83 9 parsed_2mz0 1
27 "! 42" 87 1 87 9 parsed_2mz0 1
28 "! 44" 90 1 90 9 parsed_2mz0 1
29 "! 43" 94 1 94 9 parsed_2mz0 1
30 "! 45" 97 1 97 9 parsed_2mz0 1
31 "! 46" 100 1 100 9 parsed_2mz0 1
32 "! 47" 103 1 103 9 parsed_2mz0 1
33 "! 48" 106 1 106 9 parsed_2mz0 1
34 "! 49" 109 1 109 9 parsed_2mz0 1
35 "! 50" 112 1 112 9 parsed_2mz0 1
36 "! 51" 115 1 115 9 parsed_2mz0 1
37 "! 53" 118 1 118 9 parsed_2mz0 1
38 "! 54" 121 1 121 9 parsed_2mz0 1
39
;
!Phi restraints: minimum deviation = 30 degrees
! 4
;
126 1 127 8 parsed_2mz0 1
40 "! 6" 130 1 130 8 parsed_2mz0 1
41
;
! 7
!assign (resid 7 and name n )(resid 7 and name ca)
! (resid 7 and name c )(resid 8 and name n ) 1.0 127.5 30.0 2
! 8
;
133 1 136 8 parsed_2mz0 1
42 "! 9" 139 1 139 8 parsed_2mz0 1
43 "! 10" 142 1 142 9 parsed_2mz0 1
44 "! 11" 145 1 145 9 parsed_2mz0 1
45 "! 15" 148 1 148 9 parsed_2mz0 1
46 "! 19" 151 1 151 9 parsed_2mz0 1
47 "! 20" 154 1 154 9 parsed_2mz0 1
48 "! 21" 157 1 157 9 parsed_2mz0 1
49 "! 22" 161 1 161 9 parsed_2mz0 1
50 "! 23" 165 1 165 9 parsed_2mz0 1
51 "! 24" 168 1 168 9 parsed_2mz0 1
52 "! 25" 171 1 171 9 parsed_2mz0 1
53 "! 26" 174 1 174 9 parsed_2mz0 1
54 "! 27" 177 1 177 9 parsed_2mz0 1
55 "! 28" 180 1 180 9 parsed_2mz0 1
56 "! 29" 183 1 183 9 parsed_2mz0 1
57 "! 30" 186 1 186 9 parsed_2mz0 1
58 "! 35" 189 1 189 9 parsed_2mz0 1
59 "! 36" 192 1 192 9 parsed_2mz0 1
60 "! 37" 195 1 195 9 parsed_2mz0 1
61 "! 38" 199 1 199 9 parsed_2mz0 1
62 "! 39" 203 1 203 9 parsed_2mz0 1
63 "! 42" 207 1 207 9 parsed_2mz0 1
64 "! 44" 210 1 210 9 parsed_2mz0 1
65 "! 43" 214 1 214 9 parsed_2mz0 1
66 "! 45" 218 1 218 9 parsed_2mz0 1
67 "! 46" 221 1 221 9 parsed_2mz0 1
68 "! 47" 224 1 224 9 parsed_2mz0 1
69 "! 48" 227 1 227 9 parsed_2mz0 1
70 "! 49" 230 1 230 9 parsed_2mz0 1
71 "! 50" 233 1 233 9 parsed_2mz0 1
72 "! 51" 236 1 236 9 parsed_2mz0 1
73 "! 53" 239 1 239 9 parsed_2mz0 1
74 "! 54" 242 1 242 9 parsed_2mz0 1
stop_
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1
;
assign (resid 1 and name c )(resid 2 and name n )
(resid 2 and name ca)(resid 2 and name c ) 6.0 0.5
!! 3
;
248 1 250 7 parsed_2mz0 1
2
;
assign (resid 2 and name c )(resid 3 and name n )
(resid 3 and name ca)(resid 3 and name c ) 7.4 0.5
!! 4
;
251 1 253 7 parsed_2mz0 1
3
;
assign (resid 3 and name c )(resid 4 and name n )
(resid 4 and name ca)(resid 4 and name c ) 6.4 0.5
!! 6
;
254 1 256 7 parsed_2mz0 1
4
;
assign (resid 5 and name c )(resid 6 and name n )
(resid 6 and name ca)(resid 6 and name c ) 6.5 0.5
!! 7
;
257 1 259 7 parsed_2mz0 1
5
;
assign (resid 6 and name c )(resid 7 and name n )
(resid 7 and name ca)(resid 7 and name c ) 7.6 0.5
!! 9
;
260 1 262 7 parsed_2mz0 1
6
;
assign (resid 8 and name c )(resid 9 and name n )
(resid 9 and name ca)(resid 9 and name c ) 9.3 0.5
!! 10
;
263 1 265 8 parsed_2mz0 1
7
;
assign (resid 9 and name c )(resid 10 and name n )
(resid 10 and name ca)(resid 10 and name c ) 6.2 0.5
!! 11
;
266 1 268 8 parsed_2mz0 1
8
;
assign (resid 10 and name c )(resid 11 and name n )
(resid 11 and name ca)(resid 11 and name c ) 8.9 0.5
!! 13
;
269 1 271 8 parsed_2mz0 1
9
;
assign (resid 12 and name c )(resid 13 and name n )
(resid 13 and name ca)(resid 13 and name c ) 6.2 0.5
!! 14
;
272 1 274 8 parsed_2mz0 1
10
;
assign (resid 13 and name c )(resid 14 and name n )
(resid 14 and name ca)(resid 14 and name c ) 6.4 0.5
!! 15
;
275 1 277 8 parsed_2mz0 1
11
;
assign (resid 14 and name c )(resid 15 and name n )
(resid 15 and name ca)(resid 15 and name c ) 8.0 0.5
!! 16
;
278 1 280 8 parsed_2mz0 1
12
;
assign (resid 15 and name c )(resid 16 and name n )
(resid 16 and name ca)(resid 16 and name c ) 6.0 0.5
!! 17
;
281 1 283 8 parsed_2mz0 1
13
;
assign (resid 16 and name c )(resid 17 and name n )
(resid 17 and name ca)(resid 17 and name c ) 9.2 0.5
!! 20
;
284 1 286 8 parsed_2mz0 1
14
;
assign (resid 19 and name c )(resid 20 and name n )
(resid 20 and name ca)(resid 20 and name c ) 4.1 0.5
!! 21
;
287 1 289 8 parsed_2mz0 1
15
;
assign (resid 20 and name c )(resid 21 and name n )
(resid 21 and name ca)(resid 21 and name c ) 6.4 0.5
!! 22
;
290 1 292 8 parsed_2mz0 1
16
;
assign (resid 21 and name c )(resid 22 and name n )
(resid 22 and name ca)(resid 22 and name c ) 3.4 0.5
!! 23
;
293 1 295 8 parsed_2mz0 1
17
;
assign (resid 22 and name c )(resid 23 and name n )
(resid 23 and name ca)(resid 23 and name c ) 3.4 0.5
!! 24
;
296 1 298 8 parsed_2mz0 1
18
;
assign (resid 23 and name c )(resid 24 and name n )
(resid 24 and name ca)(resid 24 and name c ) 3.4 0.5
!! 25
;
299 1 301 8 parsed_2mz0 1
19
;
assign (resid 24 and name c )(resid 25 and name n )
(resid 25 and name ca)(resid 25 and name c ) 3.9 0.5
!! 26
;
302 1 304 8 parsed_2mz0 1
20
;
assign (resid 25 and name c )(resid 26 and name n )
(resid 26 and name ca)(resid 26 and name c ) 4.2 0.5
!! 27
;
305 1 307 8 parsed_2mz0 1
21
;
assign (resid 26 and name c )(resid 27 and name n )
(resid 27 and name ca)(resid 27 and name c ) 4.4 0.5
!! 28
;
308 1 310 8 parsed_2mz0 1
22
;
assign (resid 27 and name c )(resid 28 and name n )
(resid 28 and name ca)(resid 28 and name c ) 5.2 0.5
!! 29
;
311 1 313 8 parsed_2mz0 1
23
;
assign (resid 28 and name c )(resid 29 and name n )
(resid 29 and name ca)(resid 29 and name c ) 8.7 0.5
!! 30
;
314 1 316 8 parsed_2mz0 1
24
;
assign (resid 29 and name c )(resid 30 and name n )
(resid 30 and name ca)(resid 30 and name c ) 7.0 0.5
!! 31
;
317 1 319 8 parsed_2mz0 1
25
;
assign (resid 30 and name c )(resid 31 and name n )
(resid 31 and name ca)(resid 31 and name c ) 8.8 0.5
!! 32
;
320 1 322 8 parsed_2mz0 1
26
;
assign (resid 31 and name c )(resid 32 and name n )
(resid 32 and name ca)(resid 32 and name c ) 6.4 0.5
!! 35
;
323 1 325 8 parsed_2mz0 1
27
;
assign (resid 34 and name c )(resid 35 and name n )
(resid 35 and name ca)(resid 35 and name c ) 7.8 0.5
!! 36
;
326 1 328 8 parsed_2mz0 1
28
;
assign (resid 35 and name c )(resid 36 and name n )
(resid 36 and name ca)(resid 36 and name c ) 7.1 0.5
!! 37
;
329 1 331 8 parsed_2mz0 1
29
;
assign (resid 36 and name c )(resid 37 and name n )
(resid 37 and name ca)(resid 37 and name c ) 9.4 0.5
!! 38
;
332 1 334 8 parsed_2mz0 1
30
;
assign (resid 37 and name c )(resid 38 and name n )
(resid 38 and name ca)(resid 38 and name c ) 8.4 0.5
!! 39
;
335 1 337 8 parsed_2mz0 1
31
;
assign (resid 38 and name c )(resid 39 and name n )
(resid 39 and name ca)(resid 39 and name c ) 8.7 0.5
!! 41
;
338 1 340 8 parsed_2mz0 1
32
;
assign (resid 40 and name c )(resid 41 and name n )
(resid 41 and name ca)(resid 41 and name c ) 7.5 0.5
!! 42
;
341 1 343 8 parsed_2mz0 1
33
;
assign (resid 41 and name c )(resid 42 and name n )
(resid 42 and name ca)(resid 42 and name c ) 6.2 0.5
!! 43
;
344 1 346 8 parsed_2mz0 1
34
;
assign (resid 42 and name c )(resid 43 and name n )
(resid 43 and name ca)(resid 43 and name c ) 7.0 0.5
!! 44
;
347 1 349 8 parsed_2mz0 1
35
;
assign (resid 43 and name c )(resid 44 and name n )
(resid 44 and name ca)(resid 44 and name c ) 6.0 0.5
!! 45
;
350 1 352 8 parsed_2mz0 1
36
;
assign (resid 44 and name c )(resid 45 and name n )
(resid 45 and name ca)(resid 45 and name c ) 8.0 0.5
!! 46
;
353 1 355 8 parsed_2mz0 1
37
;
assign (resid 45 and name c )(resid 46 and name n )
(resid 46 and name ca)(resid 46 and name c ) 9.4 0.5
!! 47
;
356 1 358 8 parsed_2mz0 1
38
;
assign (resid 46 and name c )(resid 47 and name n )
(resid 47 and name ca)(resid 47 and name c ) 7.8 0.5
!! 48
;
359 1 361 8 parsed_2mz0 1
39
;
assign (resid 47 and name c )(resid 48 and name n )
(resid 48 and name ca)(resid 48 and name c ) 9.8 0.5
!! 49
;
362 1 364 8 parsed_2mz0 1
40
;
assign (resid 48 and name c )(resid 49 and name n )
(resid 49 and name ca)(resid 49 and name c ) 7.6 0.5
!! 50
;
365 1 367 8 parsed_2mz0 1
41
;
assign (resid 49 and name c )(resid 50 and name n )
(resid 50 and name ca)(resid 50 and name c ) 8.6 0.5
!! 52
;
368 1 370 8 parsed_2mz0 1
42
;
assign (resid 51 and name c )(resid 52 and name n )
(resid 52 and name ca)(resid 52 and name c ) 4.9 0.5
!! 53
;
371 1 373 8 parsed_2mz0 1
43
;
assign (resid 52 and name c )(resid 53 and name n )
(resid 53 and name ca)(resid 53 and name c ) 6.5 0.5
!! 54
;
374 1 376 8 parsed_2mz0 1
44
;
assign (resid 53 and name c )(resid 54 and name n )
(resid 54 and name ca)(resid 54 and name c ) 7.0 0.5
!! 55
;
377 1 379 8 parsed_2mz0 1
stop_
save_
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