NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
570044 |
2mb7   |
19391 | cing | 2-parsed | STAR | dihedral angle | 120 |
data_2mb7_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2mb7
_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_2mb7 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2mb7
_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 2mb7 "Master copy" parsed_2mb7
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2mb7
_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 2mb7.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2mb7 1
1 2mb7.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 120 parsed_2mb7 1
1 2mb7.mr . . XPLOR/CNS 3 distance NOE ambi 0 parsed_2mb7 1
1 2mb7.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 0 parsed_2mb7 1
1 2mb7.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2mb7 1
1 2mb7.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2mb7 1
stop_
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2mb7
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.3 -58.7 . . 5 . c . 6 . n . 6 . ca . 6 . c parsed_2mb7 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 98.1 167.7 . . 6 . n . 6 . ca . 6 . c . 7 . n parsed_2mb7 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.2 -72.4 . . 6 . c . 7 . n . 7 . ca . 7 . c parsed_2mb7 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.6 166.0 . . 7 . n . 7 . ca . 7 . c . 8 . n parsed_2mb7 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.9 -79.1 . . 7 . c . 8 . n . 8 . ca . 8 . c parsed_2mb7 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.5 175.3 . . 8 . n . 8 . ca . 8 . c . 9 . n parsed_2mb7 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.1 -50.5 . . 8 . c . 9 . n . 9 . ca . 9 . c parsed_2mb7 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.7 169.7 . . 9 . n . 9 . ca . 9 . c . 10 . n parsed_2mb7 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.4 -60.2 . . 9 . c . 10 . n . 10 . ca . 10 . c parsed_2mb7 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.2 184.2 . . 10 . n . 10 . ca . 10 . c . 11 . n parsed_2mb7 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.9 -28.9 . . 10 . c . 11 . n . 11 . ca . 11 . c parsed_2mb7 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.6 -1.6 . . 11 . n . 11 . ca . 11 . c . 12 . n parsed_2mb7 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.4 -55.4 . . 11 . c . 12 . n . 12 . ca . 12 . c parsed_2mb7 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.8 27.8 . . 12 . n . 12 . ca . 12 . c . 13 . n parsed_2mb7 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.7 -39.7 . . 13 . c . 14 . n . 14 . ca . 14 . c parsed_2mb7 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.5 181.5 . . 14 . n . 14 . ca . 14 . c . 15 . n parsed_2mb7 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.2 -29.2 . . 14 . c . 15 . n . 15 . ca . 15 . c parsed_2mb7 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.5 165.5 . . 15 . n . 15 . ca . 15 . c . 16 . n parsed_2mb7 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 62.9 122.9 . . 15 . c . 16 . n . 16 . ca . 16 . c parsed_2mb7 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -41.7 18.3 . . 16 . n . 16 . ca . 16 . c . 17 . n parsed_2mb7 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.1 -44.1 . . 16 . c . 17 . n . 17 . ca . 17 . c parsed_2mb7 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 91.6 186.2 . . 17 . n . 17 . ca . 17 . c . 18 . n parsed_2mb7 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.4 -100.4 . . 17 . c . 18 . n . 18 . ca . 18 . c parsed_2mb7 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.7 187.7 . . 18 . n . 18 . ca . 18 . c . 19 . n parsed_2mb7 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -163.5 -103.5 . . 18 . c . 19 . n . 19 . ca . 19 . c parsed_2mb7 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.6 161.6 . . 19 . n . 19 . ca . 19 . c . 20 . n parsed_2mb7 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.6 -98.6 . . 19 . c . 20 . n . 20 . ca . 20 . c parsed_2mb7 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.4 167.4 . . 20 . n . 20 . ca . 20 . c . 21 . n parsed_2mb7 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151.1 -91.1 . . 20 . c . 21 . n . 21 . ca . 21 . c parsed_2mb7 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99.6 159.6 . . 21 . n . 21 . ca . 21 . c . 22 . n parsed_2mb7 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156.8 -96.8 . . 21 . c . 22 . n . 22 . ca . 22 . c parsed_2mb7 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.6 161.6 . . 22 . n . 22 . ca . 22 . c . 23 . n parsed_2mb7 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.6 -38.6 . . 22 . c . 23 . n . 23 . ca . 23 . c parsed_2mb7 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.1 178.1 . . 23 . n . 23 . ca . 23 . c . 24 . n parsed_2mb7 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.9 -58.5 . . 23 . c . 24 . n . 24 . ca . 24 . c parsed_2mb7 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 92.1 175.5 . . 24 . n . 24 . ca . 24 . c . 25 . n parsed_2mb7 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.1 -32.1 . . 27 . c . 28 . n . 28 . ca . 28 . c parsed_2mb7 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.8 0.2 . . 28 . n . 28 . ca . 28 . c . 29 . n parsed_2mb7 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -131.3 -71.3 . . 28 . c . 29 . n . 29 . ca . 29 . c parsed_2mb7 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -31.4 29.6 . . 29 . n . 29 . ca . 29 . c . 30 . n parsed_2mb7 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.6 -31.6 . . 29 . c . 30 . n . 30 . ca . 30 . c parsed_2mb7 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.8 169.8 . . 30 . n . 30 . ca . 30 . c . 31 . n parsed_2mb7 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 62.2 122.2 . . 30 . c . 31 . n . 31 . ca . 31 . c parsed_2mb7 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -41.4 18.6 . . 31 . n . 31 . ca . 31 . c . 32 . n parsed_2mb7 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -144.0 -53.8 . . 32 . c . 33 . n . 33 . ca . 33 . c parsed_2mb7 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.8 166.8 . . 33 . n . 33 . ca . 33 . c . 34 . n parsed_2mb7 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.2 -72.0 . . 33 . c . 34 . n . 34 . ca . 34 . c parsed_2mb7 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.9 174.9 . . 34 . n . 34 . ca . 34 . c . 35 . n parsed_2mb7 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.7 -105.7 . . 34 . c . 35 . n . 35 . ca . 35 . c parsed_2mb7 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 91.4 170.0 . . 35 . n . 35 . ca . 35 . c . 36 . n parsed_2mb7 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -161.7 -101.7 . . 35 . c . 36 . n . 36 . ca . 36 . c parsed_2mb7 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 131.6 191.6 . . 36 . n . 36 . ca . 36 . c . 37 . n parsed_2mb7 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -163.7 -103.7 . . 36 . c . 37 . n . 37 . ca . 37 . c parsed_2mb7 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.4 173.4 . . 37 . n . 37 . ca . 37 . c . 38 . n parsed_2mb7 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.9 -95.9 . . 37 . c . 38 . n . 38 . ca . 38 . c parsed_2mb7 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.5 170.5 . . 38 . n . 38 . ca . 38 . c . 39 . n parsed_2mb7 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.8 -59.6 . . 38 . c . 39 . n . 39 . ca . 39 . c parsed_2mb7 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.7 182.7 . . 39 . n . 39 . ca . 39 . c . 40 . n parsed_2mb7 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.2 120.2 . . 41 . c . 42 . n . 42 . ca . 42 . c parsed_2mb7 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -32.2 31.2 . . 42 . n . 42 . ca . 42 . c . 43 . n parsed_2mb7 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.9 -50.9 . . 42 . c . 43 . n . 43 . ca . 43 . c parsed_2mb7 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.1 175.7 . . 43 . n . 43 . ca . 43 . c . 44 . n parsed_2mb7 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.8 -49.6 . . 43 . c . 44 . n . 44 . ca . 44 . c parsed_2mb7 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.2 160.2 . . 44 . n . 44 . ca . 44 . c . 45 . n parsed_2mb7 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -137.9 -77.9 . . 44 . c . 45 . n . 45 . ca . 45 . c parsed_2mb7 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.1 181.1 . . 45 . n . 45 . ca . 45 . c . 46 . n parsed_2mb7 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.0 -31.0 . . 47 . c . 48 . n . 48 . ca . 48 . c parsed_2mb7 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.0 -13.0 . . 48 . n . 48 . ca . 48 . c . 49 . n parsed_2mb7 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 48 . c . 49 . n . 49 . ca . 49 . c parsed_2mb7 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.0 -5.0 . . 49 . n . 49 . ca . 49 . c . 50 . n parsed_2mb7 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.0 -37.0 . . 49 . c . 50 . n . 50 . ca . 50 . c parsed_2mb7 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.0 -9.0 . . 50 . n . 50 . ca . 50 . c . 51 . n parsed_2mb7 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.0 -34.0 . . 50 . c . 51 . n . 51 . ca . 51 . c parsed_2mb7 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.0 -13.0 . . 51 . n . 51 . ca . 51 . c . 52 . n parsed_2mb7 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.0 -29.0 . . 51 . c . 52 . n . 52 . ca . 52 . c parsed_2mb7 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.0 -13.0 . . 52 . n . 52 . ca . 52 . c . 53 . n parsed_2mb7 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.0 -36.0 . . 52 . c . 53 . n . 53 . ca . 53 . c parsed_2mb7 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.0 -12.0 . . 53 . n . 53 . ca . 53 . c . 54 . n parsed_2mb7 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.0 -37.0 . . 53 . c . 54 . n . 54 . ca . 54 . c parsed_2mb7 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 54 . n . 54 . ca . 54 . c . 55 . n parsed_2mb7 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -112.0 -52.0 . . 54 . c . 55 . n . 55 . ca . 55 . c parsed_2mb7 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.0 11.0 . . 55 . n . 55 . ca . 55 . c . 56 . n parsed_2mb7 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -118.8 -58.8 . . 57 . c . 58 . n . 58 . ca . 58 . c parsed_2mb7 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.6 13.2 . . 58 . n . 58 . ca . 58 . c . 59 . n parsed_2mb7 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -193.5 -104.9 . . 58 . c . 59 . n . 59 . ca . 59 . c parsed_2mb7 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.4 185.0 . . 59 . n . 59 . ca . 59 . c . 60 . n parsed_2mb7 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.3 -73.3 . . 59 . c . 60 . n . 60 . ca . 60 . c parsed_2mb7 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 92.0 152.0 . . 60 . n . 60 . ca . 60 . c . 61 . n parsed_2mb7 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.6 -28.6 . . 61 . c . 62 . n . 62 . ca . 62 . c parsed_2mb7 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.8 0.2 . . 62 . n . 62 . ca . 62 . c . 63 . n parsed_2mb7 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -129.7 -69.7 . . 62 . c . 63 . n . 63 . ca . 63 . c parsed_2mb7 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -23.7 50.9 . . 63 . n . 63 . ca . 63 . c . 64 . n parsed_2mb7 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151.7 -88.5 . . 63 . c . 64 . n . 64 . ca . 64 . c parsed_2mb7 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99.6 159.6 . . 64 . n . 64 . ca . 64 . c . 65 . n parsed_2mb7 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -119.4 -59.4 . . 64 . c . 65 . n . 65 . ca . 65 . c parsed_2mb7 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 73.4 141.2 . . 65 . n . 65 . ca . 65 . c . 66 . n parsed_2mb7 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.9 -28.9 . . 65 . c . 66 . n . 66 . ca . 66 . c parsed_2mb7 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.0 -1.0 . . 66 . n . 66 . ca . 66 . c . 67 . n parsed_2mb7 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.2 -45.2 . . 66 . c . 67 . n . 67 . ca . 67 . c parsed_2mb7 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.2 8.4 . . 67 . n . 67 . ca . 67 . c . 68 . n parsed_2mb7 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -137.7 -77.7 . . 67 . c . 68 . n . 68 . ca . 68 . c parsed_2mb7 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.9 17.1 . . 68 . n . 68 . ca . 68 . c . 69 . n parsed_2mb7 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 42.6 102.6 . . 68 . c . 69 . n . 69 . ca . 69 . c parsed_2mb7 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -8.8 62.4 . . 69 . n . 69 . ca . 69 . c . 70 . n parsed_2mb7 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.5 -57.1 . . 69 . c . 70 . n . 70 . ca . 70 . c parsed_2mb7 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.2 181.2 . . 70 . n . 70 . ca . 70 . c . 71 . n parsed_2mb7 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.1 -32.1 . . 70 . c . 71 . n . 71 . ca . 71 . c parsed_2mb7 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 81.5 177.5 . . 71 . n . 71 . ca . 71 . c . 72 . n parsed_2mb7 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 22 . n . 22 . ca . 22 . cb . 22 . cg1 parsed_2mb7 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 32 . n . 32 . ca . 32 . cb . 32 . cg parsed_2mb7 1
111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 35 . n . 35 . ca . 35 . cb . 35 . cg1 parsed_2mb7 1
112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 90.0 . . 36 . n . 36 . ca . 36 . cb . 36 . cg parsed_2mb7 1
113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 37 . n . 37 . ca . 37 . cb . 37 . cg parsed_2mb7 1
114 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 38 . n . 38 . ca . 38 . cb . 38 . cg parsed_2mb7 1
115 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 45 . n . 45 . ca . 45 . cb . 45 . cg parsed_2mb7 1
116 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 54 . n . 54 . ca . 54 . cb . 54 . cg parsed_2mb7 1
117 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 63 . n . 63 . ca . 63 . cb . 63 . og1 parsed_2mb7 1
118 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 64 . n . 64 . ca . 64 . cb . 64 . cg parsed_2mb7 1
119 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 66 . n . 66 . ca . 66 . cb . 66 . cg parsed_2mb7 1
120 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 68 . n . 68 . ca . 68 . cb . 68 . og1 parsed_2mb7 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
;
talos_pred2xplor.nawk Table ! Date: Fri Apr 26 13:41:39 EDT 2013
Path: /Users/dcwilljr/StructureCalc/MBD3/TALOS+
S2 Dihedrals
M3 Dihedrals
assign (resid 2 and name c) (resid 3 and name n)
(resid 3 and name ca) (resid 3 and name c) 1.0 -102.7 30.0 2 ! M3 Talos Phi
assign (resid 3 and name n) (resid 3 and name ca)
(resid 3 and name c) (resid 4 and name n) 1.0 -1.9 37.8 2 ! M3 Talos Psi
E4 Dihedrals
assign (resid 3 and name c) (resid 4 and name n)
(resid 4 and name ca) (resid 4 and name c) 1.0 -84.5 60.2 2 ! E4 Talos Phi
assign (resid 4 and name n) (resid 4 and name ca)
(resid 4 and name c) (resid 5 and name n) 1.0 128.9 37.9 2 ! E4 Talos Psi
R5 Dihedrals
assign (resid 4 and name c) (resid 5 and name n)
(resid 5 and name ca) (resid 5 and name c) 1.0 -90.3 63.2 2 ! R5 Talos Phi
assign (resid 5 and name n) (resid 5 and name ca)
(resid 5 and name c) (resid 6 and name n) 1.0 136.2 43.8 2 ! R5 Talos Psi
K6 Dihedrals
;
1 1 25 15 parsed_2mb7 1
2 "K6 Talos Phi" 27 80 27 94 parsed_2mb7 1
3
;
K6 Talos Psi
R7 Dihedrals
;
29 79 31 15 parsed_2mb7 1
4 "R7 Talos Phi" 33 80 33 94 parsed_2mb7 1
5
;
R7 Talos Psi
W8 Dihedrals
;
35 79 37 15 parsed_2mb7 1
6 "W8 Talos Phi" 39 80 39 94 parsed_2mb7 1
7
;
W8 Talos Psi
E9 Dihedrals
;
41 79 43 15 parsed_2mb7 1
8 "E9 Talos Phi" 45 80 45 94 parsed_2mb7 1
9
;
E9 Talos Psi
C10 Dihedrals
;
47 79 49 16 parsed_2mb7 1
10 "C10 Talos Phi" 51 80 51 95 parsed_2mb7 1
11
;
C10 Talos Psi
P11 Dihedrals
;
53 79 55 16 parsed_2mb7 1
12 "P11 Talos Phi" 57 80 57 95 parsed_2mb7 1
13
;
P11 Talos Psi
A12 Dihedrals
;
59 79 61 16 parsed_2mb7 1
14 "A12 Talos Phi" 63 80 63 95 parsed_2mb7 1
15
;
A12 Talos Psi
L13 Dihedrals
assign (resid 12 and name c) (resid 13 and name n)
(resid 13 and name ca) (resid 13 and name c) 1.0 -108.9 53.7 2 ! L13 Talos Phi
assign (resid 13 and name n) (resid 13 and name ca)
(resid 13 and name c) (resid 14 and name n) 1.0 115.2 35.7 2 ! L13 Talos Psi
P14 Dihedrals
;
65 79 73 16 parsed_2mb7 1
16 "P14 Talos Phi" 75 80 75 95 parsed_2mb7 1
17
;
P14 Talos Psi
Q15 Dihedrals
;
77 79 79 16 parsed_2mb7 1
18 "Q15 Talos Phi" 81 80 81 95 parsed_2mb7 1
19
;
Q15 Talos Psi
G16 Dihedrals
;
83 79 85 16 parsed_2mb7 1
20 "G16 Talos Phi" 87 80 87 95 parsed_2mb7 1
21
;
G16 Talos Psi
W17 Dihedrals
;
89 79 91 16 parsed_2mb7 1
22 "W17 Talos Phi" 93 80 93 95 parsed_2mb7 1
23
;
W17 Talos Psi
E18 Dihedrals
;
95 79 97 16 parsed_2mb7 1
24 "E18 Talos Phi" 99 80 99 95 parsed_2mb7 1
25
;
E18 Talos Psi
R19 Dihedrals
;
101 79 103 16 parsed_2mb7 1
26 "R19 Talos Phi" 105 80 105 95 parsed_2mb7 1
27
;
R19 Talos Psi
E20 Dihedrals
;
107 79 109 16 parsed_2mb7 1
28 "E20 Talos Phi" 111 80 111 95 parsed_2mb7 1
29
;
E20 Talos Psi
E21 Dihedrals
;
113 79 115 16 parsed_2mb7 1
30 "E21 Talos Phi" 117 80 117 95 parsed_2mb7 1
31
;
E21 Talos Psi
V22 Dihedrals
;
119 79 121 16 parsed_2mb7 1
32 "V22 Talos Phi" 123 80 123 95 parsed_2mb7 1
33
;
V22 Talos Psi
P23 Dihedrals
;
125 79 127 16 parsed_2mb7 1
34 "P23 Talos Phi" 129 80 129 95 parsed_2mb7 1
35
;
P23 Talos Psi
R24 Dihedrals
;
131 79 133 16 parsed_2mb7 1
36 "R24 Talos Phi" 135 80 135 95 parsed_2mb7 1
37
;
R24 Talos Psi
R25 Dihedrals
assign (resid 24 and name c) (resid 25 and name n)
(resid 25 and name ca) (resid 25 and name c) 1.0 -107.6 30.0 2 ! R25 Talos Phi
assign (resid 25 and name n) (resid 25 and name ca)
(resid 25 and name c) (resid 26 and name n) 1.0 -24.5 36.0 2 ! R25 Talos Psi
S26 Dihedrals
assign (resid 25 and name c) (resid 26 and name n)
(resid 26 and name ca) (resid 26 and name c) 1.0 -108.7 45.0 2 ! S26 Talos Phi
assign (resid 26 and name n) (resid 26 and name ca)
(resid 26 and name c) (resid 27 and name n) 1.0 147.7 32.0 2 ! S26 Talos Psi
G27 Dihedrals
assign (resid 26 and name c) (resid 27 and name n)
(resid 27 and name ca) (resid 27 and name c) 1.0 -88.1 42.9 2 ! G27 Talos Phi
assign (resid 27 and name n) (resid 27 and name ca)
(resid 27 and name c) (resid 28 and name n) 1.0 158.9 30.0 2 ! G27 Talos Psi
L28 Dihedrals
;
137 79 157 16 parsed_2mb7 1
38 "L28 Talos Phi" 159 80 159 95 parsed_2mb7 1
39
;
L28 Talos Psi
S29 Dihedrals
;
161 79 163 16 parsed_2mb7 1
40 "S29 Talos Phi" 165 80 165 95 parsed_2mb7 1
41
;
S29 Talos Psi
A30 Dihedrals
;
167 79 169 16 parsed_2mb7 1
42 "A30 Talos Phi" 171 80 171 95 parsed_2mb7 1
43
;
A30 Talos Psi
G31 Dihedrals
;
173 79 175 16 parsed_2mb7 1
44 "G31 Talos Phi" 177 80 177 95 parsed_2mb7 1
45
;
G31 Talos Psi
H32 Dihedrals
assign (resid 31 and name c) (resid 32 and name n)
(resid 32 and name ca) (resid 32 and name c) 1.0 -74.1 53.4 2 ! H32 Talos Phi
assign (resid 32 and name n) (resid 32 and name ca)
(resid 32 and name c) (resid 33 and name n) 1.0 137.6 39.7 2 ! H32 Talos Psi
R33 Dihedrals
;
179 79 187 16 parsed_2mb7 1
46 "R33 Talos Phi" 189 80 189 95 parsed_2mb7 1
47
;
R33 Talos Psi
D34 Dihedrals
;
191 79 193 16 parsed_2mb7 1
48 "D34 Talos Phi" 195 80 195 95 parsed_2mb7 1
49
;
D34 Talos Psi
V35 Dihedrals
;
197 79 199 16 parsed_2mb7 1
50 "V35 Talos Phi" 201 80 201 95 parsed_2mb7 1
51
;
V35 Talos Psi
F36 Dihedrals
;
203 79 205 16 parsed_2mb7 1
52 "F36 Talos Phi" 207 80 207 95 parsed_2mb7 1
53
;
F36 Talos Psi
Y37 Dihedrals
;
209 79 211 16 parsed_2mb7 1
54 "Y37 Talos Phi" 213 80 213 95 parsed_2mb7 1
55
;
Y37 Talos Psi
Y38 Dihedrals
;
215 79 217 16 parsed_2mb7 1
56 "Y38 Talos Phi" 219 80 219 95 parsed_2mb7 1
57
;
Y38 Talos Psi
S39 Dihedrals
;
221 79 223 16 parsed_2mb7 1
58 "S39 Talos Phi" 225 80 225 95 parsed_2mb7 1
59
;
S39 Talos Psi
P40 Dihedrals
assign (resid 39 and name c) (resid 40 and name n)
(resid 40 and name ca) (resid 40 and name c) 1.0 -67.0 30.0 2 ! P40 Talos Phi
assign (resid 40 and name n) (resid 40 and name ca)
(resid 40 and name c) (resid 41 and name n) 1.0 149.4 30.0 2 ! P40 Talos Psi
S41 Dihedrals
assign (resid 40 and name c) (resid 41 and name n)
(resid 41 and name ca) (resid 41 and name c) 1.0 -86.7 36.2 2 ! S41 Talos Phi
assign (resid 41 and name n) (resid 41 and name ca)
(resid 41 and name c) (resid 42 and name n) 1.0 -5.7 30.0 2 ! S41 Talos Psi
G42 Dihedrals
;
227 79 241 16 parsed_2mb7 1
60 "G42 Talos Phi" 243 80 243 95 parsed_2mb7 1
61
;
G42 Talos Psi
K43 Dihedrals
;
245 79 247 16 parsed_2mb7 1
62 "K43 Talos Phi" 249 80 249 95 parsed_2mb7 1
63
;
K43 Talos Psi
K44 Dihedrals
;
251 79 253 16 parsed_2mb7 1
64 "K44 Talos Phi" 255 80 255 95 parsed_2mb7 1
65
;
K44 Talos Psi
F45 Dihedrals
;
257 79 259 16 parsed_2mb7 1
66 "F45 Talos Phi" 261 80 261 95 parsed_2mb7 1
67
;
F45 Talos Psi
R46 Dihedrals
assign (resid 45 and name c) (resid 46 and name n)
(resid 46 and name ca) (resid 46 and name c) 1.0 -139.0 30.0 2 ! R46 Talos Phi
assign (resid 46 and name n) (resid 46 and name ca)
(resid 46 and name c) (resid 47 and name n) 1.0 150.0 30.0 2 ! R46 Talos Psi
S47 Dihedrals
assign (resid 46 and name c) (resid 47 and name n)
(resid 47 and name ca) (resid 47 and name c) 1.0 -100.0 35.0 2 ! S47 Talos Phi
assign (resid 47 and name n) (resid 47 and name ca)
(resid 47 and name c) (resid 48 and name n) 1.0 167.0 30.0 2 ! S47 Talos Psi
K48 Dihedrals
;
263 79 277 16 parsed_2mb7 1
68 "K48 Talos Phi" 279 80 279 95 parsed_2mb7 1
69
;
K48 Talos Psi
P49 Dihedrals
;
281 79 283 16 parsed_2mb7 1
70 "P49 Talos Phi" 285 80 285 95 parsed_2mb7 1
71
;
P49 Talos Psi
Q50 Dihedrals
;
287 79 289 16 parsed_2mb7 1
72 "Q50 Talos Phi" 291 80 291 95 parsed_2mb7 1
73
;
Q50 Talos Psi
L51 Dihedrals
;
293 79 295 16 parsed_2mb7 1
74 "L51 Talos Phi" 297 80 297 95 parsed_2mb7 1
75
;
L51 Talos Psi
A52 Dihedrals
;
299 79 301 16 parsed_2mb7 1
76 "A52 Talos Phi" 303 80 303 95 parsed_2mb7 1
77
;
A52 Talos Psi
R53 Dihedrals
;
305 79 307 16 parsed_2mb7 1
78 "R53 Talos Phi" 309 80 309 95 parsed_2mb7 1
79
;
R53 Talos Psi
Y54 Dihedrals
;
311 79 313 16 parsed_2mb7 1
80 "Y54 Talos Phi" 315 80 315 95 parsed_2mb7 1
81
;
Y54 Talos Psi
L55 Dihedrals
;
317 79 319 16 parsed_2mb7 1
82 "L55 Talos Phi" 321 80 321 95 parsed_2mb7 1
83
;
L55 Talos Psi
G56 Dihedrals
assign (resid 55 and name c) (resid 56 and name n)
(resid 56 and name ca) (resid 56 and name c) 1.0 -64.6 47.2 2 ! G56 Talos Phi
assign (resid 56 and name n) (resid 56 and name ca)
(resid 56 and name c) (resid 57 and name n) 1.0 -27.6 32.4 2 ! G56 Talos Psi
G57 Dihedrals
assign (resid 56 and name c) (resid 57 and name n)
(resid 57 and name ca) (resid 57 and name c) 1.0 80.8 30.0 2 ! G57 Talos Phi
assign (resid 57 and name n) (resid 57 and name ca)
(resid 57 and name c) (resid 58 and name n) 1.0 19.8 30.0 2 ! G57 Talos Psi
S58 Dihedrals
;
323 79 337 16 parsed_2mb7 1
84 "S58 Talos Phi" 339 80 339 95 parsed_2mb7 1
85
;
S58 Talos Psi
M59 Dihedrals
;
341 79 343 16 parsed_2mb7 1
86 "M59 Talos Phi" 345 80 345 95 parsed_2mb7 1
87
;
M59 Talos Psi
D60 Dihedrals
;
347 79 349 16 parsed_2mb7 1
88 "D60 Talos Phi" 351 80 351 95 parsed_2mb7 1
89
;
D60 Talos Psi
L61 Dihedrals
assign (resid 60 and name c) (resid 61 and name n)
(resid 61 and name ca) (resid 61 and name c) 1.0 -89.3 33.9 2 ! L61 Talos Phi
assign (resid 61 and name n) (resid 61 and name ca)
(resid 61 and name c) (resid 62 and name n) 1.0 139.8 50.2 2 ! L61 Talos Psi
S62 Dihedrals
;
353 79 361 16 parsed_2mb7 1
90 "S62 Talos Phi" 363 80 363 95 parsed_2mb7 1
91
;
S62 Talos Psi
T63 Dihedrals
;
365 79 367 16 parsed_2mb7 1
92 "T63 Talos Phi" 369 80 369 95 parsed_2mb7 1
93
;
T63 Talos Psi
F64 Dihedrals
;
371 79 373 16 parsed_2mb7 1
94 "F64 Talos Phi" 375 80 375 95 parsed_2mb7 1
95
;
F64 Talos Psi
D65 Dihedrals
;
377 79 379 16 parsed_2mb7 1
96 "D65 Talos Phi" 381 80 381 95 parsed_2mb7 1
97
;
D65 Talos Psi
F66 Dihedrals
;
383 79 385 16 parsed_2mb7 1
98 "F66 Talos Phi" 387 80 387 95 parsed_2mb7 1
99
;
F66 Talos Psi
R67 Dihedrals
;
389 79 391 16 parsed_2mb7 1
100 "R67 Talos Phi" 393 80 393 95 parsed_2mb7 1
101
;
R67 Talos Psi
T68 Dihedrals
;
395 79 397 16 parsed_2mb7 1
102 "T68 Talos Phi" 399 80 399 95 parsed_2mb7 1
103
;
T68 Talos Psi
G69 Dihedrals
;
401 79 403 16 parsed_2mb7 1
104 "G69 Talos Phi" 405 80 405 95 parsed_2mb7 1
105
;
G69 Talos Psi
K70 Dihedrals
;
407 79 409 16 parsed_2mb7 1
106 "K70 Talos Phi" 411 80 411 95 parsed_2mb7 1
107
;
K70 Talos Psi
M71 Dihedrals
;
413 79 415 16 parsed_2mb7 1
108 "M71 Talos Phi" 417 80 417 95 parsed_2mb7 1
109
;
M71 Talos Psi
L72 Dihedrals
G1 Dihedrals
Xplor Dihed Table from make_chi_xplr.nawk
USER dcwilljr
DATE Fri Mar 22 14:03:07 EDT 2013
PATH /Users/dcwilljr/StructureCalc/MBD3/CONSTRAINTS/DIHED
S2 Chi-1
assign (resid 2 and name n ) (resid 2 and name ca )
(resid 2 and name cb ) (resid 2 and name og ) 1.0 0.0 20.0 2
M3 Chi-1
assign (resid 3 and name n ) (resid 3 and name ca )
(resid 3 and name cb ) (resid 3 and name cg ) 1.0 0.0 20.0 2
E4 Chi-1
assign (resid 4 and name n ) (resid 4 and name ca )
(resid 4 and name cb ) (resid 4 and name cg ) 1.0 0.0 20.0 2
R5 Chi-1
assign (resid 5 and name n ) (resid 5 and name ca )
(resid 5 and name cb ) (resid 5 and name cg ) 1.0 0.0 20.0 2
R5 Chi-2
assign (resid 5 and name ca ) (resid 5 and name cb )
(resid 5 and name cg ) (resid 5 and name cd ) 1.0 0.0 30.0 2
K6 Chi-1
assign (resid 6 and name n ) (resid 6 and name ca )
(resid 6 and name cb ) (resid 6 and name cg ) 1.0 0.0 20.0 2
K6 Chi-2
assign (resid 6 and name ca ) (resid 6 and name cb )
(resid 6 and name cg ) (resid 6 and name cd ) 1.0 0.0 30.0 2
R7 Chi-1
assign (resid 7 and name n ) (resid 7 and name ca )
(resid 7 and name cb ) (resid 7 and name cg ) 1.0 0.0 20.0 2
R7 Chi-2
assign (resid 7 and name ca ) (resid 7 and name cb )
(resid 7 and name cg ) (resid 7 and name cd ) 1.0 0.0 30.0 2
W8 Chi-1
assign (resid 8 and name n ) (resid 8 and name ca )
(resid 8 and name cb ) (resid 8 and name cg ) 1.0 0.0 20.0 2
E9 Chi-1
assign (resid 9 and name n ) (resid 9 and name ca )
(resid 9 and name cb ) (resid 9 and name cg ) 1.0 0.0 20.0 2
C10 Chi-1
assign (resid 10 and name n ) (resid 10 and name ca )
(resid 10 and name cb ) (resid 10 and name sg ) 1.0 0.0 20.0 2
P11 Chi-1
assign (resid 11 and name n ) (resid 11 and name ca )
(resid 11 and name cb ) (resid 11 and name cg ) 1.0 0.0 20.0 2
L13 Chi-1
assign (resid 13 and name n ) (resid 13 and name ca )
(resid 13 and name cb ) (resid 13 and name cg ) 1.0 0.0 20.0 2
L13 Chi-2
assign (resid 13 and name ca ) (resid 13 and name cb )
(resid 13 and name cg ) (resid 13 and name cd1) 1.0 0.0 30.0 2
P14 Chi-1
assign (resid 14 and name n ) (resid 14 and name ca )
(resid 14 and name cb ) (resid 14 and name cg ) 1.0 0.0 20.0 2
Q15 Chi-1
assign (resid 15 and name n ) (resid 15 and name ca )
(resid 15 and name cb ) (resid 15 and name cg ) 1.0 0.0 20.0 2
W17 Chi-1
assign (resid 17 and name n ) (resid 17 and name ca )
(resid 17 and name cb ) (resid 17 and name cg ) 1.0 0.0 20.0 2
E18 Chi-1
assign (resid 18 and name n ) (resid 18 and name ca )
(resid 18 and name cb ) (resid 18 and name cg ) 1.0 0.0 20.0 2
R19 Chi-1
assign (resid 19 and name n ) (resid 19 and name ca )
(resid 19 and name cb ) (resid 19 and name cg ) 1.0 0.0 20.0 2
R19 Chi-2
assign (resid 19 and name ca ) (resid 19 and name cb )
(resid 19 and name cg ) (resid 19 and name cd ) 1.0 0.0 30.0 2
E20 Chi-1
assign (resid 20 and name n ) (resid 20 and name ca )
(resid 20 and name cb ) (resid 20 and name cg ) 1.0 0.0 20.0 2
E21 Chi-1
assign (resid 21 and name n ) (resid 21 and name ca )
(resid 21 and name cb ) (resid 21 and name cg ) 1.0 0.0 20.0 2
V22 Chi-1
;
419 79 520 12 parsed_2mb7 1
110
;
P23 Chi-1
assign (resid 23 and name n ) (resid 23 and name ca )
(resid 23 and name cb ) (resid 23 and name cg ) 1.0 0.0 20.0 2
R24 Chi-1
assign (resid 24 and name n ) (resid 24 and name ca )
(resid 24 and name cb ) (resid 24 and name cg ) 1.0 0.0 20.0 2
R24 Chi-2
assign (resid 24 and name ca ) (resid 24 and name cb )
(resid 24 and name cg ) (resid 24 and name cd ) 1.0 0.0 30.0 2
R25 Chi-1
assign (resid 25 and name n ) (resid 25 and name ca )
(resid 25 and name cb ) (resid 25 and name cg ) 1.0 0.0 20.0 2
R25 Chi-2
assign (resid 25 and name ca ) (resid 25 and name cb )
(resid 25 and name cg ) (resid 25 and name cd ) 1.0 0.0 30.0 2
S26 Chi-1
assign (resid 26 and name n ) (resid 26 and name ca )
(resid 26 and name cb ) (resid 26 and name og ) 1.0 0.0 20.0 2
L28 Chi-1
assign (resid 28 and name n ) (resid 28 and name ca )
(resid 28 and name cb ) (resid 28 and name cg ) 1.0 0.0 20.0 2
L28 Chi-2
assign (resid 28 and name ca ) (resid 28 and name cb )
(resid 28 and name cg ) (resid 28 and name cd1) 1.0 0.0 30.0 2
S29 Chi-1
assign (resid 29 and name n ) (resid 29 and name ca )
(resid 29 and name cb ) (resid 29 and name og ) 1.0 0.0 20.0 2
H32 Chi-1
;
524 1 560 12 parsed_2mb7 1
111
;
R33 Chi-1
assign (resid 33 and name n ) (resid 33 and name ca )
(resid 33 and name cb ) (resid 33 and name cg ) 1.0 0.0 20.0 2
R33 Chi-2
assign (resid 33 and name ca ) (resid 33 and name cb )
(resid 33 and name cg ) (resid 33 and name cd ) 1.0 0.0 30.0 2
D34 Chi-1
assign (resid 34 and name n ) (resid 34 and name ca )
(resid 34 and name cb ) (resid 34 and name cg ) 1.0 0.0 20.0 2
V35 Chi-1
;
564 1 575 12 parsed_2mb7 1
112 "F36 Chi-1" 579 1 579 12 parsed_2mb7 1
113
;
F36 Chi-2
assign (resid 36 and name ca ) (resid 36 and name cb )
(resid 36 and name cg ) (resid 36 and name cd1) 1.0 0.0 30.0 2
Y37 Chi-1
;
582 1 586 12 parsed_2mb7 1
114
;
Y37 Chi-2
assign (resid 37 and name ca ) (resid 37 and name cb )
(resid 37 and name cg ) (resid 37 and name cd1) 1.0 0.0 30.0 2
Y38 Chi-1
;
589 1 593 12 parsed_2mb7 1
115
;
Y38 Chi-2
assign (resid 38 and name ca ) (resid 38 and name cb )
(resid 38 and name cg ) (resid 38 and name cd1) 1.0 0.0 30.0 2
S39 Chi-1
assign (resid 39 and name n ) (resid 39 and name ca )
(resid 39 and name cb ) (resid 39 and name og ) 1.0 0.0 20.0 2
P40 Chi-1
assign (resid 40 and name n ) (resid 40 and name ca )
(resid 40 and name cb ) (resid 40 and name cg ) 1.0 0.0 20.0 2
S41 Chi-1
assign (resid 41 and name n ) (resid 41 and name ca )
(resid 41 and name cb ) (resid 41 and name og ) 1.0 0.0 20.0 2
K43 Chi-1
assign (resid 43 and name n ) (resid 43 and name ca )
(resid 43 and name cb ) (resid 43 and name cg ) 1.0 0.0 20.0 2
K43 Chi-2
assign (resid 43 and name ca ) (resid 43 and name cb )
(resid 43 and name cg ) (resid 43 and name cd ) 1.0 0.0 30.0 2
K44 Chi-1
assign (resid 44 and name n ) (resid 44 and name ca )
(resid 44 and name cb ) (resid 44 and name cg ) 1.0 0.0 20.0 2
K44 Chi-2
assign (resid 44 and name ca ) (resid 44 and name cb )
(resid 44 and name cg ) (resid 44 and name cd ) 1.0 0.0 30.0 2
F45 Chi-1
;
596 1 627 12 parsed_2mb7 1
116
;
F45 Chi-2
assign (resid 45 and name ca ) (resid 45 and name cb )
(resid 45 and name cg ) (resid 45 and name cd1) 1.0 0.0 30.0 2
R46 Chi-1
assign (resid 46 and name n ) (resid 46 and name ca )
(resid 46 and name cb ) (resid 46 and name cg ) 1.0 0.0 20.0 2
R46 Chi-2
assign (resid 46 and name ca ) (resid 46 and name cb )
(resid 46 and name cg ) (resid 46 and name cd ) 1.0 0.0 30.0 2
S47 Chi-1
assign (resid 47 and name n ) (resid 47 and name ca )
(resid 47 and name cb ) (resid 47 and name og ) 1.0 0.0 20.0 2
K48 Chi-1
assign (resid 48 and name n ) (resid 48 and name ca )
(resid 48 and name cb ) (resid 48 and name cg ) 1.0 0.0 20.0 2
K48 Chi-2
assign (resid 48 and name ca ) (resid 48 and name cb )
(resid 48 and name cg ) (resid 48 and name cd ) 1.0 0.0 30.0 2
P49 Chi-1
assign (resid 49 and name n ) (resid 49 and name ca )
(resid 49 and name cb ) (resid 49 and name cg ) 1.0 0.0 20.0 2
Q50 Chi-1
assign (resid 50 and name n ) (resid 50 and name ca )
(resid 50 and name cb ) (resid 50 and name cg ) 1.0 0.0 20.0 2
L51 Chi-1
assign (resid 51 and name n ) (resid 51 and name ca )
(resid 51 and name cb ) (resid 51 and name cg ) 1.0 0.0 20.0 2
L51 Chi-2
assign (resid 51 and name ca ) (resid 51 and name cb )
(resid 51 and name cg ) (resid 51 and name cd1) 1.0 0.0 30.0 2
R53 Chi-1
assign (resid 53 and name n ) (resid 53 and name ca )
(resid 53 and name cb ) (resid 53 and name cg ) 1.0 0.0 20.0 2
R53 Chi-2
assign (resid 53 and name ca ) (resid 53 and name cb )
(resid 53 and name cg ) (resid 53 and name cd ) 1.0 0.0 30.0 2
Y54 Chi-1
;
630 1 675 12 parsed_2mb7 1
117
;
Y54 Chi-2
assign (resid 54 and name ca ) (resid 54 and name cb )
(resid 54 and name cg ) (resid 54 and name cd1) 1.0 0.0 30.0 2
L55 Chi-1
assign (resid 55 and name n ) (resid 55 and name ca )
(resid 55 and name cb ) (resid 55 and name cg ) 1.0 0.0 20.0 2
L55 Chi-2
assign (resid 55 and name ca ) (resid 55 and name cb )
(resid 55 and name cg ) (resid 55 and name cd1) 1.0 0.0 30.0 2
S58 Chi-1
assign (resid 58 and name n ) (resid 58 and name ca )
(resid 58 and name cb ) (resid 58 and name og ) 1.0 0.0 20.0 2
M59 Chi-1
assign (resid 59 and name n ) (resid 59 and name ca )
(resid 59 and name cb ) (resid 59 and name cg ) 1.0 0.0 20.0 2
D60 Chi-1
assign (resid 60 and name n ) (resid 60 and name ca )
(resid 60 and name cb ) (resid 60 and name cg ) 1.0 0.0 20.0 2
L61 Chi-1
assign (resid 61 and name n ) (resid 61 and name ca )
(resid 61 and name cb ) (resid 61 and name cg ) 1.0 0.0 20.0 2
L61 Chi-2
assign (resid 61 and name ca ) (resid 61 and name cb )
(resid 61 and name cg ) (resid 61 and name cd1) 1.0 0.0 30.0 2
S62 Chi-1
assign (resid 62 and name n ) (resid 62 and name ca )
(resid 62 and name cb ) (resid 62 and name og ) 1.0 0.0 20.0 2
T63 Chi-1
;
678 1 714 12 parsed_2mb7 1
118 "F64 Chi-1" 718 1 718 12 parsed_2mb7 1
119
;
F64 Chi-2
assign (resid 64 and name ca ) (resid 64 and name cb )
(resid 64 and name cg ) (resid 64 and name cd1) 1.0 0.0 30.0 2
D65 Chi-1
assign (resid 65 and name n ) (resid 65 and name ca )
(resid 65 and name cb ) (resid 65 and name cg ) 1.0 0.0 20.0 2
F66 Chi-1
;
721 1 729 12 parsed_2mb7 1
120
;
F66 Chi-2
assign (resid 66 and name ca ) (resid 66 and name cb )
(resid 66 and name cg ) (resid 66 and name cd1) 1.0 0.0 30.0 2
R67 Chi-1
assign (resid 67 and name n ) (resid 67 and name ca )
(resid 67 and name cb ) (resid 67 and name cg ) 1.0 0.0 20.0 2
R67 Chi-2
assign (resid 67 and name ca ) (resid 67 and name cb )
(resid 67 and name cg ) (resid 67 and name cd ) 1.0 0.0 30.0 2
T68 Chi-1
;
732 1 743 12 parsed_2mb7 1
121
;
K70 Chi-1
assign (resid 70 and name n ) (resid 70 and name ca )
(resid 70 and name cb ) (resid 70 and name cg ) 1.0 0.0 20.0 2
K70 Chi-2
assign (resid 70 and name ca ) (resid 70 and name cb )
(resid 70 and name cg ) (resid 70 and name cd ) 1.0 0.0 30.0 2
M71 Chi-1
assign (resid 71 and name n ) (resid 71 and name ca )
(resid 71 and name cb ) (resid 71 and name cg ) 1.0 0.0 20.0 2
L72 Chi-1
assign (resid 72 and name n ) (resid 72 and name ca )
(resid 72 and name cb ) (resid 72 and name cg ) 1.0 0.0 20.0 2
L72 Chi-2
assign (resid 72 and name ca ) (resid 72 and name cb )
(resid 72 and name cg ) (resid 72 and name cd1) 1.0 0.0 30.0 2
;
748 1 764 79 parsed_2mb7 1
stop_
save_
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