NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
604648 |
2n56   |
26593 | cing | 2-parsed | STAR | dihedral angle | 144 |
data_2n56_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2n56
_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_2n56 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2n56
_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 2n56 "Master copy" parsed_2n56
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2n56
_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 2n56.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2n56 1
1 2n56.mr . . XPLOR/CNS 2 distance NOE simple 995 parsed_2n56 1
1 2n56.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 144 parsed_2n56 1
1 2n56.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2n56 1
1 2n56.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2n56 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2n56
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 3
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.30 -40.30 . ig59 1 . c ig59 2 . n ig59 2 . ca ig59 2 . c parsed_2n56 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.300 -60.300 . ig59 3 . c ig59 4 . n ig59 4 . ca ig59 4 . c parsed_2n56 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.30 -40.30 . ig59 4 . c ig59 5 . n ig59 5 . ca ig59 5 . c parsed_2n56 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.30 -39.30 . ig59 5 . c ig59 6 . n ig59 6 . ca ig59 6 . c parsed_2n56 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.000 -99.000 . ig59 6 . c ig59 7 . n ig59 7 . ca ig59 7 . c parsed_2n56 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -157.831 -77.831 . ig59 8 . c ig59 9 . n ig59 9 . ca ig59 9 . c parsed_2n56 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -143.41 -93.41 . ig59 9 . c ig59 10 . n ig59 10 . ca ig59 10 . c parsed_2n56 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.298 -100.298 . ig59 11 . c ig59 12 . n ig59 12 . ca ig59 12 . c parsed_2n56 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.787 -73.787 . ig59 12 . c ig59 13 . n ig59 13 . ca ig59 13 . c parsed_2n56 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -174.967 -94.967 . ig59 13 . c ig59 14 . n ig59 14 . ca ig59 14 . c parsed_2n56 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.529 -27.529 . ig59 15 . c ig59 16 . n ig59 16 . ca ig59 16 . c parsed_2n56 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.792 -81.792 . ig59 18 . c ig59 19 . n ig59 19 . ca ig59 19 . c parsed_2n56 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.176 -92.176 . ig59 19 . c ig59 20 . n ig59 20 . ca ig59 20 . c parsed_2n56 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -161.14 -81.14 . ig59 20 . c ig59 21 . n ig59 21 . ca ig59 21 . c parsed_2n56 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.965 -80.965 . ig59 21 . c ig59 22 . n ig59 22 . ca ig59 22 . c parsed_2n56 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159.163 -79.163 . ig59 22 . c ig59 23 . n ig59 23 . ca ig59 23 . c parsed_2n56 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.713 -100.713 . ig59 23 . c ig59 24 . n ig59 24 . ca ig59 24 . c parsed_2n56 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.414 -55.414 . ig59 24 . c ig59 25 . n ig59 25 . ca ig59 25 . c parsed_2n56 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.116 -73.116 . ig59 25 . c ig59 26 . n ig59 26 . ca ig59 26 . c parsed_2n56 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.415 -55.415 . ig59 26 . c ig59 27 . n ig59 27 . ca ig59 27 . c parsed_2n56 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -147.029 -87.029 . ig59 27 . c ig59 28 . n ig59 28 . ca ig59 28 . c parsed_2n56 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.127 -75.127 . ig59 29 . c ig59 30 . n ig59 30 . ca ig59 30 . c parsed_2n56 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.693 -31.693 . ig59 30 . c ig59 31 . n ig59 31 . ca ig59 31 . c parsed_2n56 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159.651 -99.651 . ig59 31 . c ig59 32 . n ig59 32 . ca ig59 32 . c parsed_2n56 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156.383 -76.383 . ig59 34 . c ig59 35 . n ig59 35 . ca ig59 35 . c parsed_2n56 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151.792 -71.792 . ig59 36 . c ig59 37 . n ig59 37 . ca ig59 37 . c parsed_2n56 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -176.432 -96.432 . ig59 37 . c ig59 38 . n ig59 38 . ca ig59 38 . c parsed_2n56 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.447 -68.447 . ig59 38 . c ig59 39 . n ig59 39 . ca ig59 39 . c parsed_2n56 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.248 -18.248 . ig59 39 . c ig59 40 . n ig59 40 . ca ig59 40 . c parsed_2n56 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109.179 -49.179 . ig59 43 . c ig59 44 . n ig59 44 . ca ig59 44 . c parsed_2n56 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -127.823 -67.823 . ig59 44 . c ig59 45 . n ig59 45 . ca ig59 45 . c parsed_2n56 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.204 -26.204 . ig59 45 . c ig59 46 . n ig59 46 . ca ig59 46 . c parsed_2n56 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -116.275 -56.275 . ig59 46 . c ig59 47 . n ig59 47 . ca ig59 47 . c parsed_2n56 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.327 -34.327 . ig59 48 . c ig59 49 . n ig59 49 . ca ig59 49 . c parsed_2n56 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -122.642 -62.642 . ig59 49 . c ig59 50 . n ig59 50 . ca ig59 50 . c parsed_2n56 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -143.882 -83.882 . ig59 50 . c ig59 51 . n ig59 51 . ca ig59 51 . c parsed_2n56 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.209 -66.209 . ig59 51 . c ig59 52 . n ig59 52 . ca ig59 52 . c parsed_2n56 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.620 -78.620 . ig59 52 . c ig59 53 . n ig59 53 . ca ig59 53 . c parsed_2n56 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.895 -78.895 . ig59 53 . c ig59 54 . n ig59 54 . ca ig59 54 . c parsed_2n56 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.179 -80.179 . ig59 54 . c ig59 55 . n ig59 55 . ca ig59 55 . c parsed_2n56 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.705 -66.705 . ig59 55 . c ig59 56 . n ig59 56 . ca ig59 56 . c parsed_2n56 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -147.871 -87.871 . ig59 57 . c ig59 58 . n ig59 58 . ca ig59 58 . c parsed_2n56 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.438 -75.438 . ig59 58 . c ig59 59 . n ig59 59 . ca ig59 59 . c parsed_2n56 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.720 -80.720 . ig59 59 . c ig59 60 . n ig59 60 . ca ig59 60 . c parsed_2n56 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.10 -90.10 . ig59 59 . c ig59 60 . n ig59 60 . ca ig59 60 . c parsed_2n56 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.034 -69.034 . ig59 61 . c ig59 62 . n ig59 62 . ca ig59 62 . c parsed_2n56 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -142.381 -62.381 . ig59 62 . c ig59 63 . n ig59 63 . ca ig59 63 . c parsed_2n56 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.638 -66.638 . ig59 63 . c ig59 64 . n ig59 64 . ca ig59 64 . c parsed_2n56 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -117.952 -57.952 . ig59 64 . c ig59 65 . n ig59 65 . ca ig59 65 . c parsed_2n56 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.088 -24.088 . ig59 65 . c ig59 66 . n ig59 66 . ca ig59 66 . c parsed_2n56 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -123.935 -63.935 . ig59 66 . c ig59 67 . n ig59 67 . ca ig59 67 . c parsed_2n56 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.334 -75.334 . ig59 67 . c ig59 68 . n ig59 68 . ca ig59 68 . c parsed_2n56 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.540 -34.540 . ig59 68 . c ig59 69 . n ig59 69 . ca ig59 69 . c parsed_2n56 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -200.00 -140.00 . ig59 69 . c ig59 70 . n ig59 70 . ca ig59 70 . c parsed_2n56 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -118.036 -58.036 . ig59 70 . c ig59 71 . n ig59 71 . ca ig59 71 . c parsed_2n56 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.528 -65.528 . ig59 73 . c ig59 74 . n ig59 74 . ca ig59 74 . c parsed_2n56 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.624 -72.624 . ig59 74 . c ig59 75 . n ig59 75 . ca ig59 75 . c parsed_2n56 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.682 -75.682 . ig59 75 . c ig59 76 . n ig59 76 . ca ig59 76 . c parsed_2n56 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.236 -69.236 . ig59 76 . c ig59 77 . n ig59 77 . ca ig59 77 . c parsed_2n56 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.348 -84.348 . ig59 77 . c ig59 78 . n ig59 78 . ca ig59 78 . c parsed_2n56 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -157.664 -77.664 . ig59 78 . c ig59 79 . n ig59 79 . ca ig59 79 . c parsed_2n56 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -107.839 -47.839 . ig59 79 . c ig59 80 . n ig59 80 . ca ig59 80 . c parsed_2n56 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159.765 -79.765 . ig59 82 . c ig59 83 . n ig59 83 . ca ig59 83 . c parsed_2n56 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -181.564 -101.564 . ig59 83 . c ig59 84 . n ig59 84 . ca ig59 84 . c parsed_2n56 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.501 -92.501 . ig59 84 . c ig59 85 . n ig59 85 . ca ig59 85 . c parsed_2n56 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -183.319 -103.319 . ig59 85 . c ig59 86 . n ig59 86 . ca ig59 86 . c parsed_2n56 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -163.791 -83.791 . ig59 86 . c ig59 87 . n ig59 87 . ca ig59 87 . c parsed_2n56 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -142.453 -62.453 . ig59 87 . c ig59 88 . n ig59 88 . ca ig59 88 . c parsed_2n56 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -162.267 -82.267 . ig59 88 . c ig59 89 . n ig59 89 . ca ig59 89 . c parsed_2n56 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.560 -72.560 . ig59 89 . c ig59 90 . n ig59 90 . ca ig59 90 . c parsed_2n56 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -137.024 -57.024 . ig59 90 . c ig59 91 . n ig59 91 . ca ig59 91 . c parsed_2n56 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -116.641 -56.641 . ig59 92 . c ig59 93 . n ig59 93 . ca ig59 93 . c parsed_2n56 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.70 -46.70 . ig59 94 . c ig59 95 . n ig59 95 . ca ig59 95 . c parsed_2n56 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.70 -50.70 . ig59 96 . c ig59 97 . n ig59 97 . ca ig59 97 . c parsed_2n56 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.70 -68.70 . ig59 97 . c ig59 98 . n ig59 98 . ca ig59 98 . c parsed_2n56 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.564 120.564 . ig59 5 . n ig59 5 . ca ig59 5 . c ig59 6 . n parsed_2n56 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.519 -9.519 . ig59 6 . n ig59 6 . ca ig59 6 . c ig59 7 . n parsed_2n56 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.057 170.057 . ig59 7 . n ig59 7 . ca ig59 7 . c ig59 8 . n parsed_2n56 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.220 188.220 . ig59 9 . n ig59 9 . ca ig59 9 . c ig59 10 . n parsed_2n56 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 137.570 197.570 . ig59 10 . n ig59 10 . ca ig59 10 . c ig59 11 . n parsed_2n56 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 47.70 107.70 . ig59 11 . n ig59 11 . ca ig59 11 . c ig59 12 . n parsed_2n56 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99.753 179.753 . ig59 12 . n ig59 12 . ca ig59 12 . c ig59 13 . n parsed_2n56 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123.787 203.787 . ig59 13 . n ig59 13 . ca ig59 13 . c ig59 14 . n parsed_2n56 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 84.967 164.967 . ig59 14 . n ig59 14 . ca ig59 14 . c ig59 15 . n parsed_2n56 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.541 160.541 . ig59 16 . n ig59 16 . ca ig59 16 . c ig59 17 . n parsed_2n56 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.181 181.181 . ig59 19 . n ig59 19 . ca ig59 19 . c ig59 20 . n parsed_2n56 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.566 185.566 . ig59 20 . n ig59 20 . ca ig59 20 . c ig59 21 . n parsed_2n56 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 88.315 168.315 . ig59 21 . n ig59 21 . ca ig59 21 . c ig59 22 . n parsed_2n56 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.419 182.419 . ig59 22 . n ig59 22 . ca ig59 22 . c ig59 23 . n parsed_2n56 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.051 195.051 . ig59 23 . n ig59 23 . ca ig59 23 . c ig59 24 . n parsed_2n56 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 87.536 167.536 . ig59 24 . n ig59 24 . ca ig59 24 . c ig59 25 . n parsed_2n56 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 84.883 164.883 . ig59 25 . n ig59 25 . ca ig59 25 . c ig59 26 . n parsed_2n56 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 137.769 197.769 . ig59 26 . n ig59 26 . ca ig59 26 . c ig59 27 . n parsed_2n56 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.261 10.739 . ig59 27 . n ig59 27 . ca ig59 27 . c ig59 28 . n parsed_2n56 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.746 185.746 . ig59 28 . n ig59 28 . ca ig59 28 . c ig59 29 . n parsed_2n56 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 86.479 146.479 . ig59 30 . n ig59 30 . ca ig59 30 . c ig59 31 . n parsed_2n56 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -200.00 -140.00 . ig59 31 . n ig59 31 . ca ig59 31 . c ig59 32 . n parsed_2n56 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.795 161.795 . ig59 32 . n ig59 32 . ca ig59 32 . c ig59 33 . n parsed_2n56 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 88.191 168.191 . ig59 35 . n ig59 35 . ca ig59 35 . c ig59 36 . n parsed_2n56 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96.073 176.073 . ig59 37 . n ig59 37 . ca ig59 37 . c ig59 38 . n parsed_2n56 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123.022 203.022 . ig59 38 . n ig59 38 . ca ig59 38 . c ig59 39 . n parsed_2n56 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 92.460 172.460 . ig59 39 . n ig59 39 . ca ig59 39 . c ig59 40 . n parsed_2n56 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 93.826 173.826 . ig59 40 . n ig59 40 . ca ig59 40 . c ig59 41 . n parsed_2n56 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99.421 159.421 . ig59 44 . n ig59 44 . ca ig59 44 . c ig59 45 . n parsed_2n56 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.491 163.491 . ig59 45 . n ig59 45 . ca ig59 45 . c ig59 46 . n parsed_2n56 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.669 -2.669 . ig59 45 . n ig59 46 . ca ig59 46 . c ig59 46 . n parsed_2n56 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -31.948 28.052 . ig59 47 . n ig59 47 . ca ig59 47 . c ig59 48 . n parsed_2n56 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.907 -2.907 . ig59 49 . n ig59 49 . ca ig59 49 . c ig59 50 . n parsed_2n56 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.285 19.715 . ig59 50 . n ig59 50 . ca ig59 50 . c ig59 51 . n parsed_2n56 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.114 172.114 . ig59 51 . n ig59 51 . ca ig59 51 . c ig59 52 . n parsed_2n56 1
111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 82.704 162.704 . ig59 52 . n ig59 52 . ca ig59 52 . c ig59 53 . n parsed_2n56 1
112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 87.289 167.289 . ig59 53 . n ig59 53 . ca ig59 53 . c ig59 54 . n parsed_2n56 1
113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99.713 179.713 . ig59 54 . n ig59 54 . ca ig59 54 . c ig59 55 . n parsed_2n56 1
114 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96.915 176.915 . ig59 55 . n ig59 55 . ca ig59 55 . c ig59 56 . n parsed_2n56 1
115 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 78.249 158.249 . ig59 56 . n ig59 56 . ca ig59 56 . c ig59 57 . n parsed_2n56 1
116 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4.970 64.970 . ig59 58 . n ig59 58 . ca ig59 58 . c ig59 59 . n parsed_2n56 1
117 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 80.293 160.293 . ig59 59 . n ig59 59 . ca ig59 59 . c ig59 60 . n parsed_2n56 1
118 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104.742 184.742 . ig59 60 . n ig59 60 . ca ig59 60 . c ig59 61 . n parsed_2n56 1
119 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.534 180.534 . ig59 60 . n ig59 60 . ca ig59 60 . c ig59 61 . n parsed_2n56 1
120 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 81.051 161.051 . ig59 62 . n ig59 62 . ca ig59 62 . c ig59 63 . n parsed_2n56 1
121 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.617 189.617 . ig59 63 . n ig59 63 . ca ig59 63 . c ig59 64 . n parsed_2n56 1
122 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 77.495 157.495 . ig59 64 . n ig59 64 . ca ig59 64 . c ig59 65 . n parsed_2n56 1
123 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.978 149.978 . ig59 66 . n ig59 66 . ca ig59 66 . c ig59 67 . n parsed_2n56 1
124 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 91.925 151.925 . ig59 67 . n ig59 67 . ca ig59 67 . c ig59 68 . n parsed_2n56 1
125 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 86.016 146.016 . ig59 68 . n ig59 68 . ca ig59 68 . c ig59 69 . n parsed_2n56 1
126 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 83.617 143.617 . ig59 69 . n ig59 69 . ca ig59 69 . c ig59 70 . n parsed_2n56 1
127 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.585 2.415 . ig59 71 . n ig59 71 . ca ig59 71 . c ig59 72 . n parsed_2n56 1
128 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 87.611 167.611 . ig59 74 . n ig59 74 . ca ig59 74 . c ig59 75 . n parsed_2n56 1
129 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 85.344 165.344 . ig59 75 . n ig59 75 . ca ig59 75 . c ig59 76 . n parsed_2n56 1
130 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 88.960 168.960 . ig59 76 . n ig59 76 . ca ig59 76 . c ig59 77 . n parsed_2n56 1
131 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 85.912 165.912 . ig59 77 . n ig59 77 . ca ig59 77 . c ig59 78 . n parsed_2n56 1
132 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 91.992 171.992 . ig59 78 . n ig59 78 . ca ig59 78 . c ig59 79 . n parsed_2n56 1
133 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -211.449 -131.449 . ig59 79 . n ig59 79 . ca ig59 79 . c ig59 80 . n parsed_2n56 1
134 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 79.245 139.245 . ig59 80 . n ig59 80 . ca ig59 80 . c ig59 81 . n parsed_2n56 1
135 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.772 170.772 . ig59 83 . n ig59 83 . ca ig59 83 . c ig59 84 . n parsed_2n56 1
136 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.114 196.114 . ig59 84 . n ig59 84 . ca ig59 84 . c ig59 85 . n parsed_2n56 1
137 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.751 186.751 . ig59 85 . n ig59 85 . ca ig59 85 . c ig59 86 . n parsed_2n56 1
138 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.420 196.420 . ig59 86 . n ig59 86 . ca ig59 86 . c ig59 87 . n parsed_2n56 1
139 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 93.730 173.730 . ig59 87 . n ig59 87 . ca ig59 87 . c ig59 88 . n parsed_2n56 1
140 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 78.150 158.150 . ig59 88 . n ig59 88 . ca ig59 88 . c ig59 89 . n parsed_2n56 1
141 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.648 170.648 . ig59 89 . n ig59 89 . ca ig59 89 . c ig59 90 . n parsed_2n56 1
142 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 81.698 161.698 . ig59 90 . n ig59 90 . ca ig59 90 . c ig59 91 . n parsed_2n56 1
143 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.245 175.245 . ig59 91 . n ig59 91 . ca ig59 91 . c ig59 92 . n parsed_2n56 1
144 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.220 170.220 . ig59 93 . n ig59 93 . ca ig59 93 . c ig59 94 . n parsed_2n56 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 "T2 phi" 1 1 1 9 parsed_2n56 1
2 "E4 phi" 7 1 7 9 parsed_2n56 1
3 "I5 phi" 14 1 14 9 parsed_2n56 1
4 "l6 phi" 20 1 20 12 parsed_2n56 1
5 "e7 phi" 26 1 26 20 parsed_2n56 1
6 "L9 phi" 33 1 33 21 parsed_2n56 1
7 "K10 phi" 40 1 40 10 parsed_2n56 1
8
;
11 phi
assign (segid="ig59" and resid 10 and name c)
(segid="ig59" and resid 11 and name n)
(segid="ig59" and resid 11 and name ca)
(segid="ig59" and resid 11 and name c) 1 -61.0 30.00 2
A12 phi
;
46 1 52 10 parsed_2n56 1
9 "A13 phi" 59 1 59 10 parsed_2n56 1
10 "V14 phi" 65 1 65 9 parsed_2n56 1
11 "A16 phi" 72 1 72 10 parsed_2n56 1
12
;
G17 phi
assign (segid="ig59" and resid 16 and name c)
(segid="ig59" and resid 17 and name n)
(segid="ig59" and resid 17 and name ca)
(segid="ig59" and resid 17 and name c) 1 92.627 30.00 2
Q19 phi
;
78 1 85 10 parsed_2n56 1
13 "A20 phi" 92 1 92 10 parsed_2n56 1
14 "C21 phi" 98 1 98 10 parsed_2n56 1
15 "F22 phi" 104 1 104 10 parsed_2n56 1
16 "T23 phi" 110 1 110 10 parsed_2n56 1
17 "C24 phi" 116 1 116 10 parsed_2n56 1
18 "T25 phi" 122 1 122 10 parsed_2n56 1
19 "L26 phi" 128 1 128 10 parsed_2n56 1
20 "S27 phi" 134 1 134 10 parsed_2n56 1
21 "E28 phi" 140 1 140 10 parsed_2n56 1
22 "V30 phi" 146 1 146 10 parsed_2n56 1
23 "P31 phi" 152 1 152 10 parsed_2n56 1
24 "V32 phi" 158 1 158 10 parsed_2n56 1
25 "A35 phi" 164 1 164 10 parsed_2n56 1
26 "W37 phi" 170 1 170 10 parsed_2n56 1
27 "Y38 phi" 176 1 176 10 parsed_2n56 1
28 "I39 phi" 182 1 182 10 parsed_2n56 1
29 "N40 phi" 188 1 188 10 parsed_2n56 1
30
;
G41 phi
assign (segid="ig59" and resid 40 and name c)
(segid="ig59" and resid 41 and name n)
(segid="ig59" and resid 41 and name ca)
(segid="ig59" and resid 41 and name c) 1 89.327 40.00 2
V44 phi
;
194 1 200 10 parsed_2n56 1
31 "Q45 phi" 206 1 206 10 parsed_2n56 1
32 "P46 phi" 212 1 212 10 parsed_2n56 1
33 "D47 phi" 218 1 218 10 parsed_2n56 1
34 "S49 phi" 224 1 224 10 parsed_2n56 1
35 "D50 phi" 230 1 230 10 parsed_2n56 1
36 "W51 phi" 236 1 236 10 parsed_2n56 1
37 "T52 phi" 242 1 242 10 parsed_2n56 1
38 "V53 phi" 248 1 248 10 parsed_2n56 1
39 "T54 phi" 254 1 254 10 parsed_2n56 1
40 "A55 phi" 260 1 260 10 parsed_2n56 1
41 "D56 phi" 266 1 266 10 parsed_2n56 1
42 "S58 phi" 272 1 272 10 parsed_2n56 1
43 "H59 phi" 278 1 278 10 parsed_2n56 1
44 "H60 phi" 284 1 284 10 parsed_2n56 1
45 "A61 phi" 290 1 290 10 parsed_2n56 1
46 "L62 phi" 296 1 296 10 parsed_2n56 1
47 "L63 phi" 302 1 302 10 parsed_2n56 1
48 "L64 phi" 308 1 308 10 parsed_2n56 1
49 "R65 phi" 314 1 314 10 parsed_2n56 1
50 "S66 phi" 320 1 320 10 parsed_2n56 1
51 "A67 phi" 326 1 326 10 parsed_2n56 1
52 "Q68 phi" 332 1 332 10 parsed_2n56 1
53 "P69 phi" 338 1 338 10 parsed_2n56 1
54 "H70 phi" 344 1 344 10 parsed_2n56 1
55 "H71 phi" 350 1 350 10 parsed_2n56 1
56 "E74 phi" 356 1 356 10 parsed_2n56 1
57 "V75 phi" 362 1 362 10 parsed_2n56 1
58 "T76 phi" 368 1 368 10 parsed_2n56 1
59 "F77 phi" 374 1 374 10 parsed_2n56 1
60 "A78 phi" 380 1 380 10 parsed_2n56 1
61 "C79 phi" 386 1 386 10 parsed_2n56 1
62 "R80 phi" 392 1 392 10 parsed_2n56 1
63 "V83 phi" 398 1 398 10 parsed_2n56 1
64 "A84 phi" 404 1 404 10 parsed_2n56 1
65 "S85 phi" 410 1 410 10 parsed_2n56 1
66 "A86 phi" 416 1 416 10 parsed_2n56 1
67 "R87 phi" 422 1 422 10 parsed_2n56 1
68 "L88 phi" 428 1 428 10 parsed_2n56 1
69 "T89 phi" 434 1 434 10 parsed_2n56 1
70 "V90 phi" 440 1 440 10 parsed_2n56 1
71 "L91 phi" 446 1 446 10 parsed_2n56 1
72 "L93 phi" 452 1 452 10 parsed_2n56 1
73 "L95 phi" 458 1 458 10 parsed_2n56 1
74 "L97 phi" 464 1 464 10 parsed_2n56 1
75 "98 phi" 470 1 470 9 parsed_2n56 1
76
;
____________________ psi angles __________________
I5 psi
;
475 1 477 9 parsed_2n56 1
77 "l6 psi" 483 1 483 12 parsed_2n56 1
78 "e7 psi" 489 1 489 20 parsed_2n56 1
79 "L9 psi" 496 1 496 21 parsed_2n56 1
80 "K10 psi" 503 1 503 10 parsed_2n56 1
81 "D11 psi" 509 1 509 10 parsed_2n56 1
82 "A12 psi" 516 1 516 10 parsed_2n56 1
83 "A13 psi" 523 1 523 10 parsed_2n56 1
84 "V14 psi" 529 1 529 9 parsed_2n56 1
85 "A16 psi" 536 1 536 10 parsed_2n56 1
86 "Q19 psi" 543 1 543 10 parsed_2n56 1
87 "A20 psi" 550 1 550 10 parsed_2n56 1
88 "C21 psi" 556 1 556 10 parsed_2n56 1
89 "F22 psi" 562 1 562 10 parsed_2n56 1
90 "T23 psi" 568 1 568 10 parsed_2n56 1
91 "C24 psi" 574 1 574 10 parsed_2n56 1
92 "T25 psi" 580 1 580 10 parsed_2n56 1
93 "L26 psi" 586 1 586 10 parsed_2n56 1
94 "S27 psi" 592 1 592 10 parsed_2n56 1
95 "E28 psi" 598 1 598 10 parsed_2n56 1
96 "V30 psi" 604 1 604 10 parsed_2n56 1
97 "P31 psi" 610 1 610 10 parsed_2n56 1
98 "V32 psi" 616 1 616 10 parsed_2n56 1
99 "A35 psi" 622 1 622 10 parsed_2n56 1
100 "W37 psi" 628 1 628 10 parsed_2n56 1
101 "Y38 psi" 634 1 634 10 parsed_2n56 1
102 "I39 psi" 640 1 640 10 parsed_2n56 1
103 "N40 psi" 646 1 646 10 parsed_2n56 1
104 "V44 psi" 653 1 653 10 parsed_2n56 1
105 "Q45 psi" 659 1 659 10 parsed_2n56 1
106 "P46 phi" 665 1 665 10 parsed_2n56 1
107 "D47 psi" 671 1 671 10 parsed_2n56 1
108 "S49 psi" 677 1 677 10 parsed_2n56 1
109 "D50 psi" 683 1 683 10 parsed_2n56 1
110 "W51 psi" 689 1 689 10 parsed_2n56 1
111 "T52 psi" 695 1 695 10 parsed_2n56 1
112 "V53 psi" 701 1 701 10 parsed_2n56 1
113 "T54 psi" 707 1 707 10 parsed_2n56 1
114 "A55 psi" 713 1 713 10 parsed_2n56 1
115 "D56 psi" 719 1 719 10 parsed_2n56 1
116 "S58 psi" 725 1 725 10 parsed_2n56 1
117 "H59 psi" 731 1 731 10 parsed_2n56 1
118 "H60 psi" 737 1 737 10 parsed_2n56 1
119 "A61 psi" 743 1 743 10 parsed_2n56 1
120 "L62 psi" 749 1 749 10 parsed_2n56 1
121 "L63 psi" 755 1 755 10 parsed_2n56 1
122 "L64 psi" 761 1 761 10 parsed_2n56 1
123
;
R65 psi
assign (segid="ig59" and resid 65 and name n)
(segid="ig59" and resid 65 and name ca)
(segid="ig59" and resid 65 and name c)
(segid="ig59" and resid 66 and name n) 1 -168.874 30.00 2
S66 psi
;
767 1 773 10 parsed_2n56 1
124 "A67 psi" 779 1 779 10 parsed_2n56 1
125 "Q68 psi" 785 1 785 10 parsed_2n56 1
126 "F69 psi" 791 1 791 10 parsed_2n56 1
127 "H71 psi" 797 1 797 10 parsed_2n56 1
128 "E74 psi" 803 1 803 10 parsed_2n56 1
129 "V75 psi" 809 1 809 10 parsed_2n56 1
130 "T76 psi" 815 1 815 10 parsed_2n56 1
131 "F77 psi" 821 1 821 10 parsed_2n56 1
132 "A78 psi" 827 1 827 10 parsed_2n56 1
133 "C79 psi" 833 1 833 10 parsed_2n56 1
134 "R80 psi" 839 1 839 10 parsed_2n56 1
135 "V83 psi" 845 1 845 10 parsed_2n56 1
136 "A84 psi" 851 1 851 10 parsed_2n56 1
137 "S85 psi" 857 1 857 10 parsed_2n56 1
138 "A86 psi" 863 1 863 10 parsed_2n56 1
139 "R87 psi" 869 1 869 10 parsed_2n56 1
140 "L88 psi" 875 1 875 10 parsed_2n56 1
141 "T89 psi" 881 1 881 10 parsed_2n56 1
142 "V90 psi" 887 1 887 10 parsed_2n56 1
143 "L91 psi" 893 1 893 10 parsed_2n56 1
144 "L93 psi" 899 1 899 10 parsed_2n56 1
stop_
save_
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