NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
548462 |
2lr2   |
18126 | cing | 2-parsed | STAR | dihedral angle | 114 |
data_2lr2_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2lr2
_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_2lr2 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2lr2
_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 2lr2 "Master copy" parsed_2lr2
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2lr2
_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 2lr2.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2lr2 1
1 2lr2.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 114 parsed_2lr2 1
1 2lr2.mr . . XPLOR/CNS 3 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2lr2 1
1 2lr2.mr . . XPLOR/CNS 4 unknown "Not applicable" "Not applicable" 0 parsed_2lr2 1
1 2lr2.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2lr2 1
1 2lr2.mr . . XPLOR/CNS 6 unknown "Not applicable" "Not applicable" 0 parsed_2lr2 1
1 2lr2.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2lr2 1
stop_
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2lr2
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -200.00 -160.00 . . 50 . N . 50 . CA . 20 . CB . 20 . CG parsed_2lr2 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.00 -100.00 . . 66 . C . 67 . N . 67 . CA . 67 . C parsed_2lr2 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.47 -52.97 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_2lr2 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.93 -57.01 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_2lr2 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.71 -59.21 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_2lr2 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.98 -56.44 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_2lr2 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.44 -56.00 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_2lr2 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.64 -57.20 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_2lr2 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.05 -53.57 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_2lr2 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.36 -53.00 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_2lr2 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.25 -55.51 . . 27 . C . 28 . N . 28 . CA . 28 . C parsed_2lr2 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.69 -53.91 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_2lr2 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.11 -45.99 . . 29 . C . 30 . N . 30 . CA . 30 . C parsed_2lr2 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -107.48 -78.00 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_2lr2 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -124.82 -29.58 . . 31 . C . 32 . N . 32 . CA . 32 . C parsed_2lr2 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.10 -47.38 . . 32 . C . 33 . N . 33 . CA . 33 . C parsed_2lr2 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156.74 -18.98 . . 34 . C . 35 . N . 35 . CA . 35 . C parsed_2lr2 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.57 -32.95 . . 35 . C . 36 . N . 36 . CA . 36 . C parsed_2lr2 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.86 -52.42 . . 36 . C . 37 . N . 37 . CA . 37 . C parsed_2lr2 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.53 -52.79 . . 37 . C . 38 . N . 38 . CA . 38 . C parsed_2lr2 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.54 -55.48 . . 38 . C . 39 . N . 39 . CA . 39 . C parsed_2lr2 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.67 -53.03 . . 39 . C . 40 . N . 40 . CA . 40 . C parsed_2lr2 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.07 -53.41 . . 40 . C . 41 . N . 41 . CA . 41 . C parsed_2lr2 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.66 -56.30 . . 41 . C . 42 . N . 42 . CA . 42 . C parsed_2lr2 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.95 -54.51 . . 42 . C . 43 . N . 43 . CA . 43 . C parsed_2lr2 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.05 -54.75 . . 43 . C . 44 . N . 44 . CA . 44 . C parsed_2lr2 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.09 -50.97 . . 44 . C . 45 . N . 45 . CA . 45 . C parsed_2lr2 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.50 -55.00 . . 45 . C . 46 . N . 46 . CA . 46 . C parsed_2lr2 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.04 -53.98 . . 46 . C . 47 . N . 47 . CA . 47 . C parsed_2lr2 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.81 -50.71 . . 47 . C . 48 . N . 48 . CA . 48 . C parsed_2lr2 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.23 -48.19 . . 48 . C . 49 . N . 49 . CA . 49 . C parsed_2lr2 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -103.47 -52.75 . . 53 . C . 54 . N . 54 . CA . 54 . C parsed_2lr2 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.43 -35.67 . . 54 . C . 55 . N . 55 . CA . 55 . C parsed_2lr2 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109.47 -82.93 . . 55 . C . 56 . N . 56 . CA . 56 . C parsed_2lr2 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 32.77 76.13 . . 56 . C . 57 . N . 57 . CA . 57 . C parsed_2lr2 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -121.95 -75.47 . . 57 . C . 58 . N . 58 . CA . 58 . C parsed_2lr2 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136.24 -65.82 . . 60 . C . 61 . N . 61 . CA . 61 . C parsed_2lr2 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.85 -53.43 . . 63 . C . 64 . N . 64 . CA . 64 . C parsed_2lr2 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -111.23 -43.19 . . 64 . C . 65 . N . 65 . CA . 65 . C parsed_2lr2 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -123.23 -47.49 . . 65 . C . 66 . N . 66 . CA . 66 . C parsed_2lr2 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -117.37 -24.85 . . 69 . C . 70 . N . 70 . CA . 70 . C parsed_2lr2 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.34 -55.94 . . 70 . C . 71 . N . 71 . CA . 71 . C parsed_2lr2 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.54 -53.64 . . 71 . C . 72 . N . 72 . CA . 72 . C parsed_2lr2 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.67 -58.35 . . 72 . C . 73 . N . 73 . CA . 73 . C parsed_2lr2 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.92 -57.56 . . 73 . C . 74 . N . 74 . CA . 74 . C parsed_2lr2 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.15 -50.03 . . 74 . C . 75 . N . 75 . CA . 75 . C parsed_2lr2 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.52 -50.54 . . 75 . C . 76 . N . 76 . CA . 76 . C parsed_2lr2 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.34 -51.58 . . 76 . C . 77 . N . 77 . CA . 77 . C parsed_2lr2 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.17 -53.11 . . 77 . C . 78 . N . 78 . CA . 78 . C parsed_2lr2 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.13 -57.57 . . 78 . C . 79 . N . 79 . CA . 79 . C parsed_2lr2 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.01 -55.07 . . 79 . C . 80 . N . 80 . CA . 80 . C parsed_2lr2 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.01 -55.25 . . 80 . C . 81 . N . 81 . CA . 81 . C parsed_2lr2 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.34 -50.82 . . 81 . C . 82 . N . 82 . CA . 82 . C parsed_2lr2 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.22 -52.70 . . 82 . C . 83 . N . 83 . CA . 83 . C parsed_2lr2 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.10 -50.70 . . 83 . C . 84 . N . 84 . CA . 84 . C parsed_2lr2 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -112.05 -79.11 . . 84 . C . 85 . N . 85 . CA . 85 . C parsed_2lr2 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -123.11 -25.67 . . 85 . C . 86 . N . 86 . CA . 86 . C parsed_2lr2 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.88 -48.24 . . 86 . C . 87 . N . 87 . CA . 87 . C parsed_2lr2 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.65 -14.07 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_2lr2 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.99 -27.39 . . 21 . N . 21 . CA . 21 . C . 22 . N parsed_2lr2 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.07 -29.83 . . 22 . N . 22 . CA . 22 . C . 23 . N parsed_2lr2 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.79 -33.03 . . 23 . N . 23 . CA . 23 . C . 24 . N parsed_2lr2 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.29 -30.75 . . 24 . N . 24 . CA . 24 . C . 25 . N parsed_2lr2 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.78 -21.58 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_2lr2 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.68 -40.56 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_2lr2 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.70 -29.48 . . 27 . N . 27 . CA . 27 . C . 28 . N parsed_2lr2 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.39 -28.99 . . 28 . N . 28 . CA . 28 . C . 29 . N parsed_2lr2 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.73 -30.49 . . 29 . N . 29 . CA . 29 . C . 30 . N parsed_2lr2 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.49 -0.47 . . 30 . N . 30 . CA . 30 . C . 31 . N parsed_2lr2 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.68 23.14 . . 31 . N . 31 . CA . 31 . C . 32 . N parsed_2lr2 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 68.55 186.77 . . 32 . N . 32 . CA . 32 . C . 33 . N parsed_2lr2 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 128.20 179.52 . . 33 . N . 33 . CA . 33 . C . 34 . N parsed_2lr2 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.58 181.78 . . 35 . N . 35 . CA . 35 . C . 36 . N parsed_2lr2 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 131.52 194.30 . . 36 . N . 36 . CA . 36 . C . 37 . N parsed_2lr2 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.56 -19.32 . . 37 . N . 37 . CA . 37 . C . 38 . N parsed_2lr2 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.00 -29.78 . . 38 . N . 38 . CA . 38 . C . 39 . N parsed_2lr2 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.19 -24.95 . . 39 . N . 39 . CA . 39 . C . 40 . N parsed_2lr2 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.13 -31.99 . . 40 . N . 40 . CA . 40 . C . 41 . N parsed_2lr2 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.90 -36.04 . . 41 . N . 41 . CA . 41 . C . 42 . N parsed_2lr2 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.04 -27.60 . . 42 . N . 42 . CA . 42 . C . 43 . N parsed_2lr2 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.49 -33.31 . . 43 . N . 43 . CA . 43 . C . 44 . N parsed_2lr2 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.01 -35.13 . . 44 . N . 44 . CA . 44 . C . 45 . N parsed_2lr2 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44.08 -24.36 . . 45 . N . 45 . CA . 45 . C . 46 . N parsed_2lr2 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.49 -29.03 . . 46 . N . 46 . CA . 46 . C . 47 . N parsed_2lr2 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.24 -25.60 . . 47 . N . 47 . CA . 47 . C . 48 . N parsed_2lr2 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.02 -9.12 . . 48 . N . 48 . CA . 48 . C . 49 . N parsed_2lr2 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.41 5.39 . . 49 . N . 49 . CA . 49 . C . 50 . N parsed_2lr2 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.79 155.91 . . 54 . N . 54 . CA . 54 . C . 55 . N parsed_2lr2 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.72 4.04 . . 55 . N . 55 . CA . 55 . C . 56 . N parsed_2lr2 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.61 29.65 . . 56 . N . 56 . CA . 56 . C . 57 . N parsed_2lr2 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 18.11 63.15 . . 57 . N . 57 . CA . 57 . C . 58 . N parsed_2lr2 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -14.86 23.30 . . 58 . N . 58 . CA . 58 . C . 59 . N parsed_2lr2 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 72.26 155.66 . . 61 . N . 61 . CA . 61 . C . 62 . N parsed_2lr2 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.02 -12.02 . . 64 . N . 64 . CA . 64 . C . 65 . N parsed_2lr2 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.25 1.11 . . 65 . N . 65 . CA . 65 . C . 66 . N parsed_2lr2 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.39 20.75 . . 66 . N . 66 . CA . 66 . C . 67 . N parsed_2lr2 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.59 32.89 . . 70 . N . 70 . CA . 70 . C . 71 . N parsed_2lr2 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.04 -32.44 . . 71 . N . 71 . CA . 71 . C . 72 . N parsed_2lr2 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.92 -28.98 . . 72 . N . 72 . CA . 72 . C . 73 . N parsed_2lr2 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -43.22 -27.30 . . 73 . N . 73 . CA . 73 . C . 74 . N parsed_2lr2 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.51 -36.31 . . 74 . N . 74 . CA . 74 . C . 75 . N parsed_2lr2 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.73 -32.83 . . 75 . N . 75 . CA . 75 . C . 76 . N parsed_2lr2 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.64 -28.88 . . 76 . N . 76 . CA . 76 . C . 77 . N parsed_2lr2 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.10 -32.46 . . 77 . N . 77 . CA . 77 . C . 78 . N parsed_2lr2 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.17 -31.97 . . 78 . N . 78 . CA . 78 . C . 79 . N parsed_2lr2 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.87 -35.13 . . 79 . N . 79 . CA . 79 . C . 80 . N parsed_2lr2 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.85 -23.49 . . 80 . N . 80 . CA . 80 . C . 81 . N parsed_2lr2 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.23 -36.17 . . 81 . N . 81 . CA . 81 . C . 82 . N parsed_2lr2 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.69 -31.75 . . 82 . N . 82 . CA . 82 . C . 83 . N parsed_2lr2 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.69 -23.19 . . 83 . N . 83 . CA . 83 . C . 84 . N parsed_2lr2 1
111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.57 1.31 . . 84 . N . 84 . CA . 84 . C . 85 . N parsed_2lr2 1
112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -32.85 36.85 . . 85 . N . 85 . CA . 85 . C . 86 . N parsed_2lr2 1
113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 87.32 173.00 . . 86 . N . 86 . CA . 86 . C . 87 . N parsed_2lr2 1
114 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 98.80 189.14 . . 87 . N . 87 . CA . 87 . C . 88 . N parsed_2lr2 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 "0. D 50 Chi1 -180 +/- 20; wholly artificial" 1 1 1 46 parsed_2lr2 1
2 "0. 67 Phi -120 +/- 20; wholly artificial" 6 1 6 43 parsed_2lr2 1
3 "1. K 20 Phi -60.22 +/- 7.25 (-67.47 to -52.96)" 11 1 11 49 parsed_2lr2 1
4 "2. E 21 Phi -68.97 +/- 11.96 (-80.93 to -57.01)" 16 1 16 50 parsed_2lr2 1
5 "3. Q 22 Phi -66.46 +/- 7.25 (-73.70 to -59.21)" 21 1 21 49 parsed_2lr2 1
6 "4. Q 23 Phi -65.71 +/- 9.27 (-74.98 to -56.44)" 26 1 26 49 parsed_2lr2 1
7 "5. N 24 Phi -66.22 +/- 10.22 (-76.44 to -56.00)" 31 1 31 50 parsed_2lr2 1
8 "6. A 25 Phi -63.42 +/- 6.22 (-69.64 to -57.20)" 36 1 36 49 parsed_2lr2 1
9 "7. F 26 Phi -63.81 +/- 10.24 (-74.06 to -53.57)" 41 1 41 50 parsed_2lr2 1
10 "8. Y 27 Phi -60.68 +/- 7.68 (-68.36 to -53.01)" 46 1 46 49 parsed_2lr2 1
11 "9. E 28 Phi -63.38 +/- 7.87 (-71.25 to -55.51)" 51 1 51 49 parsed_2lr2 1
12 "10. I 29 Phi -63.80 +/- 9.89 (-73.68 to -53.91)" 56 1 56 50 parsed_2lr2 1
13 "11. L 30 Phi -67.55 +/- 21.56 (-89.11 to -45.99)" 61 1 61 51 parsed_2lr2 1
14 "12. H 31 Phi -92.74 +/- 14.74 (-107.48 to -77.99)" 66 1 66 52 parsed_2lr2 1
15 "13. L 32 Phi -77.20 +/- 47.62 (-124.82 to -29.58)" 71 1 71 52 parsed_2lr2 1
16 "14. P 33 Phi -67.24 +/- 19.86 (-87.10 to -47.38)" 76 1 76 51 parsed_2lr2 1
17 "15. L 35 Phi -87.86 +/- 68.88 (-156.74 to -18.98)" 81 1 81 52 parsed_2lr2 1
18 "16. N 36 Phi -99.26 +/- 66.31 (-165.57 to -32.95)" 86 1 86 52 parsed_2lr2 1
19 "17. E 37 Phi -59.14 +/- 6.72 (-65.86 to -52.42)" 91 1 91 50 parsed_2lr2 1
20 "18. E 38 Phi -61.16 +/- 8.37 (-69.52 to -52.79)" 96 1 96 50 parsed_2lr2 1
21 "19. Q 39 Phi -66.51 +/- 11.03 (-77.54 to -55.48)" 101 1 101 51 parsed_2lr2 1
22 "20. R 40 Phi -63.35 +/- 10.32 (-73.68 to -53.03)" 106 1 106 51 parsed_2lr2 1
23 "21. N 41 Phi -61.24 +/- 7.83 (-69.07 to -53.41)" 111 1 111 50 parsed_2lr2 1
24 "22. A 42 Phi -63.48 +/- 7.18 (-70.66 to -56.30)" 116 1 116 50 parsed_2lr2 1
25 "23. F 43 Phi -61.73 +/- 7.22 (-68.96 to -54.51)" 121 1 121 50 parsed_2lr2 1
26 "24. I 44 Phi -61.90 +/- 7.15 (-69.05 to -54.75)" 126 1 126 50 parsed_2lr2 1
27 "25. Q 45 Phi -65.03 +/- 14.06 (-79.09 to -50.97)" 131 1 131 51 parsed_2lr2 1
28 "26. S 46 Phi -64.75 +/- 9.75 (-74.50 to -55.01)" 136 1 136 50 parsed_2lr2 1
29 "27. L 47 Phi -63.01 +/- 9.03 (-72.04 to -53.98)" 141 1 141 50 parsed_2lr2 1
30 "28. K 48 Phi -64.76 +/- 14.05 (-78.82 to -50.71)" 146 1 146 51 parsed_2lr2 1
31 "29. D 49 Phi -75.21 +/- 27.02 (-102.23 to -48.18)" 151 1 151 52 parsed_2lr2 1
32 "30. D 50 Phi -90.82 +/- 45.55 (-136.37 to -45.27)" 156 1 156 52 parsed_2lr2 1
33 "31. D 54 Phi -78.11 +/- 25.36 (-103.47 to -52.75)" 161 1 161 52 parsed_2lr2 1
34 "32. T 55 Phi -67.05 +/- 31.38 (-98.43 to -35.68)" 166 1 166 51 parsed_2lr2 1
35 "33. N 56 Phi -96.20 +/- 13.27 (-109.47 to -82.92)" 171 1 171 52 parsed_2lr2 1
36 "34. N 57 Phi 54.45 +/- 21.68 (32.77 to 76.13)" 176 1 176 48 parsed_2lr2 1
37 "35. D 58 Phi -98.71 +/- 23.24 (-121.96 to -75.47)" 181 1 181 52 parsed_2lr2 1
38 "36. Y 61 Phi -101.03 +/- 35.21 (-136.24 to -65.83)" 186 1 186 53 parsed_2lr2 1
39 "37. D 64 Phi -67.14 +/- 13.71 (-80.85 to -53.42)" 191 1 191 51 parsed_2lr2 1
40 "38. E 65 Phi -77.21 +/- 34.02 (-111.22 to -43.19)" 196 1 196 52 parsed_2lr2 1
41 "39. L 66 Phi -85.36 +/- 37.87 (-123.22 to -47.49)" 201 1 201 52 parsed_2lr2 1
42 "40. Q 70 Phi -71.11 +/- 46.26 (-117.37 to -24.85)" 206 1 206 52 parsed_2lr2 1
43 "41. S 71 Phi -62.64 +/- 6.70 (-69.35 to -55.94)" 211 1 211 50 parsed_2lr2 1
44 "42. A 72 Phi -63.09 +/- 9.45 (-72.54 to -53.65)" 216 1 216 50 parsed_2lr2 1
45 "43. N 73 Phi -70.51 +/- 12.16 (-82.67 to -58.35)" 221 1 221 51 parsed_2lr2 1
46 "44. L 74 Phi -65.24 +/- 7.68 (-72.92 to -57.56)" 226 1 226 50 parsed_2lr2 1
47 "45. L 75 Phi -60.59 +/- 10.56 (-71.14 to -50.03)" 231 1 231 51 parsed_2lr2 1
48 "46. A 76 Phi -61.03 +/- 10.49 (-71.52 to -50.54)" 236 1 236 51 parsed_2lr2 1
49 "47. E 77 Phi -63.46 +/- 11.88 (-75.34 to -51.58)" 241 1 241 51 parsed_2lr2 1
50 "48. A 78 Phi -63.64 +/- 10.53 (-74.17 to -53.11)" 246 1 246 51 parsed_2lr2 1
51 "49. K 79 Phi -64.35 +/- 6.78 (-71.13 to -57.57)" 251 1 251 50 parsed_2lr2 1
52 "50. K 80 Phi -65.04 +/- 9.97 (-75.01 to -55.06)" 256 1 256 50 parsed_2lr2 1
53 "51. L 81 Phi -63.63 +/- 8.38 (-72.01 to -55.25)" 261 1 261 50 parsed_2lr2 1
54 "52. N 82 Phi -62.08 +/- 11.26 (-73.33 to -50.82)" 266 1 266 51 parsed_2lr2 1
55 "53. D 83 Phi -64.46 +/- 11.76 (-76.22 to -52.69)" 271 1 271 51 parsed_2lr2 1
56 "54. A 84 Phi -69.90 +/- 19.20 (-89.11 to -50.70)" 276 1 276 51 parsed_2lr2 1
57 "55. Q 85 Phi -95.58 +/- 16.47 (-112.05 to -79.12)" 281 1 281 52 parsed_2lr2 1
58 "56. A 86 Phi -74.39 +/- 48.72 (-123.12 to -25.67)" 286 1 286 52 parsed_2lr2 1
59 "57. P 87 Phi -68.06 +/- 19.82 (-87.88 to -48.24)" 291 1 291 51 parsed_2lr2 1
60 "58. K 20 Psi -31.86 +/- 17.79 (-49.64 to -14.07)" 297 1 297 51 parsed_2lr2 1
61 "59. E 21 Psi -37.19 +/- 9.80 (-46.99 to -27.38)" 302 1 302 50 parsed_2lr2 1
62 "60. Q 22 Psi -39.95 +/- 10.12 (-50.07 to -29.83)" 307 1 307 51 parsed_2lr2 1
63 "61. Q 23 Psi -39.91 +/- 6.88 (-46.79 to -33.03)" 312 1 312 50 parsed_2lr2 1
64 "62. N 24 Psi -39.02 +/- 8.27 (-47.29 to -30.76)" 317 1 317 50 parsed_2lr2 1
65 "63. A 25 Psi -35.18 +/- 13.60 (-48.78 to -21.58)" 322 1 322 51 parsed_2lr2 1
66 "64. F 26 Psi -44.12 +/- 3.56 (-47.67 to -40.56)" 327 1 327 50 parsed_2lr2 1
67 "65. Y 27 Psi -42.09 +/- 12.61 (-54.71 to -29.48)" 332 1 332 51 parsed_2lr2 1
68 "66. E 28 Psi -43.19 +/- 14.20 (-57.39 to -28.99)" 337 1 337 51 parsed_2lr2 1
69 "67. I 29 Psi -42.61 +/- 12.12 (-54.73 to -30.48)" 342 1 342 51 parsed_2lr2 1
70 "68. L 30 Psi -24.48 +/- 24.01 (-48.49 to -0.48)" 347 1 347 50 parsed_2lr2 1
71 "69. H 31 Psi -9.77 +/- 32.91 (-42.68 to 23.14)" 352 1 352 49 parsed_2lr2 1
72 "70. L 32 Psi 127.66 +/- 59.11 (68.55 to 186.76)" 357 1 357 50 parsed_2lr2 1
73 "71. P 33 Psi 153.86 +/- 25.66 (128.20 to 179.51)" 362 1 362 51 parsed_2lr2 1
74 "72. L 35 Psi 145.18 +/- 36.60 (108.58 to 181.78)" 367 1 367 51 parsed_2lr2 1
75 "73. N 36 Psi 162.91 +/- 31.39 (131.53 to 194.30)" 372 1 372 51 parsed_2lr2 1
76 "74. E 37 Psi -33.94 +/- 14.62 (-48.56 to -19.33)" 377 1 377 51 parsed_2lr2 1
77 "75. E 38 Psi -43.89 +/- 14.11 (-58.00 to -29.78)" 382 1 382 51 parsed_2lr2 1
78 "76. Q 39 Psi -41.07 +/- 16.12 (-57.19 to -24.94)" 387 1 387 51 parsed_2lr2 1
79 "77. R 40 Psi -42.56 +/- 10.57 (-53.13 to -31.99)" 392 1 392 51 parsed_2lr2 1
80 "78. N 41 Psi -43.97 +/- 7.93 (-51.90 to -36.04)" 397 1 397 50 parsed_2lr2 1
81 "79. A 42 Psi -39.82 +/- 12.22 (-52.03 to -27.60)" 402 1 402 51 parsed_2lr2 1
82 "80. F 43 Psi -44.90 +/- 11.59 (-56.49 to -33.30)" 407 1 407 51 parsed_2lr2 1
83 "81. I 44 Psi -46.07 +/- 10.94 (-57.01 to -35.13)" 412 1 412 51 parsed_2lr2 1
84 "82. Q 45 Psi -34.22 +/- 9.86 (-44.08 to -24.36)" 417 1 417 50 parsed_2lr2 1
85 "83. S 46 Psi -40.76 +/- 11.73 (-52.49 to -29.03)" 422 1 422 51 parsed_2lr2 1
86 "84. L 47 Psi -40.92 +/- 15.32 (-56.24 to -25.60)" 427 1 427 51 parsed_2lr2 1
87 "85. K 48 Psi -33.57 +/- 24.45 (-58.03 to -9.12)" 432 1 432 50 parsed_2lr2 1
88 "86. D 49 Psi -26.01 +/- 31.40 (-57.41 to 5.39)" 437 1 437 49 parsed_2lr2 1
89 "87. D 50 Psi -15.06 +/- 51.27 (-66.33 to 36.21)" 442 1 442 50 parsed_2lr2 1
90 "88. D 54 Psi 113.35 +/- 42.56 (70.79 to 155.91)" 447 1 447 50 parsed_2lr2 1
91 "89. T 55 Psi -26.34 +/- 30.38 (-56.72 to 4.04)" 452 1 452 49 parsed_2lr2 1
92 "90. N 56 Psi 9.52 +/- 20.13 (-10.61 to 29.65)" 457 1 457 48 parsed_2lr2 1
93 "91. N 57 Psi 40.63 +/- 22.52 (18.11 to 63.14)" 462 1 462 48 parsed_2lr2 1
94 "92. D 58 Psi 4.22 +/- 19.08 (-14.85 to 23.30)" 467 1 467 48 parsed_2lr2 1
95 "93. Y 61 Psi 113.96 +/- 41.70 (72.26 to 155.66)" 472 1 472 50 parsed_2lr2 1
96 "94. D 64 Psi -35.02 +/- 23.00 (-58.02 to -12.03)" 477 1 477 51 parsed_2lr2 1
97 "95. E 65 Psi -24.57 +/- 25.68 (-50.25 to 1.11)" 482 1 482 49 parsed_2lr2 1
98 "96. L 66 Psi -12.32 +/- 33.07 (-45.40 to 20.75)" 487 1 487 50 parsed_2lr2 1
99 "97. Q 70 Psi -13.85 +/- 46.74 (-60.59 to 32.90)" 492 1 492 50 parsed_2lr2 1
100 "98. S 71 Psi -41.24 +/- 8.80 (-50.03 to -32.44)" 497 1 497 50 parsed_2lr2 1
101 "99. A 72 Psi -41.45 +/- 12.47 (-53.92 to -28.98)" 502 1 502 51 parsed_2lr2 1
102 "100. N 73 Psi -35.26 +/- 7.96 (-43.22 to -27.30)" 507 1 507 51 parsed_2lr2 1
103 "101. L 74 Psi -43.91 +/- 7.60 (-51.52 to -36.31)" 512 1 512 51 parsed_2lr2 1
104 "102. L 75 Psi -44.78 +/- 11.95 (-56.73 to -32.84)" 517 1 517 52 parsed_2lr2 1
105 "103. A 76 Psi -40.76 +/- 11.88 (-52.65 to -28.88)" 522 1 522 52 parsed_2lr2 1
106 "104. E 77 Psi -40.28 +/- 7.82 (-48.10 to -32.47)" 527 1 527 51 parsed_2lr2 1
107 "105. A 78 Psi -39.57 +/- 7.60 (-47.17 to -31.97)" 532 1 532 51 parsed_2lr2 1
108 "106. K 79 Psi -40.50 +/- 5.37 (-45.87 to -35.13)" 537 1 537 51 parsed_2lr2 1
109 "107. K 80 Psi -37.67 +/- 14.18 (-51.84 to -23.49)" 542 1 542 52 parsed_2lr2 1
110 "108. L 81 Psi -42.70 +/- 6.53 (-49.23 to -36.16)" 547 1 547 51 parsed_2lr2 1
111 "109. N 82 Psi -41.72 +/- 9.97 (-51.69 to -31.74)" 552 1 552 51 parsed_2lr2 1
112 "110. D 83 Psi -38.94 +/- 15.75 (-54.69 to -23.19)" 557 1 557 52 parsed_2lr2 1
113 "111. A 84 Psi -20.63 +/- 21.94 (-42.57 to 1.30)" 562 1 562 50 parsed_2lr2 1
114 "112. Q 85 Psi 2.00 +/- 34.85 (-32.84 to 36.85)" 567 1 567 49 parsed_2lr2 1
115 "113. A 86 Psi 130.16 +/- 42.84 (87.32 to 173.00)" 572 1 572 51 parsed_2lr2 1
116 "114. P 87 Psi 143.97 +/- 45.17 (98.80 to 189.14)" 577 1 577 51 parsed_2lr2 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 49 and name C) (resid 50 and name N)
# (resid 50 and name CA) (resid 50 and name C) 1.0 -90.82 45.55 2
;
158 1 159 79 parsed_2lr2 1
2
;
#assign (resid 50 and name N) (resid 50 and name CA)
# (resid 50 and name C) (resid 51 and name N) 1.0 -15.06 51.27 2
;
444 1 445 79 parsed_2lr2 1
stop_
save_
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