NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
52397 |
2khd   |
16238 | cing | 2-parsed | STAR | dihedral angle | 110 |
data_2khd_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2khd
_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_2khd 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2khd
_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 2khd "Master copy" parsed_2khd
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2khd
_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 2khd.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2khd 1
1 2khd.mr . . XPLOR/CNS 2 distance NOE simple 829 parsed_2khd 1
1 2khd.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 110 parsed_2khd 1
1 2khd.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 0 parsed_2khd 1
1 2khd.mr . . XPLOR/CNS 5 "chemical shift" "Not applicable" "Not applicable" 0 parsed_2khd 1
1 2khd.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2khd 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2khd
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -144.58 -84.58 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_2khd 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.32 161.32 . . 31 . N . 31 . CA . 31 . C . 32 . N parsed_2khd 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.02 -86.02 . . 31 . C . 32 . N . 32 . CA . 32 . C parsed_2khd 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96.84 156.84 . . 32 . N . 32 . CA . 32 . C . 33 . N parsed_2khd 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -147.55 -87.55 . . 32 . C . 33 . N . 33 . CA . 33 . C parsed_2khd 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 92.87 152.87 . . 33 . N . 33 . CA . 33 . C . 34 . N parsed_2khd 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -154.65 -94.65 . . 33 . C . 34 . N . 34 . CA . 34 . C parsed_2khd 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.69 163.69 . . 34 . N . 34 . CA . 34 . C . 35 . N parsed_2khd 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.64 -98.64 . . 35 . C . 36 . N . 36 . CA . 36 . C parsed_2khd 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.54 181.54 . . 36 . N . 36 . CA . 36 . C . 37 . N parsed_2khd 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.12 -93.12 . . 36 . C . 37 . N . 37 . CA . 37 . C parsed_2khd 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.94 171.94 . . 37 . N . 37 . CA . 37 . C . 38 . N parsed_2khd 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.88 -24.88 . . 40 . C . 41 . N . 41 . CA . 41 . C parsed_2khd 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.8 -19.8 . . 41 . N . 41 . CA . 41 . C . 42 . N parsed_2khd 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.19 -33.19 . . 41 . C . 42 . N . 42 . CA . 42 . C parsed_2khd 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.79 -11.79 . . 42 . N . 42 . CA . 42 . C . 43 . N parsed_2khd 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.81 -35.81 . . 42 . C . 43 . N . 43 . CA . 43 . C parsed_2khd 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.36 -12.36 . . 43 . N . 43 . CA . 43 . C . 44 . N parsed_2khd 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.76 -33.76 . . 43 . C . 44 . N . 44 . CA . 44 . C parsed_2khd 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.88 -10.88 . . 44 . N . 44 . CA . 44 . C . 45 . N parsed_2khd 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.66 -33.66 . . 44 . C . 45 . N . 45 . CA . 45 . C parsed_2khd 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.59 -9.59 . . 45 . N . 45 . CA . 45 . C . 46 . N parsed_2khd 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.09 -38.09 . . 45 . C . 46 . N . 46 . CA . 46 . C parsed_2khd 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.33 -8.33 . . 46 . N . 46 . CA . 46 . C . 47 . N parsed_2khd 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.05 -37.05 . . 46 . C . 47 . N . 47 . CA . 47 . C parsed_2khd 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.82 -8.82 . . 47 . N . 47 . CA . 47 . C . 48 . N parsed_2khd 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.06 -32.06 . . 47 . C . 48 . N . 48 . CA . 48 . C parsed_2khd 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.07 -14.07 . . 48 . N . 48 . CA . 48 . C . 49 . N parsed_2khd 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.61 -32.61 . . 48 . C . 49 . N . 49 . CA . 49 . C parsed_2khd 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.01 -10.01 . . 49 . N . 49 . CA . 49 . C . 50 . N parsed_2khd 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.16 -36.16 . . 49 . C . 50 . N . 50 . CA . 50 . C parsed_2khd 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.91 -13.91 . . 50 . N . 50 . CA . 50 . C . 51 . N parsed_2khd 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.89 -35.89 . . 50 . C . 51 . N . 51 . CA . 51 . C parsed_2khd 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.94 -12.94 . . 51 . N . 51 . CA . 51 . C . 52 . N parsed_2khd 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.77 -33.77 . . 51 . C . 52 . N . 52 . CA . 52 . C parsed_2khd 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.22 -15.22 . . 52 . N . 52 . CA . 52 . C . 53 . N parsed_2khd 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.05 -32.05 . . 52 . C . 53 . N . 53 . CA . 53 . C parsed_2khd 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.31 -11.31 . . 53 . N . 53 . CA . 53 . C . 54 . N parsed_2khd 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.7 -35.7 . . 53 . C . 54 . N . 54 . CA . 54 . C parsed_2khd 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.72 -13.72 . . 54 . N . 54 . CA . 54 . C . 55 . N parsed_2khd 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.55 -31.55 . . 54 . C . 55 . N . 55 . CA . 55 . C parsed_2khd 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.91 -12.91 . . 55 . N . 55 . CA . 55 . C . 56 . N parsed_2khd 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.82 -29.82 . . 55 . C . 56 . N . 56 . CA . 56 . C parsed_2khd 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.77 -9.77 . . 56 . N . 56 . CA . 56 . C . 57 . N parsed_2khd 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.41 -30.41 . . 56 . C . 57 . N . 57 . CA . 57 . C parsed_2khd 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.33 -13.33 . . 57 . N . 57 . CA . 57 . C . 58 . N parsed_2khd 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.5 -44.5 . . 57 . C . 58 . N . 58 . CA . 58 . C parsed_2khd 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.65 -0.65 . . 58 . N . 58 . CA . 58 . C . 59 . N parsed_2khd 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.2 -66.2 . . 61 . C . 62 . N . 62 . CA . 62 . C parsed_2khd 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 92.6 152.6 . . 62 . N . 62 . CA . 62 . C . 63 . N parsed_2khd 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.91 -85.91 . . 62 . C . 63 . N . 63 . CA . 63 . C parsed_2khd 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.9 171.9 . . 63 . N . 63 . CA . 63 . C . 64 . N parsed_2khd 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.4 -100.4 . . 63 . C . 64 . N . 64 . CA . 64 . C parsed_2khd 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.84 172.84 . . 64 . N . 64 . CA . 64 . C . 65 . N parsed_2khd 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -166.08 -106.08 . . 64 . C . 65 . N . 65 . CA . 65 . C parsed_2khd 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99 159 . . 65 . N . 65 . CA . 65 . C . 66 . N parsed_2khd 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -142.04 -82.04 . . 65 . C . 66 . N . 66 . CA . 66 . C parsed_2khd 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.92 149.92 . . 66 . N . 66 . CA . 66 . C . 67 . N parsed_2khd 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -108.69 -48.69 . . 66 . C . 67 . N . 67 . CA . 67 . C parsed_2khd 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.11 169.11 . . 67 . N . 67 . CA . 67 . C . 68 . N parsed_2khd 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -143.97 -83.97 . . 68 . C . 69 . N . 69 . CA . 69 . C parsed_2khd 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.45 160.45 . . 69 . N . 69 . CA . 69 . C . 70 . N parsed_2khd 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -124.31 -64.31 . . 71 . C . 72 . N . 72 . CA . 72 . C parsed_2khd 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -32.65 27.35 . . 72 . N . 72 . CA . 72 . C . 73 . N parsed_2khd 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.11 -105.11 . . 74 . C . 75 . N . 75 . CA . 75 . C parsed_2khd 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 119.91 179.91 . . 75 . N . 75 . CA . 75 . C . 76 . N parsed_2khd 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -166.91 -106.91 . . 75 . C . 76 . N . 76 . CA . 76 . C parsed_2khd 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.19 167.19 . . 76 . N . 76 . CA . 76 . C . 77 . N parsed_2khd 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.1 -79.1 . . 76 . C . 77 . N . 77 . CA . 77 . C parsed_2khd 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99.32 159.32 . . 77 . N . 77 . CA . 77 . C . 78 . N parsed_2khd 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.41 -98.41 . . 77 . C . 78 . N . 78 . CA . 78 . C parsed_2khd 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.76 177.76 . . 78 . N . 78 . CA . 78 . C . 79 . N parsed_2khd 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -163.74 -103.74 . . 78 . C . 79 . N . 79 . CA . 79 . C parsed_2khd 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.74 172.74 . . 79 . N . 79 . CA . 79 . C . 80 . N parsed_2khd 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.4 -112.4 . . 79 . C . 80 . N . 80 . CA . 80 . C parsed_2khd 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.7 166.7 . . 80 . N . 80 . CA . 80 . C . 81 . N parsed_2khd 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -147.27 -87.27 . . 80 . C . 81 . N . 81 . CA . 81 . C parsed_2khd 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 94.82 154.82 . . 81 . N . 81 . CA . 81 . C . 82 . N parsed_2khd 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.34 -35.34 . . 84 . C . 85 . N . 85 . CA . 85 . C parsed_2khd 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.47 -7.47 . . 85 . N . 85 . CA . 85 . C . 86 . N parsed_2khd 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.57 -34.57 . . 85 . C . 86 . N . 86 . CA . 86 . C parsed_2khd 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.49 -8.49 . . 86 . N . 86 . CA . 86 . C . 87 . N parsed_2khd 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.68 -33.68 . . 86 . C . 87 . N . 87 . CA . 87 . C parsed_2khd 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.3 -2.3 . . 87 . N . 87 . CA . 87 . C . 88 . N parsed_2khd 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.96 -29.96 . . 87 . C . 88 . N . 88 . CA . 88 . C parsed_2khd 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.56 -17.56 . . 88 . N . 88 . CA . 88 . C . 89 . N parsed_2khd 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.92 -35.92 . . 88 . C . 89 . N . 89 . CA . 89 . C parsed_2khd 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.07 -10.07 . . 89 . N . 89 . CA . 89 . C . 90 . N parsed_2khd 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.81 -33.81 . . 89 . C . 90 . N . 90 . CA . 90 . C parsed_2khd 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.04 -13.04 . . 90 . N . 90 . CA . 90 . C . 91 . N parsed_2khd 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.8 -31.8 . . 90 . C . 91 . N . 91 . CA . 91 . C parsed_2khd 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.94 -8.94 . . 91 . N . 91 . CA . 91 . C . 92 . N parsed_2khd 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.08 -34.08 . . 91 . C . 92 . N . 92 . CA . 92 . C parsed_2khd 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.34 -14.34 . . 92 . N . 92 . CA . 92 . C . 93 . N parsed_2khd 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.83 -34.83 . . 92 . C . 93 . N . 93 . CA . 93 . C parsed_2khd 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.41 -15.41 . . 93 . N . 93 . CA . 93 . C . 94 . N parsed_2khd 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.5 -31.5 . . 93 . C . 94 . N . 94 . CA . 94 . C parsed_2khd 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.91 -11.91 . . 94 . N . 94 . CA . 94 . C . 95 . N parsed_2khd 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.96 -35.96 . . 94 . C . 95 . N . 95 . CA . 95 . C parsed_2khd 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.8 -5.8 . . 95 . N . 95 . CA . 95 . C . 96 . N parsed_2khd 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.67 -32.67 . . 95 . C . 96 . N . 96 . CA . 96 . C parsed_2khd 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74 -14 . . 96 . N . 96 . CA . 96 . C . 97 . N parsed_2khd 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.8 -32.8 . . 96 . C . 97 . N . 97 . CA . 97 . C parsed_2khd 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.65 -10.65 . . 97 . N . 97 . CA . 97 . C . 98 . N parsed_2khd 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.57 -30.57 . . 97 . C . 98 . N . 98 . CA . 98 . C parsed_2khd 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.65 -9.65 . . 98 . N . 98 . CA . 98 . C . 99 . N parsed_2khd 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.61 -33.61 . . 98 . C . 99 . N . 99 . CA . 99 . C parsed_2khd 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.3 -7.3 . . 99 . N . 99 . CA . 99 . C . 100 . N parsed_2khd 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.45 -38.45 . . 99 . C . 100 . N . 100 . CA . 100 . C parsed_2khd 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.99 3.01 . . 100 . N . 100 . CA . 100 . C . 101 . N parsed_2khd 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
;
VcR52_shiftsCACB.tbl
PHI for VAL 31
;
1 1 3 17 parsed_2khd 1
2 "PSI for VAL 31" 7 1 7 17 parsed_2khd 1
3 "PHI for ALA 32" 11 1 11 17 parsed_2khd 1
4 "PSI for ALA 32" 15 1 15 17 parsed_2khd 1
5 "PHI for GLU 33" 19 1 19 17 parsed_2khd 1
6 "PSI for GLU 33" 23 1 23 17 parsed_2khd 1
7 "PHI for VAL 34" 27 1 27 17 parsed_2khd 1
8 "PSI for VAL 34" 31 1 31 17 parsed_2khd 1
9 "PHI for LEU 36" 35 1 35 17 parsed_2khd 1
10 "PSI for LEU 36" 39 1 39 17 parsed_2khd 1
11 "PHI for PHE 37" 43 1 43 17 parsed_2khd 1
12 "PSI for PHE 37" 47 1 47 17 parsed_2khd 1
13 "PHI for LYS 41" 51 1 51 17 parsed_2khd 1
14 "PSI for LYS 41" 55 1 55 17 parsed_2khd 1
15 "PHI for ALA 42" 59 1 59 17 parsed_2khd 1
16 "PSI for ALA 42" 63 1 63 17 parsed_2khd 1
17 "PHI for HIS 43" 67 1 67 17 parsed_2khd 1
18 "PSI for HIS 43" 71 1 71 17 parsed_2khd 1
19 "PHI for LEU 44" 75 1 75 17 parsed_2khd 1
20 "PSI for LEU 44" 79 1 79 17 parsed_2khd 1
21 "PHI for GLU 45" 83 1 83 17 parsed_2khd 1
22 "PSI for GLU 45" 87 1 87 17 parsed_2khd 1
23 "PHI for GLY 46" 91 1 91 17 parsed_2khd 1
24 "PSI for GLY 46" 95 1 95 17 parsed_2khd 1
25 "PHI for LYS 47" 99 1 99 17 parsed_2khd 1
26 "PSI for LYS 47" 103 1 103 17 parsed_2khd 1
27 "PHI for LEU 48" 107 1 107 17 parsed_2khd 1
28 "PSI for LEU 48" 111 1 111 17 parsed_2khd 1
29 "PHI for ALA 49" 115 1 115 17 parsed_2khd 1
30 "PSI for ALA 49" 119 1 119 17 parsed_2khd 1
31 "PHI for GLU 50" 123 1 123 17 parsed_2khd 1
32 "PSI for GLU 50" 127 1 127 17 parsed_2khd 1
33 "PHI for TYR 51" 131 1 131 17 parsed_2khd 1
34 "PSI for TYR 51" 135 1 135 17 parsed_2khd 1
35 "PHI for ILE 52" 139 1 139 17 parsed_2khd 1
36 "PSI for ILE 52" 143 1 143 17 parsed_2khd 1
37 "PHI for SER 53" 147 1 147 17 parsed_2khd 1
38 "PSI for SER 53" 151 1 151 17 parsed_2khd 1
39 "PHI for LEU 54" 155 1 155 17 parsed_2khd 1
40 "PSI for LEU 54" 159 1 159 17 parsed_2khd 1
41 "PHI for ALA 55" 163 1 163 17 parsed_2khd 1
42 "PSI for ALA 55" 167 1 167 17 parsed_2khd 1
43 "PHI for LYS 56" 171 1 171 17 parsed_2khd 1
44 "PSI for LYS 56" 175 1 175 17 parsed_2khd 1
45 "PHI for GLN 57" 179 1 179 17 parsed_2khd 1
46 "PSI for GLN 57" 183 1 183 17 parsed_2khd 1
47 "PHI for VAL 58" 187 1 187 17 parsed_2khd 1
48 "PSI for VAL 58" 191 1 191 17 parsed_2khd 1
49 "PHI for VAL 62" 195 1 195 17 parsed_2khd 1
50 "PSI for VAL 62" 199 1 199 17 parsed_2khd 1
51 "PHI for GLU 63" 203 1 203 17 parsed_2khd 1
52 "PSI for GLU 63" 207 1 207 17 parsed_2khd 1
53 "PHI for TYR 64" 211 1 211 17 parsed_2khd 1
54 "PSI for TYR 64" 215 1 215 17 parsed_2khd 1
55 "PHI for GLU 65" 219 1 219 17 parsed_2khd 1
56 "PSI for GLU 65" 223 1 223 17 parsed_2khd 1
57 "PHI for VAL 66" 227 1 227 17 parsed_2khd 1
58 "PSI for VAL 66" 231 1 231 17 parsed_2khd 1
59 "PHI for ALA 67" 235 1 235 17 parsed_2khd 1
60 "PSI for ALA 67" 239 1 239 17 parsed_2khd 1
61 "PHI for VAL 69" 243 1 243 17 parsed_2khd 1
62 "PSI for VAL 69" 247 1 247 17 parsed_2khd 1
63 "PHI for ASN 72" 251 1 251 17 parsed_2khd 1
64 "PSI for ASN 72" 255 1 255 17 parsed_2khd 1
65 "PHI for GLU 75" 259 1 259 17 parsed_2khd 1
66 "PSI for GLU 75" 263 1 263 17 parsed_2khd 1
67 "PHI for LEU 76" 267 1 267 17 parsed_2khd 1
68 "PSI for LEU 76" 271 1 271 17 parsed_2khd 1
69 "PHI for HIS 77" 275 1 275 17 parsed_2khd 1
70 "PSI for HIS 77" 279 1 279 17 parsed_2khd 1
71 "PHI for ALA 78" 283 1 283 17 parsed_2khd 1
72 "PSI for ALA 78" 287 1 287 17 parsed_2khd 1
73 "PHI for ARG 79" 291 1 291 17 parsed_2khd 1
74 "PSI for ARG 79" 295 1 295 17 parsed_2khd 1
75 "PHI for PHE 80" 299 1 299 17 parsed_2khd 1
76 "PSI for PHE 80" 303 1 303 17 parsed_2khd 1
77 "PHI for LYS 81" 307 1 307 17 parsed_2khd 1
78 "PSI for LYS 81" 311 1 311 17 parsed_2khd 1
79 "PHI for SER 85" 315 1 315 17 parsed_2khd 1
80 "PSI for SER 85" 319 1 319 17 parsed_2khd 1
81 "PHI for ALA 86" 323 1 323 17 parsed_2khd 1
82 "PSI for ALA 86" 327 1 327 17 parsed_2khd 1
83 "PHI for GLU 87" 331 1 331 17 parsed_2khd 1
84 "PSI for GLU 87" 335 1 335 17 parsed_2khd 1
85 "PHI for LYS 88" 339 1 339 17 parsed_2khd 1
86 "PSI for LYS 88" 343 1 343 17 parsed_2khd 1
87 "PHI for LEU 89" 347 1 347 17 parsed_2khd 1
88 "PSI for LEU 89" 351 1 351 17 parsed_2khd 1
89 "PHI for ILE 90" 355 1 355 17 parsed_2khd 1
90 "PSI for ILE 90" 359 1 359 17 parsed_2khd 1
91 "PHI for PHE 91" 363 1 363 17 parsed_2khd 1
92 "PSI for PHE 91" 367 1 367 17 parsed_2khd 1
93 "PHI for GLU 92" 371 1 371 17 parsed_2khd 1
94 "PSI for GLU 92" 375 1 375 17 parsed_2khd 1
95 "PHI for LEU 93" 379 1 379 17 parsed_2khd 1
96 "PSI for LEU 93" 383 1 383 17 parsed_2khd 1
97 "PHI for LYS 94" 387 1 387 17 parsed_2khd 1
98 "PSI for LYS 94" 391 1 391 17 parsed_2khd 1
99 "PHI for THR 95" 395 1 395 17 parsed_2khd 1
100 "PSI for THR 95" 399 1 399 17 parsed_2khd 1
101 "PHI for ARG 96" 403 1 403 17 parsed_2khd 1
102 "PSI for ARG 96" 407 1 407 17 parsed_2khd 1
103 "PHI for ALA 97" 411 1 411 17 parsed_2khd 1
104 "PSI for ALA 97" 415 1 415 17 parsed_2khd 1
105 "PHI for LEU 98" 419 1 419 17 parsed_2khd 1
106 "PSI for LEU 98" 423 1 423 17 parsed_2khd 1
107 "PHI for ALA 99" 427 1 427 17 parsed_2khd 1
108 "PSI for ALA 99" 431 1 431 17 parsed_2khd 1
109 "PHI for ARG 100" 435 1 435 18 parsed_2khd 1
110 "PSI for ARG 100" 439 1 439 18 parsed_2khd 1
stop_
save_
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