NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
609004 |
5t17   |
30157 | cing | 2-parsed | STAR | dihedral angle | 112 |
data_5t17_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5t17
_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_5t17 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5t17
_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 5t17 "Master copy" parsed_5t17
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5t17
_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 5t17.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5t17 1
1 5t17.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 112 parsed_5t17 1
1 5t17.mr . . XPLOR/CNS 3 distance NOE simple 0 parsed_5t17 1
1 5t17.mr . . XPLOR/CNS 4 distance NOE simple 0 parsed_5t17 1
1 5t17.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 0 parsed_5t17 1
1 5t17.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5t17 1
stop_
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_5t17
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -143.00 -93.00 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_5t17 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 119.00 159.00 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_5t17 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151.00 -101.00 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_5t17 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.00 165.00 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_5t17 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -161.00 -121.00 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_5t17 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.00 151.00 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_5t17 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -112.00 -72.00 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_5t17 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.00 148.00 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_5t17 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.00 -99.00 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_5t17 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 119.00 159.00 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_5t17 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.00 -64.00 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_5t17 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99.00 139.00 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_5t17 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -117.00 -57.00 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_5t17 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 85.00 165.00 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_5t17 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.00 -39.00 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_5t17 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.00 -6.00 . . 19 . N . 19 . CA . 19 . C . 20 . N parsed_5t17 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.00 -49.00 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_5t17 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.00 -12.00 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_5t17 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.00 -48.00 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_5t17 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.00 -10.00 . . 21 . N . 21 . CA . 21 . C . 22 . N parsed_5t17 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.00 -47.00 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_5t17 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.00 -16.00 . . 22 . N . 22 . CA . 22 . C . 23 . N parsed_5t17 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.00 -37.00 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_5t17 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.00 -23.00 . . 23 . N . 23 . CA . 23 . C . 24 . N parsed_5t17 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.00 -43.00 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_5t17 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.00 -19.00 . . 24 . N . 24 . CA . 24 . C . 25 . N parsed_5t17 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.00 -43.00 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_5t17 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.00 -23.00 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_5t17 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.00 -44.00 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_5t17 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.00 -14.00 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_5t17 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.00 -47.00 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_5t17 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.00 -6.00 . . 27 . N . 27 . CA . 27 . C . 28 . N parsed_5t17 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -106.00 -66.00 . . 27 . C . 28 . N . 28 . CA . 28 . C parsed_5t17 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -38.00 2.00 . . 28 . N . 28 . CA . 28 . C . 29 . N parsed_5t17 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.00 -108.00 . . 29 . C . 30 . N . 30 . CA . 30 . C parsed_5t17 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.00 165.00 . . 30 . N . 30 . CA . 30 . C . 31 . N parsed_5t17 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -108.00 -68.00 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_5t17 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.00 142.00 . . 31 . N . 31 . CA . 31 . C . 32 . N parsed_5t17 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -123.00 -73.00 . . 32 . C . 33 . N . 33 . CA . 33 . C parsed_5t17 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 88.00 168.00 . . 33 . N . 33 . CA . 33 . C . 34 . N parsed_5t17 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.00 -81.00 . . 33 . C . 34 . N . 34 . CA . 34 . C parsed_5t17 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.00 149.00 . . 34 . N . 34 . CA . 34 . C . 35 . N parsed_5t17 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.00 -101.00 . . 34 . C . 35 . N . 35 . CA . 35 . C parsed_5t17 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123.00 163.00 . . 35 . N . 35 . CA . 35 . C . 36 . N parsed_5t17 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 -78.00 . . 35 . C . 36 . N . 36 . CA . 36 . C parsed_5t17 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.00 158.00 . . 36 . N . 36 . CA . 36 . C . 37 . N parsed_5t17 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.00 -95.00 . . 36 . C . 37 . N . 37 . CA . 37 . C parsed_5t17 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 119.00 159.00 . . 37 . N . 37 . CA . 37 . C . 38 . N parsed_5t17 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.00 -83.00 . . 37 . C . 38 . N . 38 . CA . 38 . C parsed_5t17 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 131.00 171.00 . . 38 . N . 38 . CA . 38 . C . 39 . N parsed_5t17 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -116.00 -76.00 . . 39 . C . 40 . N . 40 . CA . 40 . C parsed_5t17 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -21.00 19.00 . . 40 . N . 40 . CA . 40 . C . 41 . N parsed_5t17 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -108.00 -68.00 . . 41 . C . 42 . N . 42 . CA . 42 . C parsed_5t17 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.00 148.00 . . 42 . N . 42 . CA . 42 . C . 43 . N parsed_5t17 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136.00 -96.00 . . 42 . C . 43 . N . 43 . CA . 43 . C parsed_5t17 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 132.00 172.00 . . 43 . N . 43 . CA . 43 . C . 44 . N parsed_5t17 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -147.00 -101.00 . . 43 . C . 44 . N . 44 . CA . 44 . C parsed_5t17 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.00 161.00 . . 44 . N . 44 . CA . 44 . C . 45 . N parsed_5t17 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -108.00 -58.00 . . 44 . C . 45 . N . 45 . CA . 45 . C parsed_5t17 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.00 156.00 . . 45 . N . 45 . CA . 45 . C . 46 . N parsed_5t17 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -40.00 . . 48 . C . 49 . N . 49 . CA . 49 . C parsed_5t17 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.00 -19.00 . . 49 . N . 49 . CA . 49 . C . 50 . N parsed_5t17 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -50.00 . . 49 . C . 50 . N . 50 . CA . 50 . C parsed_5t17 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.00 -21.00 . . 50 . N . 50 . CA . 50 . C . 51 . N parsed_5t17 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.00 -45.00 . . 50 . C . 51 . N . 51 . CA . 51 . C parsed_5t17 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.00 -19.00 . . 51 . N . 51 . CA . 51 . C . 52 . N parsed_5t17 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.00 -44.00 . . 51 . C . 52 . N . 52 . CA . 52 . C parsed_5t17 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.00 -22.00 . . 52 . N . 52 . CA . 52 . C . 53 . N parsed_5t17 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.00 -44.00 . . 52 . C . 53 . N . 53 . CA . 53 . C parsed_5t17 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.00 -19.00 . . 53 . N . 53 . CA . 53 . C . 54 . N parsed_5t17 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.00 -43.00 . . 53 . C . 54 . N . 54 . CA . 54 . C parsed_5t17 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.00 -16.00 . . 54 . N . 54 . CA . 54 . C . 55 . N parsed_5t17 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.00 -46.00 . . 54 . C . 55 . N . 55 . CA . 55 . C parsed_5t17 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.00 -12.00 . . 55 . N . 55 . CA . 55 . C . 56 . N parsed_5t17 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.00 -45.00 . . 55 . C . 56 . N . 56 . CA . 56 . C parsed_5t17 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.00 -12.00 . . 56 . N . 56 . CA . 56 . C . 57 . N parsed_5t17 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -137.00 -93.00 . . 61 . C . 62 . N . 62 . CA . 62 . C parsed_5t17 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.00 170.00 . . 62 . N . 62 . CA . 62 . C . 63 . N parsed_5t17 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.00 -105.00 . . 62 . C . 63 . N . 63 . CA . 63 . C parsed_5t17 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.00 161.00 . . 63 . N . 63 . CA . 63 . C . 64 . N parsed_5t17 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -132.00 -92.00 . . 63 . C . 64 . N . 64 . CA . 64 . C parsed_5t17 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.00 141.00 . . 64 . N . 64 . CA . 64 . C . 65 . N parsed_5t17 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -123.00 -83.00 . . 64 . C . 65 . N . 65 . CA . 65 . C parsed_5t17 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104.00 144.00 . . 65 . N . 65 . CA . 65 . C . 66 . N parsed_5t17 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -143.00 -93.00 . . 65 . C . 66 . N . 66 . CA . 66 . C parsed_5t17 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.00 157.00 . . 66 . N . 66 . CA . 66 . C . 67 . N parsed_5t17 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -134.00 -94.00 . . 66 . C . 67 . N . 67 . CA . 67 . C parsed_5t17 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.00 158.00 . . 67 . N . 67 . CA . 67 . C . 68 . N parsed_5t17 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.00 -83.00 . . 67 . C . 68 . N . 68 . CA . 68 . C parsed_5t17 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104.00 144.00 . . 68 . N . 68 . CA . 68 . C . 69 . N parsed_5t17 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.00 -45.00 . . 71 . C . 72 . N . 72 . CA . 72 . C parsed_5t17 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.00 -14.00 . . 72 . N . 72 . CA . 72 . C . 73 . N parsed_5t17 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.00 -44.00 . . 72 . C . 73 . N . 73 . CA . 73 . C parsed_5t17 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.00 -21.00 . . 73 . N . 73 . CA . 73 . C . 74 . N parsed_5t17 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.00 -48.00 . . 73 . C . 74 . N . 74 . CA . 74 . C parsed_5t17 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.00 -19.00 . . 74 . N . 74 . CA . 74 . C . 75 . N parsed_5t17 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.00 -48.00 . . 74 . C . 75 . N . 75 . CA . 75 . C parsed_5t17 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.00 -16.00 . . 75 . N . 75 . CA . 75 . C . 76 . N parsed_5t17 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.00 -49.00 . . 75 . C . 76 . N . 76 . CA . 76 . C parsed_5t17 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.00 -14.00 . . 76 . N . 76 . CA . 76 . C . 77 . N parsed_5t17 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.00 -43.00 . . 76 . C . 77 . N . 77 . CA . 77 . C parsed_5t17 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.00 -19.00 . . 77 . N . 77 . CA . 77 . C . 78 . N parsed_5t17 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.00 -46.00 . . 77 . C . 78 . N . 78 . CA . 78 . C parsed_5t17 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.00 -23.00 . . 78 . N . 78 . CA . 78 . C . 79 . N parsed_5t17 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.00 -47.00 . . 78 . C . 79 . N . 79 . CA . 79 . C parsed_5t17 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -20.00 . . 79 . N . 79 . CA . 79 . C . 80 . N parsed_5t17 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.00 -49.00 . . 79 . C . 80 . N . 80 . CA . 80 . C parsed_5t17 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -20.00 . . 80 . N . 80 . CA . 80 . C . 81 . N parsed_5t17 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.00 -43.00 . . 80 . C . 81 . N . 81 . CA . 81 . C parsed_5t17 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.00 -18.00 . . 81 . N . 81 . CA . 81 . C . 82 . N parsed_5t17 1
111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -50.00 . . 81 . C . 82 . N . 82 . CA . 82 . C parsed_5t17 1
112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.00 -16.00 . . 82 . N . 82 . CA . 82 . C . 83 . N parsed_5t17 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1
;
! phi and phi angles for NPr #Gus Jan 10 2004
! T2
;
2 1 3 6 parsed_5t17 1
2
;
assign (resid 1 and name C) (resid 2 and name N)
(resid 2 and name CA) (resid 2 and name C) 1 -88.00 20.00 2
assign (resid 2 and name N) (resid 2 and name CA)
(resid 2 and name C) (resid 3 and name N) 1 133.00 20.00 2
;
4 1 4 1 parsed_5t17 1
3 "! V3" 9 1 9 6 parsed_5t17 1
4 K4 14 1 14 4 parsed_5t17 1
5 "! Q5" 19 1 19 6 parsed_5t17 1
6 "! T6" 24 1 24 6 parsed_5t17 1
7 "! V7" 29 1 29 6 parsed_5t17 1
8 "! E8" 34 1 34 6 parsed_5t17 1
9 "! I9" 39 1 39 6 parsed_5t17 1
10
;
!! M15
assign (resid 14 and name C) (resid 15 and name N)
(resid 15 and name CA) (resid 15 and name C) 1 -95.00 20.00 2
assign (resid 15 and name N) (resid 15 and name CA)
(resid 15 and name C) (resid 16 and name N) 1 120.00 25.00 2
!! A17
assign (resid 16 and name C) (resid 17 and name N)
(resid 17 and name CA) (resid 17 and name C) 1 -63.00 20.00 2
assign (resid 17 and name N) (resid 17 and name CA)
(resid 17 and name C) (resid 18 and name N) 1 -33.00 20.00 2
!! R18
assign (resid 17 and name C) (resid 18 and name N)
(resid 18 and name CA) (resid 18 and name C) 1 -65.00 20.00 2
assign (resid 18 and name N) (resid 18 and name CA)
(resid 18 and name C) (resid 19 and name N) 1 -38.00 20.00 2
;
44 1 44 1 parsed_5t17 1
11 "! P19" 61 1 61 7 parsed_5t17 1
12 "! A20" 66 1 66 7 parsed_5t17 1
13 "! M21" 71 1 71 7 parsed_5t17 1
14 "! K22" 76 1 76 7 parsed_5t17 1
15 "! L23" 81 1 81 7 parsed_5t17 1
16 "! F24" 86 1 86 7 parsed_5t17 1
17 "! E25" 91 1 91 7 parsed_5t17 1
18 "! L26" 96 1 96 7 parsed_5t17 1
19 "! M27" 101 1 101 7 parsed_5t17 1
20 "! Q28" 106 1 106 7 parsed_5t17 1
21
;
!! G29
assign (resid 28 and name C) (resid 29 and name N)
(resid 29 and name CA) (resid 29 and name C) 1 -76.00 20.00 2
assign (resid 29 and name N) (resid 29 and name CA)
(resid 29 and name C) (resid 30 and name N) 1 -22.00 20.00 2
;
111 1 111 1 parsed_5t17 1
22 "! F30" 117 1 117 7 parsed_5t17 1
23 "! D31" 123 1 123 7 parsed_5t17 1
24 "! E33" 129 1 129 7 parsed_5t17 1
25 "! V34" 134 1 134 7 parsed_5t17 1
26 "! L35" 139 1 139 7 parsed_5t17 1
27 "! L36" 144 1 144 7 parsed_5t17 1
28 "! R37" 149 1 149 7 parsed_5t17 1
29 "! N38" 154 1 154 7 parsed_5t17 1
30
;
!! D39
assign (resid 38 and name C) (resid 39 and name N)
(resid 39 and name CA) (resid 39 and name C) 1 -64.00 10.00 2
assign (resid 39 and name N) (resid 39 and name CA)
(resid 39 and name C) (resid 40 and name N) 1 22.00 10.00 2
;
159 1 159 1 parsed_5t17 1
31 "! E40" 165 1 165 7 parsed_5t17 1
32 "! T42" 170 1 170 7 parsed_5t17 1
33 "! E43" 175 1 175 7 parsed_5t17 1
34 "! A44" 180 1 180 7 parsed_5t17 1
35 "! E45" 185 1 185 7 parsed_5t17 1
36
;
!! A46
assign (resid 45 and name C) (resid 46 and name N)
(resid 46 and name CA) (resid 46 and name C) 1 -70.00 20.00 2
assign (resid 46 and name N) (resid 46 and name CA)
(resid 46 and name C) (resid 47 and name N) 1 21.00 20.00 2
!! N47
assign (resid 46 and name C) (resid 47 and name N)
(resid 47 and name CA) (resid 47 and name C) 1 -94.00 20.00 2
assign (resid 47 and name N) (resid 47 and name CA)
(resid 47 and name C) (resid 48 and name N) 1 4.00 20.00 2
!! S48
assign (resid 47 and name C) (resid 48 and name N)
(resid 48 and name CA) (resid 48 and name C) 1 -103.00 47.00 2
assign (resid 48 and name N) (resid 48 and name CA)
(resid 48 and name C) (resid 49 and name N) 1 153.00 24.00 2
;
190 1 190 1 parsed_5t17 1
37 "! V49" 208 1 208 7 parsed_5t17 1
38 "! I50" 213 1 213 7 parsed_5t17 1
39 "! A51" 218 1 218 7 parsed_5t17 1
40 "! L52" 223 1 223 7 parsed_5t17 1
41 "! L53" 228 1 228 7 parsed_5t17 1
42 "! M54" 233 1 233 7 parsed_5t17 1
43 "! L55" 238 1 238 7 parsed_5t17 1
44 "! D56" 243 1 243 7 parsed_5t17 1
45
;
!! S57
assign (resid 56 and name C) (resid 57 and name N)
(resid 57 and name CA) (resid 57 and name C) 1 -79.00 20.00 2
assign (resid 57 and name N) (resid 57 and name CA)
(resid 57 and name C) (resid 58 and name N) 1 -14.00 20.00 2
!! R61
assign (resid 60 and name C) (resid 61 and name N)
(resid 61 and name CA) (resid 61 and name C) 1 -102.00 40.00 2
assign (resid 61 and name N) (resid 61 and name CA)
(resid 61 and name C) (resid 62 and name N) 1 151.00 40.00 2
;
248 1 248 1 parsed_5t17 1
46 "! Q62" 260 1 260 7 parsed_5t17 1
47 "! I63" 265 1 265 7 parsed_5t17 1
48 "! E64" 270 1 270 7 parsed_5t17 1
49 "! V65" 275 1 275 7 parsed_5t17 1
50 "! E66" 280 1 280 7 parsed_5t17 1
51 "! A67" 285 1 285 7 parsed_5t17 1
52 "! T68" 290 1 290 7 parsed_5t17 1
53
;
!! Q71
assign (resid 70 and name C) (resid 71 and name N)
(resid 71 and name CA) (resid 71 and name C) 1 -105.00 20.00 2
assign (resid 71 and name N) (resid 71 and name CA)
(resid 71 and name C) (resid 72 and name N) 1 15.00 20.00 2
;
295 1 295 1 parsed_5t17 1
54 "! E72" 301 1 301 7 parsed_5t17 1
55 "! E73" 306 1 306 7 parsed_5t17 1
56 "! E74" 311 1 311 7 parsed_5t17 1
57 "! A75" 316 1 316 7 parsed_5t17 1
58 "! L76" 321 1 321 7 parsed_5t17 1
59 "! A77" 326 1 326 7 parsed_5t17 1
60 "! A78" 331 1 331 7 parsed_5t17 1
61 "! V79" 336 1 336 7 parsed_5t17 1
62 "! I80" 341 1 341 7 parsed_5t17 1
63 "! A81" 346 1 346 7 parsed_5t17 1
64 "! L82" 351 1 351 7 parsed_5t17 1
65
;
!! F83
assign (resid 82 and name C) (resid 83 and name N)
(resid 83 and name CA) (resid 83 and name C) 1 -60.00 20.00 2
assign (resid 83 and name N) (resid 83 and name CA)
(resid 83 and name C) (resid 84 and name N) 1 -38.00 20.00 2
!! N84
assign (resid 83 and name C) (resid 84 and name N)
(resid 84 and name CA) (resid 84 and name C) 1 -82.00 20.00 2
assign (resid 84 and name N) (resid 84 and name CA)
(resid 84 and name C) (resid 85 and name N) 1 -24.00 20.00 2
!! S85
assign (resid 84 and name C) (resid 85 and name N)
(resid 85 and name CA) (resid 85 and name C) 1 -95.00 20.00 2
assign (resid 85 and name N) (resid 85 and name CA)
(resid 85 and name C) (resid 86 and name N) 1 -6.00 20.00 2
;
356 1 356 1 parsed_5t17 1
66 END 373 1 373 5 parsed_5t17 1
67
;
pck2xplr.nawk Table; Input File: c13noejan26.sort
Date: Thu Jan 26 16:28:39 EST 2006
Path: /hbar1/gswang/NPr_IIAntr/npr1_85/D2O_cnNPr85_noesyChsqc_aliph_35c7_012306.fid
@ BEGIN_XPLR_PCK_SUM
LBL File-Name All Intra Seq. Short Long
A c13noejan26.sort 262 50 13 67 132
Total 262 50 13 67 132
@ END_XPLR_PCK_SUM
;
375 1 384 20 parsed_5t17 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 "# Restraints file 1: TALOS_psi.dih_NPr.tbl" 1 1 1 42 parsed_5t17 1
2 "# Restraints file 2: c13noejan26_06.tbl" 374 1 374 39 parsed_5t17 1
stop_
save_
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