NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
640898 |
6nom   |
30561 | cing | 2-parsed | STAR | dihedral angle | 58 |
data_6nom_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6nom
_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_6nom 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6nom
_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 6nom "Master copy" parsed_6nom
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6nom
_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 6nom.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6nom 1
1 6nom.mr . . XPLOR/CNS 2 distance NOE ambi 743 parsed_6nom 1
1 6nom.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 22 parsed_6nom 1
1 6nom.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 58 parsed_6nom 1
1 6nom.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6nom 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6nom
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 4
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151.10 -103.74 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_6nom 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 131.83 171.83 . . 2 . N . 2 . CA . 2 . C . 3 . N parsed_6nom 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.17 -49.17 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_6nom 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.80 158.40 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_6nom 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159.22 -108.34 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_6nom 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.83 189.89 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_6nom 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.16 -117.98 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_6nom 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 131.34 173.22 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_6nom 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.59 -49.59 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_6nom 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.47 152.47 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_6nom 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.39 -37.09 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_6nom 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 94.30 175.38 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_6nom 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.27 -47.27 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_6nom 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.78 149.78 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_6nom 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -114.91 -74.91 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_6nom 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -19.74 20.26 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_6nom 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 58.85 105.21 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_6nom 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -6.87 34.23 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_6nom 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.77 -40.77 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_6nom 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.85 -24.85 . . 21 . N . 21 . CA . 21 . C . 22 . N parsed_6nom 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.20 -44.20 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_6nom 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.64 -22.64 . . 22 . N . 22 . CA . 22 . C . 23 . N parsed_6nom 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.08 -44.08 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_6nom 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.56 -24.56 . . 23 . N . 23 . CA . 23 . C . 24 . N parsed_6nom 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.02 -45.02 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_6nom 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.96 -18.96 . . 24 . N . 24 . CA . 24 . C . 25 . N parsed_6nom 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.22 -46.22 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_6nom 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.90 -15.72 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_6nom 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.93 -47.93 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_6nom 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.56 -19.56 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_6nom 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.91 -45.91 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_6nom 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.84 -11.84 . . 27 . N . 27 . CA . 27 . C . 28 . N parsed_6nom 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -112.33 -72.33 . . 27 . C . 28 . N . 28 . CA . 28 . C parsed_6nom 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -18.62 21.38 . . 28 . N . 28 . CA . 28 . C . 29 . N parsed_6nom 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 37.17 77.17 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_6nom 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.06 61.06 . . 29 . N . 29 . CA . 29 . C . 30 . N parsed_6nom 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.50 -46.50 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_6nom 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.04 -8.04 . . 31 . N . 31 . CA . 31 . C . 32 . N parsed_6nom 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -108.95 -68.21 . . 31 . C . 32 . N . 32 . CA . 32 . C parsed_6nom 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -20.81 19.19 . . 32 . N . 32 . CA . 32 . C . 33 . N parsed_6nom 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 59.55 100.77 . . 32 . C . 33 . N . 33 . CA . 33 . C parsed_6nom 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -3.80 37.70 . . 33 . N . 33 . CA . 33 . C . 34 . N parsed_6nom 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.75 -50.75 . . 34 . C . 35 . N . 35 . CA . 35 . C parsed_6nom 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.37 150.37 . . 35 . N . 35 . CA . 35 . C . 36 . N parsed_6nom 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -174.16 -80.12 . . 35 . C . 36 . N . 36 . CA . 36 . C parsed_6nom 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 133.54 180.04 . . 36 . N . 36 . CA . 36 . C . 37 . N parsed_6nom 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.63 -82.31 . . 38 . C . 39 . N . 39 . CA . 39 . C parsed_6nom 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.96 161.68 . . 39 . N . 39 . CA . 39 . C . 40 . N parsed_6nom 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -157.32 -117.32 . . 39 . C . 40 . N . 40 . CA . 40 . C parsed_6nom 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 129.14 169.14 . . 40 . N . 40 . CA . 40 . C . 41 . N parsed_6nom 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -122.20 -64.60 . . 40 . C . 41 . N . 41 . CA . 41 . C parsed_6nom 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.49 145.49 . . 41 . N . 41 . CA . 41 . C . 42 . N parsed_6nom 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -132.07 -75.71 . . 41 . C . 42 . N . 42 . CA . 42 . C parsed_6nom 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 97.92 154.58 . . 42 . N . 42 . CA . 42 . C . 43 . N parsed_6nom 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -127.23 -85.03 . . 42 . C . 43 . N . 43 . CA . 43 . C parsed_6nom 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.90 149.42 . . 43 . N . 43 . CA . 43 . C . 44 . N parsed_6nom 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -144.91 -86.19 . . 45 . C . 46 . N . 46 . CA . 46 . C parsed_6nom 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.32 166.92 . . 46 . N . 46 . CA . 46 . C . 47 . N parsed_6nom 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 "T 2 Phi Psi" 2 1 2 16 parsed_6nom 1
2 "C 3 Phi Psi" 7 1 7 16 parsed_6nom 1
3 "E 4 Phi Psi" 12 1 12 16 parsed_6nom 1
4 "N 5 Phi Psi" 17 1 17 16 parsed_6nom 1
5 "L 6 Phi Psi" 22 1 22 16 parsed_6nom 1
6 "S 7 Phi Psi" 27 1 27 16 parsed_6nom 1
7 "F 10 Phi Psi" 32 1 32 16 parsed_6nom 1
8 "D 17 Phi Psi" 37 1 37 16 parsed_6nom 1
9 "G 18 Phi Psi" 42 1 42 16 parsed_6nom 1
10 "N 21 Phi Psi" 47 1 47 16 parsed_6nom 1
11 "K 22 Phi Psi" 52 1 52 16 parsed_6nom 1
12 "H 23 Phi Psi" 57 1 57 16 parsed_6nom 1
13 "C 24 Phi Psi" 62 1 62 16 parsed_6nom 1
14 "R 25 Phi Psi" 67 1 67 16 parsed_6nom 1
15 "N 26 Phi Psi" 72 1 72 16 parsed_6nom 1
16 "N 27 Phi Psi" 77 1 77 16 parsed_6nom 1
17 "E 28 Phi Psi" 82 1 82 16 parsed_6nom 1
18 "H 29 Phi Psi" 87 1 87 16 parsed_6nom 1
19 "L 31 Phi Psi" 92 1 92 16 parsed_6nom 1
20 "S 32 Phi Psi" 97 1 97 16 parsed_6nom 1
21 "G 33 Phi Psi" 102 1 102 16 parsed_6nom 1
22 "C 35 Phi Psi" 107 1 107 16 parsed_6nom 1
23 "R 36 Phi Psi" 112 1 112 16 parsed_6nom 1
24 "F 39 Phi Psi" 117 1 117 16 parsed_6nom 1
25 "R 40 Phi Psi" 122 1 122 16 parsed_6nom 1
26 "C 41 Phi Psi" 127 1 127 16 parsed_6nom 1
27 "W 42 Phi Psi" 132 1 132 16 parsed_6nom 1
28 "C 43 Phi Psi" 137 1 137 16 parsed_6nom 1
29 "R 46 Phi Psi" 142 1 142 16 parsed_6nom 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 4: dihe.tbl" 1 1 1 29 parsed_6nom 1
stop_
save_
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