NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
51276 |
2k65   |
15858 | cing | 2-parsed | STAR | dihedral angle | 39 |
data_2k65_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2k65
_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_2k65 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2k65
_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 2k65 "Master copy" parsed_2k65
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2k65
_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 2k65.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2k65 1
1 2k65.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_2k65 1
1 2k65.mr . . XPLOR/CNS 3 distance NOE simple 221 parsed_2k65 1
1 2k65.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_2k65 1
1 2k65.mr . . XPLOR/CNS 5 distance NOE simple 60 parsed_2k65 1
1 2k65.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_2k65 1
1 2k65.mr . . XPLOR/CNS 7 distance NOE simple 37 parsed_2k65 1
1 2k65.mr . . n/a 8 comment "Not applicable" "Not applicable" 0 parsed_2k65 1
1 2k65.mr . . XPLOR/CNS 9 "dihedral angle" "Not applicable" "Not applicable" 62 parsed_2k65 1
1 2k65.mr . . n/a 10 comment "Not applicable" "Not applicable" 0 parsed_2k65 1
1 2k65.mr . . XPLOR/CNS 11 "dihedral angle" "Not applicable" "Not applicable" 39 parsed_2k65 1
1 2k65.mr . . n/a 12 comment "Not applicable" "Not applicable" 0 parsed_2k65 1
1 2k65.mr . . XPLOR/CNS 13 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2k65 1
1 2k65.mr . . "MR format" 14 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2k65 1
stop_
save_
save_CNS/XPLOR_dihedral_11
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2k65
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 11
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55.0 115.0 . . 13 . C5' . 13 . C4' . 13 . C3' . 13 . O3' parsed_2k65 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 5.0 . . 13 . O4' . 13 . C1' . 13 . C2' . 13 . C3' parsed_2k65 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7.3 67.3 . . 13 . C1' . 13 . C2' . 13 . C3' . 13 . C4' parsed_2k65 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55.0 115.0 . . 14 . C5' . 14 . C4' . 14 . C3' . 14 . O3' parsed_2k65 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 5.0 . . 14 . O4' . 14 . C1' . 14 . C2' . 14 . C3' parsed_2k65 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7.3 67.3 . . 14 . C1' . 14 . C2' . 14 . C3' . 14 . C4' parsed_2k65 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55.0 115.0 . . 15 . C5' . 15 . C4' . 15 . C3' . 15 . O3' parsed_2k65 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 5.0 . . 15 . O4' . 15 . C1' . 15 . C2' . 15 . C3' parsed_2k65 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7.3 67.3 . . 15 . C1' . 15 . C2' . 15 . C3' . 15 . C4' parsed_2k65 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55.0 115.0 . . 16 . C5' . 16 . C4' . 16 . C3' . 16 . O3' parsed_2k65 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 5.0 . . 16 . O4' . 16 . C1' . 16 . C2' . 16 . C3' parsed_2k65 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7.3 67.3 . . 16 . C1' . 16 . C2' . 16 . C3' . 16 . C4' parsed_2k65 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55.0 115.0 . . 17 . C5' . 17 . C4' . 17 . C3' . 17 . O3' parsed_2k65 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 5.0 . . 17 . O4' . 17 . C1' . 17 . C2' . 17 . C3' parsed_2k65 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7.3 67.3 . . 17 . C1' . 17 . C2' . 17 . C3' . 17 . C4' parsed_2k65 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55.0 115.0 . . 18 . C5' . 18 . C4' . 18 . C3' . 18 . O3' parsed_2k65 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 5.0 . . 18 . O4' . 18 . C1' . 18 . C2' . 18 . C3' parsed_2k65 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7.3 67.3 . . 18 . C1' . 18 . C2' . 18 . C3' . 18 . C4' parsed_2k65 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55.0 115.0 . . 59 . C5' . 59 . C4' . 59 . C3' . 59 . O3' parsed_2k65 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 5.0 . . 59 . O4' . 59 . C1' . 59 . C2' . 59 . C3' parsed_2k65 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7.3 67.3 . . 59 . C1' . 59 . C2' . 59 . C3' . 59 . C4' parsed_2k65 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55.0 115.0 . . 60 . C5' . 60 . C4' . 60 . C3' . 60 . O3' parsed_2k65 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 5.0 . . 60 . O4' . 60 . C1' . 60 . C2' . 60 . C3' parsed_2k65 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7.3 67.3 . . 60 . C1' . 60 . C2' . 60 . C3' . 60 . C4' parsed_2k65 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55.0 115.0 . . 61 . C5' . 61 . C4' . 61 . C3' . 61 . O3' parsed_2k65 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 5.0 . . 61 . O4' . 61 . C1' . 61 . C2' . 61 . C3' parsed_2k65 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7.3 67.3 . . 61 . C1' . 61 . C2' . 61 . C3' . 61 . C4' parsed_2k65 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55.0 115.0 . . 62 . C5' . 62 . C4' . 62 . C3' . 62 . O3' parsed_2k65 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 5.0 . . 62 . O4' . 62 . C1' . 62 . C2' . 62 . C3' parsed_2k65 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7.3 67.3 . . 62 . C1' . 62 . C2' . 62 . C3' . 62 . C4' parsed_2k65 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55.0 115.0 . . 63 . C5' . 63 . C4' . 63 . C3' . 63 . O3' parsed_2k65 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 5.0 . . 63 . O4' . 63 . C1' . 63 . C2' . 63 . C3' parsed_2k65 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7.3 67.3 . . 63 . C1' . 63 . C2' . 63 . C3' . 63 . C4' parsed_2k65 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55.0 115.0 . . 64 . C5' . 64 . C4' . 64 . C3' . 64 . O3' parsed_2k65 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 5.0 . . 64 . O4' . 64 . C1' . 64 . C2' . 64 . C3' parsed_2k65 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7.3 67.3 . . 64 . C1' . 64 . C2' . 64 . C3' . 64 . C4' parsed_2k65 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55.0 115.0 . . 65 . C5' . 65 . C4' . 65 . C3' . 65 . O3' parsed_2k65 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 5.0 . . 65 . O4' . 65 . C1' . 65 . C2' . 65 . C3' parsed_2k65 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7.3 67.3 . . 65 . C1' . 65 . C2' . 65 . C3' . 65 . C4' parsed_2k65 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 G13 1 1 1 1 parsed_2k65 1
2 *delta* 5 67 5 67 parsed_2k65 1
3 *nu1* 10 67 10 67 parsed_2k65 1
4 *nu2* 15 67 15 67 parsed_2k65 1
5 G14 17 1 17 1 parsed_2k65 1
6 *delta* 21 67 21 67 parsed_2k65 1
7 *nu1* 26 67 26 67 parsed_2k65 1
8 *nu2* 31 67 31 67 parsed_2k65 1
9 C15 33 1 33 1 parsed_2k65 1
10 *delta* 37 67 37 67 parsed_2k65 1
11 *nu1* 42 67 42 67 parsed_2k65 1
12 *nu2* 47 67 47 67 parsed_2k65 1
13 A16 49 1 49 1 parsed_2k65 1
14 *delta* 53 67 53 67 parsed_2k65 1
15 *nu1* 58 67 58 67 parsed_2k65 1
16 *nu2* 63 65 63 65 parsed_2k65 1
17 C17 65 1 65 1 parsed_2k65 1
18 *delta* 69 67 69 67 parsed_2k65 1
19 *nu1* 74 67 74 67 parsed_2k65 1
20 *nu2* 79 65 79 65 parsed_2k65 1
21 U18 81 1 81 1 parsed_2k65 1
22 *delta* 85 67 85 67 parsed_2k65 1
23 *nu1* 90 67 90 67 parsed_2k65 1
24 *nu2* 95 65 95 65 parsed_2k65 1
25 G19 97 1 97 1 parsed_2k65 1
26 "assign ( resi 19 and name C5' )" 98 2 98 2 parsed_2k65 1
27 "( resi 19 and name C4' )" 99 2 99 2 parsed_2k65 1
28 "( resi 19 and name C3' )" 100 2 100 2 parsed_2k65 1
29 "( resi 19 and name O3' ) 20.0 85.0 30.0 2" 101 2 101 2 parsed_2k65 1
30 *delta* 101 68 101 68 parsed_2k65 1
31 "assign ( resi 19 and name O4' )" 103 2 103 2 parsed_2k65 1
32 "( resi 19 and name C1' )" 104 2 104 2 parsed_2k65 1
33 "( resi 19 and name C2' )" 105 2 105 2 parsed_2k65 1
34 "( resi 19 and name C3' ) 20.0 -25.0 30.0 2" 106 2 106 2 parsed_2k65 1
35 *nu1* 106 69 106 69 parsed_2k65 1
36 "assign ( resi 19 and name C1' )" 108 2 108 2 parsed_2k65 1
37 "( resi 19 and name C2' )" 109 2 109 2 parsed_2k65 1
38 "( resi 19 and name C3' )" 110 2 110 2 parsed_2k65 1
39 "( resi 19 and name C4' ) 20.0 37.3 30.0 2" 111 2 111 2 parsed_2k65 1
40 *nu2* 111 66 111 66 parsed_2k65 1
41 C59 113 1 113 1 parsed_2k65 1
42 *delta* 117 67 117 67 parsed_2k65 1
43 *nu1* 122 67 122 67 parsed_2k65 1
44 *nu2* 127 67 127 67 parsed_2k65 1
45 A60 129 1 129 1 parsed_2k65 1
46 *delta* 133 67 133 67 parsed_2k65 1
47 *nu1* 138 67 138 67 parsed_2k65 1
48 *nu2* 143 67 143 67 parsed_2k65 1
49 G61 145 1 145 1 parsed_2k65 1
50 *delta* 149 67 149 67 parsed_2k65 1
51 *nu1* 154 67 154 67 parsed_2k65 1
52 *nu2* 159 67 159 67 parsed_2k65 1
53 U62 161 1 161 1 parsed_2k65 1
54 *delta* 165 67 165 67 parsed_2k65 1
55 *nu1* 170 67 170 67 parsed_2k65 1
56 *nu2* 175 65 175 65 parsed_2k65 1
57 G63 177 1 177 1 parsed_2k65 1
58 *delta* 181 67 181 67 parsed_2k65 1
59 *nu1* 186 67 186 67 parsed_2k65 1
60 *nu2* 191 65 191 65 parsed_2k65 1
61 U64 193 1 193 1 parsed_2k65 1
62 *delta* 197 67 197 67 parsed_2k65 1
63 *nu1* 202 67 202 67 parsed_2k65 1
64 *nu2* 207 65 207 65 parsed_2k65 1
65 C65 209 1 209 1 parsed_2k65 1
66 *delta* 213 67 213 67 parsed_2k65 1
67 *nu1* 218 67 218 67 parsed_2k65 1
68 *nu2* 223 65 223 65 parsed_2k65 1
stop_
save_
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