NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
496763 |
2ku3   |
16721 | cing | 2-parsed | STAR | dihedral angle | 56 |
data_2ku3_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2ku3
_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_2ku3 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2ku3
_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 2ku3 "Master copy" parsed_2ku3
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2ku3
_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 2ku3.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2ku3 1
1 2ku3.mr . . XPLOR/CNS 2 distance NOE simple 968 parsed_2ku3 1
1 2ku3.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 56 parsed_2ku3 1
1 2ku3.mr . . XPLOR/CNS 4 distance "general distance" simple 0 parsed_2ku3 1
1 2ku3.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 0 parsed_2ku3 1
1 2ku3.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2ku3 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2ku3
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165 -105 . . 8 . c . 9 . n . 9 . ca . 9 . c parsed_2ku3 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112 192 . . 9 . n . 9 . ca . 9 . c . 10 . n parsed_2ku3 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -116 -56 . . 11 . c . 12 . n . 12 . ca . 12 . c parsed_2ku3 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60 0 . . 12 . n . 12 . ca . 12 . c . 13 . n parsed_2ku3 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -163 -83 . . 14 . c . 15 . n . 15 . ca . 15 . c parsed_2ku3 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114 194 . . 15 . n . 15 . ca . 15 . c . 16 . n parsed_2ku3 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -166 -46 . . 18 . c . 19 . n . 19 . ca . 19 . c parsed_2ku3 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 138 198 . . 19 . n . 19 . ca . 19 . c . 20 . n parsed_2ku3 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95 -35 . . 19 . c . 20 . n . 20 . ca . 20 . c parsed_2ku3 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55 5 . . 20 . n . 20 . ca . 20 . c . 21 . n parsed_2ku3 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115 -55 . . 20 . c . 21 . n . 21 . ca . 21 . c parsed_2ku3 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40 20 . . 21 . n . 21 . ca . 21 . c . 22 . n parsed_2ku3 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135 -55 . . 23 . c . 24 . n . 24 . ca . 24 . c parsed_2ku3 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 97 157 . . 24 . n . 24 . ca . 24 . c . 25 . n parsed_2ku3 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156 -76 . . 24 . c . 25 . n . 25 . ca . 25 . c parsed_2ku3 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 93 193 . . 25 . n . 25 . ca . 25 . c . 26 . n parsed_2ku3 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145 -85 . . 25 . c . 26 . n . 26 . ca . 26 . c parsed_2ku3 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90 170 . . 26 . n . 26 . ca . 26 . c . 27 . n parsed_2ku3 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 -60 . . 26 . c . 27 . n . 27 . ca . 27 . c parsed_2ku3 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169 -89 . . 27 . n . 27 . ca . 27 . c . 28 . n parsed_2ku3 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -118 -18 . . 27 . c . 28 . n . 28 . ca . 28 . c parsed_2ku3 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74 6 . . 28 . n . 28 . ca . 28 . c . 29 . n parsed_2ku3 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145 -85 . . 32 . c . 33 . n . 33 . ca . 33 . c parsed_2ku3 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90 170 . . 33 . n . 33 . ca . 33 . c . 34 . n parsed_2ku3 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175 -55 . . 33 . c . 34 . n . 34 . ca . 34 . c parsed_2ku3 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 134 194 . . 34 . n . 34 . ca . 34 . c . 35 . n parsed_2ku3 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92 -32 . . 35 . c . 36 . n . 36 . ca . 36 . c parsed_2ku3 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77 -17 . . 36 . n . 36 . ca . 36 . c . 37 . n parsed_2ku3 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88 -28 . . 36 . c . 37 . n . 37 . ca . 37 . c parsed_2ku3 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70 -10 . . 37 . n . 37 . ca . 37 . c . 38 . n parsed_2ku3 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -103 -43 . . 37 . c . 38 . n . 38 . ca . 38 . c parsed_2ku3 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61 -1 . . 38 . n . 38 . ca . 38 . c . 39 . n parsed_2ku3 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133 -73 . . 38 . c . 39 . n . 39 . ca . 39 . c parsed_2ku3 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42 18 . . 39 . n . 39 . ca . 39 . c . 40 . n parsed_2ku3 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -147 -47 . . 40 . c . 41 . n . 41 . ca . 41 . c parsed_2ku3 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100 160 . . 41 . n . 41 . ca . 41 . c . 42 . n parsed_2ku3 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150 -50 . . 43 . c . 44 . n . 44 . ca . 44 . c parsed_2ku3 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 73 173 . . 44 . n . 44 . ca . 44 . c . 45 . n parsed_2ku3 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -121 -41 . . 47 . c . 48 . n . 48 . ca . 48 . c parsed_2ku3 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155 -95 . . 48 . n . 48 . ca . 48 . c . 49 . n parsed_2ku3 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 -40 . . 48 . c . 49 . n . 49 . ca . 49 . c parsed_2ku3 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100 160 . . 49 . n . 49 . ca . 49 . c . 50 . n parsed_2ku3 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -70 . . 49 . c . 50 . n . 50 . ca . 50 . c parsed_2ku3 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103 183 . . 50 . n . 50 . ca . 50 . c . 51 . n parsed_2ku3 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156 -36 . . 50 . c . 51 . n . 51 . ca . 51 . c parsed_2ku3 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 142 202 . . 51 . n . 51 . ca . 51 . c . 52 . n parsed_2ku3 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 51 . c . 52 . n . 52 . ca . 52 . c parsed_2ku3 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58 -18 . . 52 . n . 52 . ca . 52 . c . 53 . n parsed_2ku3 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85 -45 . . 52 . c . 53 . n . 53 . ca . 53 . c parsed_2ku3 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62 -22 . . 53 . n . 53 . ca . 53 . c . 54 . n parsed_2ku3 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81 -41 . . 53 . c . 54 . n . 54 . ca . 54 . c parsed_2ku3 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -25 . . 54 . n . 54 . ca . 54 . c . 55 . n parsed_2ku3 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83 -53 . . 55 . c . 56 . n . 56 . ca . 56 . c parsed_2ku3 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51 -1 . . 56 . n . 56 . ca . 56 . c . 57 . n parsed_2ku3 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82 -52 . . 56 . c . 57 . n . 57 . ca . 57 . c parsed_2ku3 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59 -9 . . 57 . n . 57 . ca . 57 . c . 58 . n parsed_2ku3 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 "! V9" 1 3 1 11 parsed_2ku3 1
2 "! V9" 4 3 4 11 parsed_2ku3 1
3 "! i12" 9 3 9 12 parsed_2ku3 1
4 "! i12" 12 2 12 12 parsed_2ku3 1
5
;
!d15, 2cycle plus
! d15
;
16 1 18 12 parsed_2ku3 1
6 "! d15" 21 2 21 12 parsed_2ku3 1
7 "! q19" 26 3 26 12 parsed_2ku3 1
8 "! q19" 29 3 29 12 parsed_2ku3 1
9
;
!n20, 2cycle plus
! n20
;
33 1 35 12 parsed_2ku3 1
10 "! n20" 38 3 38 12 parsed_2ku3 1
11 "! s21" 43 3 43 12 parsed_2ku3 1
12 "! s21" 46 3 46 12 parsed_2ku3 1
13 "! i24" 53 3 53 12 parsed_2ku3 1
14 "! i24" 56 3 56 12 parsed_2ku3 1
15 "! l25" 63 3 63 12 parsed_2ku3 1
16 "! l25" 66 3 66 12 parsed_2ku3 1
17 "! f26" 71 3 71 12 parsed_2ku3 1
18 "! f26" 74 3 74 12 parsed_2ku3 1
19 "! c27" 79 3 79 12 parsed_2ku3 1
20 "! c27" 82 3 82 12 parsed_2ku3 1
21
;
!d28, 2cycle plus
! d28
;
86 1 87 12 parsed_2ku3 1
22 "! d28" 90 3 90 12 parsed_2ku3 1
23 "! a33" 95 3 95 12 parsed_2ku3 1
24 "! a33" 98 3 98 12 parsed_2ku3 1
25 "! v34" 103 3 103 12 parsed_2ku3 1
26 "! v34" 106 3 106 12 parsed_2ku3 1
27 "! q36" 112 3 112 12 parsed_2ku3 1
28 "! q36" 115 3 115 12 parsed_2ku3 1
29 "! e37" 120 3 120 12 parsed_2ku3 1
30 "! e37" 123 3 123 12 parsed_2ku3 1
31 "! c38" 129 3 129 12 parsed_2ku3 1
32 "! c38" 132 3 132 12 parsed_2ku3 1
33 "! y39" 139 3 139 12 parsed_2ku3 1
34 "! y39" 142 3 142 12 parsed_2ku3 1
35 "! v41" 147 3 147 12 parsed_2ku3 1
36 "! v41" 150 3 150 12 parsed_2ku3 1
37 "! i44" 156 3 156 12 parsed_2ku3 1
38 "! i44" 159 3 159 12 parsed_2ku3 1
39 "! q48" 164 3 164 12 parsed_2ku3 1
40 "! q48" 167 3 167 12 parsed_2ku3 1
41 "! w49" 173 3 173 12 parsed_2ku3 1
42 "! w49" 176 3 176 12 parsed_2ku3 1
43 "! l50" 181 3 181 12 parsed_2ku3 1
44 "! l50" 184 3 184 12 parsed_2ku3 1
45 "! c51" 189 3 189 12 parsed_2ku3 1
46 "! c51" 192 3 192 12 parsed_2ku3 1
47 "! r52" 198 3 198 12 parsed_2ku3 1
48 "! r52" 201 3 201 12 parsed_2ku3 1
49 "! h53" 206 3 206 12 parsed_2ku3 1
50 "! h53" 209 3 209 12 parsed_2ku3 1
51 "! c54" 214 3 214 12 parsed_2ku3 1
52 "! c54" 217 3 217 12 parsed_2ku3 1
53 "! q56" 222 3 222 12 parsed_2ku3 1
54 "! q56" 225 3 225 12 parsed_2ku3 1
55 "! s57" 230 3 230 12 parsed_2ku3 1
56 "! s57" 233 3 233 12 parsed_2ku3 1
stop_
save_
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