Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
281713 | 2kht RC | 16254 | cing | 2-parsed | STAR | dihedral angle | 52 |
data_2kht_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2kht
_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_2kht 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2kht
_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 2kht "Master copy" parsed_2kht
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2kht
_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 2kht.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kht 1
1 2kht.mr . . XPLOR/CNS 2 distance "disulfide bond" simple 3 parsed_2kht 1
1 2kht.mr . . XPLOR/CNS 3 distance "general distance" simple 129 parsed_2kht 1
1 2kht.mr . . XPLOR/CNS 4 distance "general distance" ambi 141 parsed_2kht 1
1 2kht.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 52 parsed_2kht 1
1 2kht.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kht 1
stop_
save_
save_CNS/XPLOR_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2kht
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 5
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -161.0 -101.0 . . 1 . c . 2 . n . 2 . ca . 2 . c parsed_2kht 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.2 -93.2 . . 2 . c . 3 . n . 3 . ca . 3 . c parsed_2kht 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.7 -89.7 . . 3 . c . 4 . n . 4 . ca . 4 . c parsed_2kht 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -161.9 -101.9 . . 4 . c . 5 . n . 5 . ca . 5 . c parsed_2kht 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -105.0 . . 5 . c . 6 . n . 6 . ca . 6 . c parsed_2kht 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -218.9 -51.1 . . 6 . c . 7 . n . 7 . ca . 7 . c parsed_2kht 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -171.1 -111.1 . . 7 . c . 8 . n . 8 . ca . 8 . c parsed_2kht 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -199.7 -54.5 . . 8 . c . 9 . n . 9 . ca . 9 . c parsed_2kht 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.4 -70.4 . . 9 . c . 10 . n . 10 . ca . 10 . c parsed_2kht 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101.8 -41.8 . . 10 . c . 11 . n . 11 . ca . 11 . c parsed_2kht 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 53.2 113.2 . . 11 . c . 12 . n . 12 . ca . 12 . c parsed_2kht 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -162.1 -102.1 . . 12 . c . 13 . n . 13 . ca . 13 . c parsed_2kht 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.0 -104.0 . . 13 . c . 14 . n . 14 . ca . 14 . c parsed_2kht 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -129.0 -69.0 . . 14 . c . 15 . n . 15 . ca . 15 . c parsed_2kht 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.2 -86.2 . . 15 . c . 16 . n . 16 . ca . 16 . c parsed_2kht 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -205.8 -35.4 . . 16 . c . 17 . n . 17 . ca . 17 . c parsed_2kht 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.5 -79.5 . . 17 . c . 18 . n . 18 . ca . 18 . c parsed_2kht 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -161.6 -101.6 . . 18 . c . 19 . n . 19 . ca . 19 . c parsed_2kht 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -128.8 -68.8 . . 19 . c . 20 . n . 20 . ca . 20 . c parsed_2kht 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -186.7 -32.1 . . 20 . c . 21 . n . 21 . ca . 21 . c parsed_2kht 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.8 80.8 . . 21 . c . 22 . n . 22 . ca . 22 . c parsed_2kht 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 49.3 109.3 . . 22 . c . 23 . n . 23 . ca . 23 . c parsed_2kht 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.2 -93.2 . . 23 . c . 24 . n . 24 . ca . 24 . c parsed_2kht 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -137.6 -77.6 . . 24 . c . 25 . n . 25 . ca . 25 . c parsed_2kht 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136.0 -76.0 . . 25 . c . 26 . n . 26 . ca . 26 . c parsed_2kht 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -119.8 -59.8 . . 26 . c . 27 . n . 27 . ca . 27 . c parsed_2kht 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.7 -81.7 . . 27 . c . 28 . n . 28 . ca . 28 . c parsed_2kht 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156.1 -96.1 . . 28 . c . 29 . n . 29 . ca . 29 . c parsed_2kht 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 124.9 184.9 . . 2 . n . 2 . ca . 2 . c . 3 . n parsed_2kht 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 71.1 188.5 . . 3 . n . 3 . ca . 3 . c . 4 . n parsed_2kht 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.7 172.7 . . 4 . n . 4 . ca . 4 . c . 5 . n parsed_2kht 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.6 171.6 . . 5 . n . 5 . ca . 5 . c . 6 . n parsed_2kht 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.7 177.7 . . 6 . n . 6 . ca . 6 . c . 7 . n parsed_2kht 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.6 324.4 . . 7 . n . 7 . ca . 7 . c . 8 . n parsed_2kht 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.7 192.5 . . 8 . n . 8 . ca . 8 . c . 9 . n parsed_2kht 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.3 182.3 . . 13 . n . 13 . ca . 13 . c . 14 . n parsed_2kht 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.2 177.2 . . 14 . n . 14 . ca . 14 . c . 15 . n parsed_2kht 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 94.2 154.2 . . 15 . n . 15 . ca . 15 . c . 16 . n parsed_2kht 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -36.8 323.2 . . 16 . n . 16 . ca . 16 . c . 17 . n parsed_2kht 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.1 314.9 . . 17 . n . 17 . ca . 17 . c . 18 . n parsed_2kht 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.8 163.8 . . 18 . n . 18 . ca . 18 . c . 19 . n parsed_2kht 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 119.1 179.1 . . 19 . n . 19 . ca . 19 . c . 20 . n parsed_2kht 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 97.5 157.5 . . 20 . n . 20 . ca . 20 . c . 21 . n parsed_2kht 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 86.6 146.6 . . 21 . n . 21 . ca . 21 . c . 22 . n parsed_2kht 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 13.0 73.0 . . 22 . n . 22 . ca . 22 . c . 23 . n parsed_2kht 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -26.7 33.3 . . 23 . n . 23 . ca . 23 . c . 24 . n parsed_2kht 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.4 181.4 . . 24 . n . 24 . ca . 24 . c . 25 . n parsed_2kht 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.4 161.4 . . 25 . n . 25 . ca . 25 . c . 26 . n parsed_2kht 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.2 169.2 . . 26 . n . 26 . ca . 26 . c . 27 . n parsed_2kht 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.9 155.9 . . 27 . n . 27 . ca . 27 . c . 28 . n parsed_2kht 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104.7 164.7 . . 28 . n . 28 . ca . 28 . c . 29 . n parsed_2kht 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 124.4 184.4 . . 29 . n . 29 . ca . 29 . c . 30 . n parsed_2kht 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 restraints: minimum deviation = 30 degrees
! 2
;
2 1 5 10 parsed_2kht 1
2 "! 3" 8 3 8 11 parsed_2kht 1
3 "! 4" 11 3 11 11 parsed_2kht 1
4 "! 5" 14 3 14 11 parsed_2kht 1
5 "! 6" 17 3 17 11 parsed_2kht 1
6 "! 7" 20 3 20 11 parsed_2kht 1
7 "! 8" 23 3 23 11 parsed_2kht 1
8 "! 9" 26 3 26 10 parsed_2kht 1
9 "! 10" 29 3 29 12 parsed_2kht 1
10 "! 11" 32 3 32 12 parsed_2kht 1
11 "! 12" 35 3 35 12 parsed_2kht 1
12 "! 13" 38 3 38 12 parsed_2kht 1
13 "! 14" 41 3 41 11 parsed_2kht 1
14 "! 15" 44 3 44 11 parsed_2kht 1
15 "! 16" 47 3 47 11 parsed_2kht 1
16 "! 17" 50 3 50 12 parsed_2kht 1
17 "! 18" 53 3 53 11 parsed_2kht 1
18 "! 19" 56 3 56 12 parsed_2kht 1
19 "! 20" 59 3 59 12 parsed_2kht 1
20 "! 21" 62 3 62 12 parsed_2kht 1
21 "! 22" 65 3 65 11 parsed_2kht 1
22 "! 23" 68 3 68 11 parsed_2kht 1
23 "! 24" 71 3 71 12 parsed_2kht 1
24 "! 25" 74 3 74 12 parsed_2kht 1
25 "! 26" 77 3 77 12 parsed_2kht 1
26 "! 27" 80 3 80 12 parsed_2kht 1
27 "! 28" 83 3 83 12 parsed_2kht 1
28 "! 29" 86 3 86 11 parsed_2kht 1
29
;
!psi restraints
!2
;
91 1 92 4 parsed_2kht 1
30 !3 95 1 95 4 parsed_2kht 1
31 !4 98 1 98 4 parsed_2kht 1
32 !5 101 1 101 4 parsed_2kht 1
33 !6 104 1 104 4 parsed_2kht 1
34 !7 107 1 107 4 parsed_2kht 1
35 !8 110 1 110 4 parsed_2kht 1
36
;
!9
assign (resid 9 and name n) (resid 9 and name ca)
(resid 9 and name c) (resid 10 and name n) 1.0 150.2 30 2
!10
assign (resid 10 and name n) (resid 10 and name ca)
(resid 10 and name c) (resid 11 and name n) 1.0 158.9 40 2
!11
assign (resid 11 and name n) (resid 11 and name ca)
(resid 11 and name c) (resid 12 and name n) 1.0 147.0 30 2
!12
assign (resid 12 and name n) (resid 12 and name ca)
(resid 12 and name c) (resid 13 and name n) 1.0 22.6 30 2
!13
;
113 1 125 5 parsed_2kht 1
37 !14 128 1 128 5 parsed_2kht 1
38 !15 131 1 131 5 parsed_2kht 1
39 !16 134 1 134 5 parsed_2kht 1
40 !17 137 1 137 5 parsed_2kht 1
41 !18 140 1 140 5 parsed_2kht 1
42 !19 143 1 143 5 parsed_2kht 1
43 !20 146 1 146 5 parsed_2kht 1
44 !21 149 1 149 5 parsed_2kht 1
45 !22 152 1 152 5 parsed_2kht 1
46 !23 155 1 155 5 parsed_2kht 1
47 !24 158 1 158 5 parsed_2kht 1
48 !25 161 1 161 5 parsed_2kht 1
49 !26 164 1 164 5 parsed_2kht 1
50 !27 167 1 167 5 parsed_2kht 1
51 !28 170 1 170 5 parsed_2kht 1
52 !29 173 1 173 5 parsed_2kht 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 "#HNP1_dih_080809.tbl" 1 1 1 20 parsed_2kht 1
stop_
save_