NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
29877 |
1bhu   |
4217 | cing | 2-parsed | STAR | dihedral angle | 52 |
data_1bhu_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1bhu
_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_1bhu 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1bhu
_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 1bhu "Master copy" parsed_1bhu
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1bhu
_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 1bhu.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1bhu 1
1 1bhu.mr . . XPLOR/CNS 2 distance NOE simple 1443 parsed_1bhu 1
1 1bhu.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 64 parsed_1bhu 1
1 1bhu.mr . . XPLOR/CNS 4 distance NOE simple 23 parsed_1bhu 1
1 1bhu.mr . . XPLOR/CNS 5 distance "disulfide bond" simple 6 parsed_1bhu 1
1 1bhu.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 52 parsed_1bhu 1
1 1bhu.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1bhu 1
stop_
save_
save_CNS/XPLOR_dihedral_6
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1bhu
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 6
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 3 . c . 4 . n . 4 . ca . 4 . c parsed_1bhu 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 7 . c . 8 . n . 8 . ca . 8 . c parsed_1bhu 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 9 . c . 10 . n . 10 . ca . 10 . c parsed_1bhu 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 10 . c . 11 . n . 11 . ca . 11 . c parsed_1bhu 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 11 . c . 12 . n . 12 . ca . 12 . c parsed_1bhu 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 17 . c . 18 . n . 18 . ca . 18 . c parsed_1bhu 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 20 . c . 21 . n . 21 . ca . 21 . c parsed_1bhu 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 21 . c . 22 . n . 22 . ca . 22 . c parsed_1bhu 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 23 . c . 24 . n . 24 . ca . 24 . c parsed_1bhu 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 27 . c . 28 . n . 28 . ca . 28 . c parsed_1bhu 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 30 . c . 31 . n . 31 . ca . 31 . c parsed_1bhu 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 36 . c . 37 . n . 37 . ca . 37 . c parsed_1bhu 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 38 . c . 39 . n . 39 . ca . 39 . c parsed_1bhu 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -30.0 . . 41 . c . 42 . n . 42 . ca . 42 . c parsed_1bhu 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 46 . c . 47 . n . 47 . ca . 47 . c parsed_1bhu 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 48 . c . 49 . n . 49 . ca . 49 . c parsed_1bhu 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -20.0 . . 51 . c . 52 . n . 52 . ca . 52 . c parsed_1bhu 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 53 . c . 54 . n . 54 . ca . 54 . c parsed_1bhu 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 54 . c . 55 . n . 55 . ca . 55 . c parsed_1bhu 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 61 . c . 62 . n . 62 . ca . 62 . c parsed_1bhu 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 62 . c . 63 . n . 63 . ca . 63 . c parsed_1bhu 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 63 . c . 64 . n . 64 . ca . 64 . c parsed_1bhu 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 64 . c . 65 . n . 65 . ca . 65 . c parsed_1bhu 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 68 . c . 69 . n . 69 . ca . 69 . c parsed_1bhu 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 69 . c . 70 . n . 70 . ca . 70 . c parsed_1bhu 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 72 . c . 73 . n . 73 . ca . 73 . c parsed_1bhu 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 74 . c . 75 . n . 75 . ca . 75 . c parsed_1bhu 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 76 . c . 77 . n . 77 . ca . 77 . c parsed_1bhu 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 77 . c . 78 . n . 78 . ca . 78 . c parsed_1bhu 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 78 . c . 79 . n . 79 . ca . 79 . c parsed_1bhu 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 83 . c . 84 . n . 84 . ca . 84 . c parsed_1bhu 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -25.0 . . 84 . c . 85 . n . 85 . ca . 85 . c parsed_1bhu 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 93 . c . 94 . n . 94 . ca . 94 . c parsed_1bhu 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 94 . c . 95 . n . 95 . ca . 95 . c parsed_1bhu 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 95 . c . 96 . n . 96 . ca . 96 . c parsed_1bhu 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 99 . c . 100 . n . 100 . ca . 100 . c parsed_1bhu 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 8 . n . 8 . ca . 8 . cb . 8 . og parsed_1bhu 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 12 . n . 12 . ca . 12 . cb . 12 . cg parsed_1bhu 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 13 . n . 13 . ca . 13 . cb . 13 . og parsed_1bhu 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 21 . n . 21 . ca . 21 . cb . 21 . cg parsed_1bhu 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 28 . n . 28 . ca . 28 . cb . 28 . cg parsed_1bhu 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 35 . n . 35 . ca . 35 . cb . 35 . cg parsed_1bhu 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 46 . n . 46 . ca . 46 . cb . 46 . cg parsed_1bhu 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 48 . n . 48 . ca . 48 . cb . 48 . cg parsed_1bhu 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.0 110.0 . . 54 . n . 54 . ca . 54 . cb . 54 . cg parsed_1bhu 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 55 . n . 55 . ca . 55 . cb . 55 . cg parsed_1bhu 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 70 . n . 70 . ca . 70 . cb . 70 . cg parsed_1bhu 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 71 . n . 71 . ca . 71 . cb . 71 . cg parsed_1bhu 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 72 . n . 72 . ca . 72 . cb . 72 . cg parsed_1bhu 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 84 . n . 84 . ca . 84 . cb . 84 . cg parsed_1bhu 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 85 . n . 85 . ca . 85 . cb . 85 . cg parsed_1bhu 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 99 . n . 99 . ca . 99 . cb . 99 . cg parsed_1bhu 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
;
angle restraints
1997.05.13 Shin-ichi Tate
! phi torsion constraints
! CYSS4
;
1 1 5 16 parsed_1bhu 1
2 "! S8" 8 1 8 13 parsed_1bhu 1
3 "! CYSS10" 11 1 11 16 parsed_1bhu 1
4 "! T11" 14 1 14 13 parsed_1bhu 1
5 "! Y12" 16 78 17 13 parsed_1bhu 1
6 "! S18" 20 1 20 13 parsed_1bhu 1
7 "! R21" 23 1 23 13 parsed_1bhu 1
8 "! T22" 26 1 26 13 parsed_1bhu 1
9 "! I24" 29 1 29 13 parsed_1bhu 1
10 "! D28" 32 1 32 13 parsed_1bhu 1
11 "! K31" 35 1 35 13 parsed_1bhu 1
12 "! V37" 38 1 38 13 parsed_1bhu 1
13 "! L39" 41 1 41 12 parsed_1bhu 1
14 "! S42" 43 78 44 12 parsed_1bhu 1
15 "! A47" 46 78 47 13 parsed_1bhu 1
16 "! G49" 50 1 50 13 parsed_1bhu 1
17 "! F52" 53 1 53 13 parsed_1bhu 1
18 "! L54" 55 78 56 13 parsed_1bhu 1
19 "! R55" 59 1 59 13 parsed_1bhu 1
20 "! V62" 61 78 62 13 parsed_1bhu 1
21 "! T63" 65 1 65 13 parsed_1bhu 1
22 "! CYSS64" 68 1 68 16 parsed_1bhu 1
23 "! V65" 71 1 71 13 parsed_1bhu 1
24 "! CYSS69" 74 1 74 16 parsed_1bhu 1
25 "! Y70" 77 1 77 13 parsed_1bhu 1
26 "! A73" 80 1 80 13 parsed_1bhu 1
27 "! V75" 83 1 83 13 parsed_1bhu 1
28 "! K77" 86 1 86 13 parsed_1bhu 1
29 "! V78" 89 1 89 13 parsed_1bhu 1
30 "! A79" 92 1 92 13 parsed_1bhu 1
31 "! L84" 95 1 95 13 parsed_1bhu 1
32 "! R85" 98 1 98 13 parsed_1bhu 1
33 "! V94" 100 78 101 13 parsed_1bhu 1
34 "! T95" 104 1 104 13 parsed_1bhu 1
35 "! V96" 107 1 107 13 parsed_1bhu 1
36 "! L100" 110 1 110 13 parsed_1bhu 1
37
;
! chi1 torsion constraints
! S8
;
113 1 114 11 parsed_1bhu 1
38
;
! C10
assign (resid 10 and name n ) (resid 10 and name ca )
(resid 10 and name cb ) (resid 10 and name sg ) 1.0 -60.0 50.0 2 !
! Y12
;
117 1 120 12 parsed_1bhu 1
39 "! S13" 123 1 123 12 parsed_1bhu 1
40 "! R21" 126 1 126 12 parsed_1bhu 1
41 "! D28" 129 1 129 12 parsed_1bhu 1
42 "! D35" 132 1 132 12 parsed_1bhu 1
43 "! F46" 135 1 135 12 parsed_1bhu 1
44 "! N48" 138 1 138 12 parsed_1bhu 1
45 "! L54" 140 80 141 12 parsed_1bhu 1
46 "! R55" 143 80 144 12 parsed_1bhu 1
47 "! Y70" 147 1 147 12 parsed_1bhu 1
48 "! Q71" 150 1 150 12 parsed_1bhu 1
49 "! Y72" 153 1 153 12 parsed_1bhu 1
50 "! L84" 156 1 156 12 parsed_1bhu 1
51 "! R85" 159 1 159 12 parsed_1bhu 1
52 "! D99" 162 1 162 12 parsed_1bhu 1
stop_
save_
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