NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
519127 |
2l43   |
17244 | cing | 2-parsed | STAR | dihedral angle | 62 |
data_2l43_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2l43
_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_2l43 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2l43
_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 2l43 "Master copy" parsed_2l43
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2l43
_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 2l43.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2l43 1
1 2l43.mr . . XPLOR/CNS 2 distance NOE simple 1201 parsed_2l43 1
1 2l43.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 62 parsed_2l43 1
1 2l43.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 0 parsed_2l43 1
1 2l43.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2l43 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2l43
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169 -109 . . 2 . c . 3 . n . 3 . ca . 3 . c parsed_2l43 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 165 . . 3 . n . 3 . ca . 3 . c . 4 . n parsed_2l43 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169 -109 . . 3 . c . 4 . n . 4 . ca . 4 . c parsed_2l43 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 165 . . 4 . n . 4 . ca . 4 . c . 5 . n parsed_2l43 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169 -109 . . 4 . c . 5 . n . 5 . ca . 5 . c parsed_2l43 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 165 . . 5 . n . 5 . ca . 5 . c . 6 . n parsed_2l43 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169 -109 . . 5 . c . 6 . n . 6 . ca . 6 . c parsed_2l43 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 165 . . 6 . n . 6 . ca . 6 . c . 7 . n parsed_2l43 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165 -105 . . 26 . c . 27 . n . 27 . ca . 27 . c parsed_2l43 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112 192 . . 27 . n . 27 . ca . 27 . c . 28 . n parsed_2l43 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -116 -56 . . 29 . c . 30 . n . 30 . ca . 30 . c parsed_2l43 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60 0 . . 30 . n . 30 . ca . 30 . c . 31 . n parsed_2l43 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -90 . . 40 . c . 41 . n . 41 . ca . 41 . c parsed_2l43 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104 164 . . 41 . n . 41 . ca . 41 . c . 42 . n parsed_2l43 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -167 -87 . . 41 . c . 42 . n . 42 . ca . 42 . c parsed_2l43 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112 172 . . 42 . n . 42 . ca . 42 . c . 43 . n parsed_2l43 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -176 -96 . . 42 . c . 43 . n . 43 . ca . 43 . c parsed_2l43 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96 176 . . 43 . n . 43 . ca . 43 . c . 44 . n parsed_2l43 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -134 -54 . . 43 . c . 44 . n . 44 . ca . 44 . c parsed_2l43 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 80 160 . . 44 . n . 44 . ca . 44 . c . 45 . n parsed_2l43 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 -60 . . 44 . c . 45 . n . 45 . ca . 45 . c parsed_2l43 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89 169 . . 45 . n . 45 . ca . 45 . c . 46 . n parsed_2l43 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -108 -28 . . 45 . c . 46 . n . 46 . ca . 46 . c parsed_2l43 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64 16 . . 46 . n . 46 . ca . 46 . c . 47 . n parsed_2l43 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130 -70 . . 46 . c . 47 . n . 47 . ca . 47 . c parsed_2l43 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30 30 . . 47 . n . 47 . ca . 47 . c . 48 . n parsed_2l43 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190 -130 . . 47 . c . 48 . n . 48 . ca . 48 . c parsed_2l43 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 190 . . 48 . n . 48 . ca . 48 . c . 49 . n parsed_2l43 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110 -50 . . 48 . c . 49 . n . 49 . ca . 49 . c parsed_2l43 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40 20 . . 49 . n . 49 . ca . 49 . c . 50 . n parsed_2l43 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145 -85 . . 50 . c . 51 . n . 51 . ca . 51 . c parsed_2l43 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90 170 . . 51 . n . 51 . ca . 51 . c . 52 . n parsed_2l43 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145 -85 . . 51 . c . 52 . n . 52 . ca . 52 . c parsed_2l43 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 134 194 . . 52 . n . 52 . ca . 52 . c . 53 . n parsed_2l43 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92 -32 . . 53 . c . 54 . n . 54 . ca . 54 . c parsed_2l43 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77 -17 . . 54 . n . 54 . ca . 54 . c . 55 . n parsed_2l43 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88 -28 . . 54 . c . 55 . n . 55 . ca . 55 . c parsed_2l43 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70 -10 . . 55 . n . 55 . ca . 55 . c . 56 . n parsed_2l43 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -103 -43 . . 55 . c . 56 . n . 56 . ca . 56 . c parsed_2l43 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61 -1 . . 56 . n . 56 . ca . 56 . c . 57 . n parsed_2l43 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133 -73 . . 56 . c . 57 . n . 57 . ca . 57 . c parsed_2l43 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42 18 . . 57 . n . 57 . ca . 57 . c . 58 . n parsed_2l43 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -147 -47 . . 58 . c . 59 . n . 59 . ca . 59 . c parsed_2l43 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100 160 . . 59 . n . 59 . ca . 59 . c . 60 . n parsed_2l43 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150 -50 . . 61 . c . 62 . n . 62 . ca . 62 . c parsed_2l43 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 73 173 . . 62 . n . 62 . ca . 62 . c . 63 . n parsed_2l43 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 -40 . . 66 . c . 67 . n . 67 . ca . 67 . c parsed_2l43 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100 160 . . 67 . n . 67 . ca . 67 . c . 68 . n parsed_2l43 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -70 . . 67 . c . 68 . n . 68 . ca . 68 . c parsed_2l43 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103 183 . . 68 . n . 68 . ca . 68 . c . 69 . n parsed_2l43 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156 -36 . . 68 . c . 69 . n . 69 . ca . 69 . c parsed_2l43 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 142 202 . . 69 . n . 69 . ca . 69 . c . 70 . n parsed_2l43 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 69 . c . 70 . n . 70 . ca . 70 . c parsed_2l43 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58 -18 . . 70 . n . 70 . ca . 70 . c . 71 . n parsed_2l43 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85 -45 . . 70 . c . 71 . n . 71 . ca . 71 . c parsed_2l43 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62 -22 . . 71 . n . 71 . ca . 71 . c . 72 . n parsed_2l43 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81 -41 . . 71 . c . 72 . n . 72 . ca . 72 . c parsed_2l43 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -25 . . 72 . n . 72 . ca . 72 . c . 73 . n parsed_2l43 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83 -53 . . 73 . c . 74 . n . 74 . ca . 74 . c parsed_2l43 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51 -1 . . 74 . n . 74 . ca . 74 . c . 75 . n parsed_2l43 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82 -52 . . 74 . c . 75 . n . 75 . ca . 75 . c parsed_2l43 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59 -9 . . 75 . n . 75 . ca . 75 . c . 76 . n parsed_2l43 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 T3 1 1 1 4 parsed_2l43 1
2 K4 9 1 9 4 parsed_2l43 1
3 Q5 17 1 17 4 parsed_2l43 1
4 T6 24 1 24 4 parsed_2l43 1
5
;
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
V9
;
33 1 35 4 parsed_2l43 1
6 "! i12" 42 3 42 12 parsed_2l43 1
7
;
! d15
assign (resid 32 and name c ) (resid 33 and name n )
(resid 33 and name ca) (resid 33 and name c ) 1 -123 40 2
assign (resid 33 and name n ) (resid 33 and name ca)
(resid 33 and name c ) (resid 34 and name n ) 1 154 40 2
! q19
assign (resid 36 and name c ) (resid 37 and name n )
(resid 37 and name ca) (resid 37 and name c ) 1 -106 60 2
assign (resid 37 and name n ) (resid 37 and name ca)
(resid 37 and name c ) (resid 38 and name n ) 1 168 30 2
! n20
assign (resid 37 and name c ) (resid 38 and name n )
(resid 38 and name ca) (resid 38 and name c ) 1 -65 30 2
assign (resid 38 and name n ) (resid 38 and name ca)
(resid 38 and name c ) (resid 39 and name n ) 1 -25 30 2
! s21
assign (resid 38 and name c ) (resid 39 and name n )
(resid 39 and name ca) (resid 39 and name c ) 1 -85 30 2
assign (resid 39 and name n ) (resid 39 and name ca)
(resid 39 and name c ) (resid 40 and name n ) 1 -10 30 2
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
! n22
assign (resid 39 and name c ) (resid 40 and name n )
(resid 40 and name ca) (resid 40 and name c ) 1 -110 30 2
assign (resid 40 and name n ) (resid 40 and name ca)
(resid 40 and name c ) (resid 41 and name n ) 1 135 30 2
! v23
;
50 3 91 10 parsed_2l43 1
8 "! i24" 101 1 101 10 parsed_2l43 1
9 "! l25" 108 3 108 12 parsed_2l43 1
10 "! f26" 115 3 115 12 parsed_2l43 1
11
;
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
! c27
;
124 1 127 12 parsed_2l43 1
12 "! d28" 135 2 135 11 parsed_2l43 1
13 "! m29" 143 2 143 11 parsed_2l43 1
14 "! c30" 151 2 151 11 parsed_2l43 1
15 "! n31" 159 2 159 11 parsed_2l43 1
16 "! a33" 168 3 168 12 parsed_2l43 1
17 "! v34" 175 3 175 12 parsed_2l43 1
18 "! q36" 182 3 182 12 parsed_2l43 1
19 "! e37" 189 3 189 12 parsed_2l43 1
20 "! c38" 196 3 196 12 parsed_2l43 1
21 "! y39" 203 3 203 12 parsed_2l43 1
22 "! v41" 210 3 210 12 parsed_2l43 1
23 "! i44" 217 3 217 12 parsed_2l43 1
24
;
! q48
assign (resid 65 and name c ) (resid 66 and name n )
(resid 66 and name ca) (resid 66 and name c ) 1 -81 40 2
assign (resid 66 and name n ) (resid 66 and name ca)
(resid 66 and name c ) (resid 67 and name n ) 1 -125 30 2
! w49
;
224 3 231 12 parsed_2l43 1
25 "! l50" 238 3 238 12 parsed_2l43 1
stop_
save_
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