NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
52924 |
2odg   |
cing | 2-parsed | STAR | dihedral angle | 58 |
data_2odg_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2odg
_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_2odg 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2odg
_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 2odg "Master copy" parsed_2odg
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2odg
_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 2odg.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2odg 1
1 2odg.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_2odg 1
1 2odg.mr . . XPLOR/CNS 3 distance NOE simple 122 parsed_2odg 1
1 2odg.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_2odg 1
1 2odg.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 58 parsed_2odg 1
1 2odg.mr . . XPLOR/CNS 6 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2odg 1
1 2odg.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2odg 1
stop_
save_
save_CNS/XPLOR_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2odg
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -200.0 -40.0 . A 36 . N A 36 . CA A 36 . CB A 36 . CG parsed_2odg 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 90.0 . A 36 . cb A 36 . cg A 36 . cd A 36 . oe1 parsed_2odg 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . A 37 . N A 37 . CA A 37 . CB A 37 . CG parsed_2odg 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -45.0 . A 39 . N A 39 . CA A 39 . CB A 39 . CG parsed_2odg 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 110.0 . A 39 . ca A 39 . cb A 39 . cg A 39 . cd1 parsed_2odg 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . A 48 . N A 48 . CA A 48 . CB A 48 . CG parsed_2odg 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . A 50 . N A 50 . CA A 50 . CB A 50 . CG parsed_2odg 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . A 50 . CA A 50 . CB A 50 . CG A 50 . CD1 parsed_2odg 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . A 51 . N A 51 . CA A 51 . CB A 51 . CG1 parsed_2odg 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . A 52 . N A 52 . CA A 52 . CB A 52 . CG parsed_2odg 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . A 52 . CA A 52 . CB A 52 . CG A 52 . CD1 parsed_2odg 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . A 53 . N A 53 . CA A 53 . CB A 53 . CG parsed_2odg 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . A 55 . N A 55 . CA A 55 . CB A 55 . CG parsed_2odg 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 90.0 . A 55 . CA A 55 . CB A 55 . CG A 55 . OD1 parsed_2odg 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . A 58 . N A 58 . CA A 58 . CB A 58 . CG parsed_2odg 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . A 58 . CA A 58 . CB A 58 . CG A 58 . CD1 parsed_2odg 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . A 62 . N A 62 . CA A 62 . CB A 62 . CG parsed_2odg 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50.0 130.0 . A 62 . ca A 62 . Cb A 62 . Cg A 62 . NE1 parsed_2odg 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -200.0 -40.0 . A 61 . N A 61 . CA A 61 . CB A 61 . CG parsed_2odg 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 90.0 . A 61 . cb A 61 . cg A 61 . cd A 61 . oe1 parsed_2odg 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -200.0 -40.0 . A 65 . N A 65 . CA A 65 . CB A 65 . CG parsed_2odg 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 90.0 . A 65 . ca A 65 . cb A 65 . cg A 65 . od1 parsed_2odg 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -200.0 -40.0 . B 36 . N B 36 . CA B 36 . CB B 36 . CG parsed_2odg 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 90.0 . B 36 . cb B 36 . cg B 36 . cd B 36 . oe1 parsed_2odg 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . B 37 . N B 37 . CA B 37 . CB B 37 . CG parsed_2odg 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -45.0 . B 39 . N B 39 . CA B 39 . CB B 39 . CG parsed_2odg 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 110.0 . B 39 . ca B 39 . cb B 39 . cg B 39 . cd1 parsed_2odg 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -200.0 -40.0 . B 48 . N B 48 . CA B 48 . CB B 48 . CG parsed_2odg 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . B 50 . N B 50 . CA B 50 . CB B 50 . CG parsed_2odg 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . B 50 . CA B 50 . CB B 50 . CG B 50 . CD1 parsed_2odg 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . B 51 . N B 51 . CA B 51 . CB B 51 . CG1 parsed_2odg 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . B 52 . N B 52 . CA B 52 . CB B 52 . CG parsed_2odg 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . B 52 . CA B 52 . CB B 52 . CG B 52 . CD1 parsed_2odg 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . B 53 . N B 53 . CA B 53 . CB B 53 . CG parsed_2odg 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . B 55 . N B 55 . CA B 55 . CB B 55 . CG parsed_2odg 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 90.0 . B 55 . CA B 55 . CB B 55 . CG B 55 . OD1 parsed_2odg 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . B 58 . N B 58 . CA B 58 . CB B 58 . CG parsed_2odg 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . B 58 . CA B 58 . CB B 58 . CG B 58 . CD1 parsed_2odg 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . B 62 . N B 62 . CA B 62 . CB B 62 . CG parsed_2odg 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50.0 130.0 . B 62 . ca B 62 . Cb B 62 . Cg B 62 . NE1 parsed_2odg 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -200.0 -40.0 . B 61 . N B 61 . CA B 61 . CB B 61 . CG parsed_2odg 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 90.0 . B 61 . cb B 61 . cg B 61 . cd B 61 . oe1 parsed_2odg 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -200.0 -40.0 . B 65 . N B 65 . CA B 65 . CB B 65 . CG parsed_2odg 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 90.0 . B 65 . ca B 65 . cb B 65 . cg B 65 . od1 parsed_2odg 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 80.0 . . 209 . n . 209 . ca . 209 . cb . 209 . cg parsed_2odg 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 90.0 . . 209 . ca . 209 . cb . 209 . cg . 209 . od1 parsed_2odg 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 210 . n . 210 . ca . 210 . cb . 210 . og1 parsed_2odg 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 213 . n . 213 . ca . 213 . cb . 213 . og1 parsed_2odg 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -200.00 -40.00 . . 217 . N . 217 . CA . 217 . CB . 217 . CG parsed_2odg 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.00 80.00 . . 226 . N . 226 . CA . 226 . CB . 226 . CG1 parsed_2odg 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 227 . N . 227 . CA . 227 . CB . 227 . CG1 parsed_2odg 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 200.0 . . 229 . N . 229 . CA . 229 . CB . 229 . OG parsed_2odg 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -40.00 . . 230 . N . 230 . CA . 230 . CB . 230 . OG1 parsed_2odg 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.00 200.00 . . 233 . N . 233 . CA . 233 . CB . 233 . CG parsed_2odg 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.00 80.00 . . 233 . CA . 233 . CB . 233 . CG . 233 . CD1 parsed_2odg 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 90.0 . . 235 . cb . 235 . cg . 235 . cd . 235 . oe1 parsed_2odg 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.00 200.00 . . 236 . N . 236 . CA . 236 . CB . 236 . CG parsed_2odg 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -40.00 . . 237 . N . 237 . CA . 237 . CB . 237 . CG parsed_2odg 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 !E36 2 1 2 6 parsed_2odg 1
2 !R37 9 1 9 6 parsed_2odg 1
3 !F39 13 1 13 6 parsed_2odg 1
4 !Q48 19 1 19 6 parsed_2odg 1
5 !L50 24 1 24 6 parsed_2odg 1
6 !V51 31 1 31 6 parsed_2odg 1
7 !L52 36 1 36 6 parsed_2odg 1
8 !K53 42 1 42 6 parsed_2odg 1
9 !D55 46 1 46 6 parsed_2odg 1
10 !L58 53 1 53 6 parsed_2odg 1
11 !W62 59 1 59 6 parsed_2odg 1
12 !E61 66 1 66 6 parsed_2odg 1
13 !D65 72 1 72 6 parsed_2odg 1
14 !E36 81 1 81 6 parsed_2odg 1
15 !R37 88 1 88 6 parsed_2odg 1
16 !F39 92 1 92 6 parsed_2odg 1
17 !Q48 98 1 98 6 parsed_2odg 1
18 !L50 103 1 103 6 parsed_2odg 1
19 !V51 110 1 110 6 parsed_2odg 1
20 !L52 115 1 115 6 parsed_2odg 1
21 !K53 121 1 121 6 parsed_2odg 1
22 !D55 125 1 125 6 parsed_2odg 1
23 !L58 132 1 132 6 parsed_2odg 1
24 !W62 138 1 138 6 parsed_2odg 1
25 !E61 145 1 145 6 parsed_2odg 1
26 !D65 151 1 151 6 parsed_2odg 1
27 D9 162 1 162 4 parsed_2odg 1
28 T10 169 1 169 5 parsed_2odg 1
29 T13 173 1 173 5 parsed_2odg 1
30
;
R17
chi1
;
177 1 178 6 parsed_2odg 1
31
;
V26
chi1
;
182 1 183 6 parsed_2odg 1
32
;
V27
chi1
;
187 1 188 6 parsed_2odg 1
33
;
S29
chi1
;
192 1 193 6 parsed_2odg 1
34
;
T30
chi1
;
197 1 198 6 parsed_2odg 1
35
;
L33
chi1
;
202 1 203 6 parsed_2odg 1
36 E35 209 1 209 5 parsed_2odg 1
37
;
K36
chi1
;
212 1 213 6 parsed_2odg 1
38
;
K37
chi1
;
216 1 217 6 parsed_2odg 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 "(b) Emerin in complex" 159 1 159 21 parsed_2odg 1
stop_
save_
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