NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
591697 |
2mq9   |
25020 | cing | 2-parsed | STAR | dipolar coupling | 29 |
data_2mq9_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2mq9
_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_2mq9 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2mq9
_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 2mq9 "Master copy" parsed_2mq9
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2mq9
_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 2mq9.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2mq9 1
1 2mq9.mr . . DYANA/DIANA 2 "dipolar coupling" "Not applicable" "Not applicable" 29 parsed_2mq9 1
1 2mq9.mr . . DYANA/DIANA 3 distance NOE simple 0 parsed_2mq9 1
1 2mq9.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2mq9 1
stop_
save_
save_DYANA/DIANA_dipolar_coupling_2
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2mq9
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 2
_RDC_constraint_list.Details "Generated by Wattos"
loop_
_RDC_constraint.ID
_RDC_constraint.Assembly_atom_ID_1
_RDC_constraint.Entity_assembly_ID_1
_RDC_constraint.Entity_ID_1
_RDC_constraint.Comp_index_ID_1
_RDC_constraint.Seq_ID_1
_RDC_constraint.Comp_ID_1
_RDC_constraint.Atom_ID_1
_RDC_constraint.Resonance_ID_1
_RDC_constraint.Assembly_atom_ID_2
_RDC_constraint.Entity_assembly_ID_2
_RDC_constraint.Entity_ID_2
_RDC_constraint.Comp_index_ID_2
_RDC_constraint.Seq_ID_2
_RDC_constraint.Comp_ID_2
_RDC_constraint.Atom_ID_2
_RDC_constraint.Resonance_ID_2
_RDC_constraint.RDC_val
_RDC_constraint.RDC_lower_bound
_RDC_constraint.RDC_upper_bound
_RDC_constraint.RDC_val_err
_RDC_constraint.Source_experiment_ID
_RDC_constraint.Auth_asym_ID_1
_RDC_constraint.Auth_seq_ID_1
_RDC_constraint.Auth_comp_ID_1
_RDC_constraint.Auth_atom_ID_1
_RDC_constraint.Auth_asym_ID_2
_RDC_constraint.Auth_seq_ID_2
_RDC_constraint.Auth_comp_ID_2
_RDC_constraint.Auth_atom_ID_2
_RDC_constraint.Entry_ID
_RDC_constraint.RDC_constraint_list_ID
1 . . . . . . . . . . . . . . . . -9.926 . . 0.250 . . 12 VAL H . 12 VAL N parsed_2mq9 1
2 . . . . . . . . . . . . . . . . 1.914 . . 0.250 . . 21 ILE H . 21 ILE N parsed_2mq9 1
3 . . . . . . . . . . . . . . . . -2.978 . . 0.250 . . 25 GLU H . 25 GLU N parsed_2mq9 1
4 . . . . . . . . . . . . . . . . -16.307 . . 0.250 . . 26 ALA H . 26 ALA N parsed_2mq9 1
5 . . . . . . . . . . . . . . . . -11.840 . . 0.250 . . 39 ILE H . 39 ILE N parsed_2mq9 1
6 . . . . . . . . . . . . . . . . 5.530 . . 0.250 . . 47 ARG H . 47 ARG N parsed_2mq9 1
7 . . . . . . . . . . . . . . . . -10.777 . . 0.250 . . 48 VAL H . 48 VAL N parsed_2mq9 1
8 . . . . . . . . . . . . . . . . -5.105 . . 0.250 . . 51 MET H . 51 MET N parsed_2mq9 1
9 . . . . . . . . . . . . . . . . 5.459 . . 0.250 . . 54 ASP H . 54 ASP N parsed_2mq9 1
10 . . . . . . . . . . . . . . . . -9.784 . . 0.250 . . 57 GLY H . 57 GLY N parsed_2mq9 1
11 . . . . . . . . . . . . . . . . -13.825 . . 0.250 . . 75 ILE H . 75 ILE N parsed_2mq9 1
12 . . . . . . . . . . . . . . . . -10.777 . . 0.250 . . 85 TYR H . 85 TYR N parsed_2mq9 1
13 . . . . . . . . . . . . . . . . -9.572 . . 0.250 . . 87 LYS H . 87 LYS N parsed_2mq9 1
14 . . . . . . . . . . . . . . . . -6.452 . . 0.250 . . 91 ASN H . 91 ASN N parsed_2mq9 1
15 . . . . . . . . . . . . . . . . -9.926 . . 0.250 . . 92 GLY H . 92 GLY N parsed_2mq9 1
16 . . . . . . . . . . . . . . . . -12.833 . . 0.250 . . 100 ILE H . 100 ILE N parsed_2mq9 1
17 . . . . . . . . . . . . . . . . -7.161 . . 0.250 . . 103 GLU H . 103 GLU N parsed_2mq9 1
18 . . . . . . . . . . . . . . . . 18.292 . . 0.250 . . 107 GLU H . 107 GLU N parsed_2mq9 1
19 . . . . . . . . . . . . . . . . -0.922 . . 0.250 . . 108 LYS H . 108 LYS N parsed_2mq9 1
20 . . . . . . . . . . . . . . . . -15.740 . . 0.250 . . 112 ILE H . 112 ILE N parsed_2mq9 1
21 . . . . . . . . . . . . . . . . -16.449 . . 0.250 . . 114 PHE H . 114 PHE N parsed_2mq9 1
22 . . . . . . . . . . . . . . . . -9.926 . . 0.250 . . 115 GLU H . 115 GLU N parsed_2mq9 1
23 . . . . . . . . . . . . . . . . 20.703 . . 0.250 . . 120 ILE H . 120 ILE N parsed_2mq9 1
24 . . . . . . . . . . . . . . . . -7.232 . . 0.250 . . 121 ASN H . 121 ASN N parsed_2mq9 1
25 . . . . . . . . . . . . . . . . -8.508 . . 0.250 . . 122 THR H . 122 THR N parsed_2mq9 1
26 . . . . . . . . . . . . . . . . -8.437 . . 0.250 . . 123 SER H . 123 SER N parsed_2mq9 1
27 . . . . . . . . . . . . . . . . -11.982 . . 0.250 . . 124 LEU H . 124 LEU N parsed_2mq9 1
28 . . . . . . . . . . . . . . . . -15.740 . . 0.250 . . 126 LEU H . 126 LEU N parsed_2mq9 1
29 . . . . . . . . . . . . . . . . -10.139 . . 0.250 . . 131 PHE H . 131 PHE N parsed_2mq9 1
stop_
loop_
_RDC_constraint_comment_org.ID
_RDC_constraint_comment_org.Comment_text
_RDC_constraint_comment_org.Comment_begin_line
_RDC_constraint_comment_org.Comment_begin_column
_RDC_constraint_comment_org.Comment_end_line
_RDC_constraint_comment_org.Comment_end_column
_RDC_constraint_comment_org.Entry_ID
_RDC_constraint_comment_org.RDC_constraint_list_ID
1 "Orientation Magnitude Rhombicity ORI residue number" 1 1 1 55 parsed_2mq9 1
stop_
loop_
_RDC_constraint_parse_err.ID
_RDC_constraint_parse_err.Content
_RDC_constraint_parse_err.Begin_line
_RDC_constraint_parse_err.Begin_column
_RDC_constraint_parse_err.End_line
_RDC_constraint_parse_err.End_column
_RDC_constraint_parse_err.Entry_ID
_RDC_constraint_parse_err.RDC_constraint_list_ID
1
;
1 10.6 0.207 160
# First atom Second atom RDC Error Weight Orientation
;
2 8 3 73 parsed_2mq9 1
2 1 4 64 4 65 parsed_2mq9 1
3 1 5 64 5 65 parsed_2mq9 1
4 1 6 64 6 65 parsed_2mq9 1
5 1 7 64 7 65 parsed_2mq9 1
6 "1 " 8 64 8 66 parsed_2mq9 1
7 1 9 64 9 65 parsed_2mq9 1
8 1 10 64 10 65 parsed_2mq9 1
9 1 11 64 11 65 parsed_2mq9 1
10 1 12 64 12 65 parsed_2mq9 1
11 1 13 64 13 65 parsed_2mq9 1
12 1 14 64 14 65 parsed_2mq9 1
13 1 15 64 15 65 parsed_2mq9 1
14 1 16 64 16 65 parsed_2mq9 1
15 1 17 64 17 65 parsed_2mq9 1
16 1 18 64 18 65 parsed_2mq9 1
17 1 19 64 19 65 parsed_2mq9 1
18 1 20 64 20 65 parsed_2mq9 1
19 "1 " 21 64 21 67 parsed_2mq9 1
20 "1 " 22 64 22 66 parsed_2mq9 1
21 1 23 64 23 65 parsed_2mq9 1
22 1 24 64 24 65 parsed_2mq9 1
23 1 25 64 25 65 parsed_2mq9 1
24 1 26 64 26 65 parsed_2mq9 1
25 "1 " 27 64 27 66 parsed_2mq9 1
26 "1 " 28 64 28 66 parsed_2mq9 1
27 1 29 64 29 65 parsed_2mq9 1
28 "1 " 30 64 30 66 parsed_2mq9 1
29 1 31 64 31 65 parsed_2mq9 1
30
;
1
;
32 64 33 1 parsed_2mq9 1
stop_
save_
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