NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
532828 |
2kds   |
cing | 2-parsed | STAR | dipolar coupling | 48 |
data_2kds_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2kds
_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_2kds 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2kds
_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 2kds "Master copy" parsed_2kds
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2kds
_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 2kds.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kds 1
1 2kds.mr . . XPLOR/CNS 2 distance NOE ambi 1545 parsed_2kds 1
1 2kds.mr . . XPLOR/CNS 3 distance "hydrogen bond" ambi 44 parsed_2kds 1
1 2kds.mr . . XPLOR/CNS 4 "coupling constant" "Not applicable" "Not applicable" 0 parsed_2kds 1
1 2kds.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 84 parsed_2kds 1
1 2kds.mr . . XPLOR/CNS 6 "dipolar coupling" "Not applicable" "Not applicable" 88 parsed_2kds 1
1 2kds.mr . . XPLOR/CNS 7 "dipolar coupling" "Not applicable" "Not applicable" 48 parsed_2kds 1
1 2kds.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kds 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_7
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2kds
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 7
_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 . . . . . . . . . . . . . . . . 2.642271 . . . . . 5 . N . 5 . HN parsed_2kds 1
2 . . . . . . . . . . . . . . . . 2.850139 . . . . . 6 . N . 6 . HN parsed_2kds 1
3 . . . . . . . . . . . . . . . . 2.724900 . . . . . 7 . N . 7 . HN parsed_2kds 1
4 . . . . . . . . . . . . . . . . 2.756763 . . . . . 9 . N . 9 . HN parsed_2kds 1
5 . . . . . . . . . . . . . . . . 2.718787 . . . . . 10 . N . 10 . HN parsed_2kds 1
6 . . . . . . . . . . . . . . . . 3.295363 . . . . . 12 . N . 12 . HN parsed_2kds 1
7 . . . . . . . . . . . . . . . . 3.021724 . . . . . 14 . N . 14 . HN parsed_2kds 1
8 . . . . . . . . . . . . . . . . 2.922108 . . . . . 19 . N . 19 . HN parsed_2kds 1
9 . . . . . . . . . . . . . . . . 2.878719 . . . . . 20 . N . 20 . HN parsed_2kds 1
10 . . . . . . . . . . . . . . . . 2.708510 . . . . . 22 . N . 22 . HN parsed_2kds 1
11 . . . . . . . . . . . . . . . . 2.663364 . . . . . 23 . N . 23 . HN parsed_2kds 1
12 . . . . . . . . . . . . . . . . 2.832537 . . . . . 24 . N . 24 . HN parsed_2kds 1
13 . . . . . . . . . . . . . . . . 2.878879 . . . . . 25 . N . 25 . HN parsed_2kds 1
14 . . . . . . . . . . . . . . . . 3.169660 . . . . . 27 . N . 27 . HN parsed_2kds 1
15 . . . . . . . . . . . . . . . . 2.969114 . . . . . 28 . N . 28 . HN parsed_2kds 1
16 . . . . . . . . . . . . . . . . 3.163351 . . . . . 30 . N . 30 . HN parsed_2kds 1
17 . . . . . . . . . . . . . . . . 2.808590 . . . . . 31 . N . 31 . HN parsed_2kds 1
18 . . . . . . . . . . . . . . . . 2.951936 . . . . . 32 . N . 32 . HN parsed_2kds 1
19 . . . . . . . . . . . . . . . . 2.922824 . . . . . 33 . N . 33 . HN parsed_2kds 1
20 . . . . . . . . . . . . . . . . 2.756434 . . . . . 36 . N . 36 . HN parsed_2kds 1
21 . . . . . . . . . . . . . . . . 2.835641 . . . . . 37 . N . 37 . HN parsed_2kds 1
22 . . . . . . . . . . . . . . . . 2.904498 . . . . . 39 . N . 39 . HN parsed_2kds 1
23 . . . . . . . . . . . . . . . . 2.879200 . . . . . 40 . N . 40 . HN parsed_2kds 1
24 . . . . . . . . . . . . . . . . 2.962473 . . . . . 41 . N . 41 . HN parsed_2kds 1
25 . . . . . . . . . . . . . . . . 3.094429 . . . . . 42 . N . 42 . HN parsed_2kds 1
26 . . . . . . . . . . . . . . . . 3.128702 . . . . . 43 . N . 43 . HN parsed_2kds 1
27 . . . . . . . . . . . . . . . . 3.058624 . . . . . 45 . N . 45 . HN parsed_2kds 1
28 . . . . . . . . . . . . . . . . 2.767519 . . . . . 47 . N . 47 . HN parsed_2kds 1
29 . . . . . . . . . . . . . . . . 2.956533 . . . . . 49 . N . 49 . HN parsed_2kds 1
30 . . . . . . . . . . . . . . . . 2.731766 . . . . . 51 . N . 51 . HN parsed_2kds 1
31 . . . . . . . . . . . . . . . . 3.153559 . . . . . 53 . N . 53 . HN parsed_2kds 1
32 . . . . . . . . . . . . . . . . 2.829405 . . . . . 54 . N . 54 . HN parsed_2kds 1
33 . . . . . . . . . . . . . . . . 2.758461 . . . . . 55 . N . 55 . HN parsed_2kds 1
34 . . . . . . . . . . . . . . . . 2.869792 . . . . . 57 . N . 57 . HN parsed_2kds 1
35 . . . . . . . . . . . . . . . . 2.809566 . . . . . 58 . N . 58 . HN parsed_2kds 1
36 . . . . . . . . . . . . . . . . 2.943703 . . . . . 61 . N . 61 . HN parsed_2kds 1
37 . . . . . . . . . . . . . . . . 2.962024 . . . . . 66 . N . 66 . HN parsed_2kds 1
38 . . . . . . . . . . . . . . . . 2.547737 . . . . . 67 . N . 67 . HN parsed_2kds 1
39 . . . . . . . . . . . . . . . . 2.692369 . . . . . 69 . N . 69 . HN parsed_2kds 1
40 . . . . . . . . . . . . . . . . 2.850874 . . . . . 71 . N . 71 . HN parsed_2kds 1
41 . . . . . . . . . . . . . . . . 2.783636 . . . . . 73 . N . 73 . HN parsed_2kds 1
42 . . . . . . . . . . . . . . . . 2.913148 . . . . . 74 . N . 74 . HN parsed_2kds 1
43 . . . . . . . . . . . . . . . . 2.807457 . . . . . 77 . N . 77 . HN parsed_2kds 1
44 . . . . . . . . . . . . . . . . 2.721538 . . . . . 79 . N . 79 . HN parsed_2kds 1
45 . . . . . . . . . . . . . . . . 2.962582 . . . . . 81 . N . 81 . HN parsed_2kds 1
46 . . . . . . . . . . . . . . . . 2.995016 . . . . . 82 . N . 82 . HN parsed_2kds 1
47 . . . . . . . . . . . . . . . . 3.072464 . . . . . 84 . N . 84 . HN parsed_2kds 1
48 . . . . . . . . . . . . . . . . 3.089926 . . . . . 86 . N . 86 . HN parsed_2kds 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
;
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!! N-HN Relaxation Rate Restraints
!! deleted those with NOE < 0.65
;
1 1 3 34 parsed_2kds 1
stop_
save_
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