NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
490983 |
2kqs   |
cing | 2-parsed | STAR | dipolar coupling | 51 |
data_2kqs_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2kqs
_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_2kqs 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2kqs
_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 2kqs "Master copy" parsed_2kqs
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2kqs
_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 2kqs.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kqs 1
1 2kqs.mr . . XPLOR/CNS 2 distance NOE ambi 2076 parsed_2kqs 1
1 2kqs.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 218 parsed_2kqs 1
1 2kqs.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 66 parsed_2kqs 1
1 2kqs.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 51 parsed_2kqs 1
1 2kqs.mr . . XPLOR/CNS 6 "coupling constant" "Not applicable" "Not applicable" 0 parsed_2kqs 1
1 2kqs.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kqs 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_5
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2kqs
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 5
_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 . . . . . . . . . . . . . . . . 0.85127 . . . . " A" 2 . N " A" 2 . HN parsed_2kqs 1
2 . . . . . . . . . . . . . . . . 0.48644 . . . . " A" 6 . N " A" 6 . HN parsed_2kqs 1
3 . . . . . . . . . . . . . . . . 0.60805 . . . . " A" 9 . N " A" 9 . HN parsed_2kqs 1
4 . . . . . . . . . . . . . . . . -0.304025 . . . . " A" 14 . N " A" 14 . HN parsed_2kqs 1
5 . . . . . . . . . . . . . . . . 1.1553 . . . . " A" 15 . N " A" 15 . HN parsed_2kqs 1
6 . . . . . . . . . . . . . . . . 3.89152 . . . . " A" 19 . N " A" 19 . HN parsed_2kqs 1
7 . . . . . . . . . . . . . . . . 5.47245 . . . . " A" 22 . N " A" 22 . HN parsed_2kqs 1
8 . . . . . . . . . . . . . . . . -0.912075 . . . . " A" 25 . N " A" 25 . HN parsed_2kqs 1
9 . . . . . . . . . . . . . . . . -1.45932 . . . . " A" 26 . N " A" 26 . HN parsed_2kqs 1
10 . . . . . . . . . . . . . . . . 0.36483 . . . . " A" 28 . N " A" 28 . HN parsed_2kqs 1
11 . . . . . . . . . . . . . . . . 1.45932 . . . . " A" 31 . N " A" 31 . HN parsed_2kqs 1
12 . . . . . . . . . . . . . . . . -6.56694 . . . . " A" 32 . N " A" 32 . HN parsed_2kqs 1
13 . . . . . . . . . . . . . . . . 0.48644 . . . . " A" 33 . N " A" 33 . HN parsed_2kqs 1
14 . . . . . . . . . . . . . . . . -0.36483 . . . . " A" 36 . N " A" 36 . HN parsed_2kqs 1
15 . . . . . . . . . . . . . . . . -0.912075 . . . . " A" 41 . N " A" 41 . HN parsed_2kqs 1
16 . . . . . . . . . . . . . . . . 10.0936 . . . . " A" 42 . N " A" 42 . HN parsed_2kqs 1
17 . . . . . . . . . . . . . . . . 2.00657 . . . . " A" 44 . N " A" 44 . HN parsed_2kqs 1
18 . . . . . . . . . . . . . . . . 6.26291 . . . . " A" 45 . N " A" 45 . HN parsed_2kqs 1
19 . . . . . . . . . . . . . . . . -4.74279 . . . . " A" 47 . N " A" 47 . HN parsed_2kqs 1
20 . . . . . . . . . . . . . . . . 1.94576 . . . . " A" 48 . N " A" 48 . HN parsed_2kqs 1
21 . . . . . . . . . . . . . . . . -3.89152 . . . . " A" 49 . N " A" 49 . HN parsed_2kqs 1
22 . . . . . . . . . . . . . . . . -1.70254 . . . . " A" 52 . N " A" 52 . HN parsed_2kqs 1
23 . . . . . . . . . . . . . . . . -2.12818 . . . . " A" 55 . N " A" 55 . HN parsed_2kqs 1
24 . . . . . . . . . . . . . . . . 8.99914 . . . . " A" 59 . N " A" 59 . HN parsed_2kqs 1
25 . . . . . . . . . . . . . . . . 3.58749 . . . . " A" 60 . N " A" 60 . HN parsed_2kqs 1
26 . . . . . . . . . . . . . . . . 0.60805 . . . . " A" 61 . N " A" 61 . HN parsed_2kqs 1
27 . . . . . . . . . . . . . . . . 4.8644 . . . . " A" 63 . N " A" 63 . HN parsed_2kqs 1
28 . . . . . . . . . . . . . . . . 3.10106 . . . . " A" 66 . N " A" 66 . HN parsed_2kqs 1
29 . . . . . . . . . . . . . . . . 4.07394 . . . . " A" 67 . N " A" 67 . HN parsed_2kqs 1
30 . . . . . . . . . . . . . . . . 0.304025 . . . . " A" 71 . N " A" 71 . HN parsed_2kqs 1
31 . . . . . . . . . . . . . . . . -8.26948 . . . . " A" 72 . N " A" 72 . HN parsed_2kqs 1
32 . . . . . . . . . . . . . . . . -6.50614 . . . . " A" 75 . N " A" 75 . HN parsed_2kqs 1
33 . . . . . . . . . . . . . . . . 7.41821 . . . . " A" 81 . N " A" 81 . HN parsed_2kqs 1
34 . . . . . . . . . . . . . . . . 10.4585 . . . . " A" 82 . N " A" 82 . HN parsed_2kqs 1
35 . . . . . . . . . . . . . . . . -1.09449 . . . . " A" 83 . N " A" 83 . HN parsed_2kqs 1
36 . . . . . . . . . . . . . . . . 9.97202 . . . . " A" 85 . N " A" 85 . HN parsed_2kqs 1
37 . . . . . . . . . . . . . . . . 1.58093 . . . . " A" 87 . N " A" 87 . HN parsed_2kqs 1
38 . . . . . . . . . . . . . . . . -0.48644 . . . . " A" 89 . N " A" 89 . HN parsed_2kqs 1
39 . . . . . . . . . . . . . . . . 2.73623 . . . . " A" 93 . N " A" 93 . HN parsed_2kqs 1
40 . . . . . . . . . . . . . . . . -1.2161 . . . . " A" 94 . N " A" 94 . HN parsed_2kqs 1
41 . . . . . . . . . . . . . . . . 1.45932 . . . . " A" 95 . N " A" 95 . HN parsed_2kqs 1
42 . . . . . . . . . . . . . . . . 2.18898 . . . . " A" 96 . N " A" 96 . HN parsed_2kqs 1
43 . . . . . . . . . . . . . . . . -0.668855 . . . . " A" 97 . N " A" 97 . HN parsed_2kqs 1
44 . . . . . . . . . . . . . . . . 1.03369 . . . . " B" 723 . N " B" 723 . HN parsed_2kqs 1
45 . . . . . . . . . . . . . . . . 2.3714 . . . . " B" 724 . N " B" 724 . HN parsed_2kqs 1
46 . . . . . . . . . . . . . . . . -0.425635 . . . . " B" 725 . N " B" 725 . HN parsed_2kqs 1
47 . . . . . . . . . . . . . . . . -0.304025 . . . . " B" 726 . N " B" 726 . HN parsed_2kqs 1
48 . . . . . . . . . . . . . . . . 1.33771 . . . . " B" 729 . N " B" 729 . HN parsed_2kqs 1
49 . . . . . . . . . . . . . . . . 0.48644 . . . . " B" 734 . N " B" 734 . HN parsed_2kqs 1
50 . . . . . . . . . . . . . . . . 1.03368 . . . . " B" 737 . N " B" 737 . HN parsed_2kqs 1
51 . . . . . . . . . . . . . . . . 0.304025 . . . . " B" 740 . N " B" 740 . HN parsed_2kqs 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 "coefficients 1.72 -1.38 6.98 -60" 358 1 358 37 parsed_2kqs 1
stop_
save_
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