NMR Restraints Grid
| |
NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
515687 |
1p5p   |
cing | 2-parsed | STAR | dipolar coupling | 60 |
data_1p5p_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1p5p
_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_1p5p 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1p5p
_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 1p5p "Master copy" parsed_1p5p
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1p5p
_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 1p5p.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1p5p 1
1 1p5p.mr . . XPLOR/CNS 2 distance NOE simple 548 parsed_1p5p 1
1 1p5p.mr . . XPLOR/CNS 3 distance NOE simple 212 parsed_1p5p 1
1 1p5p.mr . . XPLOR/CNS 4 distance NOE simple 121 parsed_1p5p 1
1 1p5p.mr . . XPLOR/CNS 5 distance NOE simple 16 parsed_1p5p 1
1 1p5p.mr . . XPLOR/CNS 6 distance NOE simple 401 parsed_1p5p 1
1 1p5p.mr . . XPLOR/CNS 7 distance NOE simple 191 parsed_1p5p 1
1 1p5p.mr . . XPLOR/CNS 8 distance NOE simple 121 parsed_1p5p 1
1 1p5p.mr . . XPLOR/CNS 9 distance NOE simple 4 parsed_1p5p 1
1 1p5p.mr . . XPLOR/CNS 10 distance NOE simple 65 parsed_1p5p 1
1 1p5p.mr . . XPLOR/CNS 11 distance NOE simple 64 parsed_1p5p 1
1 1p5p.mr . . XPLOR/CNS 12 distance "general distance" simple 1 parsed_1p5p 1
1 1p5p.mr . . XPLOR/CNS 13 "dihedral angle" "Not applicable" "Not applicable" 309 parsed_1p5p 1
1 1p5p.mr . . XPLOR/CNS 14 "dihedral angle" "Not applicable" "Not applicable" 34 parsed_1p5p 1
1 1p5p.mr . . XPLOR/CNS 15 "dihedral angle" "Not applicable" "Not applicable" 186 parsed_1p5p 1
1 1p5p.mr . . XPLOR/CNS 16 "dihedral angle" "Not applicable" "Not applicable" 21 parsed_1p5p 1
1 1p5p.mr . . XPLOR/CNS 17 "dihedral angle" "Not applicable" "Not applicable" 28 parsed_1p5p 1
1 1p5p.mr . . XPLOR/CNS 18 "dihedral angle" "Not applicable" "Not applicable" 4 parsed_1p5p 1
1 1p5p.mr . . XPLOR/CNS 19 "dipolar coupling" "Not applicable" "Not applicable" 89 parsed_1p5p 1
1 1p5p.mr . . XPLOR/CNS 20 "dipolar coupling" "Not applicable" "Not applicable" 112 parsed_1p5p 1
1 1p5p.mr . . XPLOR/CNS 21 "dipolar coupling" "Not applicable" "Not applicable" 60 parsed_1p5p 1
1 1p5p.mr . . "MR format" 22 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1p5p 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_21
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_1p5p
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 21
_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 . . . . . . . . . . . . . . . . -8.5 . . . . . 1 . n1 . 1 . h1 parsed_1p5p 1
2 . . . . . . . . . . . . . . . . -16.0 . . . . . 4 . n3 . 4 . h3 parsed_1p5p 1
3 . . . . . . . . . . . . . . . . -38.7 . . . . . 5 . n1 . 5 . h1 parsed_1p5p 1
4 . . . . . . . . . . . . . . . . -21.4 . . . . . 7 . n1 . 7 . h1 parsed_1p5p 1
5 . . . . . . . . . . . . . . . . 8.0 . . . . . 9 . n1 . 9 . h1 parsed_1p5p 1
6 . . . . . . . . . . . . . . . . -8.1 . . . . . 10 . n1 . 10 . h1 parsed_1p5p 1
7 . . . . . . . . . . . . . . . . 22.6 . . . . . 17 . n3 . 17 . h3 parsed_1p5p 1
8 . . . . . . . . . . . . . . . . 21.1 . . . . . 18 . n1 . 18 . h1 parsed_1p5p 1
9 . . . . . . . . . . . . . . . . 22.5 . . . . . 22 . n3 . 22 . h3 parsed_1p5p 1
10 . . . . . . . . . . . . . . . . 18.4 . . . . . 29 . n1 . 29 . h1 parsed_1p5p 1
11 . . . . . . . . . . . . . . . . -0.1 . . . . . 33 . n1 . 33 . h1 parsed_1p5p 1
12 . . . . . . . . . . . . . . . . 31.0 . . . . . 35 . n1 . 35 . h1 parsed_1p5p 1
13 . . . . . . . . . . . . . . . . 26.8 . . . . . 46 . n1 . 46 . h1 parsed_1p5p 1
14 . . . . . . . . . . . . . . . . 16.4 . . . . . 48 . n1 . 48 . h1 parsed_1p5p 1
15 . . . . . . . . . . . . . . . . -10.4 . . . . . 49 . n3 . 49 . h3 parsed_1p5p 1
16 . . . . . . . . . . . . . . . . 0.6 . . . . . 50 . n3 . 50 . h3 parsed_1p5p 1
17 . . . . . . . . . . . . . . . . 11.2 . . . . . 52 . n1 . 52 . h1 parsed_1p5p 1
18 . . . . . . . . . . . . . . . . 6.3 . . . . . 53 . n3 . 53 . h3 parsed_1p5p 1
19 . . . . . . . . . . . . . . . . 19.4 . . . . . 58 . n1 . 58 . h1 parsed_1p5p 1
20 . . . . . . . . . . . . . . . . 14.0 . . . . . 59 . n3 . 59 . h3 parsed_1p5p 1
21 . . . . . . . . . . . . . . . . 25.9 . . . . . 60 . n1 . 60 . h1 parsed_1p5p 1
22 . . . . . . . . . . . . . . . . 17.9 . . . . . 61 . n3 . 61 . h3 parsed_1p5p 1
23 . . . . . . . . . . . . . . . . 16.4 . . . . . 65 . n1 . 65 . h1 parsed_1p5p 1
24 . . . . . . . . . . . . . . . . 17.1 . . . . . 68 . n1 . 68 . h1 parsed_1p5p 1
25 . . . . . . . . . . . . . . . . 8.8 . . . . . 71 . n3 . 71 . h3 parsed_1p5p 1
26 . . . . . . . . . . . . . . . . -18.4 . . . . . 1 . c8 . 1 . h8 parsed_1p5p 1
27 . . . . . . . . . . . . . . . . -35.8 . . . . . 5 . c8 . 5 . h8 parsed_1p5p 1
28 . . . . . . . . . . . . . . . . -37.0 . . . . . 8 . c2 . 8 . h2 parsed_1p5p 1
29 . . . . . . . . . . . . . . . . 23.6 . . . . . 10 . c8 . 10 . h8 parsed_1p5p 1
30 . . . . . . . . . . . . . . . . 31.0 . . . . . 11 . c2 . 11 . h2 parsed_1p5p 1
31 . . . . . . . . . . . . . . . . 3.2 . . . . . 11 . c8 . 11 . h8 parsed_1p5p 1
32 . . . . . . . . . . . . . . . . -19.6 . . . . . 12 . c2 . 12 . h2 parsed_1p5p 1
33 . . . . . . . . . . . . . . . . -22.0 . . . . . 12 . c8 . 12 . h8 parsed_1p5p 1
34 . . . . . . . . . . . . . . . . 14.8 . . . . . 15 . c2 . 15 . h2 parsed_1p5p 1
35 . . . . . . . . . . . . . . . . 9.9 . . . . . 15 . c8 . 15 . h8 parsed_1p5p 1
36 . . . . . . . . . . . . . . . . 29.6 . . . . . 18 . c8 . 18 . h8 parsed_1p5p 1
37 . . . . . . . . . . . . . . . . 31.3 . . . . . 24 . c2 . 24 . h2 parsed_1p5p 1
38 . . . . . . . . . . . . . . . . 1.6 . . . . . 30 . c2 . 30 . h2 parsed_1p5p 1
39 . . . . . . . . . . . . . . . . 25.8 . . . . . 30 . c8 . 30 . h8 parsed_1p5p 1
40 . . . . . . . . . . . . . . . . 25.9 . . . . . 31 . c2 . 31 . h2 parsed_1p5p 1
41 . . . . . . . . . . . . . . . . 30.6 . . . . . 31 . c8 . 31 . h8 parsed_1p5p 1
42 . . . . . . . . . . . . . . . . 27.5 . . . . . 32 . c2 . 32 . h2 parsed_1p5p 1
43 . . . . . . . . . . . . . . . . -22.3 . . . . . 39 . c8 . 39 . h8 parsed_1p5p 1
44 . . . . . . . . . . . . . . . . 20.2 . . . . . 40 . c8 . 40 . h8 parsed_1p5p 1
45 . . . . . . . . . . . . . . . . 13.1 . . . . . 43 . c2 . 43 . h2 parsed_1p5p 1
46 . . . . . . . . . . . . . . . . 31.4 . . . . . 43 . c8 . 43 . h8 parsed_1p5p 1
47 . . . . . . . . . . . . . . . . 3.7 . . . . . 46 . c8 . 46 . h8 parsed_1p5p 1
48 . . . . . . . . . . . . . . . . 28.5 . . . . . 51 . c2 . 51 . h2 parsed_1p5p 1
49 . . . . . . . . . . . . . . . . 31.2 . . . . . 51 . c8 . 51 . h8 parsed_1p5p 1
50 . . . . . . . . . . . . . . . . 2.1 . . . . . 52 . c8 . 52 . h8 parsed_1p5p 1
51 . . . . . . . . . . . . . . . . -8.3 . . . . . 54 . c2 . 54 . h2 parsed_1p5p 1
52 . . . . . . . . . . . . . . . . 1.8 . . . . . 54 . c8 . 54 . h8 parsed_1p5p 1
53 . . . . . . . . . . . . . . . . 24.2 . . . . . 56 . c8 . 56 . h8 parsed_1p5p 1
54 . . . . . . . . . . . . . . . . 20.7 . . . . . 57 . c2 . 57 . h2 parsed_1p5p 1
55 . . . . . . . . . . . . . . . . 6.0 . . . . . 63 . c8 . 63 . h8 parsed_1p5p 1
56 . . . . . . . . . . . . . . . . 10.0 . . . . . 65 . c8 . 65 . h8 parsed_1p5p 1
57 . . . . . . . . . . . . . . . . 29.7 . . . . . 67 . c2 . 67 . h2 parsed_1p5p 1
58 . . . . . . . . . . . . . . . . 20.0 . . . . . 68 . c8 . 68 . h8 parsed_1p5p 1
59 . . . . . . . . . . . . . . . . -44.5 . . . . . 74 . c2 . 74 . h2 parsed_1p5p 1
60 . . . . . . . . . . . . . . . . -33.1 . . . . . 74 . c8 . 74 . h8 parsed_1p5p 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 "RDCs of domain II" 1 1 1 1 parsed_1p5p 1
stop_
save_
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