NMR Restraints Grid
| |
NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
47453 |
2gtv   |
7093 | cing | 2-parsed | STAR | dipolar coupling | 50 |
data_2gtv_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2gtv
_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_2gtv 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2gtv
_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 2gtv "Master copy" parsed_2gtv
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2gtv
_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 2gtv.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2gtv 1
1 2gtv.mr . . XPLOR/CNS 2 distance "general distance" simple 78 parsed_2gtv 1
1 2gtv.mr . . XPLOR/CNS 3 distance NOE simple 1363 parsed_2gtv 1
1 2gtv.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 194 parsed_2gtv 1
1 2gtv.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 62 parsed_2gtv 1
1 2gtv.mr . . XPLOR/CNS 6 "dipolar coupling" "Not applicable" "Not applicable" 50 parsed_2gtv 1
1 2gtv.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2gtv 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_6
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2gtv
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 6
_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 . . . . . . . . . . . . . . . . 6.0 . . . . . 3 . N . 3 . HN parsed_2gtv 1
2 . . . . . . . . . . . . . . . . 13.6 . . . . . 8 . N . 8 . HN parsed_2gtv 1
3 . . . . . . . . . . . . . . . . 3.4 . . . . . 10 . N . 10 . HN parsed_2gtv 1
4 . . . . . . . . . . . . . . . . 7.1 . . . . . 11 . N . 11 . HN parsed_2gtv 1
5 . . . . . . . . . . . . . . . . 9.1 . . . . . 13 . N . 13 . HN parsed_2gtv 1
6 . . . . . . . . . . . . . . . . 13.1 . . . . . 15 . N . 15 . HN parsed_2gtv 1
7 . . . . . . . . . . . . . . . . 9.9 . . . . . 16 . N . 16 . HN parsed_2gtv 1
8 . . . . . . . . . . . . . . . . 4.9 . . . . . 17 . N . 17 . HN parsed_2gtv 1
9 . . . . . . . . . . . . . . . . 8.6 . . . . . 18 . N . 18 . HN parsed_2gtv 1
10 . . . . . . . . . . . . . . . . 14.8 . . . . . 19 . N . 19 . HN parsed_2gtv 1
11 . . . . . . . . . . . . . . . . 4.2 . . . . . 23 . N . 23 . HN parsed_2gtv 1
12 . . . . . . . . . . . . . . . . 9.6 . . . . . 24 . N . 24 . HN parsed_2gtv 1
13 . . . . . . . . . . . . . . . . 16.2 . . . . . 35 . N . 35 . HN parsed_2gtv 1
14 . . . . . . . . . . . . . . . . 1.1 . . . . . 37 . N . 37 . HN parsed_2gtv 1
15 . . . . . . . . . . . . . . . . 10.3 . . . . . 39 . N . 39 . HN parsed_2gtv 1
16 . . . . . . . . . . . . . . . . 14.6 . . . . . 41 . N . 41 . HN parsed_2gtv 1
17 . . . . . . . . . . . . . . . . 19.0 . . . . . 42 . N . 42 . HN parsed_2gtv 1
18 . . . . . . . . . . . . . . . . 9.8 . . . . . 43 . N . 43 . HN parsed_2gtv 1
19 . . . . . . . . . . . . . . . . 7.4 . . . . . 44 . N . 44 . HN parsed_2gtv 1
20 . . . . . . . . . . . . . . . . 20.0 . . . . . 45 . N . 45 . HN parsed_2gtv 1
21 . . . . . . . . . . . . . . . . 11.1 . . . . . 46 . N . 46 . HN parsed_2gtv 1
22 . . . . . . . . . . . . . . . . 9.9 . . . . . 47 . N . 47 . HN parsed_2gtv 1
23 . . . . . . . . . . . . . . . . 14.7 . . . . . 48 . N . 48 . HN parsed_2gtv 1
24 . . . . . . . . . . . . . . . . 2.9 . . . . . 49 . N . 49 . HN parsed_2gtv 1
25 . . . . . . . . . . . . . . . . 16.1 . . . . . 54 . N . 54 . HN parsed_2gtv 1
26 . . . . . . . . . . . . . . . . -2.5 . . . . . 56 . N . 56 . HN parsed_2gtv 1
27 . . . . . . . . . . . . . . . . 2.6 . . . . . 57 . N . 57 . HN parsed_2gtv 1
28 . . . . . . . . . . . . . . . . 0.1 . . . . . 58 . N . 58 . HN parsed_2gtv 1
29 . . . . . . . . . . . . . . . . 2.9 . . . . . 62 . N . 62 . HN parsed_2gtv 1
30 . . . . . . . . . . . . . . . . -1.8 . . . . . 64 . N . 64 . HN parsed_2gtv 1
31 . . . . . . . . . . . . . . . . -2.8 . . . . . 65 . N . 65 . HN parsed_2gtv 1
32 . . . . . . . . . . . . . . . . 8.1 . . . . . 69 . N . 69 . HN parsed_2gtv 1
33 . . . . . . . . . . . . . . . . 11.5 . . . . . 70 . N . 70 . HN parsed_2gtv 1
34 . . . . . . . . . . . . . . . . 0.9 . . . . . 72 . N . 72 . HN parsed_2gtv 1
35 . . . . . . . . . . . . . . . . 17.6 . . . . . 73 . N . 73 . HN parsed_2gtv 1
36 . . . . . . . . . . . . . . . . 11.4 . . . . . 74 . N . 74 . HN parsed_2gtv 1
37 . . . . . . . . . . . . . . . . 12.6 . . . . . 75 . N . 75 . HN parsed_2gtv 1
38 . . . . . . . . . . . . . . . . -2.6 . . . . . 77 . N . 77 . HN parsed_2gtv 1
39 . . . . . . . . . . . . . . . . -2.5 . . . . . 84 . N . 84 . HN parsed_2gtv 1
40 . . . . . . . . . . . . . . . . 0.4 . . . . . 85 . N . 85 . HN parsed_2gtv 1
41 . . . . . . . . . . . . . . . . -3.4 . . . . . 87 . N . 87 . HN parsed_2gtv 1
42 . . . . . . . . . . . . . . . . -5.9 . . . . . 90 . N . 90 . HN parsed_2gtv 1
43 . . . . . . . . . . . . . . . . -0.1 . . . . . 92 . N . 92 . HN parsed_2gtv 1
44 . . . . . . . . . . . . . . . . -4.6 . . . . . 94 . N . 94 . HN parsed_2gtv 1
45 . . . . . . . . . . . . . . . . 1.0 . . . . . 99 . N . 99 . HN parsed_2gtv 1
46 . . . . . . . . . . . . . . . . -1.5 . . . . . 100 . N . 100 . HN parsed_2gtv 1
47 . . . . . . . . . . . . . . . . -5.5 . . . . . 101 . N . 101 . HN parsed_2gtv 1
48 . . . . . . . . . . . . . . . . -4.4 . . . . . 102 . N . 102 . HN parsed_2gtv 1
49 . . . . . . . . . . . . . . . . 4.0 . . . . . 103 . N . 103 . HN parsed_2gtv 1
50 . . . . . . . . . . . . . . . . 0.6 . . . . . 104 . N . 104 . HN parsed_2gtv 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 "1st = RDC; 2nd = error, only used square well potential" 8 51 8 107 parsed_2gtv 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 "####### backbone HN-N residual dipolar couplings #######" 1 1 1 56 parsed_2gtv 1
stop_
save_
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