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 |
|
|
568070 |
2m3b   |
18952 | cing | 2-parsed | STAR | dipolar coupling | 70 |
data_2m3b_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2m3b
_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_2m3b 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2m3b
_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 2m3b "Master copy" parsed_2m3b
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2m3b
_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 2m3b.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2m3b 1
1 2m3b.mr . . XPLOR/CNS 2 unknown "Not applicable" "Not applicable" 0 parsed_2m3b 1
1 2m3b.mr . . XPLOR/CNS 3 distance NOE simple 2070 parsed_2m3b 1
1 2m3b.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 430 parsed_2m3b 1
1 2m3b.mr . . XPLOR/CNS 5 planarity "Not applicable" "Not applicable" 0 parsed_2m3b 1
1 2m3b.mr . . XPLOR/CNS 6 distance "general distance" simple 79 parsed_2m3b 1
1 2m3b.mr . . XPLOR/CNS 7 unknown "Not applicable" "Not applicable" 0 parsed_2m3b 1
1 2m3b.mr . . XPLOR/CNS 8 "dipolar coupling" "Not applicable" "Not applicable" 70 parsed_2m3b 1
1 2m3b.mr . . "MR format" 9 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2m3b 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_8
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2m3b
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 8
_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 . . . . . . . . . . . . . . . . -4.5 -5.5 -3.5 . . A 2 . N A 2 . HN parsed_2m3b 1
2 . . . . . . . . . . . . . . . . -5.5 -6.0 -5.0 . . A 5 . N A 5 . HN parsed_2m3b 1
3 . . . . . . . . . . . . . . . . 8.0 7.5 8.5 . . A 26 . N A 26 . HN parsed_2m3b 1
4 . . . . . . . . . . . . . . . . 7.3 6.1 8.5 . . A 28 . N A 28 . HN parsed_2m3b 1
5 . . . . . . . . . . . . . . . . 6.8 6.0 7.6 . . A 29 . N A 29 . HN parsed_2m3b 1
6 . . . . . . . . . . . . . . . . 7.3 6.1 8.5 . . A 31 . N A 31 . HN parsed_2m3b 1
7 . . . . . . . . . . . . . . . . 8.3 7.5 9.1 . . A 37 . N A 37 . HN parsed_2m3b 1
8 . . . . . . . . . . . . . . . . 7.5 7.0 8.0 . . A 38 . N A 38 . HN parsed_2m3b 1
9 . . . . . . . . . . . . . . . . 5.5 5.0 6.0 . . A 39 . N A 39 . HN parsed_2m3b 1
10 . . . . . . . . . . . . . . . . 8.0 7.5 8.5 . . A 40 . N A 40 . HN parsed_2m3b 1
11 . . . . . . . . . . . . . . . . 7.3 6.1 8.5 . . A 42 . N A 42 . HN parsed_2m3b 1
12 . . . . . . . . . . . . . . . . 6.5 6.0 7.0 . . A 43 . N A 43 . HN parsed_2m3b 1
13 . . . . . . . . . . . . . . . . 8.0 7.5 8.5 . . A 44 . N A 44 . HN parsed_2m3b 1
14 . . . . . . . . . . . . . . . . 7.3 6.1 8.5 . . A 51 . N A 51 . HN parsed_2m3b 1
15 . . . . . . . . . . . . . . . . -4.5 -5.5 -3.5 . . B 2 . N B 2 . HN parsed_2m3b 1
16 . . . . . . . . . . . . . . . . -5.5 -6.0 -5.0 . . B 5 . N B 5 . HN parsed_2m3b 1
17 . . . . . . . . . . . . . . . . 8.0 7.5 8.5 . . B 26 . N B 26 . HN parsed_2m3b 1
18 . . . . . . . . . . . . . . . . 7.3 6.1 8.5 . . B 28 . N B 28 . HN parsed_2m3b 1
19 . . . . . . . . . . . . . . . . 6.8 6.0 7.6 . . B 29 . N B 29 . HN parsed_2m3b 1
20 . . . . . . . . . . . . . . . . 7.3 6.1 8.5 . . B 31 . N B 31 . HN parsed_2m3b 1
21 . . . . . . . . . . . . . . . . 8.3 7.5 9.1 . . B 37 . N B 37 . HN parsed_2m3b 1
22 . . . . . . . . . . . . . . . . 7.5 7.0 8.0 . . B 38 . N B 38 . HN parsed_2m3b 1
23 . . . . . . . . . . . . . . . . 5.5 5.0 6.0 . . B 39 . N B 39 . HN parsed_2m3b 1
24 . . . . . . . . . . . . . . . . 8.0 7.5 8.5 . . B 40 . N B 40 . HN parsed_2m3b 1
25 . . . . . . . . . . . . . . . . 7.3 6.1 8.5 . . B 42 . N B 42 . HN parsed_2m3b 1
26 . . . . . . . . . . . . . . . . 6.5 6.0 7.0 . . B 43 . N B 43 . HN parsed_2m3b 1
27 . . . . . . . . . . . . . . . . 8.0 7.5 8.5 . . B 44 . N B 44 . HN parsed_2m3b 1
28 . . . . . . . . . . . . . . . . 7.3 6.1 8.5 . . B 51 . N B 51 . HN parsed_2m3b 1
29 . . . . . . . . . . . . . . . . -4.5 -5.5 -3.5 . . C 2 . N C 2 . HN parsed_2m3b 1
30 . . . . . . . . . . . . . . . . -5.5 -6.0 -5.0 . . C 5 . N C 5 . HN parsed_2m3b 1
31 . . . . . . . . . . . . . . . . 8.0 7.5 8.5 . . C 26 . N C 26 . HN parsed_2m3b 1
32 . . . . . . . . . . . . . . . . 7.3 6.1 8.5 . . C 28 . N C 28 . HN parsed_2m3b 1
33 . . . . . . . . . . . . . . . . 6.8 6.0 7.6 . . C 29 . N C 29 . HN parsed_2m3b 1
34 . . . . . . . . . . . . . . . . 7.3 6.1 8.5 . . C 31 . N C 31 . HN parsed_2m3b 1
35 . . . . . . . . . . . . . . . . 8.3 7.5 9.1 . . C 37 . N C 37 . HN parsed_2m3b 1
36 . . . . . . . . . . . . . . . . 7.5 7.0 8.0 . . C 38 . N C 38 . HN parsed_2m3b 1
37 . . . . . . . . . . . . . . . . 5.5 5.0 6.0 . . C 39 . N C 39 . HN parsed_2m3b 1
38 . . . . . . . . . . . . . . . . 8.0 7.5 8.5 . . C 40 . N C 40 . HN parsed_2m3b 1
39 . . . . . . . . . . . . . . . . 7.3 6.1 8.5 . . C 42 . N C 42 . HN parsed_2m3b 1
40 . . . . . . . . . . . . . . . . 6.5 6.0 7.0 . . C 43 . N C 43 . HN parsed_2m3b 1
41 . . . . . . . . . . . . . . . . 8.0 7.5 8.5 . . C 44 . N C 44 . HN parsed_2m3b 1
42 . . . . . . . . . . . . . . . . 7.3 6.1 8.5 . . C 51 . N C 51 . HN parsed_2m3b 1
43 . . . . . . . . . . . . . . . . -4.5 -5.5 -3.5 . . D 2 . N D 2 . HN parsed_2m3b 1
44 . . . . . . . . . . . . . . . . -5.5 -6.0 -5.0 . . D 5 . N D 5 . HN parsed_2m3b 1
45 . . . . . . . . . . . . . . . . 8.0 7.5 8.5 . . D 26 . N D 26 . HN parsed_2m3b 1
46 . . . . . . . . . . . . . . . . 7.3 6.1 8.5 . . D 28 . N D 28 . HN parsed_2m3b 1
47 . . . . . . . . . . . . . . . . 6.8 6.0 7.6 . . D 29 . N D 29 . HN parsed_2m3b 1
48 . . . . . . . . . . . . . . . . 7.3 6.1 8.5 . . D 31 . N D 31 . HN parsed_2m3b 1
49 . . . . . . . . . . . . . . . . 8.3 7.5 9.1 . . D 37 . N D 37 . HN parsed_2m3b 1
50 . . . . . . . . . . . . . . . . 7.5 7.0 8.0 . . D 38 . N D 38 . HN parsed_2m3b 1
51 . . . . . . . . . . . . . . . . 5.5 5.0 6.0 . . D 39 . N D 39 . HN parsed_2m3b 1
52 . . . . . . . . . . . . . . . . 8.0 7.5 8.5 . . D 40 . N D 40 . HN parsed_2m3b 1
53 . . . . . . . . . . . . . . . . 7.3 6.1 8.5 . . D 42 . N D 42 . HN parsed_2m3b 1
54 . . . . . . . . . . . . . . . . 6.5 6.0 7.0 . . D 43 . N D 43 . HN parsed_2m3b 1
55 . . . . . . . . . . . . . . . . 8.0 7.5 8.5 . . D 44 . N D 44 . HN parsed_2m3b 1
56 . . . . . . . . . . . . . . . . 7.3 6.1 8.5 . . D 51 . N D 51 . HN parsed_2m3b 1
57 . . . . . . . . . . . . . . . . -4.5 -5.5 -3.5 . . E 2 . N E 2 . HN parsed_2m3b 1
58 . . . . . . . . . . . . . . . . -5.5 -6.0 -5.0 . . E 5 . N E 5 . HN parsed_2m3b 1
59 . . . . . . . . . . . . . . . . 8.0 7.5 8.5 . . E 26 . N E 26 . HN parsed_2m3b 1
60 . . . . . . . . . . . . . . . . 7.3 6.1 8.5 . . E 28 . N E 28 . HN parsed_2m3b 1
61 . . . . . . . . . . . . . . . . 6.8 6.0 7.6 . . E 29 . N E 29 . HN parsed_2m3b 1
62 . . . . . . . . . . . . . . . . 7.3 6.1 8.5 . . E 31 . N E 31 . HN parsed_2m3b 1
63 . . . . . . . . . . . . . . . . 8.3 7.5 9.1 . . E 37 . N E 37 . HN parsed_2m3b 1
64 . . . . . . . . . . . . . . . . 7.5 7.0 8.0 . . E 38 . N E 38 . HN parsed_2m3b 1
65 . . . . . . . . . . . . . . . . 5.5 5.0 6.0 . . E 39 . N E 39 . HN parsed_2m3b 1
66 . . . . . . . . . . . . . . . . 8.0 7.5 8.5 . . E 40 . N E 40 . HN parsed_2m3b 1
67 . . . . . . . . . . . . . . . . 7.3 6.1 8.5 . . E 42 . N E 42 . HN parsed_2m3b 1
68 . . . . . . . . . . . . . . . . 6.5 6.0 7.0 . . E 43 . N E 43 . HN parsed_2m3b 1
69 . . . . . . . . . . . . . . . . 8.0 7.5 8.5 . . E 44 . N E 44 . HN parsed_2m3b 1
70 . . . . . . . . . . . . . . . . 7.3 6.1 8.5 . . E 51 . N E 51 . HN parsed_2m3b 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 "#15N-1H DC" 1 1 1 10 parsed_2m3b 1
stop_
save_
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