NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
651242 |
6m3n   |
36320 | cing | 2-parsed | STAR | dipolar coupling | 64 |
data_6m3n_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6m3n
_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_6m3n 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6m3n
_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 6m3n "Master copy" parsed_6m3n
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6m3n
_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 6m3n.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6m3n 1
1 6m3n.mr . . XPLOR/CNS 2 distance NOE simple 1244 parsed_6m3n 1
1 6m3n.mr . . XPLOR/CNS 3 "dipolar coupling" "Not applicable" "Not applicable" 64 parsed_6m3n 1
1 6m3n.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_6m3n 1
1 6m3n.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6m3n 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_3
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_6m3n
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 3
_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 . . . . . . . . . . . . . . . . -2.5300 . . . . . 2 . N . 2 . HN parsed_6m3n 1
2 . . . . . . . . . . . . . . . . -3.4900 . . . . . 3 . N . 3 . HN parsed_6m3n 1
3 . . . . . . . . . . . . . . . . -0.4800 . . . . . 4 . N . 4 . HN parsed_6m3n 1
4 . . . . . . . . . . . . . . . . 0.0800 . . . . . 5 . N . 5 . HN parsed_6m3n 1
5 . . . . . . . . . . . . . . . . 2.5500 . . . . . 6 . N . 6 . HN parsed_6m3n 1
6 . . . . . . . . . . . . . . . . 2.7800 . . . . . 7 . N . 7 . HN parsed_6m3n 1
7 . . . . . . . . . . . . . . . . 1.5300 . . . . . 8 . N . 8 . HN parsed_6m3n 1
8 . . . . . . . . . . . . . . . . -2.2200 . . . . . 9 . N . 9 . HN parsed_6m3n 1
9 . . . . . . . . . . . . . . . . -1.6800 . . . . . 10 . N . 10 . HN parsed_6m3n 1
10 . . . . . . . . . . . . . . . . 4.2600 . . . . . 11 . N . 11 . HN parsed_6m3n 1
11 . . . . . . . . . . . . . . . . 3.9200 . . . . . 13 . N . 13 . HN parsed_6m3n 1
12 . . . . . . . . . . . . . . . . 2.4400 . . . . . 14 . N . 14 . HN parsed_6m3n 1
13 . . . . . . . . . . . . . . . . -0.8000 . . . . . 15 . N . 15 . HN parsed_6m3n 1
14 . . . . . . . . . . . . . . . . -2.5000 . . . . . 16 . N . 16 . HN parsed_6m3n 1
15 . . . . . . . . . . . . . . . . -0.6900 . . . . . 17 . N . 17 . HN parsed_6m3n 1
16 . . . . . . . . . . . . . . . . 2.8900 . . . . . 18 . N . 18 . HN parsed_6m3n 1
17 . . . . . . . . . . . . . . . . 4.7000 . . . . . 19 . N . 19 . HN parsed_6m3n 1
18 . . . . . . . . . . . . . . . . 2.8800 . . . . . 20 . N . 20 . HN parsed_6m3n 1
19 . . . . . . . . . . . . . . . . 1.9000 . . . . . 21 . N . 21 . HN parsed_6m3n 1
20 . . . . . . . . . . . . . . . . -1.2500 . . . . . 22 . N . 22 . HN parsed_6m3n 1
21 . . . . . . . . . . . . . . . . -1.0400 . . . . . 23 . N . 23 . HN parsed_6m3n 1
22 . . . . . . . . . . . . . . . . 4.3400 . . . . . 24 . N . 24 . HN parsed_6m3n 1
23 . . . . . . . . . . . . . . . . -2.1900 . . . . . 25 . N . 25 . HN parsed_6m3n 1
24 . . . . . . . . . . . . . . . . 2.0600 . . . . . 26 . N . 26 . HN parsed_6m3n 1
25 . . . . . . . . . . . . . . . . 0.2400 . . . . . 27 . N . 27 . HN parsed_6m3n 1
26 . . . . . . . . . . . . . . . . 0.4800 . . . . . 28 . N . 28 . HN parsed_6m3n 1
27 . . . . . . . . . . . . . . . . -4.3600 . . . . . 29 . N . 29 . HN parsed_6m3n 1
28 . . . . . . . . . . . . . . . . -1.6500 . . . . . 30 . N . 30 . HN parsed_6m3n 1
29 . . . . . . . . . . . . . . . . -2.5800 . . . . . 31 . N . 31 . HN parsed_6m3n 1
30 . . . . . . . . . . . . . . . . -4.4300 . . . . . 32 . N . 32 . HN parsed_6m3n 1
31 . . . . . . . . . . . . . . . . -3.6800 . . . . . 33 . N . 33 . HN parsed_6m3n 1
32 . . . . . . . . . . . . . . . . -2.4200 . . . . . 34 . N . 34 . HN parsed_6m3n 1
33 . . . . . . . . . . . . . . . . -2.7700 . . . . . 35 . N . 35 . HN parsed_6m3n 1
34 . . . . . . . . . . . . . . . . -3.1500 . . . . . 36 . N . 36 . HN parsed_6m3n 1
35 . . . . . . . . . . . . . . . . 2.2000 . . . . . 37 . N . 37 . HN parsed_6m3n 1
36 . . . . . . . . . . . . . . . . 3.2000 . . . . . 38 . N . 38 . HN parsed_6m3n 1
37 . . . . . . . . . . . . . . . . 2.1600 . . . . . 39 . N . 39 . HN parsed_6m3n 1
38 . . . . . . . . . . . . . . . . 0.9900 . . . . . 40 . N . 40 . HN parsed_6m3n 1
39 . . . . . . . . . . . . . . . . 0.7700 . . . . . 42 . N . 42 . HN parsed_6m3n 1
40 . . . . . . . . . . . . . . . . 1.8600 . . . . . 43 . N . 43 . HN parsed_6m3n 1
41 . . . . . . . . . . . . . . . . -0.6800 . . . . . 44 . N . 44 . HN parsed_6m3n 1
42 . . . . . . . . . . . . . . . . 0.8900 . . . . . 45 . N . 45 . HN parsed_6m3n 1
43 . . . . . . . . . . . . . . . . 4.0900 . . . . . 46 . N . 46 . HN parsed_6m3n 1
44 . . . . . . . . . . . . . . . . 2.5100 . . . . . 47 . N . 47 . HN parsed_6m3n 1
45 . . . . . . . . . . . . . . . . 0.5400 . . . . . 48 . N . 48 . HN parsed_6m3n 1
46 . . . . . . . . . . . . . . . . 3.4500 . . . . . 49 . N . 49 . HN parsed_6m3n 1
47 . . . . . . . . . . . . . . . . 3.1700 . . . . . 50 . N . 50 . HN parsed_6m3n 1
48 . . . . . . . . . . . . . . . . 0.7400 . . . . . 51 . N . 51 . HN parsed_6m3n 1
49 . . . . . . . . . . . . . . . . 0.9300 . . . . . 52 . N . 52 . HN parsed_6m3n 1
50 . . . . . . . . . . . . . . . . 4.9200 . . . . . 53 . N . 53 . HN parsed_6m3n 1
51 . . . . . . . . . . . . . . . . 1.3700 . . . . . 54 . N . 54 . HN parsed_6m3n 1
52 . . . . . . . . . . . . . . . . -0.3500 . . . . . 55 . N . 55 . HN parsed_6m3n 1
53 . . . . . . . . . . . . . . . . -1.4800 . . . . . 56 . N . 56 . HN parsed_6m3n 1
54 . . . . . . . . . . . . . . . . -2.8700 . . . . . 57 . N . 57 . HN parsed_6m3n 1
55 . . . . . . . . . . . . . . . . -0.9400 . . . . . 58 . N . 58 . HN parsed_6m3n 1
56 . . . . . . . . . . . . . . . . -3.2600 . . . . . 59 . N . 59 . HN parsed_6m3n 1
57 . . . . . . . . . . . . . . . . -1.9600 . . . . . 60 . N . 60 . HN parsed_6m3n 1
58 . . . . . . . . . . . . . . . . -0.6800 . . . . . 61 . N . 61 . HN parsed_6m3n 1
59 . . . . . . . . . . . . . . . . 0.9100 . . . . . 62 . N . 62 . HN parsed_6m3n 1
60 . . . . . . . . . . . . . . . . 3.8000 . . . . . 63 . N . 63 . HN parsed_6m3n 1
61 . . . . . . . . . . . . . . . . 0.9700 . . . . . 64 . N . 64 . HN parsed_6m3n 1
62 . . . . . . . . . . . . . . . . -0.9200 . . . . . 65 . N . 65 . HN parsed_6m3n 1
63 . . . . . . . . . . . . . . . . -0.9000 . . . . . 66 . N . 66 . HN parsed_6m3n 1
64 . . . . . . . . . . . . . . . . -0.3300 . . . . . 67 . N . 67 . HN parsed_6m3n 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
;
# Restraints file 2: acrif7_rdc.tbl
#assign ( resid 500 and name OO )
# ( resid 500 and name Z )
# ( resid 500 and name X )
# ( resid 500 and name Y )
# ( resid 1 and name N )
# ( resid 1 and name HN ) 0.4000 0.2000
;
1 1 7 51 parsed_6m3n 1
stop_
save_
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