NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
515911 |
2akl   |
6766 | cing | 2-parsed | STAR | dipolar coupling | 47 |
data_2akl_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2akl
_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_2akl 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2akl
_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 2akl "Master copy" parsed_2akl
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2akl
_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 2akl.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2akl 1
1 2akl.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_2akl 1
1 2akl.mr . . XPLOR/CNS 3 distance NOE simple 2447 parsed_2akl 1
1 2akl.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_2akl 1
1 2akl.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 51 parsed_2akl 1
1 2akl.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_2akl 1
1 2akl.mr . . XPLOR/CNS 7 "dihedral angle" "Not applicable" "Not applicable" 131 parsed_2akl 1
1 2akl.mr . . n/a 8 comment "Not applicable" "Not applicable" 0 parsed_2akl 1
1 2akl.mr . . XPLOR/CNS 9 "dipolar coupling" "Not applicable" "Not applicable" 14 parsed_2akl 1
1 2akl.mr . . n/a 10 comment "Not applicable" "Not applicable" 0 parsed_2akl 1
1 2akl.mr . . XPLOR/CNS 11 "dipolar coupling" "Not applicable" "Not applicable" 47 parsed_2akl 1
1 2akl.mr . . "MR format" 12 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2akl 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_11
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2akl
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 11
_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 . . . . . . . . . . . . . . . . 17.0100 . . . . . 51 . HN . 51 . N parsed_2akl 1
2 . . . . . . . . . . . . . . . . 7.7100 . . . . . 52 . HN . 52 . N parsed_2akl 1
3 . . . . . . . . . . . . . . . . 3.5700 . . . . . 54 . HN . 54 . N parsed_2akl 1
4 . . . . . . . . . . . . . . . . 2.0700 . . . . . 55 . HN . 55 . N parsed_2akl 1
5 . . . . . . . . . . . . . . . . -15.0200 . . . . . 56 . HN . 56 . N parsed_2akl 1
6 . . . . . . . . . . . . . . . . -23.9900 . . . . . 57 . HN . 57 . N parsed_2akl 1
7 . . . . . . . . . . . . . . . . -1.8300 . . . . . 58 . HN . 58 . N parsed_2akl 1
8 . . . . . . . . . . . . . . . . -7.7000 . . . . . 59 . HN . 59 . N parsed_2akl 1
9 . . . . . . . . . . . . . . . . 5.5200 . . . . . 60 . HN . 60 . N parsed_2akl 1
10 . . . . . . . . . . . . . . . . 5.9400 . . . . . 61 . HN . 61 . N parsed_2akl 1
11 . . . . . . . . . . . . . . . . -5.7100 . . . . . 62 . HN . 62 . N parsed_2akl 1
12 . . . . . . . . . . . . . . . . -13.3900 . . . . . 64 . HN . 64 . N parsed_2akl 1
13 . . . . . . . . . . . . . . . . 17.5600 . . . . . 65 . HN . 65 . N parsed_2akl 1
14 . . . . . . . . . . . . . . . . 15.9900 . . . . . 66 . HN . 66 . N parsed_2akl 1
15 . . . . . . . . . . . . . . . . 1.3300 . . . . . 68 . HN . 68 . N parsed_2akl 1
16 . . . . . . . . . . . . . . . . -22.3000 . . . . . 69 . HN . 69 . N parsed_2akl 1
17 . . . . . . . . . . . . . . . . -18.1600 . . . . . 70 . HN . 70 . N parsed_2akl 1
18 . . . . . . . . . . . . . . . . 3.9300 . . . . . 72 . HN . 72 . N parsed_2akl 1
19 . . . . . . . . . . . . . . . . 5.6700 . . . . . 74 . HN . 74 . N parsed_2akl 1
20 . . . . . . . . . . . . . . . . -8.7000 . . . . . 75 . HN . 75 . N parsed_2akl 1
21 . . . . . . . . . . . . . . . . -0.5700 . . . . . 76 . HN . 76 . N parsed_2akl 1
22 . . . . . . . . . . . . . . . . 7.4600 . . . . . 77 . HN . 77 . N parsed_2akl 1
23 . . . . . . . . . . . . . . . . -3.2600 . . . . . 78 . HN . 78 . N parsed_2akl 1
24 . . . . . . . . . . . . . . . . -1.1500 . . . . . 79 . HN . 79 . N parsed_2akl 1
25 . . . . . . . . . . . . . . . . 4.7000 . . . . . 80 . HN . 80 . N parsed_2akl 1
26 . . . . . . . . . . . . . . . . -16.5000 . . . . . 81 . HN . 81 . N parsed_2akl 1
27 . . . . . . . . . . . . . . . . 4.1800 . . . . . 82 . HN . 82 . N parsed_2akl 1
28 . . . . . . . . . . . . . . . . -6.5900 . . . . . 83 . HN . 83 . N parsed_2akl 1
29 . . . . . . . . . . . . . . . . 11.4200 . . . . . 84 . HN . 84 . N parsed_2akl 1
30 . . . . . . . . . . . . . . . . 18.3900 . . . . . 85 . HN . 85 . N parsed_2akl 1
31 . . . . . . . . . . . . . . . . -4.9100 . . . . . 87 . HN . 87 . N parsed_2akl 1
32 . . . . . . . . . . . . . . . . 3.2500 . . . . . 88 . HN . 88 . N parsed_2akl 1
33 . . . . . . . . . . . . . . . . 1.3100 . . . . . 90 . HN . 90 . N parsed_2akl 1
34 . . . . . . . . . . . . . . . . 7.5300 . . . . . 93 . HN . 93 . N parsed_2akl 1
35 . . . . . . . . . . . . . . . . -7.4500 . . . . . 94 . HN . 94 . N parsed_2akl 1
36 . . . . . . . . . . . . . . . . -15.4600 . . . . . 95 . HN . 95 . N parsed_2akl 1
37 . . . . . . . . . . . . . . . . -0.4900 . . . . . 96 . HN . 96 . N parsed_2akl 1
38 . . . . . . . . . . . . . . . . 1.8600 . . . . . 97 . HN . 97 . N parsed_2akl 1
39 . . . . . . . . . . . . . . . . 8.2600 . . . . . 98 . HN . 98 . N parsed_2akl 1
40 . . . . . . . . . . . . . . . . 5.4200 . . . . . 99 . HN . 99 . N parsed_2akl 1
41 . . . . . . . . . . . . . . . . 11.9600 . . . . . 102 . HN . 102 . N parsed_2akl 1
42 . . . . . . . . . . . . . . . . 14.5100 . . . . . 103 . HN . 103 . N parsed_2akl 1
43 . . . . . . . . . . . . . . . . -3.1100 . . . . . 104 . HN . 104 . N parsed_2akl 1
44 . . . . . . . . . . . . . . . . -9.0300 . . . . . 105 . HN . 105 . N parsed_2akl 1
45 . . . . . . . . . . . . . . . . -18.9600 . . . . . 107 . HN . 107 . N parsed_2akl 1
46 . . . . . . . . . . . . . . . . 6.9100 . . . . . 109 . HN . 109 . N parsed_2akl 1
47 . . . . . . . . . . . . . . . . 13.6400 . . . . . 110 . HN . 110 . N parsed_2akl 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
;
( resid 601 and name Z )
( resid 601 and name X )
( resid 601 and name Y )
( resid 50 and name HN )
( resid 50 and name N ) -4.2000 -1.9987
;
1 8 5 50 parsed_2akl 1
stop_
save_
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