NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
519798 |
2lio   |
17900 | cing | 2-parsed | STAR | dipolar coupling | 47 |
data_2lio_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2lio
_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_2lio 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2lio
_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 2lio "Master copy" parsed_2lio
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2lio
_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 2lio.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2lio 1
1 2lio.mr . . XPLOR/CNS 2 distance NOE simple 1733 parsed_2lio 1
1 2lio.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 162 parsed_2lio 1
1 2lio.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 47 parsed_2lio 1
1 2lio.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2lio 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_4
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2lio
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 4
_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 . . . . . . . . . . . . . . . . 27.2200 . . . . . 6 . N . 6 . HN parsed_2lio 1
2 . . . . . . . . . . . . . . . . 1.4400 . . . . . 7 . N . 7 . HN parsed_2lio 1
3 . . . . . . . . . . . . . . . . 21.2800 . . . . . 8 . N . 8 . HN parsed_2lio 1
4 . . . . . . . . . . . . . . . . -1.1400 . . . . . 10 . N . 10 . HN parsed_2lio 1
5 . . . . . . . . . . . . . . . . -7.2700 . . . . . 11 . N . 11 . HN parsed_2lio 1
6 . . . . . . . . . . . . . . . . 10.8300 . . . . . 23 . N . 23 . HN parsed_2lio 1
7 . . . . . . . . . . . . . . . . -7.5100 . . . . . 28 . N . 28 . HN parsed_2lio 1
8 . . . . . . . . . . . . . . . . -30.7200 . . . . . 29 . N . 29 . HN parsed_2lio 1
9 . . . . . . . . . . . . . . . . 18.4100 . . . . . 37 . N . 37 . HN parsed_2lio 1
10 . . . . . . . . . . . . . . . . 16.9700 . . . . . 38 . N . 38 . HN parsed_2lio 1
11 . . . . . . . . . . . . . . . . 6.5700 . . . . . 39 . N . 39 . HN parsed_2lio 1
12 . . . . . . . . . . . . . . . . 16.0100 . . . . . 40 . N . 40 . HN parsed_2lio 1
13 . . . . . . . . . . . . . . . . 16.7400 . . . . . 45 . N . 45 . HN parsed_2lio 1
14 . . . . . . . . . . . . . . . . 27.5300 . . . . . 46 . N . 46 . HN parsed_2lio 1
15 . . . . . . . . . . . . . . . . 9.3800 . . . . . 47 . N . 47 . HN parsed_2lio 1
16 . . . . . . . . . . . . . . . . 17.4900 . . . . . 55 . N . 55 . HN parsed_2lio 1
17 . . . . . . . . . . . . . . . . 19.3300 . . . . . 56 . N . 56 . HN parsed_2lio 1
18 . . . . . . . . . . . . . . . . -3.8600 . . . . . 60 . N . 60 . HN parsed_2lio 1
19 . . . . . . . . . . . . . . . . -28.6100 . . . . . 62 . N . 62 . HN parsed_2lio 1
20 . . . . . . . . . . . . . . . . -23.8000 . . . . . 63 . N . 63 . HN parsed_2lio 1
21 . . . . . . . . . . . . . . . . 8.1500 . . . . . 67 . N . 67 . HN parsed_2lio 1
22 . . . . . . . . . . . . . . . . 12.2800 . . . . . 68 . N . 68 . HN parsed_2lio 1
23 . . . . . . . . . . . . . . . . 6.5700 . . . . . 69 . N . 69 . HN parsed_2lio 1
24 . . . . . . . . . . . . . . . . 27.9900 . . . . . 72 . N . 72 . HN parsed_2lio 1
25 . . . . . . . . . . . . . . . . 26.4500 . . . . . 83 . N . 83 . HN parsed_2lio 1
26 . . . . . . . . . . . . . . . . 9.1400 . . . . . 84 . N . 84 . HN parsed_2lio 1
27 . . . . . . . . . . . . . . . . 18.2700 . . . . . 85 . N . 85 . HN parsed_2lio 1
28 . . . . . . . . . . . . . . . . -9.9600 . . . . . 86 . N . 86 . HN parsed_2lio 1
29 . . . . . . . . . . . . . . . . -29.8000 . . . . . 88 . N . 88 . HN parsed_2lio 1
30 . . . . . . . . . . . . . . . . -22.4900 . . . . . 96 . N . 96 . HN parsed_2lio 1
31 . . . . . . . . . . . . . . . . -3.6000 . . . . . 97 . N . 97 . HN parsed_2lio 1
32 . . . . . . . . . . . . . . . . 19.1400 . . . . . 98 . N . 98 . HN parsed_2lio 1
33 . . . . . . . . . . . . . . . . 24.7700 . . . . . 101 . N . 101 . HN parsed_2lio 1
34 . . . . . . . . . . . . . . . . 7.6700 . . . . . 102 . N . 102 . HN parsed_2lio 1
35 . . . . . . . . . . . . . . . . -6.8000 . . . . . 103 . N . 103 . HN parsed_2lio 1
36 . . . . . . . . . . . . . . . . -16.7300 . . . . . 105 . N . 105 . HN parsed_2lio 1
37 . . . . . . . . . . . . . . . . 0.2600 . . . . . 106 . N . 106 . HN parsed_2lio 1
38 . . . . . . . . . . . . . . . . -39.1200 . . . . . 107 . N . 107 . HN parsed_2lio 1
39 . . . . . . . . . . . . . . . . 13.5700 . . . . . 108 . N . 108 . HN parsed_2lio 1
40 . . . . . . . . . . . . . . . . 11.7300 . . . . . 110 . N . 110 . HN parsed_2lio 1
41 . . . . . . . . . . . . . . . . 27.1100 . . . . . 112 . N . 112 . HN parsed_2lio 1
42 . . . . . . . . . . . . . . . . 17.7700 . . . . . 115 . N . 115 . HN parsed_2lio 1
43 . . . . . . . . . . . . . . . . 25.9400 . . . . . 116 . N . 116 . HN parsed_2lio 1
44 . . . . . . . . . . . . . . . . 25.6800 . . . . . 119 . N . 119 . HN parsed_2lio 1
45 . . . . . . . . . . . . . . . . 21.2300 . . . . . 120 . N . 120 . HN parsed_2lio 1
46 . . . . . . . . . . . . . . . . 27.9200 . . . . . 123 . N . 123 . HN parsed_2lio 1
47 . . . . . . . . . . . . . . . . 13.9500 . . . . . 124 . N . 124 . HN parsed_2lio 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 "RDC data for bfr322" 1 1 1 22 parsed_2lio 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
;
class=rdc1
potential=harmonic
forceconstant=0.001
coefficient 0.0 -21.1000 9.000000E-02
;
2 1 5 37 parsed_2lio 1
stop_
save_
Contact the webmaster for help, if required. Saturday, May 11, 2024 9:35:27 PM GMT (wattos1)