NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
548736 |
2lrq   |
18390 | cing | 2-parsed | STAR | dipolar coupling | 49 |
data_2lrq_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2lrq
_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_2lrq 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2lrq
_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 2lrq "Master copy" parsed_2lrq
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2lrq
_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 2lrq.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2lrq 1
1 2lrq.mr . . XPLOR/CNS 2 "dipolar coupling" "Not applicable" "Not applicable" 49 parsed_2lrq 1
1 2lrq.mr . . XPLOR/CNS 3 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2lrq 1
1 2lrq.mr . . XPLOR/CNS 4 distance NOE simple 0 parsed_2lrq 1
1 2lrq.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2lrq 1
1 2lrq.mr . . STAR 6 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2lrq 1
1 2lrq.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2lrq 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_2
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2lrq
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 2
_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 . . . . . . . . . . . . . . . . 0.7764 . . . . . 13 . N . 13 . HN parsed_2lrq 1
2 . . . . . . . . . . . . . . . . 4.8647 . . . . . 14 . N . 14 . HN parsed_2lrq 1
3 . . . . . . . . . . . . . . . . 11.6252 . . . . . 15 . N . 15 . HN parsed_2lrq 1
4 . . . . . . . . . . . . . . . . 13.046 . . . . . 16 . N . 16 . HN parsed_2lrq 1
5 . . . . . . . . . . . . . . . . -3.5281 . . . . . 17 . N . 17 . HN parsed_2lrq 1
6 . . . . . . . . . . . . . . . . 12.3442 . . . . . 18 . N . 18 . HN parsed_2lrq 1
7 . . . . . . . . . . . . . . . . -2.515 . . . . . 19 . N . 19 . HN parsed_2lrq 1
8 . . . . . . . . . . . . . . . . -12.2812 . . . . . 20 . N . 20 . HN parsed_2lrq 1
9 . . . . . . . . . . . . . . . . -9.0834 . . . . . 21 . N . 21 . HN parsed_2lrq 1
10 . . . . . . . . . . . . . . . . 3.1524 . . . . . 22 . N . 22 . HN parsed_2lrq 1
11 . . . . . . . . . . . . . . . . 10.2308 . . . . . 23 . N . 23 . HN parsed_2lrq 1
12 . . . . . . . . . . . . . . . . 8.9478 . . . . . 27 . N . 27 . HN parsed_2lrq 1
13 . . . . . . . . . . . . . . . . 1.2506 . . . . . 28 . N . 28 . HN parsed_2lrq 1
14 . . . . . . . . . . . . . . . . 6.3875 . . . . . 29 . N . 29 . HN parsed_2lrq 1
15 . . . . . . . . . . . . . . . . 2.083 . . . . . 30 . N . 30 . HN parsed_2lrq 1
16 . . . . . . . . . . . . . . . . 12.9065 . . . . . 31 . N . 31 . HN parsed_2lrq 1
17 . . . . . . . . . . . . . . . . 8.2605 . . . . . 32 . N . 32 . HN parsed_2lrq 1
18 . . . . . . . . . . . . . . . . 3.2512 . . . . . 33 . N . 33 . HN parsed_2lrq 1
19 . . . . . . . . . . . . . . . . 5.4761 . . . . . 34 . N . 34 . HN parsed_2lrq 1
20 . . . . . . . . . . . . . . . . 8.2437 . . . . . 35 . N . 35 . HN parsed_2lrq 1
21 . . . . . . . . . . . . . . . . 9.8901 . . . . . 36 . N . 36 . HN parsed_2lrq 1
22 . . . . . . . . . . . . . . . . 6.8119 . . . . . 40 . N . 40 . HN parsed_2lrq 1
23 . . . . . . . . . . . . . . . . 16.8713 . . . . . 43 . N . 43 . HN parsed_2lrq 1
24 . . . . . . . . . . . . . . . . 14.4802 . . . . . 44 . N . 44 . HN parsed_2lrq 1
25 . . . . . . . . . . . . . . . . 19.385 . . . . . 45 . N . 45 . HN parsed_2lrq 1
26 . . . . . . . . . . . . . . . . 2.375 . . . . . 46 . N . 46 . HN parsed_2lrq 1
27 . . . . . . . . . . . . . . . . 13.595 . . . . . 47 . N . 47 . HN parsed_2lrq 1
28 . . . . . . . . . . . . . . . . 9.7368 . . . . . 48 . N . 48 . HN parsed_2lrq 1
29 . . . . . . . . . . . . . . . . -16.2621 . . . . . 49 . N . 49 . HN parsed_2lrq 1
30 . . . . . . . . . . . . . . . . 11.8612 . . . . . 51 . N . 51 . HN parsed_2lrq 1
31 . . . . . . . . . . . . . . . . -8.4349 . . . . . 54 . N . 54 . HN parsed_2lrq 1
32 . . . . . . . . . . . . . . . . -23.7639 . . . . . 56 . N . 56 . HN parsed_2lrq 1
33 . . . . . . . . . . . . . . . . 9.6753 . . . . . 59 . N . 59 . HN parsed_2lrq 1
34 . . . . . . . . . . . . . . . . 12.3705 . . . . . 61 . N . 61 . HN parsed_2lrq 1
35 . . . . . . . . . . . . . . . . 8.9377 . . . . . 63 . N . 63 . HN parsed_2lrq 1
36 . . . . . . . . . . . . . . . . -6.3884 . . . . . 64 . N . 64 . HN parsed_2lrq 1
37 . . . . . . . . . . . . . . . . -17.0113 . . . . . 65 . N . 65 . HN parsed_2lrq 1
38 . . . . . . . . . . . . . . . . -26.8654 . . . . . 66 . N . 66 . HN parsed_2lrq 1
39 . . . . . . . . . . . . . . . . 13.166 . . . . . 67 . N . 67 . HN parsed_2lrq 1
40 . . . . . . . . . . . . . . . . 19.9376 . . . . . 70 . N . 70 . HN parsed_2lrq 1
41 . . . . . . . . . . . . . . . . 17.0746 . . . . . 71 . N . 71 . HN parsed_2lrq 1
42 . . . . . . . . . . . . . . . . 18.3394 . . . . . 72 . N . 72 . HN parsed_2lrq 1
43 . . . . . . . . . . . . . . . . 18.958 . . . . . 73 . N . 73 . HN parsed_2lrq 1
44 . . . . . . . . . . . . . . . . 22.6443 . . . . . 74 . N . 74 . HN parsed_2lrq 1
45 . . . . . . . . . . . . . . . . 17.342 . . . . . 75 . N . 75 . HN parsed_2lrq 1
46 . . . . . . . . . . . . . . . . 19.865 . . . . . 77 . N . 77 . HN parsed_2lrq 1
47 . . . . . . . . . . . . . . . . 18.6673 . . . . . 78 . N . 78 . HN parsed_2lrq 1
48 . . . . . . . . . . . . . . . . 16.2432 . . . . . 79 . N . 79 . HN parsed_2lrq 1
49 . . . . . . . . . . . . . . . . 12.8719 . . . . . 80 . N . 80 . HN parsed_2lrq 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
;
#assign ( resid 500 and name OO )
# ( resid 500 and name Z )
# ( resid 500 and name X )
# ( resid 500 and name Y )
# ( resid 38 and name N )
# ( resid 38 and name HN ) -17.7254 1.5
;
148 1 153 52 parsed_2lrq 1
2
;
#assign ( resid 500 and name OO )
# ( resid 500 and name Z )
# ( resid 500 and name X )
# ( resid 500 and name Y )
# ( resid 55 and name N )
# ( resid 55 and name HN ) -14.8925 1.5
;
225 1 230 52 parsed_2lrq 1
3
;
#assign ( resid 500 and name OO )
# ( resid 500 and name Z )
# ( resid 500 and name X )
# ( resid 500 and name Y )
# ( resid 57 and name N )
# ( resid 57 and name HN ) 10.9201 1.5
;
239 1 244 51 parsed_2lrq 1
stop_
save_
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