NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
496315 |
2l7k   |
17359 | cing | 2-parsed | STAR | dipolar coupling | 40 |
data_2l7k_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2l7k
_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_2l7k 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2l7k
_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 2l7k "Master copy" parsed_2l7k
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2l7k
_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 2l7k.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2l7k 1
1 2l7k.mr . . XPLOR/CNS 2 distance NOE simple 1630 parsed_2l7k 1
1 2l7k.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 72 parsed_2l7k 1
1 2l7k.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 40 parsed_2l7k 1
1 2l7k.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2l7k 1
1 2l7k.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2l7k 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_4
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2l7k
_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 . . . . . . . . . . . . . . . . 1.5600 . . . . . 3 . N . 3 . HN parsed_2l7k 1
2 . . . . . . . . . . . . . . . . 13.1800 . . . . . 4 . N . 4 . HN parsed_2l7k 1
3 . . . . . . . . . . . . . . . . -0.3500 . . . . . 5 . N . 5 . HN parsed_2l7k 1
4 . . . . . . . . . . . . . . . . -7.3500 . . . . . 6 . N . 6 . HN parsed_2l7k 1
5 . . . . . . . . . . . . . . . . -20.5700 . . . . . 8 . N . 8 . HN parsed_2l7k 1
6 . . . . . . . . . . . . . . . . -9.9400 . . . . . 9 . N . 9 . HN parsed_2l7k 1
7 . . . . . . . . . . . . . . . . -1.9800 . . . . . 10 . N . 10 . HN parsed_2l7k 1
8 . . . . . . . . . . . . . . . . -12.8600 . . . . . 11 . N . 11 . HN parsed_2l7k 1
9 . . . . . . . . . . . . . . . . -16.0200 . . . . . 12 . N . 12 . HN parsed_2l7k 1
10 . . . . . . . . . . . . . . . . -3.1300 . . . . . 13 . N . 13 . HN parsed_2l7k 1
11 . . . . . . . . . . . . . . . . 1.1200 . . . . . 14 . N . 14 . HN parsed_2l7k 1
12 . . . . . . . . . . . . . . . . 2.4100 . . . . . 17 . N . 17 . HN parsed_2l7k 1
13 . . . . . . . . . . . . . . . . 8.7900 . . . . . 18 . N . 18 . HN parsed_2l7k 1
14 . . . . . . . . . . . . . . . . 2.7600 . . . . . 19 . N . 19 . HN parsed_2l7k 1
15 . . . . . . . . . . . . . . . . 7.3000 . . . . . 20 . N . 20 . HN parsed_2l7k 1
16 . . . . . . . . . . . . . . . . 17.4100 . . . . . 21 . N . 21 . HN parsed_2l7k 1
17 . . . . . . . . . . . . . . . . 9.9400 . . . . . 22 . N . 22 . HN parsed_2l7k 1
18 . . . . . . . . . . . . . . . . 3.6800 . . . . . 23 . N . 23 . HN parsed_2l7k 1
19 . . . . . . . . . . . . . . . . 12.7700 . . . . . 24 . N . 24 . HN parsed_2l7k 1
20 . . . . . . . . . . . . . . . . 16.7000 . . . . . 25 . N . 25 . HN parsed_2l7k 1
21 . . . . . . . . . . . . . . . . 5.1400 . . . . . 36 . N . 36 . HN parsed_2l7k 1
22 . . . . . . . . . . . . . . . . -5.8300 . . . . . 37 . N . 37 . HN parsed_2l7k 1
23 . . . . . . . . . . . . . . . . -4.4500 . . . . . 38 . N . 38 . HN parsed_2l7k 1
24 . . . . . . . . . . . . . . . . 10.6800 . . . . . 40 . N . 40 . HN parsed_2l7k 1
25 . . . . . . . . . . . . . . . . -3.2700 . . . . . 41 . N . 41 . HN parsed_2l7k 1
26 . . . . . . . . . . . . . . . . 0.0300 . . . . . 42 . N . 42 . HN parsed_2l7k 1
27 . . . . . . . . . . . . . . . . 5.6900 . . . . . 44 . N . 44 . HN parsed_2l7k 1
28 . . . . . . . . . . . . . . . . -2.2800 . . . . . 45 . N . 45 . HN parsed_2l7k 1
29 . . . . . . . . . . . . . . . . 6.4800 . . . . . 46 . N . 46 . HN parsed_2l7k 1
30 . . . . . . . . . . . . . . . . -3.4200 . . . . . 48 . N . 48 . HN parsed_2l7k 1
31 . . . . . . . . . . . . . . . . -0.3300 . . . . . 49 . N . 49 . HN parsed_2l7k 1
32 . . . . . . . . . . . . . . . . 18.1600 . . . . . 50 . N . 50 . HN parsed_2l7k 1
33 . . . . . . . . . . . . . . . . -0.0400 . . . . . 52 . N . 52 . HN parsed_2l7k 1
34 . . . . . . . . . . . . . . . . -18.0500 . . . . . 53 . N . 53 . HN parsed_2l7k 1
35 . . . . . . . . . . . . . . . . 5.3400 . . . . . 54 . N . 54 . HN parsed_2l7k 1
36 . . . . . . . . . . . . . . . . 2.5800 . . . . . 55 . N . 55 . HN parsed_2l7k 1
37 . . . . . . . . . . . . . . . . 4.2100 . . . . . 56 . N . 56 . HN parsed_2l7k 1
38 . . . . . . . . . . . . . . . . 5.4700 . . . . . 58 . N . 58 . HN parsed_2l7k 1
39 . . . . . . . . . . . . . . . . 1.9800 . . . . . 59 . N . 59 . HN parsed_2l7k 1
40 . . . . . . . . . . . . . . . . -4.6300 . . . . . 60 . N . 60 . HN parsed_2l7k 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 cfr130" 1 1 1 22 parsed_2l7k 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 -9.07000 0.470000
;
2 1 5 33 parsed_2l7k 1
stop_
save_
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