NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
528173 |
2ro4   |
cing | 2-parsed | STAR | dipolar coupling | 48 |
data_2ro4_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2ro4
_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_2ro4 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2ro4
_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 2ro4 "Master copy" parsed_2ro4
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2ro4
_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 2ro4.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2ro4 1
1 2ro4.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 140 parsed_2ro4 1
1 2ro4.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 48 parsed_2ro4 1
1 2ro4.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 48 parsed_2ro4 1
1 2ro4.mr . . XPLOR/CNS 5 distance NOE ambi 0 parsed_2ro4 1
1 2ro4.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2ro4 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_4
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2ro4
_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 . . . . . . . . . . . . . . . . 5.814 . . . . A 5 . N A 5 . HN parsed_2ro4 1
2 . . . . . . . . . . . . . . . . 5.814 . . . . B 5 . N B 5 . HN parsed_2ro4 1
3 . . . . . . . . . . . . . . . . -6.344 . . . . A 6 . N A 6 . HN parsed_2ro4 1
4 . . . . . . . . . . . . . . . . -6.344 . . . . B 6 . N B 6 . HN parsed_2ro4 1
5 . . . . . . . . . . . . . . . . 14.987 . . . . A 7 . N A 7 . HN parsed_2ro4 1
6 . . . . . . . . . . . . . . . . 14.987 . . . . B 7 . N B 7 . HN parsed_2ro4 1
7 . . . . . . . . . . . . . . . . 14.407 . . . . A 8 . N A 8 . HN parsed_2ro4 1
8 . . . . . . . . . . . . . . . . 14.407 . . . . B 8 . N B 8 . HN parsed_2ro4 1
9 . . . . . . . . . . . . . . . . -23.305 . . . . A 17 . N A 17 . HN parsed_2ro4 1
10 . . . . . . . . . . . . . . . . -23.305 . . . . B 17 . N B 17 . HN parsed_2ro4 1
11 . . . . . . . . . . . . . . . . -5.274 . . . . A 20 . N A 20 . HN parsed_2ro4 1
12 . . . . . . . . . . . . . . . . -5.274 . . . . B 20 . N B 20 . HN parsed_2ro4 1
13 . . . . . . . . . . . . . . . . -22.990 . . . . A 21 . N A 21 . HN parsed_2ro4 1
14 . . . . . . . . . . . . . . . . -22.990 . . . . B 21 . N B 21 . HN parsed_2ro4 1
15 . . . . . . . . . . . . . . . . -5.069 . . . . A 22 . N A 22 . HN parsed_2ro4 1
16 . . . . . . . . . . . . . . . . -5.069 . . . . B 22 . N B 22 . HN parsed_2ro4 1
17 . . . . . . . . . . . . . . . . -5.044 . . . . A 23 . N A 23 . HN parsed_2ro4 1
18 . . . . . . . . . . . . . . . . -5.044 . . . . B 23 . N B 23 . HN parsed_2ro4 1
19 . . . . . . . . . . . . . . . . -14.052 . . . . A 24 . N A 24 . HN parsed_2ro4 1
20 . . . . . . . . . . . . . . . . -14.052 . . . . B 24 . N B 24 . HN parsed_2ro4 1
21 . . . . . . . . . . . . . . . . -25.584 . . . . A 25 . N A 25 . HN parsed_2ro4 1
22 . . . . . . . . . . . . . . . . -25.584 . . . . B 25 . N B 25 . HN parsed_2ro4 1
23 . . . . . . . . . . . . . . . . -7.403 . . . . A 26 . N A 26 . HN parsed_2ro4 1
24 . . . . . . . . . . . . . . . . -7.403 . . . . B 26 . N B 26 . HN parsed_2ro4 1
25 . . . . . . . . . . . . . . . . 6.683 . . . . A 27 . N A 27 . HN parsed_2ro4 1
26 . . . . . . . . . . . . . . . . 6.683 . . . . B 27 . N B 27 . HN parsed_2ro4 1
27 . . . . . . . . . . . . . . . . -17.356 . . . . A 33 . N A 33 . HN parsed_2ro4 1
28 . . . . . . . . . . . . . . . . -17.356 . . . . B 33 . N B 33 . HN parsed_2ro4 1
29 . . . . . . . . . . . . . . . . 1.360 . . . . A 34 . N A 34 . HN parsed_2ro4 1
30 . . . . . . . . . . . . . . . . 1.360 . . . . B 34 . N B 34 . HN parsed_2ro4 1
31 . . . . . . . . . . . . . . . . 14.237 . . . . A 35 . N A 35 . HN parsed_2ro4 1
32 . . . . . . . . . . . . . . . . 14.237 . . . . B 35 . N B 35 . HN parsed_2ro4 1
33 . . . . . . . . . . . . . . . . 11.273 . . . . A 36 . N A 36 . HN parsed_2ro4 1
34 . . . . . . . . . . . . . . . . 11.273 . . . . B 36 . N B 36 . HN parsed_2ro4 1
35 . . . . . . . . . . . . . . . . 22.240 . . . . A 37 . N A 37 . HN parsed_2ro4 1
36 . . . . . . . . . . . . . . . . 22.240 . . . . B 37 . N B 37 . HN parsed_2ro4 1
37 . . . . . . . . . . . . . . . . 9.433 . . . . A 38 . N A 38 . HN parsed_2ro4 1
38 . . . . . . . . . . . . . . . . 9.433 . . . . B 38 . N B 38 . HN parsed_2ro4 1
39 . . . . . . . . . . . . . . . . 6.418 . . . . A 39 . N A 39 . HN parsed_2ro4 1
40 . . . . . . . . . . . . . . . . 6.418 . . . . B 39 . N B 39 . HN parsed_2ro4 1
41 . . . . . . . . . . . . . . . . 7.098 . . . . A 42 . N A 42 . HN parsed_2ro4 1
42 . . . . . . . . . . . . . . . . 7.098 . . . . B 42 . N B 42 . HN parsed_2ro4 1
43 . . . . . . . . . . . . . . . . 13.937 . . . . A 43 . N A 43 . HN parsed_2ro4 1
44 . . . . . . . . . . . . . . . . 13.937 . . . . B 43 . N B 43 . HN parsed_2ro4 1
45 . . . . . . . . . . . . . . . . 15.402 . . . . A 45 . N A 45 . HN parsed_2ro4 1
46 . . . . . . . . . . . . . . . . 15.402 . . . . B 45 . N B 45 . HN parsed_2ro4 1
47 . . . . . . . . . . . . . . . . -0.325 . . . . A 51 . N A 51 . HN parsed_2ro4 1
48 . . . . . . . . . . . . . . . . -0.325 . . . . B 51 . N B 51 . HN parsed_2ro4 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 RDCs 1 1 1 6 parsed_2ro4 1
stop_
save_
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