NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
476178 |
1kr8   |
5282 | cing | 2-parsed | STAR | dipolar coupling | 38 |
data_1kr8_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1kr8
_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_1kr8 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1kr8
_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 1kr8 "Master copy" parsed_1kr8
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1kr8
_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 1kr8.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1kr8 1
1 1kr8.mr . . AMBER 2 distance NOE simple 10 parsed_1kr8 1
1 1kr8.mr . . AMBER 3 distance NOE simple 89 parsed_1kr8 1
1 1kr8.mr . . AMBER 4 "dihedral angle" "Not applicable" "Not applicable" 37 parsed_1kr8 1
1 1kr8.mr . . AMBER 5 distance NOE simple 10 parsed_1kr8 1
1 1kr8.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1kr8 1
1 1kr8.mr . . AMBER 7 "dipolar coupling" "Not applicable" "Not applicable" 38 parsed_1kr8 1
1 1kr8.mr . . n/a 8 comment "Not applicable" "Not applicable" 0 parsed_1kr8 1
1 1kr8.mr . . "MR format" 9 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1kr8 1
stop_
save_
save_AMBER_dipolar_coupling_7
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_1kr8
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 7
_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 . . . . . . . . . . . . . . . . 0.5 . . . . 1kr8_ambr001 2 C C1' 1kr8_ambr001 2 C H1' parsed_1kr8 1
2 . . . . . . . . . . . . . . . . -16.2866 . . . . 1kr8_ambr001 3 G C1' 1kr8_ambr001 3 G H1' parsed_1kr8 1
3 . . . . . . . . . . . . . . . . -0.802156 . . . . 1kr8_ambr001 6 G C1' 1kr8_ambr001 6 G H1' parsed_1kr8 1
4 . . . . . . . . . . . . . . . . -5.7556 . . . . 1kr8_ambr001 7 C C1' 1kr8_ambr001 7 C H1' parsed_1kr8 1
5 . . . . . . . . . . . . . . . . -2.581 . . . . 1kr8_ambr001 7 C C3' 1kr8_ambr001 7 C H3' parsed_1kr8 1
6 . . . . . . . . . . . . . . . . 0.0991629 . . . . 1kr8_ambr001 1 G C4' 1kr8_ambr001 1 G H4' parsed_1kr8 1
7 . . . . . . . . . . . . . . . . 8.80368 . . . . 1kr8_ambr001 2 C C4' 1kr8_ambr001 2 C H4' parsed_1kr8 1
8 . . . . . . . . . . . . . . . . -3.24612 . . . . 1kr8_ambr001 4 A C4' 1kr8_ambr001 4 A H4' parsed_1kr8 1
9 . . . . . . . . . . . . . . . . 1.38329 . . . . 1kr8_ambr001 5 A C4' 1kr8_ambr001 5 A H4' parsed_1kr8 1
10 . . . . . . . . . . . . . . . . 2.45757 . . . . 1kr8_ambr001 2 C C2' 1kr8_ambr001 2 C H2'1 parsed_1kr8 1
11 . . . . . . . . . . . . . . . . 4.63689 . . . . 1kr8_ambr001 7 C C2' 1kr8_ambr001 7 C H2'1 parsed_1kr8 1
12 . . . . . . . . . . . . . . . . 2.24222 . . . . 1kr8_ambr001 2 C C2' 1kr8_ambr001 2 C H2'2 parsed_1kr8 1
13 . . . . . . . . . . . . . . . . -0.890444 . . . . 1kr8_ambr001 7 C C2' 1kr8_ambr001 7 C H2'2 parsed_1kr8 1
14 . . . . . . . . . . . . . . . . 3.74526 . . . . 1kr8_ambr001 4 A C2 1kr8_ambr001 4 A H2 parsed_1kr8 1
15 . . . . . . . . . . . . . . . . -3.72513 . . . . 1kr8_ambr001 7 C C5 1kr8_ambr001 7 C H5 parsed_1kr8 1
16 . . . . . . . . . . . . . . . . -12.1783 . . . . 1kr8_ambr001 2 C C6 1kr8_ambr001 2 C H6 parsed_1kr8 1
17 . . . . . . . . . . . . . . . . -8.90366 . . . . 1kr8_ambr001 7 C C6 1kr8_ambr001 7 C H6 parsed_1kr8 1
18 . . . . . . . . . . . . . . . . 8.54104 . . . . 1kr8_ambr001 4 A C8 1kr8_ambr001 4 A H8 parsed_1kr8 1
19 . . . . . . . . . . . . . . . . -0.481958 . . . . 1kr8_ambr001 1 G C8 1kr8_ambr001 1 G H8 parsed_1kr8 1
20 . . . . . . . . . . . . . . . . 0.192902 . . . . 1kr8_ambr001 3 G C8 1kr8_ambr001 3 G H8 parsed_1kr8 1
21 . . . . . . . . . . . . . . . . -11.0877 . . . . 1kr8_ambr001 6 G C8 1kr8_ambr001 6 G H8 parsed_1kr8 1
22 . . . . . . . . . . . . . . . . -19.2678 . . . . 1kr8_ambr001 6 G N1 1kr8_ambr001 6 G H1 parsed_1kr8 1
23 . . . . . . . . . . . . . . . . 12.6151 . . . . 1kr8_ambr001 7 C N1 1kr8_ambr001 7 C C1' parsed_1kr8 1
24 . . . . . . . . . . . . . . . . -8.72773 . . . . 1kr8_ambr001 4 A N9 1kr8_ambr001 4 A C8 parsed_1kr8 1
25 . . . . . . . . . . . . . . . . -11.6963 . . . . 1kr8_ambr001 3 G N9 1kr8_ambr001 3 G C8 parsed_1kr8 1
26 . . . . . . . . . . . . . . . . 9.94829 . . . . 1kr8_ambr001 6 G N9 1kr8_ambr001 6 G C8 parsed_1kr8 1
27 . . . . . . . . . . . . . . . . 8.99102 . . . . 1kr8_ambr001 2 C N1 1kr8_ambr001 2 C C6 parsed_1kr8 1
28 . . . . . . . . . . . . . . . . -3.13183 . . . . 1kr8_ambr001 7 C N1 1kr8_ambr001 7 C C6 parsed_1kr8 1
29 . . . . . . . . . . . . . . . . -5.13622 . . . . 1kr8_ambr001 2 C C5 1kr8_ambr001 2 C H6 parsed_1kr8 1
30 . . . . . . . . . . . . . . . . 5.15679 . . . . 1kr8_ambr001 7 C C5 1kr8_ambr001 7 C H6 parsed_1kr8 1
31 . . . . . . . . . . . . . . . . -14.3695 . . . . 1kr8_ambr001 4 A N1 1kr8_ambr001 4 A H2 parsed_1kr8 1
32 . . . . . . . . . . . . . . . . 8.2443 . . . . 1kr8_ambr001 4 A N3 1kr8_ambr001 4 A H2 parsed_1kr8 1
33 . . . . . . . . . . . . . . . . -5.71506 . . . . 1kr8_ambr001 3 G N9 1kr8_ambr001 3 G H8 parsed_1kr8 1
34 . . . . . . . . . . . . . . . . 4.77257 . . . . 1kr8_ambr001 6 G N9 1kr8_ambr001 6 G H8 parsed_1kr8 1
35 . . . . . . . . . . . . . . . . -2.00288 . . . . 1kr8_ambr001 2 C N1 1kr8_ambr001 2 C H6 parsed_1kr8 1
36 . . . . . . . . . . . . . . . . -10.9198 . . . . 1kr8_ambr001 7 C N1 1kr8_ambr001 7 C H6 parsed_1kr8 1
37 . . . . . . . . . . . . . . . . -1.3995 . . . . 1kr8_ambr001 3 G N7 1kr8_ambr001 3 G H8 parsed_1kr8 1
38 . . . . . . . . . . . . . . . . -17.9249 . . . . 1kr8_ambr001 6 G N7 1kr8_ambr001 6 G H8 parsed_1kr8 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 "2 C C1' 2 C H1'" 1 1 1 19 parsed_1kr8 1
2 "3 G C1' 3 G H1'" 4 1 4 19 parsed_1kr8 1
3 "6 G C1' 6 G H1'" 7 1 7 19 parsed_1kr8 1
4 "7 C C1' 7 C H1'" 10 1 10 19 parsed_1kr8 1
5 "7 C C3' 7 C H3'" 13 1 13 19 parsed_1kr8 1
6 "1 G C4' 1 G H4'" 16 1 16 19 parsed_1kr8 1
7 "2 C C4' 2 C H4'" 19 1 19 19 parsed_1kr8 1
8 "4 A C4' 4 A H4'" 22 1 22 19 parsed_1kr8 1
9 "5 A C4' 5 A H4'" 25 1 25 19 parsed_1kr8 1
10 "2 C C2' 2 C H2'1" 28 1 28 20 parsed_1kr8 1
11 "7 C C2' 7 C H2'1" 31 1 31 20 parsed_1kr8 1
12 "2 C C2' 2 C H2'2" 34 1 34 20 parsed_1kr8 1
13 "7 C C2' 7 C H2'2" 37 1 37 20 parsed_1kr8 1
14 "4 A C2 4 A H2" 40 1 40 17 parsed_1kr8 1
15 "7 C C5 7 C H5" 43 1 43 17 parsed_1kr8 1
16 "2 C C6 2 C H6" 46 1 46 17 parsed_1kr8 1
17 "7 C C6 7 C H6" 49 1 49 17 parsed_1kr8 1
18 "4 A C8 4 A H8" 52 1 52 17 parsed_1kr8 1
19 "1 G C8 1 G H8" 55 1 55 17 parsed_1kr8 1
20 "3 G C8 3 G H8" 58 1 58 17 parsed_1kr8 1
21 "6 G C8 6 G H8" 61 1 61 17 parsed_1kr8 1
22 "6 G N1 6 G H1" 64 1 64 17 parsed_1kr8 1
23 "7 C N1 7 C C1'" 67 1 67 18 parsed_1kr8 1
24 "4 A N9 4 A C8" 70 1 70 17 parsed_1kr8 1
25 "3 G N9 3 G C8" 73 1 73 17 parsed_1kr8 1
26 "6 G N9 6 G C8" 76 1 76 17 parsed_1kr8 1
27 "2 C N1 2 C C6" 79 1 79 17 parsed_1kr8 1
28 "7 C N1 7 C C6" 82 1 82 17 parsed_1kr8 1
29 "2 C C5 2 C H6" 85 1 85 17 parsed_1kr8 1
30 "7 C C5 7 C H6" 88 1 88 17 parsed_1kr8 1
31 "4 A N1 4 A H2" 91 1 91 17 parsed_1kr8 1
32 "4 A N3 4 A H2" 94 1 94 17 parsed_1kr8 1
33 "3 G N9 3 G H8" 97 1 97 17 parsed_1kr8 1
34 "6 G N9 6 G H8" 100 1 100 17 parsed_1kr8 1
35 "2 C N1 2 C H6" 103 1 103 17 parsed_1kr8 1
36 "7 C N1 7 C H6" 106 1 106 17 parsed_1kr8 1
37 "3 G N7 3 G H8" 109 1 109 17 parsed_1kr8 1
38 "6 G N7 6 G H8" 112 1 112 17 parsed_1kr8 1
stop_
save_
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