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 |
|
|
653612 |
6llq   |
cing | 2-parsed | STAR | dipolar coupling | 74 |
data_6llq_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6llq
_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_6llq 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6llq
_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 6llq "Master copy" parsed_6llq
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6llq
_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 6llq.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6llq 1
1 6llq.mr . . DYANA/DIANA 2 "dihedral angle" "Not applicable" "Not applicable" 137 parsed_6llq 1
1 6llq.mr . . DYANA/DIANA 3 distance NOE simple 757 parsed_6llq 1
1 6llq.mr . . DYANA/DIANA 4 "dipolar coupling" "Not applicable" "Not applicable" 74 parsed_6llq 1
1 6llq.mr . . DYANA/DIANA 5 distance "hydrogen bond" simple 0 parsed_6llq 1
1 6llq.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6llq 1
stop_
save_
save_DYANA/DIANA_dipolar_coupling_4
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_6llq
_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 . . . . . . . . . . . . . . . . -5.267 . . 0.250 . . 2 ARG N . 2 ARG H parsed_6llq 1
2 . . . . . . . . . . . . . . . . -23.626 . . 0.250 . . 3 VAL N . 3 VAL H parsed_6llq 1
3 . . . . . . . . . . . . . . . . -19.315 . . 0.250 . . 4 VAL N . 4 VAL H parsed_6llq 1
4 . . . . . . . . . . . . . . . . -16.319 . . 0.250 . . 5 VAL N . 5 VAL H parsed_6llq 1
5 . . . . . . . . . . . . . . . . -6.452 . . 0.250 . . 6 VAL N . 6 VAL H parsed_6llq 1
6 . . . . . . . . . . . . . . . . -6.368 . . 0.250 . . 7 VAL N . 7 VAL H parsed_6llq 1
7 . . . . . . . . . . . . . . . . 5.578 . . 0.250 . . 8 THR N . 8 THR H parsed_6llq 1
8 . . . . . . . . . . . . . . . . 17.152 . . 0.250 . . 9 SER N . 9 SER H parsed_6llq 1
9 . . . . . . . . . . . . . . . . 15.244 . . 0.250 . . 10 GLU N . 10 GLU H parsed_6llq 1
10 . . . . . . . . . . . . . . . . 3.187 . . 0.250 . . 11 GLN N . 11 GLN H parsed_6llq 1
11 . . . . . . . . . . . . . . . . 5.493 . . 0.250 . . 12 VAL N . 12 VAL H parsed_6llq 1
12 . . . . . . . . . . . . . . . . 13.753 . . 0.250 . . 13 LYS N . 13 LYS H parsed_6llq 1
13 . . . . . . . . . . . . . . . . 9.903 . . 0.250 . . 14 GLU N . 14 GLU H parsed_6llq 1
14 . . . . . . . . . . . . . . . . 2.777 . . 0.250 . . 15 GLU N . 15 GLU H parsed_6llq 1
15 . . . . . . . . . . . . . . . . 14.888 . . 0.250 . . 16 VAL N . 16 VAL H parsed_6llq 1
16 . . . . . . . . . . . . . . . . 13.282 . . 0.250 . . 17 ARG N . 17 ARG H parsed_6llq 1
17 . . . . . . . . . . . . . . . . -1.588 . . 0.250 . . 18 LYS N . 18 LYS H parsed_6llq 1
18 . . . . . . . . . . . . . . . . 4.642 . . 0.250 . . 19 LYS N . 19 LYS H parsed_6llq 1
19 . . . . . . . . . . . . . . . . 14.691 . . 0.250 . . 20 PHE N . 20 PHE H parsed_6llq 1
20 . . . . . . . . . . . . . . . . 7.714 . . 0.250 . . 22 GLN N . 22 GLN H parsed_6llq 1
21 . . . . . . . . . . . . . . . . -1.738 . . 0.250 . . 23 VAL N . 23 VAL H parsed_6llq 1
22 . . . . . . . . . . . . . . . . -0.143 . . 0.250 . . 24 GLU N . 24 GLU H parsed_6llq 1
23 . . . . . . . . . . . . . . . . -11.542 . . 0.250 . . 25 VAL N . 25 VAL H parsed_6llq 1
24 . . . . . . . . . . . . . . . . -6.973 . . 0.250 . . 26 ARG N . 26 ARG H parsed_6llq 1
25 . . . . . . . . . . . . . . . . -14.044 . . 0.250 . . 27 VAL N . 27 VAL H parsed_6llq 1
26 . . . . . . . . . . . . . . . . 1.601 . . 0.250 . . 28 VAL N . 28 VAL H parsed_6llq 1
27 . . . . . . . . . . . . . . . . -2.248 . . 0.250 . . 29 THR N . 29 THR H parsed_6llq 1
28 . . . . . . . . . . . . . . . . -11.571 . . 0.250 . . 30 THR N . 30 THR H parsed_6llq 1
29 . . . . . . . . . . . . . . . . 10.375 . . 0.250 . . 31 GLU N . 31 GLU H parsed_6llq 1
30 . . . . . . . . . . . . . . . . 6.183 . . 0.250 . . 32 GLU N . 32 GLU H parsed_6llq 1
31 . . . . . . . . . . . . . . . . -3.157 . . 0.250 . . 34 ALA N . 34 ALA H parsed_6llq 1
32 . . . . . . . . . . . . . . . . 8.899 . . 0.250 . . 35 LYS N . 35 LYS H parsed_6llq 1
33 . . . . . . . . . . . . . . . . 7.861 . . 0.250 . . 36 GLN N . 36 GLN H parsed_6llq 1
34 . . . . . . . . . . . . . . . . -2.972 . . 0.250 . . 37 VAL N . 37 VAL H parsed_6llq 1
35 . . . . . . . . . . . . . . . . 11.262 . . 0.250 . . 39 LYS N . 39 LYS H parsed_6llq 1
36 . . . . . . . . . . . . . . . . -1.210 . . 0.250 . . 41 VAL N . 41 VAL H parsed_6llq 1
37 . . . . . . . . . . . . . . . . 2.578 . . 0.250 . . 44 LYS N . 44 LYS H parsed_6llq 1
38 . . . . . . . . . . . . . . . . 9.123 . . 0.250 . . 45 GLY N . 45 GLY H parsed_6llq 1
39 . . . . . . . . . . . . . . . . 12.254 . . 0.250 . . 46 VAL N . 46 VAL H parsed_6llq 1
40 . . . . . . . . . . . . . . . . -1.660 . . 0.250 . . 47 GLN N . 47 GLN H parsed_6llq 1
41 . . . . . . . . . . . . . . . . -16.328 . . 0.250 . . 48 LYS N . 48 LYS H parsed_6llq 1
42 . . . . . . . . . . . . . . . . -8.791 . . 0.250 . . 49 VAL N . 49 VAL H parsed_6llq 1
43 . . . . . . . . . . . . . . . . -18.748 . . 0.250 . . 50 VAL N . 50 VAL H parsed_6llq 1
44 . . . . . . . . . . . . . . . . -10.539 . . 0.250 . . 51 VAL N . 51 VAL H parsed_6llq 1
45 . . . . . . . . . . . . . . . . -4.879 . . 0.250 . . 52 VAL N . 52 VAL H parsed_6llq 1
46 . . . . . . . . . . . . . . . . 6.787 . . 0.250 . . 53 GLY N . 53 GLY H parsed_6llq 1
47 . . . . . . . . . . . . . . . . 14.768 . . 0.250 . . 54 VAL N . 54 VAL H parsed_6llq 1
48 . . . . . . . . . . . . . . . . 6.731 . . 0.250 . . 55 SER N . 55 SER H parsed_6llq 1
49 . . . . . . . . . . . . . . . . -8.496 . . 0.250 . . 56 GLU N . 56 GLU H parsed_6llq 1
50 . . . . . . . . . . . . . . . . -1.698 . . 0.250 . . 57 LYS N . 57 LYS H parsed_6llq 1
51 . . . . . . . . . . . . . . . . 3.311 . . 0.250 . . 58 VAL N . 58 VAL H parsed_6llq 1
52 . . . . . . . . . . . . . . . . -1.818 . . 0.250 . . 59 VAL N . 59 VAL H parsed_6llq 1
53 . . . . . . . . . . . . . . . . -1.735 . . 0.250 . . 60 GLN N . 60 GLN H parsed_6llq 1
54 . . . . . . . . . . . . . . . . 4.385 . . 0.250 . . 61 LYS N . 61 LYS H parsed_6llq 1
55 . . . . . . . . . . . . . . . . 3.639 . . 0.250 . . 62 VAL N . 62 VAL H parsed_6llq 1
56 . . . . . . . . . . . . . . . . -0.730 . . 0.250 . . 63 LYS N . 63 LYS H parsed_6llq 1
57 . . . . . . . . . . . . . . . . 3.604 . . 0.250 . . 64 GLN N . 64 GLN H parsed_6llq 1
58 . . . . . . . . . . . . . . . . 2.885 . . 0.250 . . 65 GLU N . 65 GLU H parsed_6llq 1
59 . . . . . . . . . . . . . . . . -10.067 . . 0.250 . . 66 ALA N . 66 ALA H parsed_6llq 1
60 . . . . . . . . . . . . . . . . -5.681 . . 0.250 . . 67 ASN N . 67 ASN H parsed_6llq 1
61 . . . . . . . . . . . . . . . . 4.025 . . 0.250 . . 68 VAL N . 68 VAL H parsed_6llq 1
62 . . . . . . . . . . . . . . . . -7.760 . . 0.250 . . 69 GLN N . 69 GLN H parsed_6llq 1
63 . . . . . . . . . . . . . . . . -14.236 . . 0.250 . . 70 VAL N . 70 VAL H parsed_6llq 1
64 . . . . . . . . . . . . . . . . -10.148 . . 0.250 . . 71 TYR N . 71 TYR H parsed_6llq 1
65 . . . . . . . . . . . . . . . . -4.471 . . 0.250 . . 72 ARG N . 72 ARG H parsed_6llq 1
66 . . . . . . . . . . . . . . . . 13.771 . . 0.250 . . 73 VAL N . 73 VAL H parsed_6llq 1
67 . . . . . . . . . . . . . . . . 1.632 . . 0.250 . . 75 SER N . 75 SER H parsed_6llq 1
68 . . . . . . . . . . . . . . . . -5.133 . . 0.250 . . 77 ASP N . 77 ASP H parsed_6llq 1
69 . . . . . . . . . . . . . . . . 9.546 . . 0.250 . . 78 GLU N . 78 GLU H parsed_6llq 1
70 . . . . . . . . . . . . . . . . -0.998 . . 0.250 . . 79 VAL N . 79 VAL H parsed_6llq 1
71 . . . . . . . . . . . . . . . . -1.275 . . 0.250 . . 80 GLU N . 80 GLU H parsed_6llq 1
72 . . . . . . . . . . . . . . . . 4.621 . . 0.250 . . 81 GLN N . 81 GLN H parsed_6llq 1
73 . . . . . . . . . . . . . . . . 0.181 . . 0.250 . . 84 LYS N . 84 LYS H parsed_6llq 1
74 . . . . . . . . . . . . . . . . -5.315 . . 0.250 . . 85 ASP N . 85 ASP H parsed_6llq 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 "First atom Second atom RDC Error Weight Tensor" 1 1 1 63 parsed_6llq 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 1 2 62 2 63 parsed_6llq 1
2 1 3 62 3 63 parsed_6llq 1
3 1 4 62 4 63 parsed_6llq 1
4 1 5 62 5 63 parsed_6llq 1
5 1 6 62 6 63 parsed_6llq 1
6 1 7 62 7 63 parsed_6llq 1
7 1 8 62 8 63 parsed_6llq 1
8 1 9 62 9 63 parsed_6llq 1
9 1 10 62 10 63 parsed_6llq 1
10 1 11 62 11 63 parsed_6llq 1
11 1 12 62 12 63 parsed_6llq 1
12 1 13 62 13 63 parsed_6llq 1
13 1 14 62 14 63 parsed_6llq 1
14 1 15 62 15 63 parsed_6llq 1
15 1 16 62 16 63 parsed_6llq 1
16 1 17 62 17 63 parsed_6llq 1
17 1 18 62 18 63 parsed_6llq 1
18 1 19 62 19 63 parsed_6llq 1
19 1 20 62 20 63 parsed_6llq 1
20 1 21 62 21 63 parsed_6llq 1
21 1 22 62 22 63 parsed_6llq 1
22 1 23 62 23 63 parsed_6llq 1
23 1 24 62 24 63 parsed_6llq 1
24 1 25 62 25 63 parsed_6llq 1
25 1 26 62 26 63 parsed_6llq 1
26 1 27 62 27 63 parsed_6llq 1
27 1 28 62 28 63 parsed_6llq 1
28 1 29 62 29 63 parsed_6llq 1
29 1 30 62 30 63 parsed_6llq 1
30 1 31 62 31 63 parsed_6llq 1
31 1 32 62 32 63 parsed_6llq 1
32 1 33 62 33 63 parsed_6llq 1
33 1 34 62 34 63 parsed_6llq 1
34 1 35 62 35 63 parsed_6llq 1
35 1 36 62 36 63 parsed_6llq 1
36 1 37 62 37 63 parsed_6llq 1
37 1 38 62 38 63 parsed_6llq 1
38 1 39 62 39 63 parsed_6llq 1
39 1 40 62 40 63 parsed_6llq 1
40 1 41 62 41 63 parsed_6llq 1
41 1 42 62 42 63 parsed_6llq 1
42 1 43 62 43 63 parsed_6llq 1
43 1 44 62 44 63 parsed_6llq 1
44 1 45 62 45 63 parsed_6llq 1
45 1 46 62 46 63 parsed_6llq 1
46 1 47 62 47 63 parsed_6llq 1
47 1 48 62 48 63 parsed_6llq 1
48 1 49 62 49 63 parsed_6llq 1
49 1 50 62 50 63 parsed_6llq 1
50 1 51 62 51 63 parsed_6llq 1
51 1 52 62 52 63 parsed_6llq 1
52 1 53 62 53 63 parsed_6llq 1
53 1 54 62 54 63 parsed_6llq 1
54 1 55 62 55 63 parsed_6llq 1
55 1 56 62 56 63 parsed_6llq 1
56 1 57 62 57 63 parsed_6llq 1
57 1 58 62 58 63 parsed_6llq 1
58 1 59 62 59 63 parsed_6llq 1
59 1 60 62 60 63 parsed_6llq 1
60 1 61 62 61 63 parsed_6llq 1
61 1 62 62 62 63 parsed_6llq 1
62 1 63 62 63 63 parsed_6llq 1
63 1 64 62 64 63 parsed_6llq 1
64 1 65 62 65 63 parsed_6llq 1
65 1 66 62 66 63 parsed_6llq 1
66 1 67 62 67 63 parsed_6llq 1
67 1 68 62 68 63 parsed_6llq 1
68 1 69 62 69 63 parsed_6llq 1
69 1 70 62 70 63 parsed_6llq 1
70 1 71 62 71 63 parsed_6llq 1
71 1 72 62 72 63 parsed_6llq 1
72 1 73 62 73 63 parsed_6llq 1
73 1 74 62 74 63 parsed_6llq 1
74 1 75 62 75 63 parsed_6llq 1
stop_
save_
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