NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
628574 |
5xv9   |
cing | 2-parsed | STAR | dipolar coupling | 49 |
data_5xv9_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5xv9
_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_5xv9 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5xv9
_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 5xv9 "Master copy" parsed_5xv9
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5xv9
_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 5xv9.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5xv9 1
1 5xv9.mr . . DYANA/DIANA 2 distance NOE simple 640 parsed_5xv9 1
1 5xv9.mr . . DYANA/DIANA 3 distance "hydrogen bond" simple 49 parsed_5xv9 1
1 5xv9.mr . . DYANA/DIANA 4 "dihedral angle" "Not applicable" "Not applicable" 104 parsed_5xv9 1
1 5xv9.mr . . DYANA/DIANA 5 distance NOE simple 692 parsed_5xv9 1
1 5xv9.mr . . DYANA/DIANA 6 "dipolar coupling" "Not applicable" "Not applicable" 49 parsed_5xv9 1
1 5xv9.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5xv9 1
stop_
save_
save_DYANA/DIANA_dipolar_coupling_6
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_5xv9
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 6
_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 . . . . . . . . . . . . . . . . -3.66 . . 0.25 . . 3 LYS N . 3 LYS H parsed_5xv9 1
2 . . . . . . . . . . . . . . . . 0.36 . . 0.25 . . 4 GLY N . 4 GLY H parsed_5xv9 1
3 . . . . . . . . . . . . . . . . -5.96 . . 0.25 . . 5 ILE N . 5 ILE H parsed_5xv9 1
4 . . . . . . . . . . . . . . . . -4.69 . . 0.25 . . 6 VAL N . 6 VAL H parsed_5xv9 1
5 . . . . . . . . . . . . . . . . 1.72 . . 0.25 . . 7 LYS N . 7 LYS H parsed_5xv9 1
6 . . . . . . . . . . . . . . . . 4.34 . . 0.25 . . 8 TRP N . 8 TRP H parsed_5xv9 1
7 . . . . . . . . . . . . . . . . 0.00 . . 0.25 . . 9 PHE N . 9 PHE H parsed_5xv9 1
8 . . . . . . . . . . . . . . . . 1.00 . . 0.25 . . 10 ASN N . 10 ASN H parsed_5xv9 1
9 . . . . . . . . . . . . . . . . -4.88 . . 0.25 . . 11 SER N . 11 SER H parsed_5xv9 1
10 . . . . . . . . . . . . . . . . -0.09 . . 0.25 . . 12 ASP N . 12 ASP H parsed_5xv9 1
11 . . . . . . . . . . . . . . . . -0.99 . . 0.25 . . 13 LYS N . 13 LYS H parsed_5xv9 1
12 . . . . . . . . . . . . . . . . -1.39 . . 0.25 . . 14 GLY N . 14 GLY H parsed_5xv9 1
13 . . . . . . . . . . . . . . . . 10.00 . . 0.25 . . 15 PHE N . 15 PHE H parsed_5xv9 1
14 . . . . . . . . . . . . . . . . 5.56 . . 0.25 . . 16 GLY N . 16 GLY H parsed_5xv9 1
15 . . . . . . . . . . . . . . . . 3.32 . . 0.25 . . 17 PHE N . 17 PHE H parsed_5xv9 1
16 . . . . . . . . . . . . . . . . -1.26 . . 0.25 . . 18 ILE N . 18 ILE H parsed_5xv9 1
17 . . . . . . . . . . . . . . . . -6.20 . . 0.25 . . 19 THR N . 19 THR H parsed_5xv9 1
18 . . . . . . . . . . . . . . . . 1.22 . . 0.25 . . 21 GLU N . 21 GLU H parsed_5xv9 1
19 . . . . . . . . . . . . . . . . 0.51 . . 0.25 . . 25 LYS N . 25 LYS H parsed_5xv9 1
20 . . . . . . . . . . . . . . . . 4.63 . . 0.25 . . 26 ASP N . 26 ASP H parsed_5xv9 1
21 . . . . . . . . . . . . . . . . -5.41 . . 0.25 . . 27 LEU N . 27 LEU H parsed_5xv9 1
22 . . . . . . . . . . . . . . . . -1.43 . . 0.25 . . 28 PHE N . 28 PHE H parsed_5xv9 1
23 . . . . . . . . . . . . . . . . 11.38 . . 0.25 . . 29 VAL N . 29 VAL H parsed_5xv9 1
24 . . . . . . . . . . . . . . . . 9.38 . . 0.25 . . 30 HIS N . 30 HIS H parsed_5xv9 1
25 . . . . . . . . . . . . . . . . 1.96 . . 0.25 . . 31 HIS N . 31 HIS H parsed_5xv9 1
26 . . . . . . . . . . . . . . . . 0.09 . . 0.25 . . 32 SER N . 32 SER H parsed_5xv9 1
27 . . . . . . . . . . . . . . . . -2.01 . . 0.25 . . 42 THR N . 42 THR H parsed_5xv9 1
28 . . . . . . . . . . . . . . . . 2.79 . . 0.25 . . 43 LEU N . 43 LEU H parsed_5xv9 1
29 . . . . . . . . . . . . . . . . 3.25 . . 0.25 . . 44 ALA N . 44 ALA H parsed_5xv9 1
30 . . . . . . . . . . . . . . . . 3.44 . . 0.25 . . 45 ASP N . 45 ASP H parsed_5xv9 1
31 . . . . . . . . . . . . . . . . -2.45 . . 0.25 . . 46 GLY N . 46 GLY H parsed_5xv9 1
32 . . . . . . . . . . . . . . . . 1.31 . . 0.25 . . 47 GLN N . 47 GLN H parsed_5xv9 1
33 . . . . . . . . . . . . . . . . -5.79 . . 0.25 . . 48 THR N . 48 THR H parsed_5xv9 1
34 . . . . . . . . . . . . . . . . -3.83 . . 0.25 . . 49 VAL N . 49 VAL H parsed_5xv9 1
35 . . . . . . . . . . . . . . . . -1.98 . . 0.25 . . 50 GLU N . 50 GLU H parsed_5xv9 1
36 . . . . . . . . . . . . . . . . -0.77 . . 0.25 . . 51 TYR N . 51 TYR H parsed_5xv9 1
37 . . . . . . . . . . . . . . . . 0.05 . . 0.25 . . 52 GLU N . 52 GLU H parsed_5xv9 1
38 . . . . . . . . . . . . . . . . 0.88 . . 0.25 . . 53 VAL N . 53 VAL H parsed_5xv9 1
39 . . . . . . . . . . . . . . . . 5.72 . . 0.25 . . 54 GLY N . 54 GLY H parsed_5xv9 1
40 . . . . . . . . . . . . . . . . 3.78 . . 0.25 . . 55 GLN N . 55 GLN H parsed_5xv9 1
41 . . . . . . . . . . . . . . . . 1.51 . . 0.25 . . 59 GLY N . 59 GLY H parsed_5xv9 1
42 . . . . . . . . . . . . . . . . 6.89 . . 0.25 . . 61 CYS N . 61 CYS H parsed_5xv9 1
43 . . . . . . . . . . . . . . . . 3.29 . . 0.25 . . 62 ALA N . 62 ALA H parsed_5xv9 1
44 . . . . . . . . . . . . . . . . 2.39 . . 0.25 . . 63 ASN N . 63 ASN H parsed_5xv9 1
45 . . . . . . . . . . . . . . . . -0.83 . . 0.25 . . 64 LYS N . 64 LYS H parsed_5xv9 1
46 . . . . . . . . . . . . . . . . -1.10 . . 0.25 . . 65 VAL N . 65 VAL H parsed_5xv9 1
47 . . . . . . . . . . . . . . . . -5.97 . . 0.25 . . 66 VAL N . 66 VAL H parsed_5xv9 1
48 . . . . . . . . . . . . . . . . -2.06 . . 0.25 . . 67 ALA N . 67 ALA H parsed_5xv9 1
49 . . . . . . . . . . . . . . . . 1.12 . . 0.25 . . 68 VAL N . 68 VAL H parsed_5xv9 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 "Restraints file 4: summed.rdc" 1 1 1 31 parsed_5xv9 1
2 "Tensor Magnitude Rhombicity Residue" 2 1 2 45 parsed_5xv9 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 4.19 0.456 100
#First atom Second atom RDC Error Weight Tensor
;
3 7 4 88 parsed_5xv9 1
2 1 5 37 5 38 parsed_5xv9 1
3 1 6 37 6 38 parsed_5xv9 1
4 1 7 37 7 38 parsed_5xv9 1
5 1 8 37 8 38 parsed_5xv9 1
6 1 9 37 9 38 parsed_5xv9 1
7 1 10 37 10 38 parsed_5xv9 1
8 1 11 37 11 38 parsed_5xv9 1
9 1 12 39 12 40 parsed_5xv9 1
10 1 13 39 13 40 parsed_5xv9 1
11 1 14 39 14 40 parsed_5xv9 1
12 1 15 39 15 40 parsed_5xv9 1
13 1 16 39 16 40 parsed_5xv9 1
14 1 17 39 17 40 parsed_5xv9 1
15 1 18 39 18 40 parsed_5xv9 1
16 1 19 40 19 41 parsed_5xv9 1
17 1 20 39 20 40 parsed_5xv9 1
18 1 21 39 21 40 parsed_5xv9 1
19
;
1
#22 ASP N 22 ASP H 1.37 0.25 1.00E+00 1
#23 GLY N 23 GLY H -5.85 0.25 1.00E+00 1
#24 SER N 24 SER H 5.16 0.25 1.00E+00 1
;
22 39 25 41 parsed_5xv9 1
20 1 26 39 26 40 parsed_5xv9 1
21 1 27 39 27 40 parsed_5xv9 1
22 1 28 39 28 40 parsed_5xv9 1
23 1 29 39 29 40 parsed_5xv9 1
24 1 30 39 30 40 parsed_5xv9 1
25 1 31 39 31 40 parsed_5xv9 1
26 1 32 39 32 40 parsed_5xv9 1
27
;
1
#33 GLU N 33 GLU H 2.99 0.25 1.00E+00 1
#34 ILE N 34 ILE H 2.14 0.25 1.00E+00 1
#35 GLN N 35 GLN H -3.96 0.25 1.00E+00 1
#36 SER N 36 SER H 0.17 0.25 1.00E+00 1
#37 GLY N 37 GLY H -0.58 0.25 1.00E+00 1
#38 GLY N 38 GLY H -0.05 0.25 1.00E+00 1
#39 GLU N 39 GLU H -0.46 0.25 1.00E+00 1
#40 TYR N 40 TYR H -0.80 0.25 1.00E+00 1
#41 ALA N 41 ALA H 1.31 0.25 1.00E+00 1
;
33 39 42 41 parsed_5xv9 1
28 1 43 39 43 40 parsed_5xv9 1
29 1 44 39 44 40 parsed_5xv9 1
30 1 45 39 45 40 parsed_5xv9 1
31 1 46 39 46 40 parsed_5xv9 1
32 1 47 39 47 40 parsed_5xv9 1
33 1 48 39 48 40 parsed_5xv9 1
34 1 49 39 49 40 parsed_5xv9 1
35 1 50 39 50 40 parsed_5xv9 1
36 1 51 39 51 40 parsed_5xv9 1
37 1 52 39 52 40 parsed_5xv9 1
38 1 53 39 53 40 parsed_5xv9 1
39 1 54 39 54 40 parsed_5xv9 1
40 1 55 39 55 40 parsed_5xv9 1
41
;
1
#56 GLY N 56 GLY H -0.32 0.25 1.00E+00 1
#57 GLN N 57 GLN H -7.37 0.25 1.00E+00 1
#58 LYS N 58 LYS H -4.10 0.25 1.00E+00 1
;
56 39 59 41 parsed_5xv9 1
42 1 60 39 60 40 parsed_5xv9 1
43 1 61 39 61 40 parsed_5xv9 1
44 1 62 39 62 40 parsed_5xv9 1
45 1 63 39 63 40 parsed_5xv9 1
46 1 64 39 64 40 parsed_5xv9 1
47 1 65 39 65 40 parsed_5xv9 1
48 1 66 39 66 40 parsed_5xv9 1
49 1 67 39 67 40 parsed_5xv9 1
50
;
1
;
68 39 69 1 parsed_5xv9 1
stop_
save_
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