NMR Restraints Grid
| |
NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
51962 |
2kc7   |
16064 | cing | 2-parsed | STAR | dipolar coupling | 55 |
data_2kc7_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2kc7
_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_2kc7 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2kc7
_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 2kc7 "Master copy" parsed_2kc7
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2kc7
_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 2kc7.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kc7 1
1 2kc7.mr . . DYANA/DIANA 2 distance NOE simple 2434 parsed_2kc7 1
1 2kc7.mr . . DYANA/DIANA 3 "dihedral angle" "Not applicable" "Not applicable" 126 parsed_2kc7 1
1 2kc7.mr . . unknown 4 unknown "Not applicable" "Not applicable" 0 parsed_2kc7 1
1 2kc7.mr . . DYANA/DIANA 5 "dipolar coupling" "Not applicable" "Not applicable" 55 parsed_2kc7 1
1 2kc7.mr . . DYANA/DIANA 6 distance "hydrogen bond" simple 0 parsed_2kc7 1
1 2kc7.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kc7 1
stop_
save_
save_DYANA/DIANA_dipolar_coupling_5
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2kc7
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 5
_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 . . . . . . . . . . . . . . . . -12.3 . . 2.0 . . 5 LYS H . 5 LYS N parsed_2kc7 1
2 . . . . . . . . . . . . . . . . -9.4 . . 1.5 . . 6 THR H . 6 THR N parsed_2kc7 1
3 . . . . . . . . . . . . . . . . -13.7 . . 2.0 . . 7 ILE H . 7 ILE N parsed_2kc7 1
4 . . . . . . . . . . . . . . . . -11.6 . . 1.5 . . 9 GLU H . 9 GLU N parsed_2kc7 1
5 . . . . . . . . . . . . . . . . -11.2 . . 1.5 . . 10 LEU H . 10 LEU N parsed_2kc7 1
6 . . . . . . . . . . . . . . . . -12.8 . . 2.0 . . 12 ASN H . 12 ASN N parsed_2kc7 1
7 . . . . . . . . . . . . . . . . -9.0 . . 1.5 . . 13 GLN H . 13 GLN N parsed_2kc7 1
8 . . . . . . . . . . . . . . . . -11.4 . . 2.6 . . 14 GLY H . 14 GLY N parsed_2kc7 1
9 . . . . . . . . . . . . . . . . -8.7 . . 1.5 . . 17 GLU H . 17 GLU N parsed_2kc7 1
10 . . . . . . . . . . . . . . . . 1.0 . . 1.5 . . 18 ASN H . 18 ASN N parsed_2kc7 1
11 . . . . . . . . . . . . . . . . -11.2 . . 1.5 . . 19 ALA H . 19 ALA N parsed_2kc7 1
12 . . . . . . . . . . . . . . . . -12.1 . . 1.8 . . 20 LEU H . 20 LEU N parsed_2kc7 1
13 . . . . . . . . . . . . . . . . -7.1 . . 1.8 . . 21 GLN H . 21 GLN N parsed_2kc7 1
14 . . . . . . . . . . . . . . . . -4.4 . . 1.5 . . 22 ALA H . 22 ALA N parsed_2kc7 1
15 . . . . . . . . . . . . . . . . -13.3 . . 1.5 . . 23 LEU H . 23 LEU N parsed_2kc7 1
16 . . . . . . . . . . . . . . . . -6.0 . . 1.7 . . 25 GLU H . 25 GLU N parsed_2kc7 1
17 . . . . . . . . . . . . . . . . -8.9 . . 2.4 . . 26 PHE H . 26 PHE N parsed_2kc7 1
18 . . . . . . . . . . . . . . . . -12.9 . . 1.5 . . 27 LEU H . 27 LEU N parsed_2kc7 1
19 . . . . . . . . . . . . . . . . -7.0 . . 1.5 . . 28 GLN H . 28 GLN N parsed_2kc7 1
20 . . . . . . . . . . . . . . . . -12.6 . . 2.0 . . 34 LYS H . 34 LYS N parsed_2kc7 1
21 . . . . . . . . . . . . . . . . -9.7 . . 1.5 . . 35 ASP H . 35 ASP N parsed_2kc7 1
22 . . . . . . . . . . . . . . . . -11.2 . . 2.2 . . 36 GLU H . 36 GLU N parsed_2kc7 1
23 . . . . . . . . . . . . . . . . -11.6 . . 2.8 . . 37 ALA H . 37 ALA N parsed_2kc7 1
24 . . . . . . . . . . . . . . . . -14.1 . . 1.5 . . 38 TYR H . 38 TYR N parsed_2kc7 1
25 . . . . . . . . . . . . . . . . -11.8 . . 2.0 . . 39 TYR H . 39 TYR N parsed_2kc7 1
26 . . . . . . . . . . . . . . . . -13.1 . . 1.6 . . 40 LEU H . 40 LEU N parsed_2kc7 1
27 . . . . . . . . . . . . . . . . -11.4 . . 2.5 . . 41 MET H . 41 MET N parsed_2kc7 1
28 . . . . . . . . . . . . . . . . -11.4 . . 1.5 . . 42 GLY H . 42 GLY N parsed_2kc7 1
29 . . . . . . . . . . . . . . . . -13.1 . . 2.0 . . 43 ASN H . 43 ASN N parsed_2kc7 1
30 . . . . . . . . . . . . . . . . -12.2 . . 1.5 . . 44 ALA H . 44 ALA N parsed_2kc7 1
31 . . . . . . . . . . . . . . . . -13.2 . . 1.7 . . 45 TYR H . 45 TYR N parsed_2kc7 1
32 . . . . . . . . . . . . . . . . -10.4 . . 1.5 . . 46 ARG H . 46 ARG N parsed_2kc7 1
33 . . . . . . . . . . . . . . . . -13.0 . . 1.5 . . 47 LYS H . 47 LYS N parsed_2kc7 1
34 . . . . . . . . . . . . . . . . -11.3 . . 2.4 . . 48 LEU H . 48 LEU N parsed_2kc7 1
35 . . . . . . . . . . . . . . . . -8.7 . . 1.5 . . 52 GLN H . 52 GLN N parsed_2kc7 1
36 . . . . . . . . . . . . . . . . -12.5 . . 1.5 . . 53 LYS H . 53 LYS N parsed_2kc7 1
37 . . . . . . . . . . . . . . . . -11.8 . . 1.4 . . 54 ALA H . 54 ALA N parsed_2kc7 1
38 . . . . . . . . . . . . . . . . -9.5 . . 1.5 . . 55 LEU H . 55 LEU N parsed_2kc7 1
39 . . . . . . . . . . . . . . . . -12.7 . . 1.5 . . 57 ASN H . 57 ASN N parsed_2kc7 1
40 . . . . . . . . . . . . . . . . -12.2 . . 1.5 . . 58 TYR H . 58 TYR N parsed_2kc7 1
41 . . . . . . . . . . . . . . . . -6.2 . . 1.5 . . 59 GLN H . 59 GLN N parsed_2kc7 1
42 . . . . . . . . . . . . . . . . -13.5 . . 1.5 . . 60 SER H . 60 SER N parsed_2kc7 1
43 . . . . . . . . . . . . . . . . -13.1 . . 1.6 . . 61 ALA H . 61 ALA N parsed_2kc7 1
44 . . . . . . . . . . . . . . . . -8.7 . . 1.5 . . 62 ILE H . 62 ILE N parsed_2kc7 1
45 . . . . . . . . . . . . . . . . -7.1 . . 1.6 . . 63 GLU H . 63 GLU N parsed_2kc7 1
46 . . . . . . . . . . . . . . . . -10.6 . . 3.1 . . 64 LEU H . 64 LEU N parsed_2kc7 1
47 . . . . . . . . . . . . . . . . -9.6 . . 2.0 . . 71 LEU H . 71 LEU N parsed_2kc7 1
48 . . . . . . . . . . . . . . . . -3.6 . . 1.5 . . 72 GLN H . 72 GLN N parsed_2kc7 1
49 . . . . . . . . . . . . . . . . -12.0 . . 1.5 . . 73 ALA H . 73 ALA N parsed_2kc7 1
50 . . . . . . . . . . . . . . . . -11.5 . . 1.5 . . 74 ARG H . 74 ARG N parsed_2kc7 1
51 . . . . . . . . . . . . . . . . -2.3 . . 1.9 . . 75 LYS H . 75 LYS N parsed_2kc7 1
52 . . . . . . . . . . . . . . . . -7.9 . . 1.5 . . 76 MET H . 76 MET N parsed_2kc7 1
53 . . . . . . . . . . . . . . . . -13.5 . . 1.5 . . 77 VAL H . 77 VAL N parsed_2kc7 1
54 . . . . . . . . . . . . . . . . -4.7 . . 1.6 . . 78 MET H . 78 MET N parsed_2kc7 1
55 . . . . . . . . . . . . . . . . -8.9 . . 2.5 . . 80 ILE H . 80 ILE N parsed_2kc7 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 Orientation" 1 1 1 72 parsed_2kc7 1
2 "3 GLN H 3 GLN N -6.6 2.5 1.0 1" 2 1 2 51 parsed_2kc7 1
3 "4 LEU H 4 LEU N -7.6 1.5 1.0 1" 3 1 3 51 parsed_2kc7 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 50 4 51 parsed_2kc7 1
2 1 5 50 5 51 parsed_2kc7 1
3 1 6 50 6 51 parsed_2kc7 1
4 1 7 50 7 51 parsed_2kc7 1
5 1 8 50 8 51 parsed_2kc7 1
6 1 9 50 9 51 parsed_2kc7 1
7 1 10 50 10 51 parsed_2kc7 1
8
;
1
# 15 ASP H 15 ASP N 2.5 1.8 1.0 1
# 16 ILE H 16 ILE N -10.9 1.8 1.0 1
;
11 50 13 52 parsed_2kc7 1
9 1 14 50 14 51 parsed_2kc7 1
10 1 15 50 15 51 parsed_2kc7 1
11 1 16 50 16 51 parsed_2kc7 1
12 1 17 50 17 51 parsed_2kc7 1
13 1 18 50 18 51 parsed_2kc7 1
14 1 19 50 19 51 parsed_2kc7 1
15 1 20 50 20 51 parsed_2kc7 1
16 1 21 50 21 51 parsed_2kc7 1
17 1 22 50 22 51 parsed_2kc7 1
18 1 23 50 23 51 parsed_2kc7 1
19
;
1
# 29 THR H 29 THR N -0.9 1.5 1.0 1
# 32 VAL H 32 VAL N -1.8 1.5 1.0 1
# 33 GLY H 33 GLY N -7.5 1.5 1.0 1
;
24 50 27 52 parsed_2kc7 1
20 1 28 50 28 51 parsed_2kc7 1
21 1 29 50 29 51 parsed_2kc7 1
22 1 30 50 30 51 parsed_2kc7 1
23 1 31 50 31 51 parsed_2kc7 1
24 1 32 50 32 51 parsed_2kc7 1
25 1 33 50 33 51 parsed_2kc7 1
26 1 34 50 34 51 parsed_2kc7 1
27 1 35 50 35 51 parsed_2kc7 1
28 1 36 50 36 51 parsed_2kc7 1
29 1 37 50 37 51 parsed_2kc7 1
30 1 38 50 38 51 parsed_2kc7 1
31 1 39 50 39 51 parsed_2kc7 1
32 1 40 50 40 51 parsed_2kc7 1
33 1 41 50 41 51 parsed_2kc7 1
34
;
1
# 49 GLY H 49 GLY N 1.3 1.5 1.0 1
# 51 TRP H 51 TRP N -13.3 1.5 1.0 1
;
42 50 44 52 parsed_2kc7 1
35 1 45 50 45 51 parsed_2kc7 1
36 1 46 50 46 51 parsed_2kc7 1
37 1 47 50 47 51 parsed_2kc7 1
38 1 48 50 48 51 parsed_2kc7 1
39 1 49 50 49 51 parsed_2kc7 1
40 1 50 50 50 51 parsed_2kc7 1
41 1 51 50 51 51 parsed_2kc7 1
42 1 52 50 52 51 parsed_2kc7 1
43 1 53 50 53 51 parsed_2kc7 1
44 1 54 50 54 51 parsed_2kc7 1
45 1 55 50 55 51 parsed_2kc7 1
46
;
1
# 65 ASN H 65 ASN N -8.6 2.0 1.0 1
# 67 ASP H 67 ASP N -10.5 2.0 1.0 1
# 68 SER H 68 SER N 14.9 2.4 1.0 1
# 70 ALA H 70 ALA N -11.9 1.6 1.0 1
;
56 50 60 52 parsed_2kc7 1
47 1 61 50 61 51 parsed_2kc7 1
48 1 62 50 62 51 parsed_2kc7 1
49 1 63 50 63 51 parsed_2kc7 1
50 1 64 50 64 51 parsed_2kc7 1
51 1 65 50 65 51 parsed_2kc7 1
52 1 66 50 66 51 parsed_2kc7 1
53 1 67 50 67 51 parsed_2kc7 1
54 1 68 50 68 51 parsed_2kc7 1
55 1 69 50 69 51 parsed_2kc7 1
stop_
save_
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