NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
499631 |
2kxn   |
16920 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 44 |
data_2kxn_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2kxn
_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_2kxn 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2kxn
_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 2kxn "Master copy" parsed_2kxn
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2kxn
_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 2kxn.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kxn 1
1 2kxn.mr . . AMBER 2 distance NOE simple 1367 parsed_2kxn 1
1 2kxn.mr . . AMBER 3 distance "hydrogen bond" simple 44 parsed_2kxn 1
1 2kxn.mr . . AMBER 4 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2kxn 1
1 2kxn.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kxn 1
stop_
save_
save_AMBER_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2kxn
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 3
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . parsed_2kxn 1
2 1 . . . parsed_2kxn 1
3 1 . . . parsed_2kxn 1
4 1 . . . parsed_2kxn 1
5 1 . . . parsed_2kxn 1
6 1 . . . parsed_2kxn 1
7 1 . . . parsed_2kxn 1
8 1 . . . parsed_2kxn 1
9 1 . . . parsed_2kxn 1
10 1 . . . parsed_2kxn 1
11 1 . . . parsed_2kxn 1
12 1 . . . parsed_2kxn 1
13 1 . . . parsed_2kxn 1
14 1 . . . parsed_2kxn 1
15 1 . . . parsed_2kxn 1
16 1 . . . parsed_2kxn 1
17 1 . . . parsed_2kxn 1
18 1 . . . parsed_2kxn 1
19 1 . . . parsed_2kxn 1
20 1 . . . parsed_2kxn 1
21 1 . . . parsed_2kxn 1
22 1 . . . parsed_2kxn 1
23 1 . . . parsed_2kxn 1
24 1 . . . parsed_2kxn 1
25 1 . . . parsed_2kxn 1
26 1 . . . parsed_2kxn 1
27 1 . . . parsed_2kxn 1
28 1 . . . parsed_2kxn 1
29 1 . . . parsed_2kxn 1
30 1 . . . parsed_2kxn 1
31 1 . . . parsed_2kxn 1
32 1 . . . parsed_2kxn 1
33 1 . . . parsed_2kxn 1
34 1 . . . parsed_2kxn 1
35 1 . . . parsed_2kxn 1
36 1 . . . parsed_2kxn 1
37 1 . . . parsed_2kxn 1
38 1 . . . parsed_2kxn 1
39 1 . . . parsed_2kxn 1
40 1 . . . parsed_2kxn 1
41 1 . . . parsed_2kxn 1
42 1 . . . parsed_2kxn 1
43 1 . . . parsed_2kxn 1
44 1 . . . parsed_2kxn 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 . . . . . . . . 2kxn_ambr002 45 VAL H parsed_2kxn 1
1 1 2 . . . . . . . . 2kxn_ambr002 56 PHE O parsed_2kxn 1
2 1 1 . . . . . . . . 2kxn_ambr002 56 PHE H parsed_2kxn 1
2 1 2 . . . . . . . . 2kxn_ambr002 45 VAL O parsed_2kxn 1
3 1 1 . . . . . . . . 2kxn_ambr002 43 SER H parsed_2kxn 1
3 1 2 . . . . . . . . 2kxn_ambr002 58 PHE O parsed_2kxn 1
4 1 1 . . . . . . . . 2kxn_ambr002 58 PHE H parsed_2kxn 1
4 1 2 . . . . . . . . 2kxn_ambr002 43 SER O parsed_2kxn 1
5 1 1 . . . . . . . . 2kxn_ambr002 41 ASP H parsed_2kxn 1
5 1 2 . . . . . . . . 2kxn_ambr002 60 TYR O parsed_2kxn 1
6 1 1 . . . . . . . . 2kxn_ambr002 60 TYR H parsed_2kxn 1
6 1 2 . . . . . . . . 2kxn_ambr002 41 ASP O parsed_2kxn 1
7 1 1 . . . . . . . . 2kxn_ambr002 57 ALA H parsed_2kxn 1
7 1 2 . . . . . . . . 2kxn_ambr002 17 VAL O parsed_2kxn 1
8 1 1 . . . . . . . . 2kxn_ambr002 17 VAL H parsed_2kxn 1
8 1 2 . . . . . . . . 2kxn_ambr002 57 ALA O parsed_2kxn 1
9 1 1 . . . . . . . . 2kxn_ambr002 59 VAL H parsed_2kxn 1
9 1 2 . . . . . . . . 2kxn_ambr002 15 LEU O parsed_2kxn 1
10 1 1 . . . . . . . . 2kxn_ambr002 15 LEU H parsed_2kxn 1
10 1 2 . . . . . . . . 2kxn_ambr002 59 VAL O parsed_2kxn 1
11 1 1 . . . . . . . . 2kxn_ambr002 18 PHE H parsed_2kxn 1
11 1 2 . . . . . . . . 2kxn_ambr002 85 ARG O parsed_2kxn 1
12 1 1 . . . . . . . . 2kxn_ambr002 85 ARG H parsed_2kxn 1
12 1 2 . . . . . . . . 2kxn_ambr002 18 PHE O parsed_2kxn 1
13 1 1 . . . . . . . . 2kxn_ambr002 16 GLY H parsed_2kxn 1
13 1 2 . . . . . . . . 2kxn_ambr002 87 ASP O parsed_2kxn 1
14 1 1 . . . . . . . . 2kxn_ambr002 87 ASP H parsed_2kxn 1
14 1 2 . . . . . . . . 2kxn_ambr002 16 GLY O parsed_2kxn 1
15 1 1 . . . . . . . . 2kxn_ambr002 72 GLU H parsed_2kxn 1
15 1 2 . . . . . . . . 2kxn_ambr002 68 LYS O parsed_2kxn 1
16 1 1 . . . . . . . . 2kxn_ambr002 67 ALA H parsed_2kxn 1
16 1 2 . . . . . . . . 2kxn_ambr002 63 ASN O parsed_2kxn 1
17 1 1 . . . . . . . . 2kxn_ambr002 74 ALA H parsed_2kxn 1
17 1 2 . . . . . . . . 2kxn_ambr002 70 ALA O parsed_2kxn 1
18 1 1 . . . . . . . . 2kxn_ambr002 68 LYS H parsed_2kxn 1
18 1 2 . . . . . . . . 2kxn_ambr002 64 VAL O parsed_2kxn 1
19 1 1 . . . . . . . . 2kxn_ambr002 30 ARG H parsed_2kxn 1
19 1 2 . . . . . . . . 2kxn_ambr002 26 GLU O parsed_2kxn 1
20 1 1 . . . . . . . . 2kxn_ambr002 34 SER H parsed_2kxn 1
20 1 2 . . . . . . . . 2kxn_ambr002 30 ARG O parsed_2kxn 1
21 1 1 . . . . . . . . 2kxn_ambr002 33 PHE H parsed_2kxn 1
21 1 2 . . . . . . . . 2kxn_ambr002 29 LEU O parsed_2kxn 1
22 1 1 . . . . . . . . 2kxn_ambr002 29 LEU H parsed_2kxn 1
22 1 2 . . . . . . . . 2kxn_ambr002 25 THR O parsed_2kxn 1
23 1 1 . . . . . . . . 2kxn_ambr002 45 VAL N parsed_2kxn 1
23 1 2 . . . . . . . . 2kxn_ambr002 56 PHE O parsed_2kxn 1
24 1 1 . . . . . . . . 2kxn_ambr002 56 PHE N parsed_2kxn 1
24 1 2 . . . . . . . . 2kxn_ambr002 45 VAL O parsed_2kxn 1
25 1 1 . . . . . . . . 2kxn_ambr002 43 SER N parsed_2kxn 1
25 1 2 . . . . . . . . 2kxn_ambr002 58 PHE O parsed_2kxn 1
26 1 1 . . . . . . . . 2kxn_ambr002 58 PHE N parsed_2kxn 1
26 1 2 . . . . . . . . 2kxn_ambr002 43 SER O parsed_2kxn 1
27 1 1 . . . . . . . . 2kxn_ambr002 41 ASP N parsed_2kxn 1
27 1 2 . . . . . . . . 2kxn_ambr002 60 TYR O parsed_2kxn 1
28 1 1 . . . . . . . . 2kxn_ambr002 60 TYR N parsed_2kxn 1
28 1 2 . . . . . . . . 2kxn_ambr002 41 ASP O parsed_2kxn 1
29 1 1 . . . . . . . . 2kxn_ambr002 57 ALA N parsed_2kxn 1
29 1 2 . . . . . . . . 2kxn_ambr002 17 VAL O parsed_2kxn 1
30 1 1 . . . . . . . . 2kxn_ambr002 17 VAL N parsed_2kxn 1
30 1 2 . . . . . . . . 2kxn_ambr002 57 ALA O parsed_2kxn 1
31 1 1 . . . . . . . . 2kxn_ambr002 59 VAL N parsed_2kxn 1
31 1 2 . . . . . . . . 2kxn_ambr002 15 LEU O parsed_2kxn 1
32 1 1 . . . . . . . . 2kxn_ambr002 15 LEU N parsed_2kxn 1
32 1 2 . . . . . . . . 2kxn_ambr002 59 VAL O parsed_2kxn 1
33 1 1 . . . . . . . . 2kxn_ambr002 18 PHE N parsed_2kxn 1
33 1 2 . . . . . . . . 2kxn_ambr002 85 ARG O parsed_2kxn 1
34 1 1 . . . . . . . . 2kxn_ambr002 85 ARG N parsed_2kxn 1
34 1 2 . . . . . . . . 2kxn_ambr002 18 PHE O parsed_2kxn 1
35 1 1 . . . . . . . . 2kxn_ambr002 16 GLY N parsed_2kxn 1
35 1 2 . . . . . . . . 2kxn_ambr002 87 ASP O parsed_2kxn 1
36 1 1 . . . . . . . . 2kxn_ambr002 87 ASP N parsed_2kxn 1
36 1 2 . . . . . . . . 2kxn_ambr002 16 GLY O parsed_2kxn 1
37 1 1 . . . . . . . . 2kxn_ambr002 72 GLU N parsed_2kxn 1
37 1 2 . . . . . . . . 2kxn_ambr002 68 LYS O parsed_2kxn 1
38 1 1 . . . . . . . . 2kxn_ambr002 67 ALA N parsed_2kxn 1
38 1 2 . . . . . . . . 2kxn_ambr002 63 ASN O parsed_2kxn 1
39 1 1 . . . . . . . . 2kxn_ambr002 74 ALA N parsed_2kxn 1
39 1 2 . . . . . . . . 2kxn_ambr002 70 ALA O parsed_2kxn 1
40 1 1 . . . . . . . . 2kxn_ambr002 68 LYS N parsed_2kxn 1
40 1 2 . . . . . . . . 2kxn_ambr002 64 VAL O parsed_2kxn 1
41 1 1 . . . . . . . . 2kxn_ambr002 30 ARG N parsed_2kxn 1
41 1 2 . . . . . . . . 2kxn_ambr002 26 GLU O parsed_2kxn 1
42 1 1 . . . . . . . . 2kxn_ambr002 34 SER N parsed_2kxn 1
42 1 2 . . . . . . . . 2kxn_ambr002 30 ARG O parsed_2kxn 1
43 1 1 . . . . . . . . 2kxn_ambr002 33 PHE N parsed_2kxn 1
43 1 2 . . . . . . . . 2kxn_ambr002 29 LEU O parsed_2kxn 1
44 1 1 . . . . . . . . 2kxn_ambr002 29 LEU N parsed_2kxn 1
44 1 2 . . . . . . . . 2kxn_ambr002 25 THR O parsed_2kxn 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 2.40 1.80 2.90 parsed_2kxn 1
2 1 . . . . . 2.40 1.80 2.90 parsed_2kxn 1
3 1 . . . . . 2.40 1.80 2.90 parsed_2kxn 1
4 1 . . . . . 2.40 1.80 2.90 parsed_2kxn 1
5 1 . . . . . 2.40 1.80 2.90 parsed_2kxn 1
6 1 . . . . . 2.40 1.80 2.90 parsed_2kxn 1
7 1 . . . . . 2.40 1.80 2.90 parsed_2kxn 1
8 1 . . . . . 2.40 1.80 2.90 parsed_2kxn 1
9 1 . . . . . 2.40 1.80 2.90 parsed_2kxn 1
10 1 . . . . . 2.40 1.80 2.90 parsed_2kxn 1
11 1 . . . . . 2.40 1.80 2.90 parsed_2kxn 1
12 1 . . . . . 2.40 1.80 2.90 parsed_2kxn 1
13 1 . . . . . 2.40 1.80 2.90 parsed_2kxn 1
14 1 . . . . . 2.40 1.80 2.90 parsed_2kxn 1
15 1 . . . . . 2.40 1.80 2.90 parsed_2kxn 1
16 1 . . . . . 2.40 1.80 2.90 parsed_2kxn 1
17 1 . . . . . 2.40 1.80 2.90 parsed_2kxn 1
18 1 . . . . . 2.40 1.80 2.90 parsed_2kxn 1
19 1 . . . . . 2.40 1.80 2.90 parsed_2kxn 1
20 1 . . . . . 2.40 1.80 2.90 parsed_2kxn 1
21 1 . . . . . 2.40 1.80 2.90 parsed_2kxn 1
22 1 . . . . . 2.40 1.80 2.90 parsed_2kxn 1
23 1 . . . . . 3.40 2.40 3.90 parsed_2kxn 1
24 1 . . . . . 3.40 2.40 3.90 parsed_2kxn 1
25 1 . . . . . 3.40 2.40 3.90 parsed_2kxn 1
26 1 . . . . . 3.40 2.40 3.90 parsed_2kxn 1
27 1 . . . . . 3.40 2.40 3.90 parsed_2kxn 1
28 1 . . . . . 3.40 2.40 3.90 parsed_2kxn 1
29 1 . . . . . 3.40 2.40 3.90 parsed_2kxn 1
30 1 . . . . . 3.40 2.40 3.90 parsed_2kxn 1
31 1 . . . . . 3.40 2.40 3.90 parsed_2kxn 1
32 1 . . . . . 3.40 2.40 3.90 parsed_2kxn 1
33 1 . . . . . 3.40 2.40 3.90 parsed_2kxn 1
34 1 . . . . . 3.40 2.40 3.90 parsed_2kxn 1
35 1 . . . . . 3.40 2.40 3.90 parsed_2kxn 1
36 1 . . . . . 3.40 2.40 3.90 parsed_2kxn 1
37 1 . . . . . 3.40 2.40 3.90 parsed_2kxn 1
38 1 . . . . . 3.40 2.40 3.90 parsed_2kxn 1
39 1 . . . . . 3.40 2.40 3.90 parsed_2kxn 1
40 1 . . . . . 3.40 2.40 3.90 parsed_2kxn 1
41 1 . . . . . 3.40 2.40 3.90 parsed_2kxn 1
42 1 . . . . . 3.40 2.40 3.90 parsed_2kxn 1
43 1 . . . . . 3.40 2.40 3.90 parsed_2kxn 1
44 1 . . . . . 3.40 2.40 3.90 parsed_2kxn 1
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1 "51 VAL H 62 PHE O 1.8 2.4" 1 1 2 28 parsed_2kxn 1
2 "62 PHE H 51 VAL O 1.8 2.4" 7 1 8 28 parsed_2kxn 1
3 "49 SER H 64 PHE O 1.8 2.4" 11 1 12 28 parsed_2kxn 1
4 "64 PHE H 49 SER O 1.8 2.4" 15 1 16 28 parsed_2kxn 1
5 "47 ASP H 66 TYR O 1.8 2.4" 19 1 20 28 parsed_2kxn 1
6 "66 TYR H 47 ASP O 1.8 2.4" 23 1 24 28 parsed_2kxn 1
7 "63 ALA H 23 VAL O 1.8 2.4" 27 1 28 28 parsed_2kxn 1
8 "23 VAL H 63 ALA O 1.8 2.4" 31 1 32 28 parsed_2kxn 1
9 "65 VAL H 21 LEU O 1.8 2.4" 35 1 36 28 parsed_2kxn 1
10 "21 LEU H 65 VAL O 1.8 2.4" 39 1 40 28 parsed_2kxn 1
11 "24 PHE H 91 ARG O 1.8 2.4" 43 1 44 28 parsed_2kxn 1
12 "91 ARG H 24 PHE O 1.8 2.4" 47 1 48 28 parsed_2kxn 1
13 "22 GLY H 93 ASP O 1.8 2.4" 51 1 52 28 parsed_2kxn 1
14 "93 ASP H 22 GLY O 1.8 2.4" 55 1 56 28 parsed_2kxn 1
15 "78 GLU H 74 LYS O 1.8 2.4" 59 1 60 28 parsed_2kxn 1
16 "73 ALA H 69 ASN O 1.8 2.4" 63 1 64 28 parsed_2kxn 1
17 "80 ALA H 76 ALA O 1.8 2.4" 67 1 68 28 parsed_2kxn 1
18 "74 LYS H 70 VAL O 1.8 2.4" 71 1 72 28 parsed_2kxn 1
19 "36 ARG H 32 GLU O 1.8 2.4" 75 1 76 28 parsed_2kxn 1
20 "40 SER H 36 ARG O 1.8 2.4" 79 1 80 28 parsed_2kxn 1
21 "39 PHE H 35 LEU O 1.8 2.4" 83 1 84 28 parsed_2kxn 1
22 "35 LEU H 31 THR O 1.8 2.4" 87 1 88 28 parsed_2kxn 1
23 "51 VAL N 62 PHE O 2.4 3.4" 91 1 92 28 parsed_2kxn 1
24 "62 PHE N 51 VAL O 2.4 3.4" 95 1 96 28 parsed_2kxn 1
25 "49 SER N 64 PHE O 2.4 3.4" 99 1 100 28 parsed_2kxn 1
26 "64 PHE N 49 SER O 2.4 3.4" 103 1 104 28 parsed_2kxn 1
27 "47 ASP N 66 TYR O 2.4 3.4" 107 1 108 28 parsed_2kxn 1
28 "66 TYR N 47 ASP O 2.4 3.4" 111 1 112 28 parsed_2kxn 1
29 "63 ALA N 23 VAL O 2.4 3.4" 115 1 116 28 parsed_2kxn 1
30 "23 VAL N 63 ALA O 2.4 3.4" 119 1 120 28 parsed_2kxn 1
31 "65 VAL N 21 LEU O 2.4 3.4" 123 1 124 28 parsed_2kxn 1
32 "21 LEU N 65 VAL O 2.4 3.4" 127 1 128 28 parsed_2kxn 1
33 "24 PHE N 91 ARG O 2.4 3.4" 131 1 132 28 parsed_2kxn 1
34 "91 ARG N 24 PHE O 2.4 3.4" 135 1 136 28 parsed_2kxn 1
35 "22 GLY N 93 ASP O 2.4 3.4" 139 1 140 28 parsed_2kxn 1
36 "93 ASP N 22 GLY O 2.4 3.4" 143 1 144 28 parsed_2kxn 1
37 "78 GLU N 74 LYS O 2.4 3.4" 147 1 148 28 parsed_2kxn 1
38 "73 ALA N 69 ASN O 2.4 3.4" 151 1 152 28 parsed_2kxn 1
39 "80 ALA N 76 ALA O 2.4 3.4" 155 1 156 28 parsed_2kxn 1
40 "74 LYS N 70 VAL O 2.4 3.4" 159 1 160 28 parsed_2kxn 1
41 "36 ARG N 32 GLU O 2.4 3.4" 163 1 164 28 parsed_2kxn 1
42 "40 SER N 36 ARG O 2.4 3.4" 167 1 168 28 parsed_2kxn 1
43 "39 PHE N 35 LEU O 2.4 3.4" 171 1 172 28 parsed_2kxn 1
44 "35 LEU N 31 THR O 2.4 3.4" 175 1 176 28 parsed_2kxn 1
stop_
save_
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