NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
491405 |
2jsn   |
15370 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 40 |
data_2jsn_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2jsn
_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_2jsn 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2jsn
_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 2jsn "Master copy" parsed_2jsn
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2jsn
_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 2jsn.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2jsn 1
1 2jsn.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_2jsn 1
1 2jsn.mr . . AMBER 3 stereochemistry chirality "Not applicable" 0 parsed_2jsn 1
1 2jsn.mr . . AMBER 4 "dihedral angle" "Not applicable" "Not applicable" 157 parsed_2jsn 1
1 2jsn.mr . . AMBER 5 distance "hydrogen bond" simple 40 parsed_2jsn 1
1 2jsn.mr . . AMBER 6 distance NOE simple 2233 parsed_2jsn 1
1 2jsn.mr . . PDB 7 coordinate ensemble "Not applicable" 0 parsed_2jsn 1
1 2jsn.mr . . AMBER 8 stereochemistry chirality "Not applicable" 0 parsed_2jsn 1
1 2jsn.mr . . AMBER 9 "dihedral angle" "Not applicable" "Not applicable" 157 parsed_2jsn 1
1 2jsn.mr . . AMBER 10 distance "hydrogen bond" simple 40 parsed_2jsn 1
1 2jsn.mr . . AMBER 11 distance NOE simple 0 parsed_2jsn 1
1 2jsn.mr . . PDB 12 coordinate ensemble "Not applicable" 0 parsed_2jsn 1
1 2jsn.mr . . "MR format" 13 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2jsn 1
stop_
save_
save_AMBER_distance_constraints_10
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2jsn
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 10
_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_2jsn 1
2 1 . . . parsed_2jsn 1
3 1 . . . parsed_2jsn 1
4 1 . . . parsed_2jsn 1
5 1 . . . parsed_2jsn 1
6 1 . . . parsed_2jsn 1
7 1 . . . parsed_2jsn 1
8 1 . . . parsed_2jsn 1
9 1 . . . parsed_2jsn 1
10 1 . . . parsed_2jsn 1
11 1 . . . parsed_2jsn 1
12 1 . . . parsed_2jsn 1
13 1 . . . parsed_2jsn 1
14 1 . . . parsed_2jsn 1
15 1 . . . parsed_2jsn 1
16 1 . . . parsed_2jsn 1
17 1 . . . parsed_2jsn 1
18 1 . . . parsed_2jsn 1
19 1 . . . parsed_2jsn 1
20 1 . . . parsed_2jsn 1
21 1 . . . parsed_2jsn 1
22 1 . . . parsed_2jsn 1
23 1 . . . parsed_2jsn 1
24 1 . . . parsed_2jsn 1
25 1 . . . parsed_2jsn 1
26 1 . . . parsed_2jsn 1
27 1 . . . parsed_2jsn 1
28 1 . . . parsed_2jsn 1
29 1 . . . parsed_2jsn 1
30 1 . . . parsed_2jsn 1
31 1 . . . parsed_2jsn 1
32 1 . . . parsed_2jsn 1
33 1 . . . parsed_2jsn 1
34 1 . . . parsed_2jsn 1
35 1 . . . parsed_2jsn 1
36 1 . . . parsed_2jsn 1
37 1 . . . parsed_2jsn 1
38 1 . . . parsed_2jsn 1
39 1 . . . parsed_2jsn 1
40 1 . . . parsed_2jsn 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 . . . . . . . . 2jsn_ambr001 71 GLU O parsed_2jsn 1
1 1 2 . . . . . . . . 2jsn_ambr001 75 TYR H parsed_2jsn 1
2 1 1 . . . . . . . . 2jsn_ambr001 71 GLU O parsed_2jsn 1
2 1 2 . . . . . . . . 2jsn_ambr001 75 TYR N parsed_2jsn 1
3 1 1 . . . . . . . . 2jsn_ambr001 72 VAL O parsed_2jsn 1
3 1 2 . . . . . . . . 2jsn_ambr001 76 LEU H parsed_2jsn 1
4 1 1 . . . . . . . . 2jsn_ambr001 72 VAL O parsed_2jsn 1
4 1 2 . . . . . . . . 2jsn_ambr001 76 LEU N parsed_2jsn 1
5 1 1 . . . . . . . . 2jsn_ambr001 73 LEU O parsed_2jsn 1
5 1 2 . . . . . . . . 2jsn_ambr001 77 GLY H parsed_2jsn 1
6 1 1 . . . . . . . . 2jsn_ambr001 73 LEU O parsed_2jsn 1
6 1 2 . . . . . . . . 2jsn_ambr001 77 GLY N parsed_2jsn 1
7 1 1 . . . . . . . . 2jsn_ambr001 33 HIS O parsed_2jsn 1
7 1 2 . . . . . . . . 2jsn_ambr001 36 ARG H parsed_2jsn 1
8 1 1 . . . . . . . . 2jsn_ambr001 33 HIS O parsed_2jsn 1
8 1 2 . . . . . . . . 2jsn_ambr001 36 ARG N parsed_2jsn 1
9 1 1 . . . . . . . . 2jsn_ambr001 33 HIS H parsed_2jsn 1
9 1 2 . . . . . . . . 2jsn_ambr001 36 ARG O parsed_2jsn 1
10 1 1 . . . . . . . . 2jsn_ambr001 33 HIS N parsed_2jsn 1
10 1 2 . . . . . . . . 2jsn_ambr001 36 ARG O parsed_2jsn 1
11 1 1 . . . . . . . . 2jsn_ambr001 31 LYS O parsed_2jsn 1
11 1 2 . . . . . . . . 2jsn_ambr001 38 LEU H parsed_2jsn 1
12 1 1 . . . . . . . . 2jsn_ambr001 31 LYS O parsed_2jsn 1
12 1 2 . . . . . . . . 2jsn_ambr001 38 LEU N parsed_2jsn 1
13 1 1 . . . . . . . . 2jsn_ambr001 31 LYS H parsed_2jsn 1
13 1 2 . . . . . . . . 2jsn_ambr001 38 LEU O parsed_2jsn 1
14 1 1 . . . . . . . . 2jsn_ambr001 31 LYS N parsed_2jsn 1
14 1 2 . . . . . . . . 2jsn_ambr001 38 LEU O parsed_2jsn 1
15 1 1 . . . . . . . . 2jsn_ambr001 62 ASN O parsed_2jsn 1
15 1 2 . . . . . . . . 2jsn_ambr001 65 TYR H parsed_2jsn 1
16 1 1 . . . . . . . . 2jsn_ambr001 62 ASN O parsed_2jsn 1
16 1 2 . . . . . . . . 2jsn_ambr001 65 TYR N parsed_2jsn 1
17 1 1 . . . . . . . . 2jsn_ambr001 62 ASN H parsed_2jsn 1
17 1 2 . . . . . . . . 2jsn_ambr001 65 TYR O parsed_2jsn 1
18 1 1 . . . . . . . . 2jsn_ambr001 62 ASN N parsed_2jsn 1
18 1 2 . . . . . . . . 2jsn_ambr001 65 TYR O parsed_2jsn 1
19 1 1 . . . . . . . . 2jsn_ambr001 57 ASN H parsed_2jsn 1
19 1 2 . . . . . . . . 2jsn_ambr001 85 SER O parsed_2jsn 1
20 1 1 . . . . . . . . 2jsn_ambr001 57 ASN N parsed_2jsn 1
20 1 2 . . . . . . . . 2jsn_ambr001 85 SER O parsed_2jsn 1
21 1 1 . . . . . . . . 2jsn_ambr001 55 ALA O parsed_2jsn 1
21 1 2 . . . . . . . . 2jsn_ambr001 87 ARG H parsed_2jsn 1
22 1 1 . . . . . . . . 2jsn_ambr001 55 ALA O parsed_2jsn 1
22 1 2 . . . . . . . . 2jsn_ambr001 87 ARG N parsed_2jsn 1
23 1 1 . . . . . . . . 2jsn_ambr001 55 ALA H parsed_2jsn 1
23 1 2 . . . . . . . . 2jsn_ambr001 87 ARG O parsed_2jsn 1
24 1 1 . . . . . . . . 2jsn_ambr001 55 ALA N parsed_2jsn 1
24 1 2 . . . . . . . . 2jsn_ambr001 87 ARG O parsed_2jsn 1
25 1 1 . . . . . . . . 2jsn_ambr001 52 ALA O parsed_2jsn 1
25 1 2 . . . . . . . . 2jsn_ambr001 89 GLY H parsed_2jsn 1
26 1 1 . . . . . . . . 2jsn_ambr001 52 ALA O parsed_2jsn 1
26 1 2 . . . . . . . . 2jsn_ambr001 89 GLY N parsed_2jsn 1
27 1 1 . . . . . . . . 2jsn_ambr001 52 ALA H parsed_2jsn 1
27 1 2 . . . . . . . . 2jsn_ambr001 89 GLY O parsed_2jsn 1
28 1 1 . . . . . . . . 2jsn_ambr001 52 ALA N parsed_2jsn 1
28 1 2 . . . . . . . . 2jsn_ambr001 89 GLY O parsed_2jsn 1
29 1 1 . . . . . . . . 2jsn_ambr001 56 ILE O parsed_2jsn 1
29 1 2 . . . . . . . . 2jsn_ambr001 59 MET H parsed_2jsn 1
30 1 1 . . . . . . . . 2jsn_ambr001 56 ILE O parsed_2jsn 1
30 1 2 . . . . . . . . 2jsn_ambr001 59 MET N parsed_2jsn 1
31 1 1 . . . . . . . . 2jsn_ambr001 56 ILE H parsed_2jsn 1
31 1 2 . . . . . . . . 2jsn_ambr001 59 MET O parsed_2jsn 1
32 1 1 . . . . . . . . 2jsn_ambr001 56 ILE N parsed_2jsn 1
32 1 2 . . . . . . . . 2jsn_ambr001 59 MET O parsed_2jsn 1
33 1 1 . . . . . . . . 2jsn_ambr001 54 LEU O parsed_2jsn 1
33 1 2 . . . . . . . . 2jsn_ambr001 61 VAL H parsed_2jsn 1
34 1 1 . . . . . . . . 2jsn_ambr001 54 LEU O parsed_2jsn 1
34 1 2 . . . . . . . . 2jsn_ambr001 61 VAL N parsed_2jsn 1
35 1 1 . . . . . . . . 2jsn_ambr001 22 PHE H parsed_2jsn 1
35 1 2 . . . . . . . . 2jsn_ambr001 84 VAL O parsed_2jsn 1
36 1 1 . . . . . . . . 2jsn_ambr001 22 PHE N parsed_2jsn 1
36 1 2 . . . . . . . . 2jsn_ambr001 84 VAL O parsed_2jsn 1
37 1 1 . . . . . . . . 2jsn_ambr001 22 PHE O parsed_2jsn 1
37 1 2 . . . . . . . . 2jsn_ambr001 84 VAL H parsed_2jsn 1
38 1 1 . . . . . . . . 2jsn_ambr001 22 PHE O parsed_2jsn 1
38 1 2 . . . . . . . . 2jsn_ambr001 84 VAL N parsed_2jsn 1
39 1 1 . . . . . . . . 2jsn_ambr001 64 ARG O parsed_2jsn 1
39 1 2 . . . . . . . . 2jsn_ambr001 72 VAL H parsed_2jsn 1
40 1 1 . . . . . . . . 2jsn_ambr001 64 ARG O parsed_2jsn 1
40 1 2 . . . . . . . . 2jsn_ambr001 72 VAL N parsed_2jsn 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 . . . . . 2.00 1.80 2.50 parsed_2jsn 1
2 1 . . . . . 3.00 1.80 3.50 parsed_2jsn 1
3 1 . . . . . 2.00 1.80 2.50 parsed_2jsn 1
4 1 . . . . . 3.00 1.80 3.50 parsed_2jsn 1
5 1 . . . . . 2.00 1.80 2.50 parsed_2jsn 1
6 1 . . . . . 3.00 1.80 3.50 parsed_2jsn 1
7 1 . . . . . 2.00 1.80 2.50 parsed_2jsn 1
8 1 . . . . . 3.00 1.80 3.50 parsed_2jsn 1
9 1 . . . . . 2.00 1.80 2.50 parsed_2jsn 1
10 1 . . . . . 3.00 1.80 3.50 parsed_2jsn 1
11 1 . . . . . 2.00 1.80 2.50 parsed_2jsn 1
12 1 . . . . . 3.00 1.80 3.50 parsed_2jsn 1
13 1 . . . . . 2.00 1.80 2.50 parsed_2jsn 1
14 1 . . . . . 3.00 1.80 3.50 parsed_2jsn 1
15 1 . . . . . 2.00 1.80 2.50 parsed_2jsn 1
16 1 . . . . . 3.00 1.80 3.50 parsed_2jsn 1
17 1 . . . . . 2.00 1.80 2.50 parsed_2jsn 1
18 1 . . . . . 3.00 1.80 3.50 parsed_2jsn 1
19 1 . . . . . 2.00 1.80 2.50 parsed_2jsn 1
20 1 . . . . . 3.00 1.80 3.50 parsed_2jsn 1
21 1 . . . . . 2.00 1.80 2.50 parsed_2jsn 1
22 1 . . . . . 3.00 1.80 3.50 parsed_2jsn 1
23 1 . . . . . 2.00 1.80 2.50 parsed_2jsn 1
24 1 . . . . . 3.00 1.80 3.50 parsed_2jsn 1
25 1 . . . . . 2.00 1.80 2.50 parsed_2jsn 1
26 1 . . . . . 3.00 1.80 3.50 parsed_2jsn 1
27 1 . . . . . 2.00 1.80 2.50 parsed_2jsn 1
28 1 . . . . . 3.00 1.80 3.50 parsed_2jsn 1
29 1 . . . . . 2.00 1.80 2.50 parsed_2jsn 1
30 1 . . . . . 3.00 1.80 3.50 parsed_2jsn 1
31 1 . . . . . 2.00 1.80 2.50 parsed_2jsn 1
32 1 . . . . . 3.00 1.80 3.50 parsed_2jsn 1
33 1 . . . . . 2.00 1.80 2.50 parsed_2jsn 1
34 1 . . . . . 3.00 1.80 3.50 parsed_2jsn 1
35 1 . . . . . 2.00 1.80 2.50 parsed_2jsn 1
36 1 . . . . . 3.00 1.80 3.50 parsed_2jsn 1
37 1 . . . . . 2.00 1.80 2.50 parsed_2jsn 1
38 1 . . . . . 3.00 1.80 3.50 parsed_2jsn 1
39 1 . . . . . 2.00 1.80 2.50 parsed_2jsn 1
40 1 . . . . . 3.00 1.80 3.50 parsed_2jsn 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 "71 GLU- O 75 TYR HN 2.00" 2 1 3 40 parsed_2jsn 1
2 "71 GLU- O 75 TYR N 3.00" 8 1 9 40 parsed_2jsn 1
3 "72 VAL O 76 LEU HN 2.00" 12 1 13 40 parsed_2jsn 1
4 "72 VAL O 76 LEU N 3.00" 16 1 17 40 parsed_2jsn 1
5 "73 LEU O 77 GLY HN 2.00" 20 1 21 40 parsed_2jsn 1
6 "73 LEU O 77 GLY N 3.00" 24 1 25 40 parsed_2jsn 1
7 "33 HIS O 36 ARG+ HN 2.00" 28 1 29 40 parsed_2jsn 1
8 "33 HIS O 36 ARG+ N 3.00" 32 1 33 40 parsed_2jsn 1
9 "33 HIS HN 36 ARG+ O 2.00" 36 1 37 40 parsed_2jsn 1
10 "33 HIS N 36 ARG+ O 3.00" 40 1 41 40 parsed_2jsn 1
11 "31 LYS+ O 38 LEU HN 2.00" 44 1 45 40 parsed_2jsn 1
12 "31 LYS+ O 38 LEU N 3.00" 48 1 49 40 parsed_2jsn 1
13 "31 LYS+ HN 38 LEU O 2.00" 52 1 53 40 parsed_2jsn 1
14 "31 LYS+ N 38 LEU O 3.00" 56 1 57 40 parsed_2jsn 1
15 "62 ASN O 65 TYR HN 2.00" 60 1 61 40 parsed_2jsn 1
16 "62 ASN O 65 TYR N 3.00" 64 1 65 40 parsed_2jsn 1
17 "62 ASN HN 65 TYR O 2.00" 68 1 69 40 parsed_2jsn 1
18 "62 ASN N 65 TYR O 3.00" 72 1 73 40 parsed_2jsn 1
19 "57 ASN HN 85 SER O 2.00" 76 1 77 40 parsed_2jsn 1
20 "57 ASN N 85 SER O 3.00" 80 1 81 40 parsed_2jsn 1
21 "55 ALA O 87 ARG+ HN 2.00" 84 1 85 40 parsed_2jsn 1
22 "55 ALA O 87 ARG+ N 3.00" 88 1 89 40 parsed_2jsn 1
23 "55 ALA HN 87 ARG+ O 2.00" 92 1 93 40 parsed_2jsn 1
24 "55 ALA N 87 ARG+ O 3.00" 96 1 97 40 parsed_2jsn 1
25 "52 ALA O 89 GLY HN 2.00" 100 1 101 40 parsed_2jsn 1
26 "52 ALA O 89 GLY N 3.00" 104 1 105 40 parsed_2jsn 1
27 "52 ALA HN 89 GLY O 2.00" 108 1 109 40 parsed_2jsn 1
28 "52 ALA N 89 GLY O 3.00" 112 1 113 40 parsed_2jsn 1
29 "56 ILE O 59 MET HN 2.00" 116 1 117 40 parsed_2jsn 1
30 "56 ILE O 59 MET N 3.00" 120 1 121 40 parsed_2jsn 1
31 "56 ILE HN 59 MET O 2.00" 124 1 125 40 parsed_2jsn 1
32 "56 ILE N 59 MET O 3.00" 128 1 129 40 parsed_2jsn 1
33 "54 LEU O 61 VAL HN 2.00" 132 1 133 40 parsed_2jsn 1
34 "54 LEU O 61 VAL N 3.00" 136 1 137 40 parsed_2jsn 1
35 "22 PHE HN 84 VAL O 2.00" 140 1 141 40 parsed_2jsn 1
36 "22 PHE N 84 VAL O 3.00" 144 1 145 40 parsed_2jsn 1
37 "22 PHE O 84 VAL HN 2.00" 148 1 149 40 parsed_2jsn 1
38 "22 PHE O 84 VAL N 3.00" 152 1 153 40 parsed_2jsn 1
39 "64 ARG+ O 72 VAL HN 2.00" 156 1 157 40 parsed_2jsn 1
40 "64 ARG+ O 72 VAL N 3.00" 160 1 161 40 parsed_2jsn 1
stop_
save_
Contact the webmaster for help, if required. Friday, May 10, 2024 4:46:03 PM GMT (wattos1)