NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
38814 |
1s6i   |
6104 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 46 |
data_1s6i_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1s6i
_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_1s6i 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1s6i
_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 1s6i "Master copy" parsed_1s6i
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1s6i
_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 1s6i.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1s6i 1
1 1s6i.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1s6i 1
1 1s6i.mr . . XPLOR/CNS 3 distance NOE ambi 3046 parsed_1s6i 1
1 1s6i.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1s6i 1
1 1s6i.mr . . XPLOR/CNS 5 distance NOE ambi 1200 parsed_1s6i 1
1 1s6i.mr . . XPLOR/CNS 6 distance "general distance" simple 20 parsed_1s6i 1
1 1s6i.mr . . n/a 7 comment "Not applicable" "Not applicable" 0 parsed_1s6i 1
1 1s6i.mr . . XPLOR/CNS 8 distance "hydrogen bond" simple 12 parsed_1s6i 1
1 1s6i.mr . . n/a 9 comment "Not applicable" "Not applicable" 0 parsed_1s6i 1
1 1s6i.mr . . XPLOR/CNS 10 distance "hydrogen bond" simple 46 parsed_1s6i 1
1 1s6i.mr . . unknown 11 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1s6i 1
1 1s6i.mr . . unknown 12 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_1s6i 1
1 1s6i.mr . . "MR format" 13 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1s6i 1
stop_
save_
save_CNS/XPLOR_distance_constraints_10
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1s6i
_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_1s6i 1
2 1 . . . parsed_1s6i 1
3 1 . . . parsed_1s6i 1
4 1 . . . parsed_1s6i 1
5 1 . . . parsed_1s6i 1
6 1 . . . parsed_1s6i 1
7 1 . . . parsed_1s6i 1
8 1 . . . parsed_1s6i 1
9 1 . . . parsed_1s6i 1
10 1 . . . parsed_1s6i 1
11 1 . . . parsed_1s6i 1
12 1 . . . parsed_1s6i 1
13 1 . . . parsed_1s6i 1
14 1 . . . parsed_1s6i 1
15 1 . . . parsed_1s6i 1
16 1 . . . parsed_1s6i 1
17 1 . . . parsed_1s6i 1
18 1 . . . parsed_1s6i 1
19 1 . . . parsed_1s6i 1
20 1 . . . parsed_1s6i 1
21 1 . . . parsed_1s6i 1
22 1 . . . parsed_1s6i 1
23 1 . . . parsed_1s6i 1
24 1 . . . parsed_1s6i 1
25 1 . . . parsed_1s6i 1
26 1 . . . parsed_1s6i 1
27 1 . . . parsed_1s6i 1
28 1 . . . parsed_1s6i 1
29 1 . . . parsed_1s6i 1
30 1 . . . parsed_1s6i 1
31 1 . . . parsed_1s6i 1
32 1 . . . parsed_1s6i 1
33 1 . . . parsed_1s6i 1
34 1 . . . parsed_1s6i 1
35 1 . . . parsed_1s6i 1
36 1 . . . parsed_1s6i 1
37 1 . . . parsed_1s6i 1
38 1 . . . parsed_1s6i 1
39 1 . . . parsed_1s6i 1
40 1 . . . parsed_1s6i 1
41 1 . . . parsed_1s6i 1
42 1 . . . parsed_1s6i 1
43 1 . . . parsed_1s6i 1
44 1 . . . parsed_1s6i 1
45 1 . . . parsed_1s6i 1
46 1 . . . parsed_1s6i 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 . . . . . . . . . 17 . N parsed_1s6i 1
1 1 2 . . . . . . . . . "12: 14" . O parsed_1s6i 1
2 1 1 . . . . . . . . . 17 . HN parsed_1s6i 1
2 1 2 . . . . . . . . . "12: 14" . O parsed_1s6i 1
3 1 1 . . . . . . . . . 18 . N parsed_1s6i 1
3 1 2 . . . . . . . . . "13: 15" . O parsed_1s6i 1
4 1 1 . . . . . . . . . 18 . HN parsed_1s6i 1
4 1 2 . . . . . . . . . "13: 15" . O parsed_1s6i 1
5 1 1 . . . . . . . . . 34 . N parsed_1s6i 1
5 1 2 . . . . . . . . . "29: 31" . O parsed_1s6i 1
6 1 1 . . . . . . . . . 34 . HN parsed_1s6i 1
6 1 2 . . . . . . . . . "29: 31" . O parsed_1s6i 1
7 1 1 . . . . . . . . . 35 . N parsed_1s6i 1
7 1 2 . . . . . . . . . "30: 32" . O parsed_1s6i 1
8 1 1 . . . . . . . . . 35 . HN parsed_1s6i 1
8 1 2 . . . . . . . . . "30: 32" . O parsed_1s6i 1
9 1 1 . . . . . . . . . 36 . N parsed_1s6i 1
9 1 2 . . . . . . . . . "31: 33" . O parsed_1s6i 1
10 1 1 . . . . . . . . . 36 . HN parsed_1s6i 1
10 1 2 . . . . . . . . . "31: 33" . O parsed_1s6i 1
11 1 1 . . . . . . . . . 37 . N parsed_1s6i 1
11 1 2 . . . . . . . . . "32: 34" . O parsed_1s6i 1
12 1 1 . . . . . . . . . 37 . HN parsed_1s6i 1
12 1 2 . . . . . . . . . "32: 34" . O parsed_1s6i 1
13 1 1 . . . . . . . . . 38 . N parsed_1s6i 1
13 1 2 . . . . . . . . . "33: 35" . O parsed_1s6i 1
14 1 1 . . . . . . . . . 38 . HN parsed_1s6i 1
14 1 2 . . . . . . . . . "33: 35" . O parsed_1s6i 1
15 1 1 . . . . . . . . . 50 . N parsed_1s6i 1
15 1 2 . . . . . . . . . "45: 47" . O parsed_1s6i 1
16 1 1 . . . . . . . . . 50 . HN parsed_1s6i 1
16 1 2 . . . . . . . . . "45: 47" . O parsed_1s6i 1
17 1 1 . . . . . . . . . 51 . N parsed_1s6i 1
17 1 2 . . . . . . . . . "46: 48" . O parsed_1s6i 1
18 1 1 . . . . . . . . . 51 . HN parsed_1s6i 1
18 1 2 . . . . . . . . . "46: 48" . O parsed_1s6i 1
19 1 1 . . . . . . . . . 52 . N parsed_1s6i 1
19 1 2 . . . . . . . . . "47: 49" . O parsed_1s6i 1
20 1 1 . . . . . . . . . 52 . HN parsed_1s6i 1
20 1 2 . . . . . . . . . "47: 49" . O parsed_1s6i 1
21 1 1 . . . . . . . . . 53 . N parsed_1s6i 1
21 1 2 . . . . . . . . . "48: 50" . O parsed_1s6i 1
22 1 1 . . . . . . . . . 53 . HN parsed_1s6i 1
22 1 2 . . . . . . . . . "48: 50" . O parsed_1s6i 1
23 1 1 . . . . . . . . . 54 . N parsed_1s6i 1
23 1 2 . . . . . . . . . "49: 51" . O parsed_1s6i 1
24 1 1 . . . . . . . . . 54 . HN parsed_1s6i 1
24 1 2 . . . . . . . . . "49: 51" . O parsed_1s6i 1
25 1 1 . . . . . . . . . 70 . N parsed_1s6i 1
25 1 2 . . . . . . . . . "65: 67" . O parsed_1s6i 1
26 1 1 . . . . . . . . . 70 . HN parsed_1s6i 1
26 1 2 . . . . . . . . . "65: 67" . O parsed_1s6i 1
27 1 1 . . . . . . . . . 71 . N parsed_1s6i 1
27 1 2 . . . . . . . . . "66: 68" . O parsed_1s6i 1
28 1 1 . . . . . . . . . 71 . HN parsed_1s6i 1
28 1 2 . . . . . . . . . "66: 68" . O parsed_1s6i 1
29 1 1 . . . . . . . . . 72 . N parsed_1s6i 1
29 1 2 . . . . . . . . . "67: 69" . O parsed_1s6i 1
30 1 1 . . . . . . . . . 72 . HN parsed_1s6i 1
30 1 2 . . . . . . . . . "67: 69" . O parsed_1s6i 1
31 1 1 . . . . . . . . . 73 . N parsed_1s6i 1
31 1 2 . . . . . . . . . "68: 70" . O parsed_1s6i 1
32 1 1 . . . . . . . . . 73 . HN parsed_1s6i 1
32 1 2 . . . . . . . . . "68: 70" . O parsed_1s6i 1
33 1 1 . . . . . . . . . 89 . N parsed_1s6i 1
33 1 2 . . . . . . . . . "84: 86" . O parsed_1s6i 1
34 1 1 . . . . . . . . . 89 . HN parsed_1s6i 1
34 1 2 . . . . . . . . . "84: 86" . O parsed_1s6i 1
35 1 1 . . . . . . . . . 90 . N parsed_1s6i 1
35 1 2 . . . . . . . . . "85: 87" . O parsed_1s6i 1
36 1 1 . . . . . . . . . 90 . HN parsed_1s6i 1
36 1 2 . . . . . . . . . "85: 87" . O parsed_1s6i 1
37 1 1 . . . . . . . . . 91 . N parsed_1s6i 1
37 1 2 . . . . . . . . . "86: 88" . O parsed_1s6i 1
38 1 1 . . . . . . . . . 91 . HN parsed_1s6i 1
38 1 2 . . . . . . . . . "86: 88" . O parsed_1s6i 1
39 1 1 . . . . . . . . . 106 . N parsed_1s6i 1
39 1 2 . . . . . . . . . 101:103 . O parsed_1s6i 1
40 1 1 . . . . . . . . . 106 . HN parsed_1s6i 1
40 1 2 . . . . . . . . . 101:103 . O parsed_1s6i 1
41 1 1 . . . . . . . . . 107 . N parsed_1s6i 1
41 1 2 . . . . . . . . . 102:104 . O parsed_1s6i 1
42 1 1 . . . . . . . . . 107 . HN parsed_1s6i 1
42 1 2 . . . . . . . . . 102:104 . O parsed_1s6i 1
43 1 1 . . . . . . . . . 124 . N parsed_1s6i 1
43 1 2 . . . . . . . . . 119:121 . O parsed_1s6i 1
44 1 1 . . . . . . . . . 124 . HN parsed_1s6i 1
44 1 2 . . . . . . . . . 119:121 . O parsed_1s6i 1
45 1 1 . . . . . . . . . 140 . N parsed_1s6i 1
45 1 2 . . . . . . . . . 135:137 . O parsed_1s6i 1
46 1 1 . . . . . . . . . 140 . HN parsed_1s6i 1
46 1 2 . . . . . . . . . 135:137 . O parsed_1s6i 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 . . . . . 3.2 2.2 3.2 parsed_1s6i 1
2 1 . . . . . 2.2 1.2 2.2 parsed_1s6i 1
3 1 . . . . . 3.2 2.2 3.2 parsed_1s6i 1
4 1 . . . . . 2.2 1.2 2.2 parsed_1s6i 1
5 1 . . . . . 3.2 2.2 3.2 parsed_1s6i 1
6 1 . . . . . 2.2 1.2 2.2 parsed_1s6i 1
7 1 . . . . . 3.2 2.2 3.2 parsed_1s6i 1
8 1 . . . . . 2.2 1.2 2.2 parsed_1s6i 1
9 1 . . . . . 3.2 2.2 3.2 parsed_1s6i 1
10 1 . . . . . 2.2 1.2 2.2 parsed_1s6i 1
11 1 . . . . . 3.2 2.2 3.2 parsed_1s6i 1
12 1 . . . . . 2.2 1.2 2.2 parsed_1s6i 1
13 1 . . . . . 3.2 2.2 3.2 parsed_1s6i 1
14 1 . . . . . 2.2 1.2 2.2 parsed_1s6i 1
15 1 . . . . . 3.2 2.2 3.2 parsed_1s6i 1
16 1 . . . . . 2.2 1.2 2.2 parsed_1s6i 1
17 1 . . . . . 3.2 2.2 3.2 parsed_1s6i 1
18 1 . . . . . 2.2 1.2 2.2 parsed_1s6i 1
19 1 . . . . . 3.2 2.2 3.2 parsed_1s6i 1
20 1 . . . . . 2.2 1.2 2.2 parsed_1s6i 1
21 1 . . . . . 3.2 2.2 3.2 parsed_1s6i 1
22 1 . . . . . 2.2 1.2 2.2 parsed_1s6i 1
23 1 . . . . . 3.2 2.2 3.2 parsed_1s6i 1
24 1 . . . . . 2.2 1.2 2.2 parsed_1s6i 1
25 1 . . . . . 3.2 2.2 3.2 parsed_1s6i 1
26 1 . . . . . 2.2 1.2 2.2 parsed_1s6i 1
27 1 . . . . . 3.2 2.2 3.2 parsed_1s6i 1
28 1 . . . . . 2.2 1.2 2.2 parsed_1s6i 1
29 1 . . . . . 3.2 2.2 3.2 parsed_1s6i 1
30 1 . . . . . 2.2 1.2 2.2 parsed_1s6i 1
31 1 . . . . . 3.2 2.2 3.2 parsed_1s6i 1
32 1 . . . . . 2.2 1.2 2.2 parsed_1s6i 1
33 1 . . . . . 3.2 2.2 3.2 parsed_1s6i 1
34 1 . . . . . 2.2 1.2 2.2 parsed_1s6i 1
35 1 . . . . . 3.2 2.2 3.2 parsed_1s6i 1
36 1 . . . . . 2.2 1.2 2.2 parsed_1s6i 1
37 1 . . . . . 3.2 2.2 3.2 parsed_1s6i 1
38 1 . . . . . 2.2 1.2 2.2 parsed_1s6i 1
39 1 . . . . . 3.2 2.2 3.2 parsed_1s6i 1
40 1 . . . . . 2.2 1.2 2.2 parsed_1s6i 1
41 1 . . . . . 3.2 2.2 3.2 parsed_1s6i 1
42 1 . . . . . 2.2 1.2 2.2 parsed_1s6i 1
43 1 . . . . . 3.2 2.2 3.2 parsed_1s6i 1
44 1 . . . . . 2.2 1.2 2.2 parsed_1s6i 1
45 1 . . . . . 3.2 2.2 3.2 parsed_1s6i 1
46 1 . . . . . 2.2 1.2 2.2 parsed_1s6i 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
;
dihedral angle file generated by Csi2Aria.py
CSI derived hbond restraint:
;
1 2 3 33 parsed_1s6i 1
2 "CSI derived hbond restraint:" 6 2 6 33 parsed_1s6i 1
3 "CSI derived hbond restraint:" 9 2 9 33 parsed_1s6i 1
4 "CSI derived hbond restraint:" 12 2 12 33 parsed_1s6i 1
5 "CSI derived hbond restraint:" 15 2 15 33 parsed_1s6i 1
6 "CSI derived hbond restraint:" 18 2 18 33 parsed_1s6i 1
7 "CSI derived hbond restraint:" 21 2 21 33 parsed_1s6i 1
8 "CSI derived hbond restraint:" 24 2 24 33 parsed_1s6i 1
9 "CSI derived hbond restraint:" 27 2 27 33 parsed_1s6i 1
10 "CSI derived hbond restraint:" 30 2 30 33 parsed_1s6i 1
11 "CSI derived hbond restraint:" 33 2 33 33 parsed_1s6i 1
12 "CSI derived hbond restraint:" 36 2 36 33 parsed_1s6i 1
13 "CSI derived hbond restraint:" 39 2 39 33 parsed_1s6i 1
14 "CSI derived hbond restraint:" 42 2 42 33 parsed_1s6i 1
15 "CSI derived hbond restraint:" 45 2 45 33 parsed_1s6i 1
16 "CSI derived hbond restraint:" 48 2 48 33 parsed_1s6i 1
17 "CSI derived hbond restraint:" 51 2 51 33 parsed_1s6i 1
18 "CSI derived hbond restraint:" 54 2 54 33 parsed_1s6i 1
19 "CSI derived hbond restraint:" 57 2 57 33 parsed_1s6i 1
20 "CSI derived hbond restraint:" 60 2 60 33 parsed_1s6i 1
21 "CSI derived hbond restraint:" 63 2 63 33 parsed_1s6i 1
22 "CSI derived hbond restraint:" 66 2 66 33 parsed_1s6i 1
23 "CSI derived hbond restraint:" 69 2 69 33 parsed_1s6i 1
24 "CSI derived hbond restraint:" 72 2 72 33 parsed_1s6i 1
25 "CSI derived hbond restraint:" 75 2 75 33 parsed_1s6i 1
26 "CSI derived hbond restraint:" 78 2 78 33 parsed_1s6i 1
27 "CSI derived hbond restraint:" 81 2 81 33 parsed_1s6i 1
28 "CSI derived hbond restraint:" 84 2 84 33 parsed_1s6i 1
29 "CSI derived hbond restraint:" 87 2 87 33 parsed_1s6i 1
30 "CSI derived hbond restraint:" 90 2 90 33 parsed_1s6i 1
31 "CSI derived hbond restraint:" 93 2 93 33 parsed_1s6i 1
32 "CSI derived hbond restraint:" 96 2 96 33 parsed_1s6i 1
33 "CSI derived hbond restraint:" 99 2 99 33 parsed_1s6i 1
34 "CSI derived hbond restraint:" 102 2 102 33 parsed_1s6i 1
35 "CSI derived hbond restraint:" 105 2 105 33 parsed_1s6i 1
36 "CSI derived hbond restraint:" 108 2 108 33 parsed_1s6i 1
37 "CSI derived hbond restraint:" 111 2 111 33 parsed_1s6i 1
38 "CSI derived hbond restraint:" 114 2 114 33 parsed_1s6i 1
39 "CSI derived hbond restraint:" 117 2 117 33 parsed_1s6i 1
40 "CSI derived hbond restraint:" 120 2 120 33 parsed_1s6i 1
41 "CSI derived hbond restraint:" 123 2 123 33 parsed_1s6i 1
42 "CSI derived hbond restraint:" 126 2 126 33 parsed_1s6i 1
43 "CSI derived hbond restraint:" 129 2 129 33 parsed_1s6i 1
44 "CSI derived hbond restraint:" 132 2 132 33 parsed_1s6i 1
45 "CSI derived hbond restraint:" 135 2 135 33 parsed_1s6i 1
46 "CSI derived hbond restraint:" 138 2 138 33 parsed_1s6i 1
stop_
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1 end 141 3 141 5 parsed_1s6i 1
stop_
save_
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