NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
28774 |
149d   |
cing | 2-parsed | STAR | distance | hydrogen bond | simple | 58 |
data_149d_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_149d
_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_149d 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_149d
_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 149d "Master copy" parsed_149d
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_149d
_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 149d.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_149d 1
1 149d.mr . . XPLOR/CNS 2 distance NOE simple 226 parsed_149d 1
1 149d.mr . . XPLOR/CNS 3 distance NOE simple 94 parsed_149d 1
1 149d.mr . . XPLOR/CNS 4 distance NOE simple 52 parsed_149d 1
1 149d.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 58 parsed_149d 1
1 149d.mr . . XPLOR/CNS 6 distance "NOE not seen" simple 0 parsed_149d 1
1 149d.mr . . XPLOR/CNS 7 distance "NOE build-up" simple 0 parsed_149d 1
1 149d.mr . . XPLOR/CNS 8 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_149d 1
1 149d.mr . . "MR format" 9 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_149d 1
stop_
save_
save_CNS/XPLOR_distance_constraints_5
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_149d
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 5
_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_149d 1
2 1 . . . parsed_149d 1
3 1 . . . parsed_149d 1
4 1 . . . parsed_149d 1
5 1 . . . parsed_149d 1
6 1 . . . parsed_149d 1
7 1 . . . parsed_149d 1
8 1 . . . parsed_149d 1
9 1 . . . parsed_149d 1
10 1 . . . parsed_149d 1
11 1 . . . parsed_149d 1
12 1 . . . parsed_149d 1
13 1 . . . parsed_149d 1
14 1 . . . parsed_149d 1
15 1 . . . parsed_149d 1
16 1 . . . parsed_149d 1
17 1 . . . parsed_149d 1
18 1 . . . parsed_149d 1
19 1 . . . parsed_149d 1
20 1 . . . parsed_149d 1
21 1 . . . parsed_149d 1
22 1 . . . parsed_149d 1
23 1 . . . parsed_149d 1
24 1 . . . parsed_149d 1
25 1 . . . parsed_149d 1
26 1 . . . parsed_149d 1
27 1 . . . parsed_149d 1
28 1 . . . parsed_149d 1
29 1 . . . parsed_149d 1
30 1 . . . parsed_149d 1
31 1 . . . parsed_149d 1
32 1 . . . parsed_149d 1
33 1 . . . parsed_149d 1
34 1 . . . parsed_149d 1
35 1 . . . parsed_149d 1
36 1 . . . parsed_149d 1
37 1 . . . parsed_149d 1
38 1 . . . parsed_149d 1
39 1 . . . parsed_149d 1
40 1 . . . parsed_149d 1
41 1 . . . parsed_149d 1
42 1 . . . parsed_149d 1
43 1 . . . parsed_149d 1
44 1 . . . parsed_149d 1
45 1 . . . parsed_149d 1
46 1 . . . parsed_149d 1
47 1 . . . parsed_149d 1
48 1 . . . parsed_149d 1
49 1 . . . parsed_149d 1
50 1 . . . parsed_149d 1
51 1 . . . parsed_149d 1
52 1 . . . parsed_149d 1
53 1 . . . parsed_149d 1
54 1 . . . parsed_149d 1
55 1 . . . parsed_149d 1
56 1 . . . parsed_149d 1
57 1 . . . parsed_149d 1
58 1 . . . parsed_149d 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 . . . . . . . . GTA1 1 . N3 parsed_149d 1
1 1 2 . . . . . . . . GTA2 14 . H1 parsed_149d 1
2 1 1 . . . . . . . . GTA1 1 . H42 parsed_149d 1
2 1 2 . . . . . . . . GTA2 14 . O6 parsed_149d 1
3 1 1 . . . . . . . . GTA1 1 . O2 parsed_149d 1
3 1 2 . . . . . . . . GTA2 14 . H22 parsed_149d 1
4 1 1 . . . . . . . . GTA1 2 . N3 parsed_149d 1
4 1 2 . . . . . . . . GTA2 13 . H1 parsed_149d 1
5 1 1 . . . . . . . . GTA1 2 . H42 parsed_149d 1
5 1 2 . . . . . . . . GTA2 13 . O6 parsed_149d 1
6 1 1 . . . . . . . . GTA1 2 . O2 parsed_149d 1
6 1 2 . . . . . . . . GTA2 13 . H22 parsed_149d 1
7 1 1 . . . . . . . . GTA1 3 . H3 parsed_149d 1
7 1 2 . . . . . . . . GTA2 12 . N1 parsed_149d 1
8 1 1 . . . . . . . . GTA1 3 . O4 parsed_149d 1
8 1 2 . . . . . . . . GTA2 12 . H61 parsed_149d 1
9 1 1 . . . . . . . . GTA1 4 . N1 parsed_149d 1
9 1 2 . . . . . . . . GTA2 11 . H3 parsed_149d 1
10 1 1 . . . . . . . . GTA1 4 . H61 parsed_149d 1
10 1 2 . . . . . . . . GTA2 11 . O4 parsed_149d 1
11 1 1 . . . . . . . . GTA1 5 . H3 parsed_149d 1
11 1 2 . . . . . . . . GTA2 10 . N1 parsed_149d 1
12 1 1 . . . . . . . . GTA1 5 . O4 parsed_149d 1
12 1 2 . . . . . . . . GTA2 10 . H61 parsed_149d 1
13 1 1 . . . . . . . . GTA1 6 . H3 parsed_149d 1
13 1 2 . . . . . . . . GTA2 9 . N1 parsed_149d 1
14 1 1 . . . . . . . . GTA1 6 . O4 parsed_149d 1
14 1 2 . . . . . . . . GTA2 9 . H61 parsed_149d 1
15 1 1 . . . . . . . . GTA1 7 . N3 parsed_149d 1
15 1 2 . . . . . . . . GTA2 8 . H1 parsed_149d 1
16 1 1 . . . . . . . . GTA1 7 . H42 parsed_149d 1
16 1 2 . . . . . . . . GTA2 8 . O6 parsed_149d 1
17 1 1 . . . . . . . . GTA1 7 . O2 parsed_149d 1
17 1 2 . . . . . . . . GTA2 8 . H22 parsed_149d 1
18 1 1 . . . . . . . . GTA2 8 . N7 parsed_149d 1
18 1 2 . . . . . . . . GTA3 15 . H3 parsed_149d 1
19 1 1 . . . . . . . . GTA2 8 . O6 parsed_149d 1
19 1 2 . . . . . . . . GTA3 15 . H42 parsed_149d 1
20 1 1 . . . . . . . . GTA2 9 . N7 parsed_149d 1
20 1 2 . . . . . . . . GTA3 16 . H3 parsed_149d 1
21 1 1 . . . . . . . . GTA2 9 . H62 parsed_149d 1
21 1 2 . . . . . . . . GTA3 16 . O4 parsed_149d 1
22 1 1 . . . . . . . . GTA2 10 . N7 parsed_149d 1
22 1 2 . . . . . . . . GTA3 17 . H3 parsed_149d 1
23 1 1 . . . . . . . . GTA2 10 . H62 parsed_149d 1
23 1 2 . . . . . . . . GTA3 17 . O4 parsed_149d 1
24 1 1 . . . . . . . . GTA2 12 . N7 parsed_149d 1
24 1 2 . . . . . . . . GTA3 19 . H3 parsed_149d 1
25 1 1 . . . . . . . . GTA2 12 . H62 parsed_149d 1
25 1 2 . . . . . . . . GTA3 19 . O4 parsed_149d 1
26 1 1 . . . . . . . . GTA2 13 . N7 parsed_149d 1
26 1 2 . . . . . . . . GTA3 20 . H3 parsed_149d 1
27 1 1 . . . . . . . . GTA2 13 . O6 parsed_149d 1
27 1 2 . . . . . . . . GTA3 20 . H42 parsed_149d 1
28 1 1 . . . . . . . . GTA2 14 . N7 parsed_149d 1
28 1 2 . . . . . . . . GTA3 21 . H3 parsed_149d 1
29 1 1 . . . . . . . . GTA2 14 . O6 parsed_149d 1
29 1 2 . . . . . . . . GTA3 21 . H42 parsed_149d 1
30 1 1 . . . . . . . . GTA1 1 . N3 parsed_149d 1
30 1 2 . . . . . . . . GTA2 14 . N1 parsed_149d 1
31 1 1 . . . . . . . . GTA1 1 . N4 parsed_149d 1
31 1 2 . . . . . . . . GTA2 14 . O6 parsed_149d 1
32 1 1 . . . . . . . . GTA1 1 . O2 parsed_149d 1
32 1 2 . . . . . . . . GTA2 14 . N2 parsed_149d 1
33 1 1 . . . . . . . . GTA1 2 . N3 parsed_149d 1
33 1 2 . . . . . . . . GTA2 13 . N1 parsed_149d 1
34 1 1 . . . . . . . . GTA1 2 . N4 parsed_149d 1
34 1 2 . . . . . . . . GTA2 13 . O6 parsed_149d 1
35 1 1 . . . . . . . . GTA1 2 . O2 parsed_149d 1
35 1 2 . . . . . . . . GTA2 13 . N2 parsed_149d 1
36 1 1 . . . . . . . . GTA1 3 . N3 parsed_149d 1
36 1 2 . . . . . . . . GTA2 12 . N1 parsed_149d 1
37 1 1 . . . . . . . . GTA1 3 . O4 parsed_149d 1
37 1 2 . . . . . . . . GTA2 12 . N6 parsed_149d 1
38 1 1 . . . . . . . . GTA1 4 . N1 parsed_149d 1
38 1 2 . . . . . . . . GTA2 11 . N3 parsed_149d 1
39 1 1 . . . . . . . . GTA1 4 . N6 parsed_149d 1
39 1 2 . . . . . . . . GTA2 11 . O4 parsed_149d 1
40 1 1 . . . . . . . . GTA1 5 . N3 parsed_149d 1
40 1 2 . . . . . . . . GTA2 10 . N1 parsed_149d 1
41 1 1 . . . . . . . . GTA1 5 . O4 parsed_149d 1
41 1 2 . . . . . . . . GTA2 10 . N6 parsed_149d 1
42 1 1 . . . . . . . . GTA1 6 . N3 parsed_149d 1
42 1 2 . . . . . . . . GTA2 9 . N1 parsed_149d 1
43 1 1 . . . . . . . . GTA1 6 . O4 parsed_149d 1
43 1 2 . . . . . . . . GTA2 9 . N6 parsed_149d 1
44 1 1 . . . . . . . . GTA1 7 . N3 parsed_149d 1
44 1 2 . . . . . . . . GTA2 8 . N1 parsed_149d 1
45 1 1 . . . . . . . . GTA1 7 . N4 parsed_149d 1
45 1 2 . . . . . . . . GTA2 8 . O6 parsed_149d 1
46 1 1 . . . . . . . . GTA1 7 . O2 parsed_149d 1
46 1 2 . . . . . . . . GTA2 8 . N2 parsed_149d 1
47 1 1 . . . . . . . . GTA2 8 . N7 parsed_149d 1
47 1 2 . . . . . . . . GTA3 15 . N3 parsed_149d 1
48 1 1 . . . . . . . . GTA2 8 . O6 parsed_149d 1
48 1 2 . . . . . . . . GTA3 15 . N4 parsed_149d 1
49 1 1 . . . . . . . . GTA2 9 . N7 parsed_149d 1
49 1 2 . . . . . . . . GTA3 16 . N3 parsed_149d 1
50 1 1 . . . . . . . . GTA2 9 . N6 parsed_149d 1
50 1 2 . . . . . . . . GTA3 16 . O4 parsed_149d 1
51 1 1 . . . . . . . . GTA2 10 . N7 parsed_149d 1
51 1 2 . . . . . . . . GTA3 17 . N3 parsed_149d 1
52 1 1 . . . . . . . . GTA2 10 . N6 parsed_149d 1
52 1 2 . . . . . . . . GTA3 17 . O4 parsed_149d 1
53 1 1 . . . . . . . . GTA2 12 . N7 parsed_149d 1
53 1 2 . . . . . . . . GTA3 19 . N3 parsed_149d 1
54 1 1 . . . . . . . . GTA2 12 . N6 parsed_149d 1
54 1 2 . . . . . . . . GTA3 19 . O4 parsed_149d 1
55 1 1 . . . . . . . . GTA2 13 . N7 parsed_149d 1
55 1 2 . . . . . . . . GTA3 20 . N3 parsed_149d 1
56 1 1 . . . . . . . . GTA2 13 . O6 parsed_149d 1
56 1 2 . . . . . . . . GTA3 20 . N4 parsed_149d 1
57 1 1 . . . . . . . . GTA2 14 . N7 parsed_149d 1
57 1 2 . . . . . . . . GTA3 21 . N3 parsed_149d 1
58 1 1 . . . . . . . . GTA2 14 . O6 parsed_149d 1
58 1 2 . . . . . . . . GTA3 21 . N4 parsed_149d 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 . . . . . 1.940 1.840 2.040 parsed_149d 1
2 1 . . . . . 1.900 1.800 2.000 parsed_149d 1
3 1 . . . . . 1.840 1.740 1.940 parsed_149d 1
4 1 . . . . . 1.940 1.840 2.040 parsed_149d 1
5 1 . . . . . 1.900 1.800 2.000 parsed_149d 1
6 1 . . . . . 1.840 1.740 1.940 parsed_149d 1
7 1 . . . . . 1.810 1.710 1.910 parsed_149d 1
8 1 . . . . . 1.840 1.740 1.940 parsed_149d 1
9 1 . . . . . 1.810 1.710 1.910 parsed_149d 1
10 1 . . . . . 1.840 1.740 1.940 parsed_149d 1
11 1 . . . . . 1.810 1.710 1.910 parsed_149d 1
12 1 . . . . . 1.840 1.740 1.940 parsed_149d 1
13 1 . . . . . 1.810 1.710 1.910 parsed_149d 1
14 1 . . . . . 1.840 1.740 1.940 parsed_149d 1
15 1 . . . . . 1.940 1.840 2.040 parsed_149d 1
16 1 . . . . . 1.900 1.800 2.000 parsed_149d 1
17 1 . . . . . 1.840 1.740 1.940 parsed_149d 1
18 1 . . . . . 1.940 1.840 2.040 parsed_149d 1
19 1 . . . . . 1.900 1.800 2.000 parsed_149d 1
20 1 . . . . . 1.880 1.780 1.980 parsed_149d 1
21 1 . . . . . 1.820 1.720 1.920 parsed_149d 1
22 1 . . . . . 1.880 1.780 1.980 parsed_149d 1
23 1 . . . . . 1.820 1.720 1.920 parsed_149d 1
24 1 . . . . . 1.880 1.780 1.980 parsed_149d 1
25 1 . . . . . 1.820 1.720 1.920 parsed_149d 1
26 1 . . . . . 1.940 1.840 2.040 parsed_149d 1
27 1 . . . . . 1.900 1.800 2.000 parsed_149d 1
28 1 . . . . . 1.940 1.840 2.040 parsed_149d 1
29 1 . . . . . 1.900 1.800 2.000 parsed_149d 1
30 1 . . . . . 2.950 2.850 3.050 parsed_149d 1
31 1 . . . . . 2.910 2.810 3.010 parsed_149d 1
32 1 . . . . . 2.860 2.760 2.960 parsed_149d 1
33 1 . . . . . 2.950 2.850 3.050 parsed_149d 1
34 1 . . . . . 2.910 2.810 3.010 parsed_149d 1
35 1 . . . . . 2.860 2.760 2.960 parsed_149d 1
36 1 . . . . . 2.820 2.720 2.920 parsed_149d 1
37 1 . . . . . 2.950 2.850 3.050 parsed_149d 1
38 1 . . . . . 2.820 2.720 2.920 parsed_149d 1
39 1 . . . . . 2.950 2.850 3.050 parsed_149d 1
40 1 . . . . . 2.820 2.720 2.920 parsed_149d 1
41 1 . . . . . 2.950 2.850 3.050 parsed_149d 1
42 1 . . . . . 2.820 2.720 2.920 parsed_149d 1
43 1 . . . . . 2.950 2.850 3.050 parsed_149d 1
44 1 . . . . . 2.950 2.850 3.050 parsed_149d 1
45 1 . . . . . 2.910 2.810 3.010 parsed_149d 1
46 1 . . . . . 2.860 2.760 2.960 parsed_149d 1
47 1 . . . . . 2.950 2.850 3.050 parsed_149d 1
48 1 . . . . . 2.910 2.810 3.010 parsed_149d 1
49 1 . . . . . 2.927 2.827 3.027 parsed_149d 1
50 1 . . . . . 2.861 2.761 2.961 parsed_149d 1
51 1 . . . . . 2.927 2.827 3.027 parsed_149d 1
52 1 . . . . . 2.861 2.761 2.961 parsed_149d 1
53 1 . . . . . 2.927 2.827 3.027 parsed_149d 1
54 1 . . . . . 2.861 2.761 2.961 parsed_149d 1
55 1 . . . . . 2.950 2.850 3.050 parsed_149d 1
56 1 . . . . . 2.910 2.810 3.010 parsed_149d 1
57 1 . . . . . 2.950 2.850 3.050 parsed_149d 1
58 1 . . . . . 2.910 2.810 3.010 parsed_149d 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
;
TABLE 4
HYDROGEN BONDING DISTANCE RESTRAINTS
INFERRED FROM CHEMICAL SHIFTS OF PROTON RESONANCES
C1-G14
;
1 1 6 15 parsed_149d 1
2 C2-G13 13 1 13 15 parsed_149d 1
3 T3-A12 20 1 20 15 parsed_149d 1
4 A4-T11 25 1 25 15 parsed_149d 1
5 T5-A10 30 1 30 15 parsed_149d 1
6 T6-A9 35 1 35 15 parsed_149d 1
7 C7-G8 40 1 40 15 parsed_149d 1
8 G8-C15 47 1 47 15 parsed_149d 1
9 A9-T16 52 1 52 15 parsed_149d 1
10 A10-T17 57 1 57 16 parsed_149d 1
11 A12-T19 62 1 62 16 parsed_149d 1
12 G13-C20 67 1 67 16 parsed_149d 1
13 G14-C21 72 1 72 16 parsed_149d 1
14 C1-G14 77 1 77 15 parsed_149d 1
15 C2-G13 84 1 84 15 parsed_149d 1
16 T3-A12 91 1 91 15 parsed_149d 1
17 A4-T11 96 1 96 15 parsed_149d 1
18 T5-A10 101 1 101 15 parsed_149d 1
19 T6-A9 106 1 106 15 parsed_149d 1
20 C7-G8 111 1 111 15 parsed_149d 1
21 G8-C15 118 1 118 15 parsed_149d 1
22 A9-T16 123 1 123 15 parsed_149d 1
23 A10-T17 128 1 128 16 parsed_149d 1
24 A12-T19 133 1 133 16 parsed_149d 1
25 G13-C20 138 1 138 16 parsed_149d 1
26 G14-C21 143 1 143 16 parsed_149d 1
stop_
save_
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