NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
30267 |
1c7w   |
cing | 2-parsed | STAR | distance | hydrogen bond | simple | 64 |
data_1c7w_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1c7w
_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_1c7w 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1c7w
_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 1c7w "Master copy" parsed_1c7w
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1c7w
_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 1c7w.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1c7w 1
1 1c7w.mr . . DISCOVER 2 stereochemistry prochirality "Not applicable" 0 parsed_1c7w 1
1 1c7w.mr . . DISCOVER 3 stereochemistry chirality "Not applicable" 0 parsed_1c7w 1
1 1c7w.mr . . DISCOVER 4 distance "hydrogen bond" simple 64 parsed_1c7w 1
1 1c7w.mr . . DISCOVER 5 distance NOE simple 0 parsed_1c7w 1
1 1c7w.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1c7w 1
1 1c7w.mr . . DISCOVER 7 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1c7w 1
1 1c7w.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1c7w 1
stop_
save_
save_Discover_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1c7w
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 4
_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_1c7w 1
2 1 . . . parsed_1c7w 1
3 1 . . . parsed_1c7w 1
4 1 . . . parsed_1c7w 1
5 1 . . . parsed_1c7w 1
6 1 . . . parsed_1c7w 1
7 1 . . . parsed_1c7w 1
8 1 . . . parsed_1c7w 1
9 1 . . . parsed_1c7w 1
10 1 . . . parsed_1c7w 1
11 1 . . . parsed_1c7w 1
12 1 . . . parsed_1c7w 1
13 1 . . . parsed_1c7w 1
14 1 . . . parsed_1c7w 1
15 1 . . . parsed_1c7w 1
16 1 . . . parsed_1c7w 1
17 1 . . . parsed_1c7w 1
18 1 . . . parsed_1c7w 1
19 1 . . . parsed_1c7w 1
20 1 . . . parsed_1c7w 1
21 1 . . . parsed_1c7w 1
22 1 . . . parsed_1c7w 1
23 1 . . . parsed_1c7w 1
24 1 . . . parsed_1c7w 1
25 1 . . . parsed_1c7w 1
26 1 . . . parsed_1c7w 1
27 1 . . . parsed_1c7w 1
28 1 . . . parsed_1c7w 1
29 1 . . . parsed_1c7w 1
30 1 . . . parsed_1c7w 1
31 1 . . . parsed_1c7w 1
32 1 . . . parsed_1c7w 1
33 1 . . . parsed_1c7w 1
34 1 . . . parsed_1c7w 1
35 1 . . . parsed_1c7w 1
36 1 . . . parsed_1c7w 1
37 1 . . . parsed_1c7w 1
38 1 . . . parsed_1c7w 1
39 1 . . . parsed_1c7w 1
40 1 . . . parsed_1c7w 1
41 1 . . . parsed_1c7w 1
42 1 . . . parsed_1c7w 1
43 1 . . . parsed_1c7w 1
44 1 . . . parsed_1c7w 1
45 1 . . . parsed_1c7w 1
46 1 . . . parsed_1c7w 1
47 1 . . . parsed_1c7w 1
48 1 . . . parsed_1c7w 1
49 1 . . . parsed_1c7w 1
50 1 . . . parsed_1c7w 1
51 1 . . . parsed_1c7w 1
52 1 . . . parsed_1c7w 1
53 1 . . . parsed_1c7w 1
54 1 . . . parsed_1c7w 1
55 1 . . . parsed_1c7w 1
56 1 . . . parsed_1c7w 1
57 1 . . . parsed_1c7w 1
58 1 . . . parsed_1c7w 1
59 1 . . . parsed_1c7w 1
60 1 . . . parsed_1c7w 1
61 1 . . . parsed_1c7w 1
62 1 . . . parsed_1c7w 1
63 1 . . . parsed_1c7w 1
64 1 . . . parsed_1c7w 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 . . . . . . . . 1 105 ILE O parsed_1c7w 1
1 1 2 . . . . . . . . 1 142 ILE HN parsed_1c7w 1
2 1 1 . . . . . . . . 1 105 ILE O parsed_1c7w 1
2 1 2 . . . . . . . . 1 142 ILE N parsed_1c7w 1
3 1 1 . . . . . . . . 1 142 ILE O parsed_1c7w 1
3 1 2 . . . . . . . . 1 105 ILE HN parsed_1c7w 1
4 1 1 . . . . . . . . 1 142 ILE O parsed_1c7w 1
4 1 2 . . . . . . . . 1 105 ILE N parsed_1c7w 1
5 1 1 . . . . . . . . 1 98 ASP- OD* parsed_1c7w 1
5 1 2 . . . . . . . . 1 103 GLY HN parsed_1c7w 1
6 1 1 . . . . . . . . 1 98 ASP- OD* parsed_1c7w 1
6 1 2 . . . . . . . . 1 103 GLY N parsed_1c7w 1
7 1 1 . . . . . . . . 1 135 ASP- OD* parsed_1c7w 1
7 1 2 . . . . . . . . 1 140 GLY HN parsed_1c7w 1
8 1 1 . . . . . . . . 1 135 ASP- OD* parsed_1c7w 1
8 1 2 . . . . . . . . 1 140 GLY N parsed_1c7w 1
9 1 1 . . . . . . . . 1 87 GLU- O parsed_1c7w 1
9 1 2 . . . . . . . . 1 91 LEU HN parsed_1c7w 1
10 1 1 . . . . . . . . 1 87 GLU- O parsed_1c7w 1
10 1 2 . . . . . . . . 1 91 LEU N parsed_1c7w 1
11 1 1 . . . . . . . . 1 88 GLU- O parsed_1c7w 1
11 1 2 . . . . . . . . 1 92 ARG+ HN parsed_1c7w 1
12 1 1 . . . . . . . . 1 88 GLU- O parsed_1c7w 1
12 1 2 . . . . . . . . 1 92 ARG+ N parsed_1c7w 1
13 1 1 . . . . . . . . 1 89 GLU- O parsed_1c7w 1
13 1 2 . . . . . . . . 1 93 ALA HN parsed_1c7w 1
14 1 1 . . . . . . . . 1 89 GLU- O parsed_1c7w 1
14 1 2 . . . . . . . . 1 93 ALA N parsed_1c7w 1
15 1 1 . . . . . . . . 1 90 ILE O parsed_1c7w 1
15 1 2 . . . . . . . . 1 94 PHE HN parsed_1c7w 1
16 1 1 . . . . . . . . 1 90 ILE O parsed_1c7w 1
16 1 2 . . . . . . . . 1 94 PHE N parsed_1c7w 1
17 1 1 . . . . . . . . 1 91 LEU O parsed_1c7w 1
17 1 2 . . . . . . . . 1 95 LYS+ HN parsed_1c7w 1
18 1 1 . . . . . . . . 1 91 LEU O parsed_1c7w 1
18 1 2 . . . . . . . . 1 95 LYS+ N parsed_1c7w 1
19 1 1 . . . . . . . . 1 92 ARG+ O parsed_1c7w 1
19 1 2 . . . . . . . . 1 96 VAL N parsed_1c7w 1
20 1 1 . . . . . . . . 1 92 ARG+ O parsed_1c7w 1
20 1 2 . . . . . . . . 1 96 VAL HN parsed_1c7w 1
21 1 1 . . . . . . . . 1 93 ALA O parsed_1c7w 1
21 1 2 . . . . . . . . 1 97 PHE HN parsed_1c7w 1
22 1 1 . . . . . . . . 1 93 ALA O parsed_1c7w 1
22 1 2 . . . . . . . . 1 97 PHE N parsed_1c7w 1
23 1 1 . . . . . . . . 1 107 PHE O parsed_1c7w 1
23 1 2 . . . . . . . . 1 111 LYS+ HN parsed_1c7w 1
24 1 1 . . . . . . . . 1 107 PHE O parsed_1c7w 1
24 1 2 . . . . . . . . 1 111 LYS+ N parsed_1c7w 1
25 1 1 . . . . . . . . 1 108 ASP- O parsed_1c7w 1
25 1 2 . . . . . . . . 1 112 PHE HN parsed_1c7w 1
26 1 1 . . . . . . . . 1 108 ASP- O parsed_1c7w 1
26 1 2 . . . . . . . . 1 112 PHE N parsed_1c7w 1
27 1 1 . . . . . . . . 1 109 GLU- O parsed_1c7w 1
27 1 2 . . . . . . . . 1 113 ILE N parsed_1c7w 1
28 1 1 . . . . . . . . 1 109 GLU- O parsed_1c7w 1
28 1 2 . . . . . . . . 1 113 ILE HN parsed_1c7w 1
29 1 1 . . . . . . . . 1 110 PHE O parsed_1c7w 1
29 1 2 . . . . . . . . 1 114 MET HN parsed_1c7w 1
30 1 1 . . . . . . . . 1 110 PHE O parsed_1c7w 1
30 1 2 . . . . . . . . 1 114 MET N parsed_1c7w 1
31 1 1 . . . . . . . . 1 124 ASP- O parsed_1c7w 1
31 1 2 . . . . . . . . 1 128 GLU- HN parsed_1c7w 1
32 1 1 . . . . . . . . 1 124 ASP- O parsed_1c7w 1
32 1 2 . . . . . . . . 1 128 GLU- N parsed_1c7w 1
33 1 1 . . . . . . . . 1 125 ALA O parsed_1c7w 1
33 1 2 . . . . . . . . 1 129 GLU- HN parsed_1c7w 1
34 1 1 . . . . . . . . 1 125 ALA O parsed_1c7w 1
34 1 2 . . . . . . . . 1 129 GLU- N parsed_1c7w 1
35 1 1 . . . . . . . . 1 126 GLU- O parsed_1c7w 1
35 1 2 . . . . . . . . 1 130 ALA HN parsed_1c7w 1
36 1 1 . . . . . . . . 1 126 GLU- O parsed_1c7w 1
36 1 2 . . . . . . . . 1 130 ALA N parsed_1c7w 1
37 1 1 . . . . . . . . 1 127 VAL O parsed_1c7w 1
37 1 2 . . . . . . . . 1 131 MET HN parsed_1c7w 1
38 1 1 . . . . . . . . 1 127 VAL O parsed_1c7w 1
38 1 2 . . . . . . . . 1 131 MET N parsed_1c7w 1
39 1 1 . . . . . . . . 1 128 GLU- O parsed_1c7w 1
39 1 2 . . . . . . . . 1 132 LYS+ HN parsed_1c7w 1
40 1 1 . . . . . . . . 1 128 GLU- O parsed_1c7w 1
40 1 2 . . . . . . . . 1 132 LYS+ N parsed_1c7w 1
41 1 1 . . . . . . . . 1 129 GLU- O parsed_1c7w 1
41 1 2 . . . . . . . . 1 133 GLU- HN parsed_1c7w 1
42 1 1 . . . . . . . . 1 129 GLU- O parsed_1c7w 1
42 1 2 . . . . . . . . 1 133 GLU- N parsed_1c7w 1
43 1 1 . . . . . . . . 1 130 ALA O parsed_1c7w 1
43 1 2 . . . . . . . . 1 134 ALA HN parsed_1c7w 1
44 1 1 . . . . . . . . 1 130 ALA O parsed_1c7w 1
44 1 2 . . . . . . . . 1 134 ALA N parsed_1c7w 1
45 1 1 . . . . . . . . 1 146 GLU- O parsed_1c7w 1
45 1 2 . . . . . . . . 1 150 LEU HN parsed_1c7w 1
46 1 1 . . . . . . . . 1 146 GLU- O parsed_1c7w 1
46 1 2 . . . . . . . . 1 150 LEU N parsed_1c7w 1
47 1 1 . . . . . . . . 1 147 PHE O parsed_1c7w 1
47 1 2 . . . . . . . . 1 151 ILE HN parsed_1c7w 1
48 1 1 . . . . . . . . 1 147 PHE O parsed_1c7w 1
48 1 2 . . . . . . . . 1 151 ILE N parsed_1c7w 1
49 1 1 . . . . . . . . 1 148 MET O parsed_1c7w 1
49 1 2 . . . . . . . . 1 152 LYS+ HN parsed_1c7w 1
50 1 1 . . . . . . . . 1 148 MET O parsed_1c7w 1
50 1 2 . . . . . . . . 1 152 LYS+ N parsed_1c7w 1
51 1 1 . . . . . . . . 1 149 ASP- O parsed_1c7w 1
51 1 2 . . . . . . . . 1 153 LYS+ N parsed_1c7w 1
52 1 1 . . . . . . . . 1 149 ASP- O parsed_1c7w 1
52 1 2 . . . . . . . . 1 153 LYS+ HN parsed_1c7w 1
53 1 1 . . . . . . . . 1 100 ASN OD1 parsed_1c7w 1
53 1 2 . . . . . . . . 1 102 ASP- HN parsed_1c7w 1
54 1 1 . . . . . . . . 1 100 ASN OD1 parsed_1c7w 1
54 1 2 . . . . . . . . 1 102 ASP- N parsed_1c7w 1
55 1 1 . . . . . . . . 1 102 ASP- OD1 parsed_1c7w 1
55 1 2 . . . . . . . . 1 104 VAL HN parsed_1c7w 1
56 1 1 . . . . . . . . 1 102 ASP- OD1 parsed_1c7w 1
56 1 2 . . . . . . . . 1 104 VAL N parsed_1c7w 1
57 1 1 . . . . . . . . 1 135 ASP- OD* parsed_1c7w 1
57 1 2 . . . . . . . . 1 137 ASP- HN parsed_1c7w 1
58 1 1 . . . . . . . . 1 135 ASP- OD* parsed_1c7w 1
58 1 2 . . . . . . . . 1 137 ASP- N parsed_1c7w 1
59 1 1 . . . . . . . . 1 137 ASP- OD1 parsed_1c7w 1
59 1 2 . . . . . . . . 1 139 ASN HN parsed_1c7w 1
60 1 1 . . . . . . . . 1 137 ASP- OD1 parsed_1c7w 1
60 1 2 . . . . . . . . 1 139 ASN N parsed_1c7w 1
61 1 1 . . . . . . . . 1 139 ASN OD1 parsed_1c7w 1
61 1 2 . . . . . . . . 1 141 VAL HN parsed_1c7w 1
62 1 1 . . . . . . . . 1 139 ASN OD1 parsed_1c7w 1
62 1 2 . . . . . . . . 1 141 VAL N parsed_1c7w 1
63 1 1 . . . . . . . . 1 143 ASP- OD1 parsed_1c7w 1
63 1 2 . . . . . . . . 1 146 GLU- HN parsed_1c7w 1
64 1 1 . . . . . . . . 1 143 ASP- OD1 parsed_1c7w 1
64 1 2 . . . . . . . . 1 146 GLU- N parsed_1c7w 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 . . . . . . 1.800 2.000 parsed_1c7w 1
2 1 . . . . . . 2.700 3.000 parsed_1c7w 1
3 1 . . . . . . 1.800 2.000 parsed_1c7w 1
4 1 . . . . . . 2.700 3.000 parsed_1c7w 1
5 1 . . . . . . 1.800 2.300 parsed_1c7w 1
6 1 . . . . . . 2.800 3.300 parsed_1c7w 1
7 1 . . . . . . 1.800 2.300 parsed_1c7w 1
8 1 . . . . . . 2.800 3.300 parsed_1c7w 1
9 1 . . . . . . 1.800 2.000 parsed_1c7w 1
10 1 . . . . . . 2.700 3.000 parsed_1c7w 1
11 1 . . . . . . 1.800 2.000 parsed_1c7w 1
12 1 . . . . . . 2.700 3.000 parsed_1c7w 1
13 1 . . . . . . 1.800 2.000 parsed_1c7w 1
14 1 . . . . . . 2.700 3.000 parsed_1c7w 1
15 1 . . . . . . 1.800 2.000 parsed_1c7w 1
16 1 . . . . . . 2.700 3.000 parsed_1c7w 1
17 1 . . . . . . 1.800 2.000 parsed_1c7w 1
18 1 . . . . . . 2.700 3.000 parsed_1c7w 1
19 1 . . . . . . 2.700 3.000 parsed_1c7w 1
20 1 . . . . . . 1.800 2.000 parsed_1c7w 1
21 1 . . . . . . 1.800 2.000 parsed_1c7w 1
22 1 . . . . . . 2.700 3.000 parsed_1c7w 1
23 1 . . . . . . 1.800 2.000 parsed_1c7w 1
24 1 . . . . . . 2.700 3.000 parsed_1c7w 1
25 1 . . . . . . 1.800 2.000 parsed_1c7w 1
26 1 . . . . . . 2.700 3.000 parsed_1c7w 1
27 1 . . . . . . 2.700 3.000 parsed_1c7w 1
28 1 . . . . . . 1.800 2.000 parsed_1c7w 1
29 1 . . . . . . 1.800 2.000 parsed_1c7w 1
30 1 . . . . . . 2.700 3.000 parsed_1c7w 1
31 1 . . . . . . 1.800 2.000 parsed_1c7w 1
32 1 . . . . . . 2.700 3.000 parsed_1c7w 1
33 1 . . . . . . 1.800 2.000 parsed_1c7w 1
34 1 . . . . . . 2.700 3.000 parsed_1c7w 1
35 1 . . . . . . 1.800 2.000 parsed_1c7w 1
36 1 . . . . . . 2.700 3.000 parsed_1c7w 1
37 1 . . . . . . 1.800 2.000 parsed_1c7w 1
38 1 . . . . . . 2.700 3.000 parsed_1c7w 1
39 1 . . . . . . 1.800 2.000 parsed_1c7w 1
40 1 . . . . . . 2.700 3.000 parsed_1c7w 1
41 1 . . . . . . 1.800 2.000 parsed_1c7w 1
42 1 . . . . . . 2.700 3.000 parsed_1c7w 1
43 1 . . . . . . 1.800 2.000 parsed_1c7w 1
44 1 . . . . . . 2.700 3.000 parsed_1c7w 1
45 1 . . . . . . 1.800 2.000 parsed_1c7w 1
46 1 . . . . . . 2.700 3.000 parsed_1c7w 1
47 1 . . . . . . 1.800 2.000 parsed_1c7w 1
48 1 . . . . . . 2.700 3.000 parsed_1c7w 1
49 1 . . . . . . 1.800 2.000 parsed_1c7w 1
50 1 . . . . . . 2.700 3.000 parsed_1c7w 1
51 1 . . . . . . 2.700 3.000 parsed_1c7w 1
52 1 . . . . . . 1.800 2.000 parsed_1c7w 1
53 1 . . . . . . 1.800 2.500 parsed_1c7w 1
54 1 . . . . . . 2.700 3.500 parsed_1c7w 1
55 1 . . . . . . 1.800 2.500 parsed_1c7w 1
56 1 . . . . . . 2.700 3.500 parsed_1c7w 1
57 1 . . . . . . 1.800 2.500 parsed_1c7w 1
58 1 . . . . . . 2.700 3.500 parsed_1c7w 1
59 1 . . . . . . 1.800 2.500 parsed_1c7w 1
60 1 . . . . . . 2.700 3.500 parsed_1c7w 1
61 1 . . . . . . 1.800 2.500 parsed_1c7w 1
62 1 . . . . . . 2.700 3.500 parsed_1c7w 1
63 1 . . . . . . 1.800 2.500 parsed_1c7w 1
64 1 . . . . . . 2.700 3.500 parsed_1c7w 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 distance 1 1 1 9 parsed_1c7w 1
2
;
1:PHE_94:O 1:ASP-_98:N 2.700 3.000 1.00 1.00 1000.000
1:PHE_94:O 1:ASP-_98:HN 1.800 2.000 1.00 1.00 1000.000
;
24 1 25 73 parsed_1c7w 1
3 "Ca2+ loop Asx turn distance restraints from H bonds (H/D exchange)" 56 1 56 67 parsed_1c7w 1
stop_
save_
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