NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype | item_count |
|
|
31756 |
1ezp   |
4986 | cing | recoord | 2-parsed | STAR | distance | hydrogen bond | simple | 48 |
data_1ezp_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1ezp
_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_1ezp 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1ezp
_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 1ezp "Master copy" parsed_1ezp
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1ezp
_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 1ezp.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1ezp 1
1 1ezp.mr . . XPLOR/CNS 2 distance NOE simple 25 parsed_1ezp 1
1 1ezp.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 parsed_1ezp 1
1 1ezp.mr . . XPLOR/CNS 4 distance NOE simple 803 parsed_1ezp 1
1 1ezp.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1ezp 1
1 1ezp.mr . . XPLOR/CNS 6 distance NOE simple 753 parsed_1ezp 1
1 1ezp.mr . . n/a 7 comment "Not applicable" "Not applicable" 0 parsed_1ezp 1
1 1ezp.mr . . XPLOR/CNS 8 distance NOE simple 362 parsed_1ezp 1
1 1ezp.mr . . n/a 9 comment "Not applicable" "Not applicable" 0 parsed_1ezp 1
1 1ezp.mr . . XPLOR/CNS 10 "dihedral angle" "Not applicable" "Not applicable" 556 parsed_1ezp 1
1 1ezp.mr . . XPLOR/CNS 11 distance "hydrogen bond" simple 48 parsed_1ezp 1
1 1ezp.mr . . XPLOR/CNS 12 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_1ezp 1
1 1ezp.mr . . "MR format" 13 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1ezp 1
stop_
save_
save_CNS/XPLOR_distance_constraints_11
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1ezp
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 11
_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_1ezp 1
2 1 . . . parsed_1ezp 1
3 1 . . . parsed_1ezp 1
4 1 . . . parsed_1ezp 1
5 1 . . . parsed_1ezp 1
6 1 . . . parsed_1ezp 1
7 1 . . . parsed_1ezp 1
8 1 . . . parsed_1ezp 1
9 1 . . . parsed_1ezp 1
10 1 . . . parsed_1ezp 1
11 1 . . . parsed_1ezp 1
12 1 . . . parsed_1ezp 1
13 1 . . . parsed_1ezp 1
14 1 . . . parsed_1ezp 1
15 1 . . . parsed_1ezp 1
16 1 . . . parsed_1ezp 1
17 1 . . . parsed_1ezp 1
18 1 . . . parsed_1ezp 1
19 1 . . . parsed_1ezp 1
20 1 . . . parsed_1ezp 1
21 1 . . . parsed_1ezp 1
22 1 . . . parsed_1ezp 1
23 1 . . . parsed_1ezp 1
24 1 . . . parsed_1ezp 1
25 1 . . . parsed_1ezp 1
26 1 . . . parsed_1ezp 1
27 1 . . . parsed_1ezp 1
28 1 . . . parsed_1ezp 1
29 1 . . . parsed_1ezp 1
30 1 . . . parsed_1ezp 1
31 1 . . . parsed_1ezp 1
32 1 . . . parsed_1ezp 1
33 1 . . . parsed_1ezp 1
34 1 . . . parsed_1ezp 1
35 1 . . . parsed_1ezp 1
36 1 . . . parsed_1ezp 1
37 1 . . . parsed_1ezp 1
38 1 . . . parsed_1ezp 1
39 1 . . . parsed_1ezp 1
40 1 . . . parsed_1ezp 1
41 1 . . . parsed_1ezp 1
42 1 . . . parsed_1ezp 1
43 1 . . . parsed_1ezp 1
44 1 . . . parsed_1ezp 1
45 1 . . . parsed_1ezp 1
46 1 . . . parsed_1ezp 1
47 1 . . . parsed_1ezp 1
48 1 . . . parsed_1ezp 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 . . . . . . . . . 9 . HN parsed_1ezp 1
1 1 2 . . . . . . . . . 36 . O parsed_1ezp 1
2 1 1 . . . . . . . . . 9 . N parsed_1ezp 1
2 1 2 . . . . . . . . . 36 . C parsed_1ezp 1
3 1 1 . . . . . . . . . 10 . HN parsed_1ezp 1
3 1 2 . . . . . . . . . 59 . O parsed_1ezp 1
4 1 1 . . . . . . . . . 10 . N parsed_1ezp 1
4 1 2 . . . . . . . . . 59 . C parsed_1ezp 1
5 1 1 . . . . . . . . . 11 . HN parsed_1ezp 1
5 1 2 . . . . . . . . . 38 . O parsed_1ezp 1
6 1 1 . . . . . . . . . 11 . N parsed_1ezp 1
6 1 2 . . . . . . . . . 38 . C parsed_1ezp 1
7 1 1 . . . . . . . . . 38 . HN parsed_1ezp 1
7 1 2 . . . . . . . . . 9 . O parsed_1ezp 1
8 1 1 . . . . . . . . . 38 . N parsed_1ezp 1
8 1 2 . . . . . . . . . 9 . C parsed_1ezp 1
9 1 1 . . . . . . . . . 59 . HN parsed_1ezp 1
9 1 2 . . . . . . . . . 8 . O parsed_1ezp 1
10 1 1 . . . . . . . . . 59 . N parsed_1ezp 1
10 1 2 . . . . . . . . . 8 . C parsed_1ezp 1
11 1 1 . . . . . . . . . 61 . HN parsed_1ezp 1
11 1 2 . . . . . . . . . 10 . O parsed_1ezp 1
12 1 1 . . . . . . . . . 61 . N parsed_1ezp 1
12 1 2 . . . . . . . . . 10 . C parsed_1ezp 1
13 1 1 . . . . . . . . . 62 . HN parsed_1ezp 1
13 1 2 . . . . . . . . . 263 . O parsed_1ezp 1
14 1 1 . . . . . . . . . 62 . N parsed_1ezp 1
14 1 2 . . . . . . . . . 263 . C parsed_1ezp 1
15 1 1 . . . . . . . . . 115 . HN parsed_1ezp 1
15 1 2 . . . . . . . . . 245 . O parsed_1ezp 1
16 1 1 . . . . . . . . . 115 . N parsed_1ezp 1
16 1 2 . . . . . . . . . 245 . C parsed_1ezp 1
17 1 1 . . . . . . . . . 116 . HN parsed_1ezp 1
17 1 2 . . . . . . . . . 225 . O parsed_1ezp 1
18 1 1 . . . . . . . . . 116 . N parsed_1ezp 1
18 1 2 . . . . . . . . . 225 . C parsed_1ezp 1
19 1 1 . . . . . . . . . 117 . HN parsed_1ezp 1
19 1 2 . . . . . . . . . 243 . O parsed_1ezp 1
20 1 1 . . . . . . . . . 117 . N parsed_1ezp 1
20 1 2 . . . . . . . . . 243 . C parsed_1ezp 1
21 1 1 . . . . . . . . . 243 . HN parsed_1ezp 1
21 1 2 . . . . . . . . . 117 . O parsed_1ezp 1
22 1 1 . . . . . . . . . 243 . N parsed_1ezp 1
22 1 2 . . . . . . . . . 117 . C parsed_1ezp 1
23 1 1 . . . . . . . . . 245 . HN parsed_1ezp 1
23 1 2 . . . . . . . . . 115 . O parsed_1ezp 1
24 1 1 . . . . . . . . . 245 . N parsed_1ezp 1
24 1 2 . . . . . . . . . 115 . C parsed_1ezp 1
25 1 1 . . . . . . . . . 263 . HN parsed_1ezp 1
25 1 2 . . . . . . . . . 63 . O parsed_1ezp 1
26 1 1 . . . . . . . . . 263 . N parsed_1ezp 1
26 1 2 . . . . . . . . . 63 . C parsed_1ezp 1
27 1 1 . . . . . . . . . 64 . o parsed_1ezp 1
27 1 2 . . . . . . . . . 68 . hn parsed_1ezp 1
28 1 1 . . . . . . . . . 64 . o parsed_1ezp 1
28 1 2 . . . . . . . . . 68 . n parsed_1ezp 1
29 1 1 . . . . . . . . . 67 . o parsed_1ezp 1
29 1 2 . . . . . . . . . 71 . hn parsed_1ezp 1
30 1 1 . . . . . . . . . 67 . o parsed_1ezp 1
30 1 2 . . . . . . . . . 71 . n parsed_1ezp 1
31 1 1 . . . . . . . . . 156 . o parsed_1ezp 1
31 1 2 . . . . . . . . . 160 . hn parsed_1ezp 1
32 1 1 . . . . . . . . . 156 . o parsed_1ezp 1
32 1 2 . . . . . . . . . 160 . n parsed_1ezp 1
33 1 1 . . . . . . . . . 157 . o parsed_1ezp 1
33 1 2 . . . . . . . . . 161 . hn parsed_1ezp 1
34 1 1 . . . . . . . . . 157 . o parsed_1ezp 1
34 1 2 . . . . . . . . . 161 . n parsed_1ezp 1
35 1 1 . . . . . . . . . 188 . o parsed_1ezp 1
35 1 2 . . . . . . . . . 192 . hn parsed_1ezp 1
36 1 1 . . . . . . . . . 188 . o parsed_1ezp 1
36 1 2 . . . . . . . . . 192 . n parsed_1ezp 1
37 1 1 . . . . . . . . . 189 . o parsed_1ezp 1
37 1 2 . . . . . . . . . 193 . hn parsed_1ezp 1
38 1 1 . . . . . . . . . 189 . o parsed_1ezp 1
38 1 2 . . . . . . . . . 193 . n parsed_1ezp 1
39 1 1 . . . . . . . . . 190 . o parsed_1ezp 1
39 1 2 . . . . . . . . . 194 . hn parsed_1ezp 1
40 1 1 . . . . . . . . . 190 . o parsed_1ezp 1
40 1 2 . . . . . . . . . 194 . n parsed_1ezp 1
41 1 1 . . . . . . . . . 194 . o parsed_1ezp 1
41 1 2 . . . . . . . . . 198 . hn parsed_1ezp 1
42 1 1 . . . . . . . . . 194 . o parsed_1ezp 1
42 1 2 . . . . . . . . . 198 . n parsed_1ezp 1
43 1 1 . . . . . . . . . 272 . o parsed_1ezp 1
43 1 2 . . . . . . . . . 276 . hn parsed_1ezp 1
44 1 1 . . . . . . . . . 272 . o parsed_1ezp 1
44 1 2 . . . . . . . . . 276 . n parsed_1ezp 1
45 1 1 . . . . . . . . . 275 . o parsed_1ezp 1
45 1 2 . . . . . . . . . 279 . hn parsed_1ezp 1
46 1 1 . . . . . . . . . 275 . o parsed_1ezp 1
46 1 2 . . . . . . . . . 279 . n parsed_1ezp 1
47 1 1 . . . . . . . . . 339 . o parsed_1ezp 1
47 1 2 . . . . . . . . . 343 . hn parsed_1ezp 1
48 1 1 . . . . . . . . . 339 . o parsed_1ezp 1
48 1 2 . . . . . . . . . 343 . n parsed_1ezp 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 1.60 2.40 parsed_1ezp 1
2 1 . . . . . 4.00 3.60 4.40 parsed_1ezp 1
3 1 . . . . . 2.00 1.60 2.40 parsed_1ezp 1
4 1 . . . . . 4.00 3.60 4.40 parsed_1ezp 1
5 1 . . . . . 2.00 1.60 2.40 parsed_1ezp 1
6 1 . . . . . 4.00 3.60 4.40 parsed_1ezp 1
7 1 . . . . . 2.00 1.60 2.40 parsed_1ezp 1
8 1 . . . . . 4.00 3.60 4.40 parsed_1ezp 1
9 1 . . . . . 2.00 1.60 2.40 parsed_1ezp 1
10 1 . . . . . 4.00 3.60 4.40 parsed_1ezp 1
11 1 . . . . . 2.00 1.60 2.40 parsed_1ezp 1
12 1 . . . . . 4.00 3.60 4.40 parsed_1ezp 1
13 1 . . . . . 2.00 1.60 2.40 parsed_1ezp 1
14 1 . . . . . 4.00 3.60 4.40 parsed_1ezp 1
15 1 . . . . . 2.00 1.60 2.40 parsed_1ezp 1
16 1 . . . . . 4.00 3.60 4.40 parsed_1ezp 1
17 1 . . . . . 2.00 1.60 2.40 parsed_1ezp 1
18 1 . . . . . 4.00 3.60 4.40 parsed_1ezp 1
19 1 . . . . . 2.00 1.60 2.40 parsed_1ezp 1
20 1 . . . . . 4.00 3.60 4.40 parsed_1ezp 1
21 1 . . . . . 2.00 1.60 2.40 parsed_1ezp 1
22 1 . . . . . 4.00 3.60 4.40 parsed_1ezp 1
23 1 . . . . . 2.00 1.60 2.40 parsed_1ezp 1
24 1 . . . . . 4.00 3.60 4.40 parsed_1ezp 1
25 1 . . . . . 2.00 1.60 2.40 parsed_1ezp 1
26 1 . . . . . 4.00 3.60 4.40 parsed_1ezp 1
27 1 . . . . . 2.0 1.3 2.5 parsed_1ezp 1
28 1 . . . . . 3.0 2.3 3.5 parsed_1ezp 1
29 1 . . . . . 2.0 1.3 2.5 parsed_1ezp 1
30 1 . . . . . 3.0 2.3 3.5 parsed_1ezp 1
31 1 . . . . . 2.0 1.3 2.5 parsed_1ezp 1
32 1 . . . . . 3.0 2.3 3.5 parsed_1ezp 1
33 1 . . . . . 2.0 1.3 2.5 parsed_1ezp 1
34 1 . . . . . 3.0 2.3 3.5 parsed_1ezp 1
35 1 . . . . . 2.0 1.3 2.5 parsed_1ezp 1
36 1 . . . . . 3.0 2.3 3.5 parsed_1ezp 1
37 1 . . . . . 2.0 1.3 2.5 parsed_1ezp 1
38 1 . . . . . 3.0 2.3 3.5 parsed_1ezp 1
39 1 . . . . . 2.0 1.3 2.5 parsed_1ezp 1
40 1 . . . . . 3.0 2.3 3.5 parsed_1ezp 1
41 1 . . . . . 2.0 1.3 2.5 parsed_1ezp 1
42 1 . . . . . 3.0 2.3 3.5 parsed_1ezp 1
43 1 . . . . . 2.0 1.3 2.5 parsed_1ezp 1
44 1 . . . . . 3.0 2.3 3.5 parsed_1ezp 1
45 1 . . . . . 2.0 1.3 2.5 parsed_1ezp 1
46 1 . . . . . 3.0 2.3 3.5 parsed_1ezp 1
47 1 . . . . . 2.0 1.3 2.5 parsed_1ezp 1
48 1 . . . . . 3.0 2.3 3.5 parsed_1ezp 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
;
Generated by GM 03/12/99 from KG protection data
Looked for noes and beta strands by csi to find hbond partners
Residues commented out are possible pending later structures
;
1 1 3 63 parsed_1ezp 1
2
;
assign (resid 106 and name HN )(resid 264 and name O ) 2.00 0.4 0.4
assign (resid 106 and name N )(resid 264 and name C ) 4.00 0.4 0.4
assign (resid 114 and name HN )(resid 227 and name O ) 2.00 0.4 0.4
assign (resid 114 and name N )(resid 227 and name C ) 4.00 0.4 0.4
;
19 1 22 70 parsed_1ezp 1
3
;
assign (resid 225 and name HN )(resid 116 and name O ) 2.00 0.4 0.4
assign (resid 225 and name N )(resid 116 and name C ) 4.00 0.4 0.4
;
29 1 30 70 parsed_1ezp 1
4
;
assign (resid 264 and name HN )(resid 106 and name O ) 2.00 0.4 0.4
assign (resid 264 and name N )(resid 106 and name C ) 4.00 0.4 0.4
Generated by GM 03/12/99 from KG's protected residue data
Looked at noes and csi prediction
;
37 1 40 36 parsed_1ezp 1
5
;
Not confident in 158 at end of a helix?
assign (resid 154 and name o)
(resid 158 and name hn) 2.0 0.7 0.5
assign (resid 154 and name o)
(resid 158 and name n) 3.0 0.7 0.5
;
50 1 54 43 parsed_1ezp 1
6
;
273 could be in a turn
assign (resid 269 and name o)
(resid 273 and name hn) 2.0 0.7 0.5
assign (resid 269 and name o)
(resid 273 and name n) 3.0 0.7 0.5
;
79 1 83 43 parsed_1ezp 1
stop_
save_
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