Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
39305 | 1sxe RC | 5399 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 28 |
data_1sxe_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1sxe
_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_1sxe 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1sxe
_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 1sxe "Master copy" parsed_1sxe
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1sxe
_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 1sxe.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1sxe 1
1 1sxe.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 8 parsed_1sxe 1
1 1sxe.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 105 parsed_1sxe 1
1 1sxe.mr . . XPLOR/CNS 4 peak "Not applicable" "Not applicable" 0 parsed_1sxe 1
1 1sxe.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 28 parsed_1sxe 1
1 1sxe.mr . . XPLOR/CNS 6 distance NOE simple 0 parsed_1sxe 1
1 1sxe.mr . . XPLOR/CNS 7 peak "Not applicable" "Not applicable" 0 parsed_1sxe 1
1 1sxe.mr . . XPLOR/CNS 8 peak "Not applicable" "Not applicable" 0 parsed_1sxe 1
1 1sxe.mr . . "MR format" 9 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1sxe 1
stop_
save_
save_CNS/XPLOR_distance_constraints_5
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1sxe
_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_1sxe 1
2 1 . . . parsed_1sxe 1
3 1 . . . parsed_1sxe 1
4 1 . . . parsed_1sxe 1
5 1 . . . parsed_1sxe 1
6 1 . . . parsed_1sxe 1
7 1 . . . parsed_1sxe 1
8 1 . . . parsed_1sxe 1
9 1 . . . parsed_1sxe 1
10 1 . . . parsed_1sxe 1
11 1 . . . parsed_1sxe 1
12 1 . . . parsed_1sxe 1
13 1 . . . parsed_1sxe 1
14 1 . . . parsed_1sxe 1
15 1 . . . parsed_1sxe 1
16 1 . . . parsed_1sxe 1
17 1 . . . parsed_1sxe 1
18 1 . . . parsed_1sxe 1
19 1 . . . parsed_1sxe 1
20 1 . . . parsed_1sxe 1
21 1 . . . parsed_1sxe 1
22 1 . . . parsed_1sxe 1
23 1 . . . parsed_1sxe 1
24 1 . . . parsed_1sxe 1
25 1 . . . parsed_1sxe 1
26 1 . . . parsed_1sxe 1
27 1 . . . parsed_1sxe 1
28 1 . . . parsed_1sxe 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 . . . . . . . . . 31 . O parsed_1sxe 1
1 1 2 . . . . . . . . . 35 . HN parsed_1sxe 1
2 1 1 . . . . . . . . . 31 . O parsed_1sxe 1
2 1 2 . . . . . . . . . 35 . N parsed_1sxe 1
3 1 1 . . . . . . . . . 32 . O parsed_1sxe 1
3 1 2 . . . . . . . . . 36 . HN parsed_1sxe 1
4 1 1 . . . . . . . . . 32 . O parsed_1sxe 1
4 1 2 . . . . . . . . . 36 . N parsed_1sxe 1
5 1 1 . . . . . . . . . 33 . O parsed_1sxe 1
5 1 2 . . . . . . . . . 37 . HN parsed_1sxe 1
6 1 1 . . . . . . . . . 33 . O parsed_1sxe 1
6 1 2 . . . . . . . . . 37 . N parsed_1sxe 1
7 1 1 . . . . . . . . . 40 . O parsed_1sxe 1
7 1 2 . . . . . . . . . 44 . HN parsed_1sxe 1
8 1 1 . . . . . . . . . 40 . O parsed_1sxe 1
8 1 2 . . . . . . . . . 44 . N parsed_1sxe 1
9 1 1 . . . . . . . . . 41 . O parsed_1sxe 1
9 1 2 . . . . . . . . . 45 . HN parsed_1sxe 1
10 1 1 . . . . . . . . . 41 . O parsed_1sxe 1
10 1 2 . . . . . . . . . 45 . N parsed_1sxe 1
11 1 1 . . . . . . . . . 42 . O parsed_1sxe 1
11 1 2 . . . . . . . . . 46 . HN parsed_1sxe 1
12 1 1 . . . . . . . . . 42 . O parsed_1sxe 1
12 1 2 . . . . . . . . . 46 . N parsed_1sxe 1
13 1 1 . . . . . . . . . 68 . O parsed_1sxe 1
13 1 2 . . . . . . . . . 72 . HN parsed_1sxe 1
14 1 1 . . . . . . . . . 68 . O parsed_1sxe 1
14 1 2 . . . . . . . . . 72 . N parsed_1sxe 1
15 1 1 . . . . . . . . . 34 . O parsed_1sxe 1
15 1 2 . . . . . . . . . 38 . HN parsed_1sxe 1
16 1 1 . . . . . . . . . 34 . O parsed_1sxe 1
16 1 2 . . . . . . . . . 38 . N parsed_1sxe 1
17 1 1 . . . . . . . . . 35 . O parsed_1sxe 1
17 1 2 . . . . . . . . . 39 . HN parsed_1sxe 1
18 1 1 . . . . . . . . . 35 . O parsed_1sxe 1
18 1 2 . . . . . . . . . 39 . N parsed_1sxe 1
19 1 1 . . . . . . . . . 36 . O parsed_1sxe 1
19 1 2 . . . . . . . . . 40 . HN parsed_1sxe 1
20 1 1 . . . . . . . . . 36 . O parsed_1sxe 1
20 1 2 . . . . . . . . . 40 . N parsed_1sxe 1
21 1 1 . . . . . . . . . 37 . O parsed_1sxe 1
21 1 2 . . . . . . . . . 41 . HN parsed_1sxe 1
22 1 1 . . . . . . . . . 37 . O parsed_1sxe 1
22 1 2 . . . . . . . . . 41 . N parsed_1sxe 1
23 1 1 . . . . . . . . . 38 . O parsed_1sxe 1
23 1 2 . . . . . . . . . 42 . HN parsed_1sxe 1
24 1 1 . . . . . . . . . 38 . O parsed_1sxe 1
24 1 2 . . . . . . . . . 42 . N parsed_1sxe 1
25 1 1 . . . . . . . . . 39 . O parsed_1sxe 1
25 1 2 . . . . . . . . . 43 . HN parsed_1sxe 1
26 1 1 . . . . . . . . . 39 . O parsed_1sxe 1
26 1 2 . . . . . . . . . 43 . N parsed_1sxe 1
27 1 1 . . . . . . . . . 81 . O parsed_1sxe 1
27 1 2 . . . . . . . . . 85 . HN parsed_1sxe 1
28 1 1 . . . . . . . . . 81 . O parsed_1sxe 1
28 1 2 . . . . . . . . . 85 . N parsed_1sxe 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 . . . . . 1.8 1.5 2.5 parsed_1sxe 1
2 1 . . . . . 2.8 2.5 3.5 parsed_1sxe 1
3 1 . . . . . 1.8 1.5 2.5 parsed_1sxe 1
4 1 . . . . . 2.8 2.5 3.5 parsed_1sxe 1
5 1 . . . . . 1.8 1.5 2.5 parsed_1sxe 1
6 1 . . . . . 2.8 2.5 3.5 parsed_1sxe 1
7 1 . . . . . 1.8 1.5 2.5 parsed_1sxe 1
8 1 . . . . . 2.8 2.5 3.5 parsed_1sxe 1
9 1 . . . . . 1.8 1.5 2.5 parsed_1sxe 1
10 1 . . . . . 2.8 2.5 3.5 parsed_1sxe 1
11 1 . . . . . 1.8 1.5 2.5 parsed_1sxe 1
12 1 . . . . . 2.8 2.5 3.5 parsed_1sxe 1
13 1 . . . . . 1.8 1.5 2.5 parsed_1sxe 1
14 1 . . . . . 2.8 2.5 3.5 parsed_1sxe 1
15 1 . . . . . 1.8 1.5 2.5 parsed_1sxe 1
16 1 . . . . . 2.8 2.5 3.5 parsed_1sxe 1
17 1 . . . . . 1.8 1.5 2.5 parsed_1sxe 1
18 1 . . . . . 2.8 2.5 3.5 parsed_1sxe 1
19 1 . . . . . 1.8 1.5 2.5 parsed_1sxe 1
20 1 . . . . . 2.8 2.5 3.5 parsed_1sxe 1
21 1 . . . . . 1.8 1.5 2.5 parsed_1sxe 1
22 1 . . . . . 2.8 2.5 3.5 parsed_1sxe 1
23 1 . . . . . 1.8 1.5 2.5 parsed_1sxe 1
24 1 . . . . . 2.8 2.5 3.5 parsed_1sxe 1
25 1 . . . . . 1.8 1.5 2.5 parsed_1sxe 1
26 1 . . . . . 2.8 2.5 3.5 parsed_1sxe 1
27 1 . . . . . 1.8 1.5 2.5 parsed_1sxe 1
28 1 . . . . . 2.8 2.5 3.5 parsed_1sxe 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
;
All these residues have HN-HN noe and their amide proton
slowly exchanges in D2O -- the following remain after 30min.
;
1 1 3 2 parsed_1sxe 1
2 "these remain through to 2h" 18 1 18 28 parsed_1sxe 1
3
;
unknown partners
assign ( resid 42 and name O ) ( resid 48 and name HN ) 1.8 0.3 0.7
assign ( resid 42 and name O ) ( resid 48 and name N ) 2.8 0.3 0.7
;
31 1 33 68 parsed_1sxe 1
4
;
3_10 helix? hbonds
assign ( resid 52 and name O ) ( resid 55 and name HN ) 1.8 0.3 0.7
assign ( resid 52 and name O ) ( resid 55 and name N ) 2.8 0.3 0.7
assign ( resid 53 and name O ) ( resid 57 and name HN ) 1.8 0.3 0.7
assign ( resid 53 and name O ) ( resid 57 and name N ) 2.8 0.3 0.7
assign ( resid 54 and name O ) ( resid 58 and name HN ) 1.8 0.3 0.7
assign ( resid 54 and name O ) ( resid 58 and name N ) 2.8 0.3 0.7
assign ( resid 54 and name O ) ( resid 57 and name HN ) 1.8 0.3 0.7
assign ( resid 54 and name O ) ( resid 57 and name N ) 2.8 0.3 0.7
assign ( resid 55 and name O ) ( resid 58 and name HN ) 1.8 0.3 0.7
assign ( resid 55 and name O ) ( resid 58 and name N ) 2.8 0.3 0.7
;
36 1 46 68 parsed_1sxe 1
stop_
save_