NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
599769 |
2n8r   |
25859 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 15 |
data_2n8r_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2n8r
_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_2n8r 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2n8r
_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 2n8r "Master copy" parsed_2n8r
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2n8r
_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 2n8r.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2n8r 1
1 2n8r.mr . . XPLOR/CNS 2 distance NOE ambi 28 parsed_2n8r 1
1 2n8r.mr . . XPLOR/CNS 3 distance PRE "Not applicable" 152 parsed_2n8r 1
1 2n8r.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 15 parsed_2n8r 1
1 2n8r.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2n8r 1
stop_
save_
save_CNS/XPLOR_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2n8r
_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_2n8r 1
2 1 . . . parsed_2n8r 1
3 1 . . . parsed_2n8r 1
4 1 . . . parsed_2n8r 1
5 1 . . . parsed_2n8r 1
6 1 . . . parsed_2n8r 1
7 1 . . . parsed_2n8r 1
8 1 . . . parsed_2n8r 1
9 1 . . . parsed_2n8r 1
10 1 . . . parsed_2n8r 1
11 1 . . . parsed_2n8r 1
12 1 . . . parsed_2n8r 1
13 1 . . . parsed_2n8r 1
14 1 . . . parsed_2n8r 1
15 1 . . . parsed_2n8r 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 . . . . . . . . B 4 . HN parsed_2n8r 1
1 1 2 . . . . . . . . B 38 . O parsed_2n8r 1
2 1 1 . . . . . . . . B 7 . HN parsed_2n8r 1
2 1 2 . . . . . . . . B 41 . O parsed_2n8r 1
3 1 1 . . . . . . . . B 10 . HN parsed_2n8r 1
3 1 2 . . . . . . . . B 44 . O parsed_2n8r 1
4 1 1 . . . . . . . . B 31 . HN parsed_2n8r 1
4 1 2 . . . . . . . . B 65 . O parsed_2n8r 1
5 1 1 . . . . . . . . B 34 . HN parsed_2n8r 1
5 1 2 . . . . . . . . B 68 . O parsed_2n8r 1
6 1 1 . . . . . . . . B 40 . HN parsed_2n8r 1
6 1 2 . . . . . . . . B 74 . O parsed_2n8r 1
7 1 1 . . . . . . . . B 43 . HN parsed_2n8r 1
7 1 2 . . . . . . . . B 77 . O parsed_2n8r 1
8 1 1 . . . . . . . . B 46 . HN parsed_2n8r 1
8 1 2 . . . . . . . . B 80 . O parsed_2n8r 1
9 1 1 . . . . . . . . B 67 . HN parsed_2n8r 1
9 1 2 . . . . . . . . B 101 . O parsed_2n8r 1
10 1 1 . . . . . . . . B 70 . HN parsed_2n8r 1
10 1 2 . . . . . . . . B 104 . O parsed_2n8r 1
11 1 1 . . . . . . . . B 73 . HN parsed_2n8r 1
11 1 2 . . . . . . . . B 2 . O parsed_2n8r 1
12 1 1 . . . . . . . . B 76 . HN parsed_2n8r 1
12 1 2 . . . . . . . . B 5 . O parsed_2n8r 1
13 1 1 . . . . . . . . B 79 . HN parsed_2n8r 1
13 1 2 . . . . . . . . B 8 . O parsed_2n8r 1
14 1 1 . . . . . . . . B 103 . HN parsed_2n8r 1
14 1 2 . . . . . . . . B 32 . O parsed_2n8r 1
15 1 1 . . . . . . . . B 106 . HN parsed_2n8r 1
15 1 2 . . . . . . . . B 35 . O parsed_2n8r 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 . . . . . 1.900 1.700 2.400 parsed_2n8r 1
2 1 . . . . . 1.900 1.700 2.400 parsed_2n8r 1
3 1 . . . . . 1.900 1.700 2.400 parsed_2n8r 1
4 1 . . . . . 1.900 1.700 2.400 parsed_2n8r 1
5 1 . . . . . 1.900 1.700 2.400 parsed_2n8r 1
6 1 . . . . . 1.900 1.700 2.400 parsed_2n8r 1
7 1 . . . . . 1.900 1.700 2.400 parsed_2n8r 1
8 1 . . . . . 1.900 1.700 2.400 parsed_2n8r 1
9 1 . . . . . 1.900 1.700 2.400 parsed_2n8r 1
10 1 . . . . . 1.900 1.700 2.400 parsed_2n8r 1
11 1 . . . . . 1.900 1.700 2.400 parsed_2n8r 1
12 1 . . . . . 1.900 1.700 2.400 parsed_2n8r 1
13 1 . . . . . 1.900 1.700 2.400 parsed_2n8r 1
14 1 . . . . . 1.900 1.700 2.400 parsed_2n8r 1
15 1 . . . . . 1.900 1.700 2.400 parsed_2n8r 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 "Lead to middle:" 1 1 1 18 parsed_2n8r 1
2
;
assign (resid 13 and segid B and name HN) (resid 47 and segid B and name O) 1.900 0.200 0.500
assign (resid 16 and segid B and name HN) (resid 50 and segid B and name O) 1.900 0.200 0.500
assign (resid 19 and segid B and name HN) (resid 53 and segid B and name O) 1.900 0.200 0.500
assign (resid 22 and segid B and name HN) (resid 56 and segid B and name O) 1.900 0.200 0.500
assign (resid 25 and segid B and name HN) (resid 59 and segid B and name O) 1.900 0.200 0.500
assign (resid 28 and segid B and name HN) (resid 62 and segid B and name O) 1.900 0.200 0.500
;
5 1 10 95 parsed_2n8r 1
3 "Middle to trailing:" 14 1 14 22 parsed_2n8r 1
4
;
assign (resid 49 and segid B and name HN) (resid 83 and segid B and name O) 1.900 0.200 0.500
assign (resid 52 and segid B and name HN) (resid 86 and segid B and name O) 1.900 0.200 0.500
assign (resid 55 and segid B and name HN) (resid 89 and segid B and name O) 1.900 0.200 0.500
assign (resid 58 and segid B and name HN) (resid 92 and segid B and name O) 1.900 0.200 0.500
assign (resid 61 and segid B and name HN) (resid 95 and segid B and name O) 1.900 0.200 0.500
assign (resid 64 and segid B and name HN) (resid 98 and segid B and name O) 1.900 0.200 0.500
;
18 1 23 95 parsed_2n8r 1
5 "Trailing to lead:" 27 1 27 20 parsed_2n8r 1
6
;
assign (resid 82 and segid B and name HN) (resid 11 and segid B and name O) 1.900 0.200 0.500
assign (resid 85 and segid B and name HN) (resid 14 and segid B and name O) 1.900 0.200 0.500
assign (resid 88 and segid B and name HN) (resid 17 and segid B and name O) 1.900 0.200 0.500
assign (resid 91 and segid B and name HN) (resid 20 and segid B and name O) 1.900 0.200 0.500
assign (resid 94 and segid B and name HN) (resid 23 and segid B and name O) 1.900 0.200 0.500
assign (resid 97 and segid B and name HN) (resid 26 and segid B and name O) 1.900 0.200 0.500
assign (resid 100 and segid B and name HN) (resid 29 and segid B and name O) 1.900 0.200 0.500
;
31 1 37 96 parsed_2n8r 1
stop_
save_
Contact the webmaster for help, if required. Saturday, June 1, 2024 3:37:06 AM GMT (wattos1)