Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype | item_count |
|
|
30748 | 1d8v RC | 4522 | cing | recoord | 2-parsed | STAR | distance | NOE | simple | 25 |
data_1d8v_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1d8v
_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_1d8v 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1d8v
_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 1d8v "Master copy" parsed_1d8v
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1d8v
_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 1d8v.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1d8v 1
1 1d8v.mr . . XPLOR/CNS 2 distance NOE simple 25 parsed_1d8v 1
1 1d8v.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 0 parsed_1d8v 1
1 1d8v.mr . . XPLOR/CNS 4 distance NOE simple 0 parsed_1d8v 1
1 1d8v.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1d8v 1
1 1d8v.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1d8v 1
1 1d8v.mr . . n/a 7 comment "Not applicable" "Not applicable" 0 parsed_1d8v 1
1 1d8v.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1d8v 1
stop_
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1d8v
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 2
_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_1d8v 1
2 1 . . . parsed_1d8v 1
3 1 . . . parsed_1d8v 1
4 1 . . . parsed_1d8v 1
5 1 . . . parsed_1d8v 1
6 1 . . . parsed_1d8v 1
7 1 . . . parsed_1d8v 1
8 1 . . . parsed_1d8v 1
9 1 . . . parsed_1d8v 1
10 1 . . . parsed_1d8v 1
11 1 . . . parsed_1d8v 1
12 1 . . . parsed_1d8v 1
13 1 . . . parsed_1d8v 1
14 1 . . . parsed_1d8v 1
15 1 . . . parsed_1d8v 1
16 1 . . . parsed_1d8v 1
17 1 . . . parsed_1d8v 1
18 1 . . . parsed_1d8v 1
19 1 . . . parsed_1d8v 1
20 1 . . . parsed_1d8v 1
21 1 . . . parsed_1d8v 1
22 1 . . . parsed_1d8v 1
23 1 . . . parsed_1d8v 1
24 1 . . . parsed_1d8v 1
25 1 . . . parsed_1d8v 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 . . . . . . . . . 24 . HA parsed_1d8v 1
1 1 2 . . . . . . . . . 24 . HN parsed_1d8v 1
2 1 1 . . . . . . . . . 32 . HA parsed_1d8v 1
2 1 2 . . . . . . . . . 32 . HN parsed_1d8v 1
3 1 1 . . . . . . . . . 33 . HA parsed_1d8v 1
3 1 2 . . . . . . . . . 33 . HN parsed_1d8v 1
4 1 1 . . . . . . . . . 57 . HA parsed_1d8v 1
4 1 2 . . . . . . . . . 57 . HN parsed_1d8v 1
5 1 1 . . . . . . . . . 69 . HA parsed_1d8v 1
5 1 2 . . . . . . . . . 69 . HN parsed_1d8v 1
6 1 1 . . . . . . . . . 77 . HA parsed_1d8v 1
6 1 2 . . . . . . . . . 77 . HN parsed_1d8v 1
7 1 1 . . . . . . . . . 85 . HA parsed_1d8v 1
7 1 2 . . . . . . . . . 85 . HN parsed_1d8v 1
8 1 1 . . . . . . . . . 117 . HA parsed_1d8v 1
8 1 2 . . . . . . . . . 117 . HN parsed_1d8v 1
9 1 1 . . . . . . . . . 204 . HA# parsed_1d8v 1
9 1 2 . . . . . . . . . 204 . HN parsed_1d8v 1
10 1 1 . . . . . . . . . 205 . HA# parsed_1d8v 1
10 1 2 . . . . . . . . . 205 . HN parsed_1d8v 1
11 1 1 . . . . . . . . . 218 . HA# parsed_1d8v 1
11 1 2 . . . . . . . . . 218 . HN parsed_1d8v 1
12 1 1 . . . . . . . . . 248 . HA parsed_1d8v 1
12 1 2 . . . . . . . . . 248 . HN parsed_1d8v 1
13 1 1 . . . . . . . . . 249 . HA parsed_1d8v 1
13 1 2 . . . . . . . . . 249 . HN parsed_1d8v 1
14 1 1 . . . . . . . . . 253 . HA parsed_1d8v 1
14 1 2 . . . . . . . . . 253 . HN parsed_1d8v 1
15 1 1 . . . . . . . . . 70 . HB1 parsed_1d8v 1
15 1 2 . . . . . . . . . 70 . HN parsed_1d8v 1
16 1 1 . . . . . . . . . 70 . HB2 parsed_1d8v 1
16 1 2 . . . . . . . . . 70 . HN parsed_1d8v 1
17 1 1 . . . . . . . . . 70 . HD# parsed_1d8v 1
17 1 2 . . . . . . . . . 70 . HN parsed_1d8v 1
18 1 1 . . . . . . . . . 109 . HB# parsed_1d8v 1
18 1 2 . . . . . . . . . 109 . HN parsed_1d8v 1
19 1 1 . . . . . . . . . 109 . HD# parsed_1d8v 1
19 1 2 . . . . . . . . . 109 . HN parsed_1d8v 1
20 1 1 . . . . . . . . . 109 . HB1 parsed_1d8v 1
20 1 2 . . . . . . . . . 109 . HN parsed_1d8v 1
21 1 1 . . . . . . . . . 109 . HB2 parsed_1d8v 1
21 1 2 . . . . . . . . . 109 . HN parsed_1d8v 1
22 1 1 . . . . . . . . . 158 . HG1 parsed_1d8v 1
22 1 2 . . . . . . . . . 158 . HN parsed_1d8v 1
23 1 1 . . . . . . . . . 158 . HG2 parsed_1d8v 1
23 1 2 . . . . . . . . . 158 . HN parsed_1d8v 1
24 1 1 . . . . . . . . . 161 . HB# parsed_1d8v 1
24 1 2 . . . . . . . . . 161 . HN parsed_1d8v 1
25 1 1 . . . . . . . . . 161 . HG# parsed_1d8v 1
25 1 2 . . . . . . . . . 161 . HN parsed_1d8v 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 . . . . . 2.5 1.8 2.9 parsed_1d8v 1
2 1 . . . . . 2.5 1.8 2.9 parsed_1d8v 1
3 1 . . . . . 2.5 1.8 2.9 parsed_1d8v 1
4 1 . . . . . 2.5 1.8 2.9 parsed_1d8v 1
5 1 . . . . . 2.5 1.8 2.9 parsed_1d8v 1
6 1 . . . . . 2.5 1.8 2.9 parsed_1d8v 1
7 1 . . . . . 2.5 1.8 2.9 parsed_1d8v 1
8 1 . . . . . 2.5 1.8 2.9 parsed_1d8v 1
9 1 . . . . . 2.5 1.8 3.9 parsed_1d8v 1
10 1 . . . . . 2.5 1.8 3.9 parsed_1d8v 1
11 1 . . . . . 2.5 1.8 3.9 parsed_1d8v 1
12 1 . . . . . 2.5 1.8 2.9 parsed_1d8v 1
13 1 . . . . . 2.5 1.8 2.9 parsed_1d8v 1
14 1 . . . . . 2.5 1.8 2.9 parsed_1d8v 1
15 1 . . . . . 2.5 1.8 2.9 parsed_1d8v 1
16 1 . . . . . 4.0 1.8 5.0 parsed_1d8v 1
17 1 . . . . . 3.0 1.8 5.7 parsed_1d8v 1
18 1 . . . . . 3.0 1.8 4.5 parsed_1d8v 1
19 1 . . . . . 4.0 1.8 7.7 parsed_1d8v 1
20 1 . . . . . 3.0 1.8 3.5 parsed_1d8v 1
21 1 . . . . . 4.0 1.8 5.0 parsed_1d8v 1
22 1 . . . . . 4.0 1.8 5.0 parsed_1d8v 1
23 1 . . . . . 4.0 1.8 5.0 parsed_1d8v 1
24 1 . . . . . 3.0 1.8 3.5 parsed_1d8v 1
25 1 . . . . . 3.0 1.8 3.5 parsed_1d8v 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
;
pck2xplr.nawk Table; Input File: nnnoe.tbl
Date: Wed Nov 19 11:05:08 EST 1997
Path: /u1/yxwang/structures
@ BEGIN_XPLR_PCK_SUM
@ END_XPLR_PCK_SUM
@ BEGIN_XPLR_NOE_FILE
Intraresidue constraints for 24,77,177,248,249,253 for phi ~+60
;
1 1 12 66 parsed_1d8v 1
2 "B.3778 at 4.00e-01" 14 77 14 97 parsed_1d8v 1
3 "B.3778 at 4.00e-01" 15 77 15 97 parsed_1d8v 1
4
;
B.3778 at 4.00e-01
assign (resid 43 and name HA ) (resid 43 and name HN ) 2.5 0.7 0.4 ! B.3778 at 4.00e-01
;
16 77 17 98 parsed_1d8v 1
5 "B.3778 at 4.00e-01" 18 77 18 97 parsed_1d8v 1
6 "B.3778 at 4.00e-01" 19 77 19 97 parsed_1d8v 1
7 "B.3778 at 4.00e-01" 20 77 20 97 parsed_1d8v 1
8 "B.3778 at 4.00e-01" 21 77 21 97 parsed_1d8v 1
9 "B.3778 at 4.00e-01" 22 77 22 97 parsed_1d8v 1
10 "B.3778 at 4.00e-01" 23 78 23 98 parsed_1d8v 1
11 "B.3778 at 4.00e-01" 24 78 24 98 parsed_1d8v 1
12 "B.3778 at 4.00e-01" 25 78 25 98 parsed_1d8v 1
13 "B.3778 at 4.00e-01" 26 77 26 97 parsed_1d8v 1
14 "B.3778 at 4.00e-01" 27 77 27 97 parsed_1d8v 1
15
;
B.3778 at 4.00e-01
Add intraresidue restraints for the active site residues
;
28 77 30 58 parsed_1d8v 1
16 "B.3778 at 4.00e-01" 31 78 31 98 parsed_1d8v 1
17 "B.3778 at 4.00e-01" 32 78 32 98 parsed_1d8v 1
18 "B.3778 at 4.00e-01" 33 78 33 98 parsed_1d8v 1
19 "B.3778 at 4.00e-01" 34 78 34 98 parsed_1d8v 1
20 "B.3778 at 4.00e-01" 35 78 35 98 parsed_1d8v 1
21 "B.3778 at 4.00e-01" 36 78 36 98 parsed_1d8v 1
22 "B.3778 at 4.00e-01" 37 78 37 98 parsed_1d8v 1
23 "B.3778 at 4.00e-01" 38 78 38 98 parsed_1d8v 1
24 "B.3778 at 4.00e-01" 39 78 39 98 parsed_1d8v 1
25 "B.3778 at 4.00e-01" 40 78 40 98 parsed_1d8v 1
26 "B.3778 at 4.00e-01" 41 78 41 98 parsed_1d8v 1
stop_
save_