Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
53462 | 2rmk RC | 11010 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 35 |
data_2rmk_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2rmk
_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_2rmk 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2rmk
_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 2rmk "Master copy" parsed_2rmk
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2rmk
_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 2rmk.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2rmk 1
1 2rmk.mr . . XPLOR/CNS 2 distance NOE ambi 3629 parsed_2rmk 1
1 2rmk.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 35 parsed_2rmk 1
1 2rmk.mr . . XPLOR/CNS 4 distance NOE ambi 0 parsed_2rmk 1
1 2rmk.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2rmk 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2rmk
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 3
_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_2rmk 1
2 1 . . . parsed_2rmk 1
3 1 . . . parsed_2rmk 1
4 1 . . . parsed_2rmk 1
5 1 . . . parsed_2rmk 1
6 1 . . . parsed_2rmk 1
7 1 . . . parsed_2rmk 1
8 1 . . . parsed_2rmk 1
9 1 . . . parsed_2rmk 1
10 1 . . . parsed_2rmk 1
11 1 . . . parsed_2rmk 1
12 1 . . . parsed_2rmk 1
13 1 . . . parsed_2rmk 1
14 1 . . . parsed_2rmk 1
15 1 . . . parsed_2rmk 1
16 1 . . . parsed_2rmk 1
17 1 . . . parsed_2rmk 1
18 1 . . . parsed_2rmk 1
19 1 . . . parsed_2rmk 1
20 1 . . . parsed_2rmk 1
21 1 . . . parsed_2rmk 1
22 1 . . . parsed_2rmk 1
23 1 . . . parsed_2rmk 1
24 1 . . . parsed_2rmk 1
25 1 . . . parsed_2rmk 1
26 1 . . . parsed_2rmk 1
27 1 . . . parsed_2rmk 1
28 1 . . . parsed_2rmk 1
29 1 . . . parsed_2rmk 1
30 1 . . . parsed_2rmk 1
31 1 . . . parsed_2rmk 1
32 1 . . . parsed_2rmk 1
33 1 . . . parsed_2rmk 1
34 1 . . . parsed_2rmk 1
35 1 . . . parsed_2rmk 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 . . . . . . . . . 17 . OG1 parsed_2rmk 1
1 1 2 . . . . . . . . . 193 . MG parsed_2rmk 1
2 1 1 . . . . . . . . . 35 . OG1 parsed_2rmk 1
2 1 2 . . . . . . . . . 193 . MG parsed_2rmk 1
3 1 1 . . . . . . . . . 193 . O2B parsed_2rmk 1
3 1 2 . . . . . . . . . 193 . MG parsed_2rmk 1
4 1 1 . . . . . . . . . 193 . O2G parsed_2rmk 1
4 1 2 . . . . . . . . . 193 . MG parsed_2rmk 1
5 1 1 . . . . . . . . . 193 . OT1 parsed_2rmk 1
5 1 2 . . . . . . . . . 193 . MG parsed_2rmk 1
6 1 1 . . . . . . . . . 193 . OT2 parsed_2rmk 1
6 1 2 . . . . . . . . . 193 . MG parsed_2rmk 1
7 1 1 . . . . . . . . . 17 . OG1 parsed_2rmk 1
7 1 2 . . . . . . . . . 193 . O2G parsed_2rmk 1
8 1 1 . . . . . . . . . 35 . OG1 parsed_2rmk 1
8 1 2 . . . . . . . . . 193 . O2B parsed_2rmk 1
9 1 1 . . . . . . . . . 193 . OT1 parsed_2rmk 1
9 1 2 . . . . . . . . . 193 . OT2 parsed_2rmk 1
10 1 1 . . . . . . . . . 193 . OT1 parsed_2rmk 1
10 1 2 . . . . . . . . . 17 . OG1 parsed_2rmk 1
11 1 1 . . . . . . . . . 193 . OT2 parsed_2rmk 1
11 1 2 . . . . . . . . . 17 . OG1 parsed_2rmk 1
12 1 1 . . . . . . . . . 193 . OT1 parsed_2rmk 1
12 1 2 . . . . . . . . . 193 . O2G parsed_2rmk 1
13 1 1 . . . . . . . . . 193 . OT2 parsed_2rmk 1
13 1 2 . . . . . . . . . 193 . O2G parsed_2rmk 1
14 1 1 . . . . . . . . . 193 . OT1 parsed_2rmk 1
14 1 2 . . . . . . . . . 35 . OG1 parsed_2rmk 1
15 1 1 . . . . . . . . . 193 . OT2 parsed_2rmk 1
15 1 2 . . . . . . . . . 35 . OG1 parsed_2rmk 1
16 1 1 . . . . . . . . . 193 . OT1 parsed_2rmk 1
16 1 2 . . . . . . . . . 193 . O2B parsed_2rmk 1
17 1 1 . . . . . . . . . 193 . OT2 parsed_2rmk 1
17 1 2 . . . . . . . . . 193 . O2B parsed_2rmk 1
18 1 1 . . . . . . . . . 35 . OG1 parsed_2rmk 1
18 1 2 . . . . . . . . . 17 . OG1 parsed_2rmk 1
19 1 1 . . . . . . . . . 193 . O2B parsed_2rmk 1
19 1 2 . . . . . . . . . 17 . OG1 parsed_2rmk 1
20 1 1 . . . . . . . . . 35 . OG1 parsed_2rmk 1
20 1 2 . . . . . . . . . 193 . O2G parsed_2rmk 1
21 1 1 . . . . . . . . . 193 . O2B parsed_2rmk 1
21 1 2 . . . . . . . . . 193 . O2G parsed_2rmk 1
22 1 1 . . . . . . . . . 15 . N parsed_2rmk 1
22 1 2 . . . . . . . . . 193 . O1B parsed_2rmk 1
23 1 1 . . . . . . . . . 15 . N parsed_2rmk 1
23 1 2 . . . . . . . . . 193 . O3A parsed_2rmk 1
24 1 1 . . . . . . . . . 16 . NZ parsed_2rmk 1
24 1 2 . . . . . . . . . 193 . O1B parsed_2rmk 1
25 1 1 . . . . . . . . . 16 . NZ parsed_2rmk 1
25 1 2 . . . . . . . . . 193 . O1G parsed_2rmk 1
26 1 1 . . . . . . . . . 17 . N parsed_2rmk 1
26 1 2 . . . . . . . . . 193 . O1A parsed_2rmk 1
27 1 1 . . . . . . . . . 17 . N parsed_2rmk 1
27 1 2 . . . . . . . . . 193 . O2B parsed_2rmk 1
28 1 1 . . . . . . . . . 17 . OG1 parsed_2rmk 1
28 1 2 . . . . . . . . . 193 . O2B parsed_2rmk 1
29 1 1 . . . . . . . . . 18 . N parsed_2rmk 1
29 1 2 . . . . . . . . . 193 . O1A parsed_2rmk 1
30 1 1 . . . . . . . . . 35 . OG1 parsed_2rmk 1
30 1 2 . . . . . . . . . 193 . O2G parsed_2rmk 1
31 1 1 . . . . . . . . . 60 . N parsed_2rmk 1
31 1 2 . . . . . . . . . 193 . O1G parsed_2rmk 1
32 1 1 . . . . . . . . . 116 . NZ parsed_2rmk 1
32 1 2 . . . . . . . . . 193 . O4' parsed_2rmk 1
33 1 1 . . . . . . . . . 118 . OD1 parsed_2rmk 1
33 1 2 . . . . . . . . . 193 . N1 parsed_2rmk 1
34 1 1 . . . . . . . . . 118 . OD2 parsed_2rmk 1
34 1 2 . . . . . . . . . 193 . N2 parsed_2rmk 1
35 1 1 . . . . . . . . . 159 . N parsed_2rmk 1
35 1 2 . . . . . . . . . 193 . O6 parsed_2rmk 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 . . . . . 2.30 2.20 2.40 parsed_2rmk 1
2 1 . . . . . 2.30 2.20 2.40 parsed_2rmk 1
3 1 . . . . . 2.30 2.20 2.40 parsed_2rmk 1
4 1 . . . . . 2.30 2.20 2.40 parsed_2rmk 1
5 1 . . . . . 2.30 2.20 2.40 parsed_2rmk 1
6 1 . . . . . 2.30 2.20 2.40 parsed_2rmk 1
7 1 . . . . . 4.60 4.40 4.80 parsed_2rmk 1
8 1 . . . . . 4.60 4.40 4.80 parsed_2rmk 1
9 1 . . . . . 4.60 4.40 4.80 parsed_2rmk 1
10 1 . . . . . 3.25 3.05 3.45 parsed_2rmk 1
11 1 . . . . . 3.25 3.05 3.45 parsed_2rmk 1
12 1 . . . . . 3.25 3.05 3.45 parsed_2rmk 1
13 1 . . . . . 3.25 3.05 3.45 parsed_2rmk 1
14 1 . . . . . 3.25 3.05 3.45 parsed_2rmk 1
15 1 . . . . . 3.25 3.05 3.45 parsed_2rmk 1
16 1 . . . . . 3.25 3.05 3.45 parsed_2rmk 1
17 1 . . . . . 3.25 3.05 3.45 parsed_2rmk 1
18 1 . . . . . 3.25 3.05 3.45 parsed_2rmk 1
19 1 . . . . . 3.25 3.05 3.45 parsed_2rmk 1
20 1 . . . . . 3.25 3.05 3.45 parsed_2rmk 1
21 1 . . . . . 3.25 3.05 3.45 parsed_2rmk 1
22 1 . . . . . 2.98 2.68 3.28 parsed_2rmk 1
23 1 . . . . . 3.21 2.91 3.51 parsed_2rmk 1
24 1 . . . . . 2.84 2.54 3.14 parsed_2rmk 1
25 1 . . . . . 2.66 2.36 2.96 parsed_2rmk 1
26 1 . . . . . 3.24 2.94 3.54 parsed_2rmk 1
27 1 . . . . . 2.97 2.67 3.27 parsed_2rmk 1
28 1 . . . . . 2.95 2.65 3.25 parsed_2rmk 1
29 1 . . . . . 2.80 2.50 3.10 parsed_2rmk 1
30 1 . . . . . 3.30 3.00 3.60 parsed_2rmk 1
31 1 . . . . . 2.80 2.50 3.10 parsed_2rmk 1
32 1 . . . . . 3.12 2.82 3.42 parsed_2rmk 1
33 1 . . . . . 2.76 2.46 3.06 parsed_2rmk 1
34 1 . . . . . 2.83 2.53 3.13 parsed_2rmk 1
35 1 . . . . . 2.98 2.68 3.28 parsed_2rmk 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 "Thr distances" 1 1 1 15 parsed_2rmk 1
2 "GMP distances" 4 1 4 15 parsed_2rmk 1
3 "Water distances" 7 1 7 17 parsed_2rmk 1
4 "Distances to keep it octahedral" 10 1 10 33 parsed_2rmk 1
5
;
OT2
|
T17-O-MG-O2G
|
OT1
;
14 1 18 26 parsed_2rmk 1
6
;
OT2
|
T35-O-MG-O2B
|
OT1
;
23 1 27 26 parsed_2rmk 1
7
;
O2G
|
T35-O-MG-O2B
|
O-T17
;
32 1 36 28 parsed_2rmk 1
8 "more distances from Rac Xal structure to keep nucleotide in the right place" 41 1 42 78 parsed_2rmk 1
9 "!assi (resi 16 and name N ) (resid 193 and name O1B ) 2.94 0.30 0.30" 45 1 45 78 parsed_2rmk 1
stop_
save_