NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
50794 |
2k3c   |
15747 | cing | 2-parsed | STAR | distance | NOE | ambi | 42 |
data_2k3c_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2k3c
_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_2k3c 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2k3c
_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 2k3c "Master copy" parsed_2k3c
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2k3c
_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 2k3c.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2k3c 1
1 2k3c.mr . . XPLOR/CNS 2 distance NOE simple 1302 parsed_2k3c 1
1 2k3c.mr . . XPLOR/CNS 3 distance NOE ambi 42 parsed_2k3c 1
1 2k3c.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2k3c 1
1 2k3c.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2k3c 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2k3c
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_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_2k3c 1
2 1 . . . parsed_2k3c 1
3 1 . . . parsed_2k3c 1
4 1 . . . parsed_2k3c 1
5 1 . . . parsed_2k3c 1
6 1 . . . parsed_2k3c 1
7 1 . . . parsed_2k3c 1
8 1 . . . parsed_2k3c 1
9 1 . . . parsed_2k3c 1
10 1 . . . parsed_2k3c 1
11 1 . . . parsed_2k3c 1
12 1 . . . parsed_2k3c 1
13 1 . . . parsed_2k3c 1
14 1 . . . parsed_2k3c 1
15 1 . . . parsed_2k3c 1
16 1 . . . parsed_2k3c 1
17 1 . . . parsed_2k3c 1
18 1 . . . parsed_2k3c 1
19 1 . . . parsed_2k3c 1
20 1 . . . parsed_2k3c 1
21 1 . . . parsed_2k3c 1
22 1 . . . parsed_2k3c 1
23 1 . . . parsed_2k3c 1
24 1 . . . parsed_2k3c 1
25 1 . . . parsed_2k3c 1
26 1 . . . parsed_2k3c 1
27 1 . . . parsed_2k3c 1
28 1 . . . parsed_2k3c 1
29 1 . . . parsed_2k3c 1
30 1 . . . parsed_2k3c 1
31 1 . . . parsed_2k3c 1
32 1 . . . parsed_2k3c 1
33 1 . . . parsed_2k3c 1
34 1 . . . parsed_2k3c 1
35 1 . . . parsed_2k3c 1
36 1 . . . parsed_2k3c 1
37 1 . . . parsed_2k3c 1
38 1 . . . parsed_2k3c 1
39 1 . . . parsed_2k3c 1
40 1 . . . parsed_2k3c 1
41 1 . . . parsed_2k3c 1
42 1 . . . parsed_2k3c 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 . . . . . . . . . 1 . HN parsed_2k3c 1
1 1 2 . . . . . . . . . 3 . HN parsed_2k3c 1
1 1 2 . . . . . . . . . 4 . HN parsed_2k3c 1
2 1 1 . . . . . . . . . 4 . HA parsed_2k3c 1
2 1 2 . . . . . . . . . 4 . HB* parsed_2k3c 1
2 1 2 . . . . . . . . . 4 . HE* parsed_2k3c 1
3 1 1 . . . . . . . . . 4 . HG* parsed_2k3c 1
3 1 2 . . . . . . . . . 4 . HB* parsed_2k3c 1
3 1 2 . . . . . . . . . 4 . HE* parsed_2k3c 1
4 1 1 . . . . . . . . . 4 . HN parsed_2k3c 1
4 1 2 . . . . . . . . . 4 . HB* parsed_2k3c 1
4 1 2 . . . . . . . . . 4 . HE* parsed_2k3c 1
5 1 1 . . . . . . . . . 4 . HB* parsed_2k3c 1
5 1 1 . . . . . . . . . 18 . HB* parsed_2k3c 1
5 1 2 . . . . . . . . . 4 . HG* parsed_2k3c 1
5 1 2 . . . . . . . . . 18 . HG* parsed_2k3c 1
6 1 1 . . . . . . . . . 4 . HB* parsed_2k3c 1
6 1 1 . . . . . . . . . 18 . HB* parsed_2k3c 1
6 1 2 . . . . . . . . . 18 . HG* parsed_2k3c 1
7 1 1 . . . . . . . . . 4 . HG* parsed_2k3c 1
7 1 1 . . . . . . . . . 18 . HG* parsed_2k3c 1
7 1 2 . . . . . . . . . 4 . HB* parsed_2k3c 1
7 1 2 . . . . . . . . . 18 . HB* parsed_2k3c 1
8 1 1 . . . . . . . . . 4 . HB* parsed_2k3c 1
8 1 1 . . . . . . . . . 4 . HE* parsed_2k3c 1
8 1 2 . . . . . . . . . 1 . HN parsed_2k3c 1
9 1 1 . . . . . . . . . 4 . HB* parsed_2k3c 1
9 1 1 . . . . . . . . . 4 . HE* parsed_2k3c 1
9 1 2 . . . . . . . . . 1 . HN parsed_2k3c 1
10 1 1 . . . . . . . . . 4 . HB* parsed_2k3c 1
10 1 1 . . . . . . . . . 4 . HE* parsed_2k3c 1
10 1 2 . . . . . . . . . 2 . HN parsed_2k3c 1
11 1 1 . . . . . . . . . 4 . HB* parsed_2k3c 1
11 1 1 . . . . . . . . . 4 . HE* parsed_2k3c 1
11 1 2 . . . . . . . . . 2 . HN parsed_2k3c 1
12 1 1 . . . . . . . . . 4 . HB* parsed_2k3c 1
12 1 1 . . . . . . . . . 4 . HE* parsed_2k3c 1
12 1 2 . . . . . . . . . 3 . HB* parsed_2k3c 1
13 1 1 . . . . . . . . . 4 . HB* parsed_2k3c 1
13 1 1 . . . . . . . . . 4 . HE* parsed_2k3c 1
13 1 2 . . . . . . . . . 3 . HB* parsed_2k3c 1
14 1 1 . . . . . . . . . 4 . HB* parsed_2k3c 1
14 1 1 . . . . . . . . . 4 . HE* parsed_2k3c 1
14 1 2 . . . . . . . . . 3 . HD* parsed_2k3c 1
15 1 1 . . . . . . . . . 4 . HB* parsed_2k3c 1
15 1 1 . . . . . . . . . 4 . HE* parsed_2k3c 1
15 1 2 . . . . . . . . . 3 . HD* parsed_2k3c 1
16 1 1 . . . . . . . . . 4 . HB* parsed_2k3c 1
16 1 1 . . . . . . . . . 4 . HE* parsed_2k3c 1
16 1 2 . . . . . . . . . 3 . HE* parsed_2k3c 1
17 1 1 . . . . . . . . . 4 . HB* parsed_2k3c 1
17 1 1 . . . . . . . . . 4 . HE* parsed_2k3c 1
17 1 2 . . . . . . . . . 4 . HA parsed_2k3c 1
18 1 1 . . . . . . . . . 4 . HB* parsed_2k3c 1
18 1 1 . . . . . . . . . 4 . HE* parsed_2k3c 1
18 1 2 . . . . . . . . . 4 . HA parsed_2k3c 1
19 1 1 . . . . . . . . . 4 . HB* parsed_2k3c 1
19 1 1 . . . . . . . . . 4 . HE* parsed_2k3c 1
19 1 2 . . . . . . . . . 4 . HN parsed_2k3c 1
20 1 1 . . . . . . . . . 4 . HB* parsed_2k3c 1
20 1 1 . . . . . . . . . 4 . HE* parsed_2k3c 1
20 1 2 . . . . . . . . . 4 . HN parsed_2k3c 1
21 1 1 . . . . . . . . . 4 . HB* parsed_2k3c 1
21 1 1 . . . . . . . . . 4 . HE* parsed_2k3c 1
21 1 2 . . . . . . . . . 5 . HB* parsed_2k3c 1
22 1 1 . . . . . . . . . 4 . HB* parsed_2k3c 1
22 1 1 . . . . . . . . . 4 . HE* parsed_2k3c 1
22 1 2 . . . . . . . . . 6 . HN parsed_2k3c 1
23 1 1 . . . . . . . . . 3 . HN parsed_2k3c 1
23 1 1 . . . . . . . . . 4 . HN parsed_2k3c 1
23 1 2 . . . . . . . . . 6 . HB* parsed_2k3c 1
24 1 1 . . . . . . . . . 5 . HB* parsed_2k3c 1
24 1 2 . . . . . . . . . 4 . HB* parsed_2k3c 1
24 1 2 . . . . . . . . . 4 . HE* parsed_2k3c 1
25 1 1 . . . . . . . . . 6 . HN parsed_2k3c 1
25 1 2 . . . . . . . . . 3 . HN parsed_2k3c 1
25 1 2 . . . . . . . . . 4 . HN parsed_2k3c 1
26 1 1 . . . . . . . . . 15 . HA parsed_2k3c 1
26 1 2 . . . . . . . . . 18 . HB* parsed_2k3c 1
26 1 2 . . . . . . . . . 18 . HE* parsed_2k3c 1
27 1 1 . . . . . . . . . 18 . HA parsed_2k3c 1
27 1 2 . . . . . . . . . 18 . HB* parsed_2k3c 1
27 1 2 . . . . . . . . . 18 . HE* parsed_2k3c 1
28 1 1 . . . . . . . . . 18 . HA parsed_2k3c 1
28 1 2 . . . . . . . . . 18 . HB* parsed_2k3c 1
28 1 2 . . . . . . . . . 18 . HE* parsed_2k3c 1
29 1 1 . . . . . . . . . 18 . HG* parsed_2k3c 1
29 1 2 . . . . . . . . . 18 . HB* parsed_2k3c 1
29 1 2 . . . . . . . . . 18 . HE* parsed_2k3c 1
30 1 1 . . . . . . . . . 18 . HN parsed_2k3c 1
30 1 2 . . . . . . . . . 18 . HB* parsed_2k3c 1
30 1 2 . . . . . . . . . 18 . HE* parsed_2k3c 1
31 1 1 . . . . . . . . . 18 . HN parsed_2k3c 1
31 1 2 . . . . . . . . . 18 . HB* parsed_2k3c 1
31 1 2 . . . . . . . . . 18 . HE* parsed_2k3c 1
32 1 1 . . . . . . . . . 18 . HB* parsed_2k3c 1
32 1 1 . . . . . . . . . 18 . HE* parsed_2k3c 1
32 1 2 . . . . . . . . . 18 . HA parsed_2k3c 1
33 1 1 . . . . . . . . . 18 . HB* parsed_2k3c 1
33 1 1 . . . . . . . . . 18 . HE* parsed_2k3c 1
33 1 2 . . . . . . . . . 18 . HA parsed_2k3c 1
34 1 1 . . . . . . . . . 18 . HB* parsed_2k3c 1
34 1 1 . . . . . . . . . 18 . HE* parsed_2k3c 1
34 1 2 . . . . . . . . . 18 . HN parsed_2k3c 1
35 1 1 . . . . . . . . . 18 . HB* parsed_2k3c 1
35 1 1 . . . . . . . . . 18 . HE* parsed_2k3c 1
35 1 2 . . . . . . . . . 18 . HN parsed_2k3c 1
36 1 1 . . . . . . . . . 18 . HB* parsed_2k3c 1
36 1 1 . . . . . . . . . 18 . HE* parsed_2k3c 1
36 1 2 . . . . . . . . . 20 . HN parsed_2k3c 1
37 1 1 . . . . . . . . . 18 . HB* parsed_2k3c 1
37 1 1 . . . . . . . . . 18 . HE* parsed_2k3c 1
37 1 2 . . . . . . . . . 20 . HN parsed_2k3c 1
38 1 1 . . . . . . . . . 19 . HB* parsed_2k3c 1
38 1 2 . . . . . . . . . 18 . HB* parsed_2k3c 1
38 1 2 . . . . . . . . . 18 . HE* parsed_2k3c 1
39 1 1 . . . . . . . . . 21 . HN parsed_2k3c 1
39 1 1 . . . . . . . . . 24 . HN parsed_2k3c 1
39 1 2 . . . . . . . . . 23 . HB* parsed_2k3c 1
40 1 1 . . . . . . . . . 21 . HN parsed_2k3c 1
40 1 1 . . . . . . . . . 24 . HN parsed_2k3c 1
40 1 2 . . . . . . . . . 23 . HN parsed_2k3c 1
41 1 1 . . . . . . . . . 21 . HN parsed_2k3c 1
41 1 1 . . . . . . . . . 24 . HN parsed_2k3c 1
41 1 2 . . . . . . . . . 23 . HB* parsed_2k3c 1
41 1 2 . . . . . . . . . 24 . HA* parsed_2k3c 1
42 1 1 . . . . . . . . . 21 . HA parsed_2k3c 1
42 1 2 . . . . . . . . . 25 . HN parsed_2k3c 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 . . . . . 3.400 1.800 5.000 parsed_2k3c 1
2 1 . . . . . 3.900 1.800 6.000 parsed_2k3c 1
3 1 . . . . . 2.900 1.800 4.000 parsed_2k3c 1
4 1 . . . . . 3.900 1.800 6.000 parsed_2k3c 1
5 1 . . . . . 3.900 1.800 6.000 parsed_2k3c 1
6 1 . . . . . 3.900 1.800 6.000 parsed_2k3c 1
7 1 . . . . . 3.900 1.800 6.000 parsed_2k3c 1
8 1 . . . . . 3.400 1.800 5.000 parsed_2k3c 1
9 1 . . . . . 3.900 1.800 6.000 parsed_2k3c 1
10 1 . . . . . 3.400 1.800 5.000 parsed_2k3c 1
11 1 . . . . . 3.400 1.800 5.000 parsed_2k3c 1
12 1 . . . . . 3.400 1.800 5.000 parsed_2k3c 1
13 1 . . . . . 3.400 1.800 5.000 parsed_2k3c 1
14 1 . . . . . 3.400 1.800 5.000 parsed_2k3c 1
15 1 . . . . . 2.300 1.800 2.800 parsed_2k3c 1
16 1 . . . . . 2.900 1.800 4.000 parsed_2k3c 1
17 1 . . . . . 3.900 1.800 6.000 parsed_2k3c 1
18 1 . . . . . 3.900 1.800 6.000 parsed_2k3c 1
19 1 . . . . . 3.900 1.800 6.000 parsed_2k3c 1
20 1 . . . . . 3.900 1.800 6.000 parsed_2k3c 1
21 1 . . . . . 3.900 1.800 6.000 parsed_2k3c 1
22 1 . . . . . 3.900 1.800 6.000 parsed_2k3c 1
23 1 . . . . . 3.900 1.800 6.000 parsed_2k3c 1
24 1 . . . . . 3.900 1.800 6.000 parsed_2k3c 1
25 1 . . . . . 3.400 1.800 5.000 parsed_2k3c 1
26 1 . . . . . 3.900 1.800 6.000 parsed_2k3c 1
27 1 . . . . . 3.900 1.800 6.000 parsed_2k3c 1
28 1 . . . . . 3.900 1.800 6.000 parsed_2k3c 1
29 1 . . . . . 3.400 1.800 5.000 parsed_2k3c 1
30 1 . . . . . 3.400 1.800 5.000 parsed_2k3c 1
31 1 . . . . . 3.400 1.800 5.000 parsed_2k3c 1
32 1 . . . . . 3.900 1.800 6.000 parsed_2k3c 1
33 1 . . . . . 3.900 1.800 6.000 parsed_2k3c 1
34 1 . . . . . 3.400 1.800 5.000 parsed_2k3c 1
35 1 . . . . . 3.900 1.800 6.000 parsed_2k3c 1
36 1 . . . . . 3.400 1.800 5.000 parsed_2k3c 1
37 1 . . . . . 3.400 1.800 5.000 parsed_2k3c 1
38 1 . . . . . 3.900 1.800 6.000 parsed_2k3c 1
39 1 . . . . . 3.900 1.800 6.000 parsed_2k3c 1
40 1 . . . . . 3.900 1.800 6.000 parsed_2k3c 1
41 1 . . . . . 3.900 1.800 6.000 parsed_2k3c 1
42 1 . . . . . 3.900 1.800 6.000 parsed_2k3c 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
;
--------------------------------------------------------------------------
Ambiguous NOEs
;
1 1 2 17 parsed_2k3c 1
2 "incr to 5.0 after round 10. (54 viol avg 0.274)" 5 27 5 76 parsed_2k3c 1
3 "shortened - calc dist 6.377" 8 27 8 56 parsed_2k3c 1
4 "no changes - calc dist 3.370" 11 27 11 57 parsed_2k3c 1
5 "shortened - calc dist 8.173" 14 27 14 56 parsed_2k3c 1
6 "shortened - calc dist 6.725" 17 27 17 56 parsed_2k3c 1
7 "shortened - calc dist 6.337" 20 27 20 56 parsed_2k3c 1
8 "no changes - calc dist 5.592" 23 27 23 57 parsed_2k3c 1
9 "incr to 5.0 after round 8. (64 viol avg 0.237)" 26 27 26 75 parsed_2k3c 1
10 "no changes - calc dist 5.152" 29 27 29 57 parsed_2k3c 1
11 "incr to 5.0 after round 8. (89 viol avg 0.265)" 32 27 32 75 parsed_2k3c 1
12 "incr to 5.0 after round 8. (89 viol avg 0.265)" 35 27 35 75 parsed_2k3c 1
13 "no changes - calc dist 4.128" 38 27 38 57 parsed_2k3c 1
14 "no changes - calc dist 4.993" 41 27 41 57 parsed_2k3c 1
15 "no changes - calc dist 4.285" 44 27 44 57 parsed_2k3c 1
16 "no changes - calc dist 2.143" 47 27 47 57 parsed_2k3c 1
17 "no changes - calc dist 3.937" 50 27 50 57 parsed_2k3c 1
18 "no changes - calc dist 5.779" 53 27 53 57 parsed_2k3c 1
19 "no changes - calc dist 5.072" 56 27 56 57 parsed_2k3c 1
20 "shortened - calc dist 8.199" 59 27 59 56 parsed_2k3c 1
21 "shortened - calc dist 8.250" 62 27 62 56 parsed_2k3c 1
22 "shortened - calc dist 6.539" 65 27 65 56 parsed_2k3c 1
23 "incr to 6.0 after round 15. (38 viol avg 0.149)" 68 27 68 76 parsed_2k3c 1
24 "shortened - calc dist 6.404" 71 27 71 56 parsed_2k3c 1
25 "shortened - calc dist 7.282" 74 27 74 56 parsed_2k3c 1
26 "no changes - calc dist 4.927" 77 27 77 57 parsed_2k3c 1
27 "no changes - calc dist 5.153" 80 27 80 57 parsed_2k3c 1
28 "no changes - calc dist 5.074" 83 27 83 57 parsed_2k3c 1
29 "no changes - calc dist 5.253" 86 27 86 57 parsed_2k3c 1
30 "no changes - calc dist 4.087" 89 27 89 57 parsed_2k3c 1
31 "no changes - calc dist 4.543" 92 27 92 57 parsed_2k3c 1
32 "no changes - calc dist 4.868" 95 27 95 57 parsed_2k3c 1
33 "shortened - calc dist 7.888" 98 27 98 56 parsed_2k3c 1
34 "shortened - calc dist 7.190" 101 27 101 56 parsed_2k3c 1
35 "no changes - calc dist 4.689" 104 27 104 57 parsed_2k3c 1
36 "no changes - calc dist 5.482" 107 27 107 57 parsed_2k3c 1
37 "incr to 5.0 after round 15. (44 viol avg 0.185)" 110 27 110 76 parsed_2k3c 1
38 "incr to 5.0 after round 15. (44 viol avg 0.185)" 113 27 113 76 parsed_2k3c 1
39 "shortened - calc dist 7.058" 116 27 116 56 parsed_2k3c 1
40 "shortened - calc dist 8.307" 119 27 119 56 parsed_2k3c 1
41 "no changes - calc dist 5.010" 122 27 122 57 parsed_2k3c 1
42 "shortened - calc dist 8.446" 125 27 125 56 parsed_2k3c 1
43 "could be commented out due to major violation after round 14" 128 27 128 89 parsed_2k3c 1
stop_
save_
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