NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
526301 |
2l91   |
17433 | cing | 2-parsed | STAR | distance | NOE | simple | 43 |
data_2l91_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2l91
_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_2l91 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2l91
_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 2l91 "Master copy" parsed_2l91
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2l91
_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 2l91.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2l91 1
1 2l91.mr . . NMRPipe 2 "coupling constant" "Not applicable" "Not applicable" 0 parsed_2l91 1
1 2l91.mr . . XPLOR/CNS 3 distance NOE simple 43 parsed_2l91 1
1 2l91.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 0 parsed_2l91 1
1 2l91.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2l91 1
1 2l91.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2l91 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2l91
_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_2l91 1
2 1 . . . parsed_2l91 1
3 1 . . . parsed_2l91 1
4 1 . . . parsed_2l91 1
5 1 . . . parsed_2l91 1
6 1 . . . parsed_2l91 1
7 1 . . . parsed_2l91 1
8 1 . . . parsed_2l91 1
9 1 . . . parsed_2l91 1
10 1 . . . parsed_2l91 1
11 1 . . . parsed_2l91 1
12 1 . . . parsed_2l91 1
13 1 . . . parsed_2l91 1
14 1 . . . parsed_2l91 1
15 1 . . . parsed_2l91 1
16 1 . . . parsed_2l91 1
17 1 . . . parsed_2l91 1
18 1 . . . parsed_2l91 1
19 1 . . . parsed_2l91 1
20 1 . . . parsed_2l91 1
21 1 . . . parsed_2l91 1
22 1 . . . parsed_2l91 1
23 1 . . . parsed_2l91 1
24 1 . . . parsed_2l91 1
25 1 . . . parsed_2l91 1
26 1 . . . parsed_2l91 1
27 1 . . . parsed_2l91 1
28 1 . . . parsed_2l91 1
29 1 . . . parsed_2l91 1
30 1 . . . parsed_2l91 1
31 1 . . . parsed_2l91 1
32 1 . . . parsed_2l91 1
33 1 . . . parsed_2l91 1
34 1 . . . parsed_2l91 1
35 1 . . . parsed_2l91 1
36 1 . . . parsed_2l91 1
37 1 . . . parsed_2l91 1
38 1 . . . parsed_2l91 1
39 1 . . . parsed_2l91 1
40 1 . . . parsed_2l91 1
41 1 . . . parsed_2l91 1
42 1 . . . parsed_2l91 1
43 1 . . . parsed_2l91 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 . . . . . . . . . 9 . HN parsed_2l91 1
1 1 2 . . . . . . . . . 11 . HN parsed_2l91 1
2 1 1 . . . . . . . . . 9 . HN parsed_2l91 1
2 1 2 . . . . . . . . . 12 . HN parsed_2l91 1
3 1 1 . . . . . . . . . 10 . HN parsed_2l91 1
3 1 2 . . . . . . . . . 11 . HN parsed_2l91 1
4 1 1 . . . . . . . . . 11 . HN parsed_2l91 1
4 1 2 . . . . . . . . . 12 . HN parsed_2l91 1
5 1 1 . . . . . . . . . 11 . HN parsed_2l91 1
5 1 2 . . . . . . . . . 13 . HN parsed_2l91 1
6 1 1 . . . . . . . . . 12 . HN parsed_2l91 1
6 1 2 . . . . . . . . . 13 . HN parsed_2l91 1
7 1 1 . . . . . . . . . 14 . HN parsed_2l91 1
7 1 2 . . . . . . . . . 11 . HN parsed_2l91 1
8 1 1 . . . . . . . . . 15 . HN parsed_2l91 1
8 1 2 . . . . . . . . . 16 . HN parsed_2l91 1
9 1 1 . . . . . . . . . 15 . HN parsed_2l91 1
9 1 2 . . . . . . . . . 14 . HN parsed_2l91 1
10 1 1 . . . . . . . . . 16 . HN parsed_2l91 1
10 1 2 . . . . . . . . . 14 . HN parsed_2l91 1
11 1 1 . . . . . . . . . 16 . HN parsed_2l91 1
11 1 2 . . . . . . . . . 18 . HN parsed_2l91 1
12 1 1 . . . . . . . . . 16 . HN parsed_2l91 1
12 1 2 . . . . . . . . . 17 . HN parsed_2l91 1
13 1 1 . . . . . . . . . 17 . HN parsed_2l91 1
13 1 2 . . . . . . . . . 18 . HN parsed_2l91 1
14 1 1 . . . . . . . . . 19 . HN parsed_2l91 1
14 1 2 . . . . . . . . . 18 . HN parsed_2l91 1
15 1 1 . . . . . . . . . 20 . HN parsed_2l91 1
15 1 2 . . . . . . . . . 18 . HN parsed_2l91 1
16 1 1 . . . . . . . . . 20 . HN parsed_2l91 1
16 1 2 . . . . . . . . . 19 . HN parsed_2l91 1
17 1 1 . . . . . . . . . 21 . HN parsed_2l91 1
17 1 2 . . . . . . . . . 18 . HN parsed_2l91 1
18 1 1 . . . . . . . . . 24 . HN parsed_2l91 1
18 1 2 . . . . . . . . . 26 . HN parsed_2l91 1
19 1 1 . . . . . . . . . 25 . HN parsed_2l91 1
19 1 2 . . . . . . . . . 28 . HN parsed_2l91 1
20 1 1 . . . . . . . . . 26 . HN parsed_2l91 1
20 1 2 . . . . . . . . . 25 . HN parsed_2l91 1
21 1 1 . . . . . . . . . 26 . HN parsed_2l91 1
21 1 2 . . . . . . . . . 28 . HN parsed_2l91 1
22 1 1 . . . . . . . . . 29 . HN parsed_2l91 1
22 1 2 . . . . . . . . . 28 . HN parsed_2l91 1
23 1 1 . . . . . . . . . 30 . HN parsed_2l91 1
23 1 2 . . . . . . . . . 29 . HN parsed_2l91 1
24 1 1 . . . . . . . . . 30 . HN parsed_2l91 1
24 1 2 . . . . . . . . . 28 . HN parsed_2l91 1
25 1 1 . . . . . . . . . 31 . HN parsed_2l91 1
25 1 2 . . . . . . . . . 30 . HN parsed_2l91 1
26 1 1 . . . . . . . . . 31 . HN parsed_2l91 1
26 1 2 . . . . . . . . . 28 . HN parsed_2l91 1
27 1 1 . . . . . . . . . 32 . HN parsed_2l91 1
27 1 2 . . . . . . . . . 31 . HN parsed_2l91 1
28 1 1 . . . . . . . . . 32 . HN parsed_2l91 1
28 1 2 . . . . . . . . . 28 . HN parsed_2l91 1
29 1 1 . . . . . . . . . 33 . HN parsed_2l91 1
29 1 2 . . . . . . . . . 37 . HN parsed_2l91 1
30 1 1 . . . . . . . . . 33 . HN parsed_2l91 1
30 1 2 . . . . . . . . . 36 . HN parsed_2l91 1
31 1 1 . . . . . . . . . 33 . HN parsed_2l91 1
31 1 2 . . . . . . . . . 34 . HN parsed_2l91 1
32 1 1 . . . . . . . . . 34 . HN parsed_2l91 1
32 1 2 . . . . . . . . . 37 . HN parsed_2l91 1
33 1 1 . . . . . . . . . 35 . HN parsed_2l91 1
33 1 2 . . . . . . . . . 37 . HN parsed_2l91 1
34 1 1 . . . . . . . . . 35 . HN parsed_2l91 1
34 1 2 . . . . . . . . . 34 . HN parsed_2l91 1
35 1 1 . . . . . . . . . 35 . HN parsed_2l91 1
35 1 2 . . . . . . . . . 36 . HN parsed_2l91 1
36 1 1 . . . . . . . . . 36 . HN parsed_2l91 1
36 1 2 . . . . . . . . . 34 . HN parsed_2l91 1
37 1 1 . . . . . . . . . 36 . HN parsed_2l91 1
37 1 2 . . . . . . . . . 37 . HN parsed_2l91 1
38 1 1 . . . . . . . . . 36 . HN parsed_2l91 1
38 1 2 . . . . . . . . . 32 . HN parsed_2l91 1
39 1 1 . . . . . . . . . 38 . HN parsed_2l91 1
39 1 2 . . . . . . . . . 37 . HN parsed_2l91 1
40 1 1 . . . . . . . . . 38 . HN parsed_2l91 1
40 1 2 . . . . . . . . . 36 . HN parsed_2l91 1
41 1 1 . . . . . . . . . 14 . HN parsed_2l91 1
41 1 2 . . . . . . . . . 15 . HG parsed_2l91 1
42 1 1 . . . . . . . . . 16 . HN parsed_2l91 1
42 1 2 . . . . . . . . . 15 . HG parsed_2l91 1
43 1 1 . . . . . . . . . 17 . HN parsed_2l91 1
43 1 2 . . . . . . . . . 15 . HG parsed_2l91 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 . . . . . 3.0 1.8 3.5 parsed_2l91 1
2 1 . . . . . 4.0 1.8 5.0 parsed_2l91 1
3 1 . . . . . 2.5 1.8 2.9 parsed_2l91 1
4 1 . . . . . 2.5 1.8 2.9 parsed_2l91 1
5 1 . . . . . 3.0 1.8 3.5 parsed_2l91 1
6 1 . . . . . 2.5 1.8 2.9 parsed_2l91 1
7 1 . . . . . 4.0 1.8 5.0 parsed_2l91 1
8 1 . . . . . 3.0 1.8 3.5 parsed_2l91 1
9 1 . . . . . 2.5 1.8 2.9 parsed_2l91 1
10 1 . . . . . 3.0 1.8 3.5 parsed_2l91 1
11 1 . . . . . 3.0 1.8 3.5 parsed_2l91 1
12 1 . . . . . 2.5 1.8 2.9 parsed_2l91 1
13 1 . . . . . 2.5 1.8 2.9 parsed_2l91 1
14 1 . . . . . 3.0 1.8 3.5 parsed_2l91 1
15 1 . . . . . 4.0 1.8 5.0 parsed_2l91 1
16 1 . . . . . 2.5 1.8 2.9 parsed_2l91 1
17 1 . . . . . 4.0 1.8 5.0 parsed_2l91 1
18 1 . . . . . 3.0 1.8 3.5 parsed_2l91 1
19 1 . . . . . 4.0 1.8 5.0 parsed_2l91 1
20 1 . . . . . 2.5 1.8 2.9 parsed_2l91 1
21 1 . . . . . 4.0 1.8 6.0 parsed_2l91 1
22 1 . . . . . 3.0 1.8 3.5 parsed_2l91 1
23 1 . . . . . 2.5 1.8 2.9 parsed_2l91 1
24 1 . . . . . 4.0 1.8 5.0 parsed_2l91 1
25 1 . . . . . 2.5 1.8 2.9 parsed_2l91 1
26 1 . . . . . 4.0 1.8 5.0 parsed_2l91 1
27 1 . . . . . 2.5 1.8 2.9 parsed_2l91 1
28 1 . . . . . 4.0 1.8 5.0 parsed_2l91 1
29 1 . . . . . 4.0 1.8 5.0 parsed_2l91 1
30 1 . . . . . 4.0 1.8 5.0 parsed_2l91 1
31 1 . . . . . 2.5 1.8 2.9 parsed_2l91 1
32 1 . . . . . 4.0 1.8 5.0 parsed_2l91 1
33 1 . . . . . 3.0 1.8 3.5 parsed_2l91 1
34 1 . . . . . 2.5 1.8 2.9 parsed_2l91 1
35 1 . . . . . 2.5 1.8 2.9 parsed_2l91 1
36 1 . . . . . 4.0 1.8 5.0 parsed_2l91 1
37 1 . . . . . 2.5 1.8 2.9 parsed_2l91 1
38 1 . . . . . 4.0 1.8 5.0 parsed_2l91 1
39 1 . . . . . 2.5 1.8 2.9 parsed_2l91 1
40 1 . . . . . 4.0 1.8 5.0 parsed_2l91 1
41 1 . . . . . 3.0 1.8 3.5 parsed_2l91 1
42 1 . . . . . 2.5 1.8 2.9 parsed_2l91 1
43 1 . . . . . 4.0 1.8 5.0 parsed_2l91 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 "HN-HN, HN-HE1 TRP NOEs" 1 1 1 25 parsed_2l91 1
2 "I 1 3.3" 3 78 3 87 parsed_2l91 1
3 "I 1 3.9" 4 78 4 87 parsed_2l91 1
4 "L 1 2.6" 5 78 5 87 parsed_2l91 1
5 "V 1 2.9" 6 78 6 87 parsed_2l91 1
6 "V 1 3.4" 7 78 7 87 parsed_2l91 1
7 "V 1 2.9" 8 78 8 87 parsed_2l91 1
8 "L 1 3.6" 9 78 9 87 parsed_2l91 1
9 "S 1 3.0" 10 78 10 87 parsed_2l91 1
10 "S 1 2.8" 11 78 11 87 parsed_2l91 1
11 "V 1 3.2" 12 78 12 87 parsed_2l91 1
12 "V 1 3.3" 13 78 13 87 parsed_2l91 1
13 "V 1 1.9" 14 78 14 87 parsed_2l91 1
14 "M 1 2.9" 15 78 15 87 parsed_2l91 1
15 "A 1 2.9" 16 78 16 87 parsed_2l91 1
16 "I 1 3.8" 17 78 17 87 parsed_2l91 1
17 "I 1 2.3" 18 78 18 87 parsed_2l91 1
18 "L 1 4.7" 19 78 19 87 parsed_2l91 1
19 "G 1 3.0" 20 78 20 87 parsed_2l91 1
20 "L 1 5.0" 21 78 21 87 parsed_2l91 1
21 "A 1 2.6" 22 78 22 87 parsed_2l91 1
22 "A 1 5.5" 23 78 23 87 parsed_2l91 1
23 "L 1 3.1" 24 78 24 87 parsed_2l91 1
24 "I 1 2.7" 25 78 25 87 parsed_2l91 1
25 "I 1 4.0" 26 78 26 87 parsed_2l91 1
26 "W 1 2.5" 27 78 27 87 parsed_2l91 1
27 "W 1 4.2" 28 78 28 87 parsed_2l91 1
28 "A 1 2.2" 29 78 29 87 parsed_2l91 1
29 "A 1 4.5" 30 78 30 87 parsed_2l91 1
30 "L 1 4.2" 31 78 31 87 parsed_2l91 1
31 "L 1 3.7" 32 78 32 87 parsed_2l91 1
32 "L 1 2.2" 33 78 33 87 parsed_2l91 1
33 "L 1 3.9" 34 78 34 87 parsed_2l91 1
34 "I 1 3.4" 35 78 35 87 parsed_2l91 1
35 "I 1 2.7" 36 78 36 87 parsed_2l91 1
36 "I 1 2.8" 37 78 37 87 parsed_2l91 1
37 "T 1 3.6" 38 78 38 87 parsed_2l91 1
38 "T 1 2.8" 39 78 39 87 parsed_2l91 1
39 "T 1 3.9" 40 78 40 87 parsed_2l91 1
40 "H 1 2.3" 41 78 41 87 parsed_2l91 1
41
;
H 1 3.4 modified
intraresidual (i+0): 0
sequential (i+1): 22
short-range (i+2): 15
medium-range (i+3): 8
long-range (> i+3): 3
non methyl side-chains
;
42 78 51 26 parsed_2l91 1
42 "L 1 3.1" 53 78 53 87 parsed_2l91 1
43 "V 1 2.9" 54 78 54 87 parsed_2l91 1
44
;
M 1 3.8
intraresidual (i+0): 0
sequential (i+1): 2
short-range (i+2): 1
medium-range (i+3): 0
long-range (> i+3): 0
;
55 78 61 26 parsed_2l91 1
stop_
save_
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