NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
578615 |
2m5e   |
19050 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 34 |
data_2m5e_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2m5e
_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_2m5e 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2m5e
_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 2m5e "Master copy" parsed_2m5e
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2m5e
_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 2m5e.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2m5e 1
1 2m5e.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 136 parsed_2m5e 1
1 2m5e.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 38 parsed_2m5e 1
1 2m5e.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 62 parsed_2m5e 1
1 2m5e.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 34 parsed_2m5e 1
1 2m5e.mr . . XPLOR/CNS 6 distance "general distance" simple 0 parsed_2m5e 1
1 2m5e.mr . . XPLOR/CNS 7 distance NOE ambi 0 parsed_2m5e 1
1 2m5e.mr . . XPLOR/CNS 8 distance NOE ambi 0 parsed_2m5e 1
1 2m5e.mr . . XPLOR/CNS 9 distance NOE ambi 0 parsed_2m5e 1
1 2m5e.mr . . XPLOR/CNS 10 distance NOE simple 0 parsed_2m5e 1
1 2m5e.mr . . XPLOR/CNS 11 distance NOE simple 0 parsed_2m5e 1
1 2m5e.mr . . XPLOR/CNS 12 distance NOE simple 0 parsed_2m5e 1
1 2m5e.mr . . "MR format" 13 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2m5e 1
stop_
save_
save_CNS/XPLOR_distance_constraints_5
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2m5e
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 5
_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_2m5e 1
2 1 . . . parsed_2m5e 1
3 1 . . . parsed_2m5e 1
4 1 . . . parsed_2m5e 1
5 1 . . . parsed_2m5e 1
6 1 . . . parsed_2m5e 1
7 1 . . . parsed_2m5e 1
8 1 . . . parsed_2m5e 1
9 1 . . . parsed_2m5e 1
10 1 . . . parsed_2m5e 1
11 1 . . . parsed_2m5e 1
12 1 . . . parsed_2m5e 1
13 1 . . . parsed_2m5e 1
14 1 . . . parsed_2m5e 1
15 1 . . . parsed_2m5e 1
16 1 . . . parsed_2m5e 1
17 1 . . . parsed_2m5e 1
18 1 . . . parsed_2m5e 1
19 1 . . . parsed_2m5e 1
20 1 . . . parsed_2m5e 1
21 1 . . . parsed_2m5e 1
22 1 . . . parsed_2m5e 1
23 1 . . . parsed_2m5e 1
24 1 . . . parsed_2m5e 1
25 1 . . . parsed_2m5e 1
26 1 . . . parsed_2m5e 1
27 1 . . . parsed_2m5e 1
28 1 . . . parsed_2m5e 1
29 1 . . . parsed_2m5e 1
30 1 . . . parsed_2m5e 1
31 1 . . . parsed_2m5e 1
32 1 . . . parsed_2m5e 1
33 1 . . . parsed_2m5e 1
34 1 . . . parsed_2m5e 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 . . . . . . . . . 1904 . O parsed_2m5e 1
1 1 2 . . . . . . . . . 1908 . HN parsed_2m5e 1
2 1 1 . . . . . . . . . 1905 . O parsed_2m5e 1
2 1 2 . . . . . . . . . 1909 . HN parsed_2m5e 1
3 1 1 . . . . . . . . . 1910 . HN parsed_2m5e 1
3 1 2 . . . . . . . . . 1906 . O parsed_2m5e 1
4 1 1 . . . . . . . . . 1907 . O parsed_2m5e 1
4 1 2 . . . . . . . . . 1911 . HN parsed_2m5e 1
5 1 1 . . . . . . . . . 1908 . O parsed_2m5e 1
5 1 2 . . . . . . . . . 1912 . HN parsed_2m5e 1
6 1 1 . . . . . . . . . 1909 . O parsed_2m5e 1
6 1 2 . . . . . . . . . 1913 . HN parsed_2m5e 1
7 1 1 . . . . . . . . . 1910 . O parsed_2m5e 1
7 1 2 . . . . . . . . . 1914 . HN parsed_2m5e 1
8 1 1 . . . . . . . . . 1911 . O parsed_2m5e 1
8 1 2 . . . . . . . . . 1915 . HN parsed_2m5e 1
9 1 1 . . . . . . . . . 1912 . O parsed_2m5e 1
9 1 2 . . . . . . . . . 1916 . HN parsed_2m5e 1
10 1 1 . . . . . . . . . 1913 . O parsed_2m5e 1
10 1 2 . . . . . . . . . 1917 . HN parsed_2m5e 1
11 1 1 . . . . . . . . . 1914 . O parsed_2m5e 1
11 1 2 . . . . . . . . . 1918 . HN parsed_2m5e 1
12 1 1 . . . . . . . . . 1915 . O parsed_2m5e 1
12 1 2 . . . . . . . . . 1919 . HN parsed_2m5e 1
13 1 1 . . . . . . . . . 1916 . O parsed_2m5e 1
13 1 2 . . . . . . . . . 1920 . HN parsed_2m5e 1
14 1 1 . . . . . . . . . 1917 . O parsed_2m5e 1
14 1 2 . . . . . . . . . 1921 . HN parsed_2m5e 1
15 1 1 . . . . . . . . . 1922 . HN parsed_2m5e 1
15 1 2 . . . . . . . . . 1918 . O parsed_2m5e 1
16 1 1 . . . . . . . . . 1923 . HN parsed_2m5e 1
16 1 2 . . . . . . . . . 1919 . O parsed_2m5e 1
17 1 1 . . . . . . . . . 1924 . HN parsed_2m5e 1
17 1 2 . . . . . . . . . 1920 . O parsed_2m5e 1
18 1 1 . . . . . . . . . 1907 . O parsed_2m5e 1
18 1 2 . . . . . . . . . 1911 . N parsed_2m5e 1
19 1 1 . . . . . . . . . 1919 . O parsed_2m5e 1
19 1 2 . . . . . . . . . 1923 . N parsed_2m5e 1
20 1 1 . . . . . . . . . 1913 . O parsed_2m5e 1
20 1 2 . . . . . . . . . 1917 . N parsed_2m5e 1
21 1 1 . . . . . . . . . 1904 . O parsed_2m5e 1
21 1 2 . . . . . . . . . 1908 . N parsed_2m5e 1
22 1 1 . . . . . . . . . 1910 . O parsed_2m5e 1
22 1 2 . . . . . . . . . 1914 . N parsed_2m5e 1
23 1 1 . . . . . . . . . 1915 . O parsed_2m5e 1
23 1 2 . . . . . . . . . 1919 . N parsed_2m5e 1
24 1 1 . . . . . . . . . 1917 . O parsed_2m5e 1
24 1 2 . . . . . . . . . 1921 . N parsed_2m5e 1
25 1 1 . . . . . . . . . 1920 . O parsed_2m5e 1
25 1 2 . . . . . . . . . 1924 . N parsed_2m5e 1
26 1 1 . . . . . . . . . 1912 . O parsed_2m5e 1
26 1 2 . . . . . . . . . 1916 . N parsed_2m5e 1
27 1 1 . . . . . . . . . 1909 . O parsed_2m5e 1
27 1 2 . . . . . . . . . 1913 . N parsed_2m5e 1
28 1 1 . . . . . . . . . 1911 . O parsed_2m5e 1
28 1 2 . . . . . . . . . 1915 . N parsed_2m5e 1
29 1 1 . . . . . . . . . 1905 . O parsed_2m5e 1
29 1 2 . . . . . . . . . 1909 . N parsed_2m5e 1
30 1 1 . . . . . . . . . 1914 . O parsed_2m5e 1
30 1 2 . . . . . . . . . 1918 . N parsed_2m5e 1
31 1 1 . . . . . . . . . 1916 . O parsed_2m5e 1
31 1 2 . . . . . . . . . 1920 . N parsed_2m5e 1
32 1 1 . . . . . . . . . 1906 . O parsed_2m5e 1
32 1 2 . . . . . . . . . 1910 . N parsed_2m5e 1
33 1 1 . . . . . . . . . 1918 . O parsed_2m5e 1
33 1 2 . . . . . . . . . 1922 . N parsed_2m5e 1
34 1 1 . . . . . . . . . 1908 . O parsed_2m5e 1
34 1 2 . . . . . . . . . 1912 . N parsed_2m5e 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 . . . . . 2.00 0.70 3.00 parsed_2m5e 1
2 1 . . . . . 2.00 0.80 2.90 parsed_2m5e 1
3 1 . . . . . 2.00 0.80 2.90 parsed_2m5e 1
4 1 . . . . . 2.00 0.80 2.90 parsed_2m5e 1
5 1 . . . . . 2.00 0.80 2.90 parsed_2m5e 1
6 1 . . . . . 2.00 0.80 2.90 parsed_2m5e 1
7 1 . . . . . 2.00 0.80 2.90 parsed_2m5e 1
8 1 . . . . . 2.00 0.80 2.90 parsed_2m5e 1
9 1 . . . . . 2.00 0.80 2.90 parsed_2m5e 1
10 1 . . . . . 2.00 0.80 2.90 parsed_2m5e 1
11 1 . . . . . 2.00 0.80 2.90 parsed_2m5e 1
12 1 . . . . . 2.00 0.80 2.90 parsed_2m5e 1
13 1 . . . . . 2.00 0.80 2.90 parsed_2m5e 1
14 1 . . . . . 2.00 0.80 2.90 parsed_2m5e 1
15 1 . . . . . 2.00 0.80 2.90 parsed_2m5e 1
16 1 . . . . . 2.00 0.80 2.90 parsed_2m5e 1
17 1 . . . . . 2.00 0.70 3.00 parsed_2m5e 1
18 1 . . . . . 3.00 1.80 3.90 parsed_2m5e 1
19 1 . . . . . 3.00 1.80 3.90 parsed_2m5e 1
20 1 . . . . . 3.00 1.80 3.90 parsed_2m5e 1
21 1 . . . . . 3.00 1.70 4.00 parsed_2m5e 1
22 1 . . . . . 3.00 1.80 3.90 parsed_2m5e 1
23 1 . . . . . 3.00 1.80 3.90 parsed_2m5e 1
24 1 . . . . . 3.00 1.80 3.90 parsed_2m5e 1
25 1 . . . . . 3.00 1.70 4.00 parsed_2m5e 1
26 1 . . . . . 3.00 1.80 3.90 parsed_2m5e 1
27 1 . . . . . 3.00 1.80 3.90 parsed_2m5e 1
28 1 . . . . . 3.00 1.80 3.90 parsed_2m5e 1
29 1 . . . . . 3.00 1.80 3.90 parsed_2m5e 1
30 1 . . . . . 3.00 1.80 3.90 parsed_2m5e 1
31 1 . . . . . 3.00 1.80 3.90 parsed_2m5e 1
32 1 . . . . . 3.00 1.80 3.90 parsed_2m5e 1
33 1 . . . . . 3.00 1.80 3.90 parsed_2m5e 1
34 1 . . . . . 3.00 1.80 3.90 parsed_2m5e 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 "H-bond restraints for VDSC peptide" 1 1 1 37 parsed_2m5e 1
2 "restraint 3" 2 77 2 92 parsed_2m5e 1
3 "restraint 4" 3 77 3 92 parsed_2m5e 1
4 "restraint 5" 4 77 4 92 parsed_2m5e 1
5 "restraint 6" 5 77 5 92 parsed_2m5e 1
6 "restraint 7" 6 77 6 92 parsed_2m5e 1
7 "restraint 8" 7 77 7 92 parsed_2m5e 1
8 "restraint 9" 8 77 8 92 parsed_2m5e 1
9 "restraint 10" 9 77 9 92 parsed_2m5e 1
10 "restraint 11" 10 77 10 92 parsed_2m5e 1
11 "restraint 12" 11 77 11 92 parsed_2m5e 1
12 "restraint 13" 12 77 12 92 parsed_2m5e 1
13 "restraint 14" 13 77 13 92 parsed_2m5e 1
14 "restraint 15" 14 77 14 92 parsed_2m5e 1
15 "restraint 16" 15 77 15 92 parsed_2m5e 1
16 "restraint 17" 16 77 16 92 parsed_2m5e 1
17 "restraint 18" 17 77 17 92 parsed_2m5e 1
18 "restraint 19" 18 77 18 92 parsed_2m5e 1
19 "restraint 22" 19 77 19 92 parsed_2m5e 1
20 "restraint 23" 20 77 20 92 parsed_2m5e 1
21 "restraint 24" 21 77 21 92 parsed_2m5e 1
22 "restraint 25" 22 77 22 92 parsed_2m5e 1
23 "restraint 27" 23 77 23 92 parsed_2m5e 1
24 "restraint 28" 24 77 24 92 parsed_2m5e 1
25 "restraint 30" 25 77 25 92 parsed_2m5e 1
26 "restraint 31" 26 77 26 92 parsed_2m5e 1
27 "restraint 32" 27 77 27 92 parsed_2m5e 1
28 "restraint 34" 28 77 28 92 parsed_2m5e 1
29 "restraint 35" 29 77 29 92 parsed_2m5e 1
30 "restraint 36" 30 77 30 92 parsed_2m5e 1
31 "restraint 37" 31 77 31 92 parsed_2m5e 1
32 "restraint 38" 32 77 32 92 parsed_2m5e 1
33 "restraint 39" 33 77 33 92 parsed_2m5e 1
34 "restraint 41" 34 77 34 92 parsed_2m5e 1
35 "restraint 42" 35 77 35 92 parsed_2m5e 1
stop_
save_
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