NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
614413 |
5u9s   |
30213 | cing | 2-parsed | STAR | dihedral angle | 46 |
data_5u9s_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5u9s
_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_5u9s 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5u9s
_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 5u9s "Master copy" parsed_5u9s
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5u9s
_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 5u9s.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5u9s 1
1 5u9s.mr . . XPLOR/CNS 2 distance NOE simple 592 parsed_5u9s 1
1 5u9s.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 46 parsed_5u9s 1
1 5u9s.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5u9s 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_5u9s
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 3
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.80 -41.54 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_5u9s 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.23 -48.61 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_5u9s 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.01 -49.23 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_5u9s 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.65 -46.71 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_5u9s 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.10 -55.34 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_5u9s 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.50 -49.32 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_5u9s 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.52 -50.76 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_5u9s 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.29 -48.61 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_5u9s 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.48 -51.32 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_5u9s 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.65 -50.11 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_5u9s 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.60 -43.60 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_5u9s 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.50 -57.32 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_5u9s 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.50 -47.60 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_5u9s 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.31 -50.63 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_5u9s 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.62 -53.64 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_5u9s 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.86 -57.26 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_5u9s 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.85 -55.57 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_5u9s 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.39 -42.55 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_5u9s 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.96 -56.34 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_5u9s 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.51 -58.19 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_5u9s 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.24 -51.34 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_5u9s 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.17 -47.61 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_5u9s 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.75 -47.69 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_5u9s 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.20 -29.08 . . 2 . N . 2 . CA . 2 . C . 3 . N parsed_5u9s 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.63 -22.63 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_5u9s 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.49 -23.57 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_5u9s 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.35 -28.13 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_5u9s 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.66 -18.16 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_5u9s 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.99 -31.05 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_5u9s 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.56 -25.52 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_5u9s 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.91 -30.61 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_5u9s 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.53 -32.25 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_5u9s 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.65 -25.01 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_5u9s 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.36 -1.36 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_5u9s 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.22 -31.30 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_5u9s 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.54 -20.70 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_5u9s 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.33 -31.17 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_5u9s 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.50 -32.42 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_5u9s 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.63 -30.27 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_5u9s 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.14 -13.66 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_5u9s 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.08 -7.58 . . 19 . N . 19 . CA . 19 . C . 20 . N parsed_5u9s 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.44 -31.64 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_5u9s 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.24 -35.70 . . 21 . N . 21 . CA . 21 . C . 22 . N parsed_5u9s 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.74 -28.20 . . 22 . N . 22 . CA . 22 . C . 23 . N parsed_5u9s 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.69 -23.53 . . 23 . N . 23 . CA . 23 . C . 24 . N parsed_5u9s 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.51 -30.85 . . 24 . N . 24 . CA . 24 . C . 25 . N parsed_5u9s 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1 "On my watch it's Tue Jun 21 22:43:34 2016." 2 1 3 2 parsed_5u9s 1
stop_
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1 "# Restraints file 2: AngleRestrainst.tbl" 1 1 1 40 parsed_5u9s 1
stop_
save_
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