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 |
|
|
614429 |
5ua6   |
30217 | cing | 2-parsed | STAR | dihedral angle | 40 |
data_5ua6_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5ua6
_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_5ua6 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5ua6
_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 5ua6 "Master copy" parsed_5ua6
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5ua6
_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 5ua6.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5ua6 1
1 5ua6.mr . . XPLOR/CNS 2 distance NOE simple 492 parsed_5ua6 1
1 5ua6.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 40 parsed_5ua6 1
1 5ua6.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5ua6 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_5ua6
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.83 -47.59 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_5ua6 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.52 -53.38 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_5ua6 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.13 -51.49 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_5ua6 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.93 -57.83 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_5ua6 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.79 -53.05 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_5ua6 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.28 -50.74 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_5ua6 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.33 -38.35 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_5ua6 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.62 -57.16 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_5ua6 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.24 -50.12 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_5ua6 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.42 -54.22 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_5ua6 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.51 -58.21 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_5ua6 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.27 -51.55 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_5ua6 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -103.05 -23.05 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_5ua6 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.06 -22.06 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_5ua6 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.38 -51.60 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_5ua6 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.44 -51.42 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_5ua6 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.78 -50.70 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_5ua6 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.96 -46.42 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_5ua6 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.23 -49.25 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_5ua6 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.06 -41.32 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_5ua6 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.54 -26.70 . . 2 . N . 2 . CA . 2 . C . 3 . N parsed_5ua6 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.69 -27.91 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_5ua6 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.27 -28.19 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_5ua6 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.61 -27.43 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_5ua6 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.37 -30.13 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_5ua6 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.98 -4.98 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_5ua6 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.53 -19.93 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_5ua6 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.54 -31.92 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_5ua6 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.70 -34.74 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_5ua6 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.29 -30.75 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_5ua6 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.17 -27.57 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_5ua6 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.69 -27.63 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_5ua6 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.42 -23.42 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_5ua6 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.37 -22.21 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_5ua6 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.61 -34.25 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_5ua6 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.41 -32.77 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_5ua6 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.99 -14.59 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_5ua6 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.46 -23.10 . . 19 . N . 19 . CA . 19 . C . 20 . N parsed_5ua6 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.45 -9.59 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_5ua6 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.36 1.46 . . 21 . N . 21 . CA . 21 . C . 22 . N parsed_5ua6 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 Wed Jun 8 20:53:28 2016." 2 1 3 2 parsed_5ua6 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: AngleRestraints.tbl" 1 1 1 40 parsed_5ua6 1
stop_
save_
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