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 |
|
|
487814 |
2rqz   |
11006 | cing | 2-parsed | STAR | dihedral angle | 39 |
data_2rqz_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2rqz
_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_2rqz 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2rqz
_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 2rqz "Master copy" parsed_2rqz
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2rqz
_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 2rqz.mr . . "MR format" 1 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2rqz 1
1 2rqz.mr . . XPLOR/CNS 2 distance NOE simple 518 parsed_2rqz 1
1 2rqz.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 39 parsed_2rqz 1
1 2rqz.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2rqz 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2rqz
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -50.0 . B 1 . C2 B 1 . C3 B 1 . C4 B 1 . C5 parsed_2rqz 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -50.0 . B 1 . C4 B 1 . C5 B 1 . O5 B 1 . C1 parsed_2rqz 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50.0 70.0 . B 1 . C1 B 1 . C2 B 1 . C3 B 1 . C4 parsed_2rqz 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50.0 70.0 . B 1 . C3 B 1 . C4 B 1 . C5 B 1 . O5 parsed_2rqz 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50.0 70.0 . B 1 . C5 B 1 . O5 B 1 . C1 B 1 . O2 parsed_2rqz 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -50.0 . B 1 . O5 B 1 . C1 B 1 . C2 B 1 . C3 parsed_2rqz 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 190.0 . B 1 . H5 B 1 . C5 B 1 . C4 B 1 . O4 parsed_2rqz 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 190.0 . B 1 . H3 B 1 . C3 B 1 . C4 B 1 . O4 parsed_2rqz 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50.0 70.0 . B 1 . H2 B 1 . C2 B 1 . C1 B 1 . O5 parsed_2rqz 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50.0 70.0 . B 2 . C2 B 2 . C3 B 2 . C4 B 2 . C5 parsed_2rqz 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50.0 70.0 . B 2 . C4 B 2 . C5 B 2 . O5 B 2 . C1 parsed_2rqz 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -50.0 . B 2 . C1 B 2 . C2 B 2 . C3 B 2 . C4 parsed_2rqz 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -50.0 . B 2 . C3 B 2 . C4 B 2 . C5 B 2 . O5 parsed_2rqz 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -50.0 . B 2 . C5 B 2 . O5 B 2 . C1 B 2 . C2 parsed_2rqz 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50.0 70.0 . B 2 . O5 B 2 . C1 B 2 . C2 B 2 . C3 parsed_2rqz 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 190.0 . B 2 . HN2 B 2 . N2 B 2 . C7 B 2 . O7 parsed_2rqz 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 190.0 . B 2 . C2 B 2 . N2 B 2 . C7 B 2 . C8 parsed_2rqz 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 270.0 . B 2 . HN2 B 2 . N2 B 2 . C2 B 2 . H2 parsed_2rqz 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . A 5 . C A 6 . N A 6 . CA A 6 . C parsed_2rqz 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . A 6 . C A 7 . N A 7 . CA A 7 . C parsed_2rqz 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . A 11 . C A 12 . N A 12 . CA A 12 . C parsed_2rqz 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . A 18 . C A 19 . N A 19 . CA A 19 . C parsed_2rqz 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . A 22 . C A 23 . N A 23 . CA A 23 . C parsed_2rqz 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . A 23 . C A 24 . N A 24 . CA A 24 . C parsed_2rqz 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . A 24 . C A 25 . N A 25 . CA A 25 . C parsed_2rqz 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . A 30 . C A 31 . N A 31 . CA A 31 . C parsed_2rqz 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . A 34 . C A 35 . N A 35 . CA A 35 . C parsed_2rqz 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . A 37 . C A 38 . N A 38 . CA A 38 . C parsed_2rqz 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . A 4 . C A 5 . N A 5 . CA A 5 . C parsed_2rqz 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . A 3 . C A 4 . N A 4 . CA A 4 . C parsed_2rqz 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . A 25 . C A 26 . N A 26 . CA A 26 . C parsed_2rqz 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . A 14 . C A 15 . N A 15 . CA A 15 . C parsed_2rqz 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . A 15 . C A 16 . N A 16 . CA A 16 . C parsed_2rqz 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . A 19 . C A 20 . N A 20 . CA A 20 . C parsed_2rqz 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . A 33 . C A 34 . N A 34 . CA A 34 . C parsed_2rqz 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . A 21 . C A 22 . N A 22 . CA A 22 . C parsed_2rqz 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . A 10 . C A 11 . N A 11 . CA A 11 . C parsed_2rqz 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . A 13 . C A 14 . N A 14 . CA A 14 . C parsed_2rqz 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . A 31 . C A 32 . N A 32 . CA A 32 . C parsed_2rqz 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
;
B-CHAIN ; FUC NAG
39 FUC (B1)
;
1 1 4 14 parsed_2rqz 1
2 "40 NAG (B2)" 24 1 24 14 parsed_2rqz 1
3
;
A-CHAIN (38AA)
!! PHI angle(C'-N-CA-C)
;
44 1 47 25 parsed_2rqz 1
stop_
save_
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