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 |
|
|
640540 |
6h7q   |
34306 | cing | 2-parsed | STAR | dihedral angle | 20 |
data_6h7q_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6h7q
_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_6h7q 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6h7q
_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 6h7q "Master copy" parsed_6h7q
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6h7q
_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 6h7q.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6h7q 1
1 6h7q.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 20 parsed_6h7q 1
1 6h7q.mr . . XPLOR/CNS 3 distance NOE ambi 0 parsed_6h7q 1
1 6h7q.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6h7q 1
stop_
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6h7q
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 2
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -108.832 -76.384 . . 1 . c . 2 . n . 2 . ca . 2 . c parsed_6h7q 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.629 158.503 . . 2 . n . 2 . ca . 2 . c . 3 . n parsed_6h7q 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -131.137 -91.333 . . 2 . c . 3 . n . 3 . ca . 3 . c parsed_6h7q 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 129.293 170.331 . . 3 . n . 3 . ca . 3 . c . 4 . n parsed_6h7q 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -112.088 -76.428 . . 3 . c . 4 . n . 4 . ca . 4 . c parsed_6h7q 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 129.920 149.556 . . 4 . n . 4 . ca . 4 . c . 5 . n parsed_6h7q 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.253 -84.181 . . 4 . c . 5 . n . 5 . ca . 5 . c parsed_6h7q 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.640 160.518 . . 5 . n . 5 . ca . 5 . c . 6 . n parsed_6h7q 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 45.873 58.369 . . 5 . c . 6 . n . 6 . ca . 6 . c parsed_6h7q 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 36.791 48.103 . . 6 . n . 6 . ca . 6 . c . 7 . n parsed_6h7q 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 64.260 94.572 . . 6 . c . 7 . n . 7 . ca . 7 . c parsed_6h7q 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -18.560 20.126 . . 7 . n . 7 . ca . 7 . c . 8 . n parsed_6h7q 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -167.927 -46.481 . . 7 . c . 8 . n . 8 . ca . 8 . c parsed_6h7q 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.731 158.069 . . 8 . n . 8 . ca . 8 . c . 9 . n parsed_6h7q 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.568 -78.940 . . 8 . c . 9 . n . 9 . ca . 9 . c parsed_6h7q 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 126.840 149.654 . . 9 . n . 9 . ca . 9 . c . 10 . n parsed_6h7q 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -128.106 -101.744 . . 9 . c . 10 . n . 10 . ca . 10 . c parsed_6h7q 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.573 150.173 . . 10 . n . 10 . ca . 10 . c . 11 . n parsed_6h7q 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -116.795 -78.905 . . 10 . c . 11 . n . 11 . ca . 11 . c parsed_6h7q 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.805 148.333 . . 11 . n . 11 . ca . 11 . c . 12 . n parsed_6h7q 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
;
Made by Talos+ using default conditions and DSS-corrected 13C chemical shifts.
W2 phi - good
;
2 1 3 16 parsed_6h7q 1
2 "W2 psi - good" 6 1 6 16 parsed_6h7q 1
3 "T3 phi - good" 9 1 9 16 parsed_6h7q 1
4 "T3 psi - good" 12 1 12 16 parsed_6h7q 1
5 "W4 phi - warn" 15 1 15 16 parsed_6h7q 1
6 "W4 psi - warn" 18 1 18 16 parsed_6h7q 1
7 "E5 phi - good" 21 1 21 16 parsed_6h7q 1
8 "E5 psi - good" 24 1 24 16 parsed_6h7q 1
9 "N6 phi - good" 27 1 27 16 parsed_6h7q 1
10 "N6 psi - good" 30 1 30 16 parsed_6h7q 1
11 "G7 phi - warn" 33 1 33 16 parsed_6h7q 1
12 "G7 psi - warn" 36 1 36 16 parsed_6h7q 1
13 "K8 phi - warn" 39 1 39 16 parsed_6h7q 1
14 "K8 psi - warn" 42 1 42 16 parsed_6h7q 1
15 "W9 phi - good" 45 1 45 16 parsed_6h7q 1
16 "W9 psi - good" 48 1 48 16 parsed_6h7q 1
17 "T10 phi - good" 51 1 51 17 parsed_6h7q 1
18 "T10 psi - good" 54 1 54 17 parsed_6h7q 1
19 "W11 phi - good" 57 1 57 17 parsed_6h7q 1
20 "W11 psi - good" 60 1 60 17 parsed_6h7q 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 1: dihe.tbl" 1 1 1 29 parsed_6h7q 1
stop_
save_
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