NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
620204 |
5t42   |
30162 | cing | 2-parsed | STAR | dihedral angle | 44 |
data_5t42_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5t42
_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_5t42 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5t42
_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 5t42 "Master copy" parsed_5t42
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5t42
_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 5t42.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5t42 1
1 5t42.mr . . XPLOR/CNS 2 distance NOE simple 394 parsed_5t42 1
1 5t42.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 44 parsed_5t42 1
1 5t42.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5t42 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_5t42
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.2 -40.6 . . 642 . C . 643 . N . 643 . CA . 643 . C parsed_5t42 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.2 -16.6 . . 643 . N . 643 . CA . 643 . C . 644 . N parsed_5t42 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.6 -48.6 . . 643 . C . 644 . N . 644 . CA . 644 . C parsed_5t42 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.0 -12.2 . . 644 . N . 644 . CA . 644 . C . 645 . N parsed_5t42 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.1 -46.1 . . 647 . C . 648 . N . 648 . CA . 648 . C parsed_5t42 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.6 -21.6 . . 648 . N . 648 . CA . 648 . C . 649 . N parsed_5t42 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.8 -45.8 . . 648 . C . 649 . N . 649 . CA . 649 . C parsed_5t42 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.2 -12.2 . . 649 . N . 649 . CA . 649 . C . 650 . N parsed_5t42 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.2 -44.6 . . 649 . C . 650 . N . 650 . CA . 650 . C parsed_5t42 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.2 18.8 . . 650 . N . 650 . CA . 650 . C . 651 . N parsed_5t42 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 45.5 103.5 . . 654 . C . 655 . N . 655 . CA . 655 . C parsed_5t42 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -1.7 50.1 . . 655 . N . 655 . CA . 655 . C . 656 . N parsed_5t42 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -113.7 -73.7 . . 655 . C . 656 . N . 656 . CA . 656 . C parsed_5t42 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.2 30.6 . . 656 . N . 656 . CA . 656 . C . 657 . N parsed_5t42 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.8 -41.8 . . 657 . C . 658 . N . 658 . CA . 658 . C parsed_5t42 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.4 -20.4 . . 658 . N . 658 . CA . 658 . C . 659 . N parsed_5t42 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.8 -41.8 . . 659 . C . 660 . N . 660 . CA . 660 . C parsed_5t42 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.9 -19.9 . . 660 . N . 660 . CA . 660 . C . 661 . N parsed_5t42 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.9 -38.5 . . 660 . C . 661 . N . 661 . CA . 661 . C parsed_5t42 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.7 -26.7 . . 661 . N . 661 . CA . 661 . C . 662 . N parsed_5t42 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.1 -42.1 . . 661 . C . 662 . N . 662 . CA . 662 . C parsed_5t42 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.2 -23.2 . . 662 . N . 662 . CA . 662 . C . 663 . N parsed_5t42 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.7 -42.7 . . 662 . C . 663 . N . 663 . CA . 663 . C parsed_5t42 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.9 -21.9 . . 663 . N . 663 . CA . 663 . C . 664 . N parsed_5t42 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.3 -41.3 . . 663 . C . 664 . N . 664 . CA . 664 . C parsed_5t42 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.5 -20.5 . . 664 . N . 664 . CA . 664 . C . 665 . N parsed_5t42 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.7 -43.7 . . 664 . C . 665 . N . 665 . CA . 665 . C parsed_5t42 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.3 -23.3 . . 665 . N . 665 . CA . 665 . C . 666 . N parsed_5t42 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.6 -44.6 . . 665 . C . 666 . N . 666 . CA . 666 . C parsed_5t42 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.8 -21.8 . . 666 . N . 666 . CA . 666 . C . 667 . N parsed_5t42 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.0 -39.0 . . 666 . C . 667 . N . 667 . CA . 667 . C parsed_5t42 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.7 -22.7 . . 667 . N . 667 . CA . 667 . C . 668 . N parsed_5t42 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.5 -44.5 . . 667 . C . 668 . N . 668 . CA . 668 . C parsed_5t42 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.6 -22.6 . . 668 . N . 668 . CA . 668 . C . 669 . N parsed_5t42 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.8 -44.8 . . 668 . C . 669 . N . 669 . CA . 669 . C parsed_5t42 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.6 -24.6 . . 669 . N . 669 . CA . 669 . C . 670 . N parsed_5t42 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.8 -40.8 . . 669 . C . 670 . N . 670 . CA . 670 . C parsed_5t42 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.0 -22.0 . . 670 . N . 670 . CA . 670 . C . 671 . N parsed_5t42 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.0 -46.0 . . 670 . C . 671 . N . 671 . CA . 671 . C parsed_5t42 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.6 -20.6 . . 671 . N . 671 . CA . 671 . C . 672 . N parsed_5t42 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.3 -43.3 . . 671 . C . 672 . N . 672 . CA . 672 . C parsed_5t42 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.5 -22.5 . . 672 . N . 672 . CA . 672 . C . 673 . N parsed_5t42 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.6 -44.8 . . 672 . C . 673 . N . 673 . CA . 673 . C parsed_5t42 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.1 -18.1 . . 673 . N . 673 . CA . 673 . C . 674 . N parsed_5t42 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: EbovTM_dihed.tbl" 1 1 1 37 parsed_5t42 1
stop_
save_
Contact the webmaster for help, if required. Thursday, May 23, 2024 10:23:28 AM GMT (wattos1)