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 |
|
|
567183 |
2me3   |
19514 | cing | 2-parsed | STAR | dihedral angle | 47 |
data_2me3_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2me3
_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_2me3 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2me3
_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 2me3 "Master copy" parsed_2me3
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2me3
_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 2me3.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2me3 1
1 2me3.mr . . XPLOR/CNS 2 distance NOE simple 382 parsed_2me3 1
1 2me3.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 47 parsed_2me3 1
1 2me3.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2me3 1
1 2me3.mr . . XPLOR/CNS 5 unknown "Not applicable" "Not applicable" 0 parsed_2me3 1
1 2me3.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2me3 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2me3
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.0 -59.0 . . 658 . C . 659 . N . 659 . CA . 659 . C parsed_2me3 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.5 -54.5 . . 659 . C . 660 . N . 660 . CA . 660 . C parsed_2me3 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.0 3.0 . . 660 . N . 660 . CA . 660 . C . 661 . N parsed_2me3 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.3 -64.3 . . 660 . C . 661 . N . 661 . CA . 661 . C parsed_2me3 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -34.9 25.1 . . 661 . N . 661 . CA . 661 . C . 662 . N parsed_2me3 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101.9 -61.9 . . 661 . C . 662 . N . 662 . CA . 662 . C parsed_2me3 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 93.2 153.2 . . 662 . N . 662 . CA . 662 . C . 663 . N parsed_2me3 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.4 -56.4 . . 662 . C . 663 . N . 663 . CA . 663 . C parsed_2me3 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.9 -10.1 . . 663 . N . 663 . CA . 663 . C . 664 . N parsed_2me3 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.3 -46.3 . . 663 . C . 664 . N . 664 . CA . 664 . C parsed_2me3 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.2 -5.2 . . 664 . N . 664 . CA . 664 . C . 665 . N parsed_2me3 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.3 -53.3 . . 664 . C . 665 . N . 665 . CA . 665 . C parsed_2me3 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.2 -18.4 . . 665 . N . 665 . CA . 665 . C . 666 . N parsed_2me3 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.9 -52.9 . . 665 . C . 666 . N . 666 . CA . 666 . C parsed_2me3 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.2 -25.2 . . 666 . N . 666 . CA . 666 . C . 667 . N parsed_2me3 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.0 -42.0 . . 666 . C . 667 . N . 667 . CA . 667 . C parsed_2me3 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.1 -20.1 . . 667 . N . 667 . CA . 667 . C . 668 . N parsed_2me3 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.2 -52.2 . . 667 . C . 668 . N . 668 . CA . 668 . C parsed_2me3 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.3 -19.3 . . 668 . N . 668 . CA . 668 . C . 669 . N parsed_2me3 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.5 -46.5 . . 668 . C . 669 . N . 669 . CA . 669 . C parsed_2me3 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.9 -18.1 . . 669 . N . 669 . CA . 669 . C . 670 . N parsed_2me3 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.4 -51.4 . . 669 . C . 670 . N . 670 . CA . 670 . C parsed_2me3 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.7 0.9 . . 670 . N . 670 . CA . 670 . C . 671 . N parsed_2me3 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.1 -52.1 . . 670 . C . 671 . N . 671 . CA . 671 . C parsed_2me3 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.2 -18.2 . . 671 . N . 671 . CA . 671 . C . 672 . N parsed_2me3 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.1 -52.1 . . 671 . C . 672 . N . 672 . CA . 672 . C parsed_2me3 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.1 -10.1 . . 672 . N . 672 . CA . 672 . C . 673 . N parsed_2me3 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.2 -39.2 . . 672 . C . 673 . N . 673 . CA . 673 . C parsed_2me3 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 220.0 . . 673 . N . 673 . CA . 673 . C . 674 . N parsed_2me3 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -108.6 -48.6 . . 673 . C . 674 . N . 674 . CA . 674 . C parsed_2me3 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 45.0 195.0 . . 674 . N . 674 . CA . 674 . C . 675 . N parsed_2me3 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.8 -44.8 . . 674 . C . 675 . N . 675 . CA . 675 . C parsed_2me3 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.8 -21.8 . . 675 . N . 675 . CA . 675 . C . 676 . N parsed_2me3 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.7 -46.7 . . 675 . C . 676 . N . 676 . CA . 676 . C parsed_2me3 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.2 -18.4 . . 676 . N . 676 . CA . 676 . C . 677 . N parsed_2me3 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.4 -55.4 . . 676 . C . 677 . N . 677 . CA . 677 . C parsed_2me3 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.5 -6.3 . . 677 . N . 677 . CA . 677 . C . 678 . N parsed_2me3 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.8 -56.8 . . 677 . C . 678 . N . 678 . CA . 678 . C parsed_2me3 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.7 -18.7 . . 678 . N . 678 . CA . 678 . C . 679 . N parsed_2me3 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.3 -44.3 . . 678 . C . 679 . N . 679 . CA . 679 . C parsed_2me3 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.0 -11.8 . . 679 . N . 679 . CA . 679 . C . 680 . N parsed_2me3 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.5 -45.5 . . 679 . C . 680 . N . 680 . CA . 680 . C parsed_2me3 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.6 -9.4 . . 680 . N . 680 . CA . 680 . C . 681 . N parsed_2me3 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.5 -59.5 . . 680 . C . 681 . N . 681 . CA . 681 . C parsed_2me3 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.1 -7.9 . . 681 . N . 681 . CA . 681 . C . 682 . N parsed_2me3 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -121.7 -81.7 . . 681 . C . 682 . N . 682 . CA . 682 . C parsed_2me3 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109.0 -69.0 . . 682 . C . 683 . N . 683 . CA . 683 . C parsed_2me3 1
stop_
save_
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