NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
52175 |
2ke3   |
cing | 2-parsed | STAR | dihedral angle | 38 |
data_2ke3_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2ke3
_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_2ke3 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2ke3
_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 2ke3 "Master copy" parsed_2ke3
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2ke3
_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 2ke3.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2ke3 1
1 2ke3.mr . . XPLOR/CNS 2 distance NOE simple 270 parsed_2ke3 1
1 2ke3.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 38 parsed_2ke3 1
1 2ke3.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2ke3 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2ke3
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.810 -42.810 . . 721 . C . 722 . N . 722 . CA . 722 . C parsed_2ke3 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.270 -9.270 . . 722 . N . 722 . CA . 722 . C . 723 . N parsed_2ke3 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.230 -49.230 . . 722 . C . 723 . N . 723 . CA . 723 . C parsed_2ke3 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.260 15.740 . . 723 . N . 723 . CA . 723 . C . 724 . N parsed_2ke3 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.36 -68.36 . . 723 . C . 724 . N . 724 . CA . 724 . C parsed_2ke3 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -31.31 -31.31 . . 724 . N . 724 . CA . 724 . C . 725 . N parsed_2ke3 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.57 -40.57 . . 724 . C . 725 . N . 725 . CA . 725 . C parsed_2ke3 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.03 -26.03 . . 725 . N . 725 . CA . 725 . C . 726 . N parsed_2ke3 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.40 -53.40 . . 725 . C . 726 . N . 726 . CA . 726 . C parsed_2ke3 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.96 -26.96 . . 726 . N . 726 . CA . 726 . C . 727 . N parsed_2ke3 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.56 -51.56 . . 726 . C . 727 . N . 727 . CA . 727 . C parsed_2ke3 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.98 -21.98 . . 727 . N . 727 . CA . 727 . C . 728 . N parsed_2ke3 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101.59 -56.59 . . 727 . C . 728 . N . 728 . CA . 728 . C parsed_2ke3 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.71 -9.71 . . 728 . N . 728 . CA . 728 . C . 729 . N parsed_2ke3 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.51 -50.51 . . 737 . C . 738 . N . 738 . CA . 738 . C parsed_2ke3 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.57 -29.57 . . 738 . N . 738 . CA . 738 . C . 739 . N parsed_2ke3 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.04 -54.04 . . 738 . C . 739 . N . 739 . CA . 739 . C parsed_2ke3 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.88 -26.88 . . 739 . N . 739 . CA . 739 . C . 740 . N parsed_2ke3 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.02 -53.02 . . 739 . C . 740 . N . 740 . CA . 740 . C parsed_2ke3 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.03 -30.03 . . 740 . N . 740 . CA . 740 . C . 741 . N parsed_2ke3 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.66 -55.66 . . 740 . C . 741 . N . 741 . CA . 741 . C parsed_2ke3 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.53 -31.53 . . 741 . N . 741 . CA . 741 . C . 742 . N parsed_2ke3 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.62 -51.62 . . 741 . C . 742 . N . 742 . CA . 742 . C parsed_2ke3 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.300 -29.300 . . 742 . N . 742 . CA . 742 . C . 743 . N parsed_2ke3 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.44 -56.44 . . 742 . C . 743 . N . 743 . CA . 743 . C parsed_2ke3 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.84 -26.84 . . 743 . N . 743 . CA . 743 . C . 744 . N parsed_2ke3 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.22 -55.22 . . 743 . C . 744 . N . 744 . CA . 744 . C parsed_2ke3 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.04 -33.04 . . 744 . N . 744 . CA . 744 . C . 745 . N parsed_2ke3 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.70 -50.70 . . 744 . C . 745 . N . 745 . CA . 745 . C parsed_2ke3 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.35 -34.35 . . 745 . N . 745 . CA . 745 . C . 746 . N parsed_2ke3 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.95 -55.95 . . 745 . C . 746 . N . 746 . CA . 746 . C parsed_2ke3 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.56 -27.56 . . 746 . N . 746 . CA . 746 . C . 747 . N parsed_2ke3 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.35 -55.35 . . 746 . C . 747 . N . 747 . CA . 747 . C parsed_2ke3 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.34 -34.34 . . 747 . N . 747 . CA . 747 . C . 748 . N parsed_2ke3 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.94 -53.94 . . 747 . C . 748 . N . 748 . CA . 748 . C parsed_2ke3 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.47 -24.47 . . 748 . N . 748 . CA . 748 . C . 749 . N parsed_2ke3 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.76 -61.76 . . 748 . C . 749 . N . 749 . CA . 749 . C parsed_2ke3 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -41.42 -11.42 . . 749 . N . 749 . CA . 749 . C . 750 . N parsed_2ke3 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
1 722 1 1 1 5 parsed_2ke3 1
2 723 6 1 6 5 parsed_2ke3 1
3 724 12 1 12 5 parsed_2ke3 1
4 725 18 1 18 5 parsed_2ke3 1
5 726 24 1 24 5 parsed_2ke3 1
6 727 30 1 30 5 parsed_2ke3 1
7 728 36 1 36 5 parsed_2ke3 1
8 738 42 1 42 5 parsed_2ke3 1
9 739 48 1 48 5 parsed_2ke3 1
10 740 54 1 54 5 parsed_2ke3 1
11 741 60 1 60 5 parsed_2ke3 1
12 742 66 1 66 5 parsed_2ke3 1
13 743 72 1 72 5 parsed_2ke3 1
14 744 78 1 78 5 parsed_2ke3 1
15 745 84 1 84 5 parsed_2ke3 1
16 746 90 1 90 5 parsed_2ke3 1
17 747 96 1 96 5 parsed_2ke3 1
18 748 102 1 102 5 parsed_2ke3 1
19 749 108 1 108 5 parsed_2ke3 1
stop_
save_
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