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 |
|
|
53831 |
2rq5   |
cing | 2-parsed | STAR | dipolar coupling | 60 |
data_2rq5_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2rq5
_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_2rq5 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2rq5
_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 2rq5 "Master copy" parsed_2rq5
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2rq5
_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 2rq5.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2rq5 1
1 2rq5.mr . . XPLOR/CNS 2 distance NOE simple 1797 parsed_2rq5 1
1 2rq5.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 92 parsed_2rq5 1
1 2rq5.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 166 parsed_2rq5 1
1 2rq5.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 60 parsed_2rq5 1
1 2rq5.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2rq5 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_5
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2rq5
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 5
_RDC_constraint_list.Details "Generated by Wattos"
loop_
_RDC_constraint.ID
_RDC_constraint.Assembly_atom_ID_1
_RDC_constraint.Entity_assembly_ID_1
_RDC_constraint.Entity_ID_1
_RDC_constraint.Comp_index_ID_1
_RDC_constraint.Seq_ID_1
_RDC_constraint.Comp_ID_1
_RDC_constraint.Atom_ID_1
_RDC_constraint.Resonance_ID_1
_RDC_constraint.Assembly_atom_ID_2
_RDC_constraint.Entity_assembly_ID_2
_RDC_constraint.Entity_ID_2
_RDC_constraint.Comp_index_ID_2
_RDC_constraint.Seq_ID_2
_RDC_constraint.Comp_ID_2
_RDC_constraint.Atom_ID_2
_RDC_constraint.Resonance_ID_2
_RDC_constraint.RDC_val
_RDC_constraint.RDC_lower_bound
_RDC_constraint.RDC_upper_bound
_RDC_constraint.RDC_val_err
_RDC_constraint.Source_experiment_ID
_RDC_constraint.Auth_asym_ID_1
_RDC_constraint.Auth_seq_ID_1
_RDC_constraint.Auth_comp_ID_1
_RDC_constraint.Auth_atom_ID_1
_RDC_constraint.Auth_asym_ID_2
_RDC_constraint.Auth_seq_ID_2
_RDC_constraint.Auth_comp_ID_2
_RDC_constraint.Auth_atom_ID_2
_RDC_constraint.Entry_ID
_RDC_constraint.RDC_constraint_list_ID
1 . . . . . . . . . . . . . . . . 10.02 . . . . . 623 . N . 623 . HN parsed_2rq5 1
2 . . . . . . . . . . . . . . . . 16.45 . . . . . 630 . N . 630 . HN parsed_2rq5 1
3 . . . . . . . . . . . . . . . . 25.03 . . . . . 632 . N . 632 . HN parsed_2rq5 1
4 . . . . . . . . . . . . . . . . 19.76 . . . . . 633 . N . 633 . HN parsed_2rq5 1
5 . . . . . . . . . . . . . . . . 21.63 . . . . . 635 . N . 635 . HN parsed_2rq5 1
6 . . . . . . . . . . . . . . . . -8.72 . . . . . 637 . N . 637 . HN parsed_2rq5 1
7 . . . . . . . . . . . . . . . . -4.39 . . . . . 638 . N . 638 . HN parsed_2rq5 1
8 . . . . . . . . . . . . . . . . 4.75 . . . . . 646 . N . 646 . HN parsed_2rq5 1
9 . . . . . . . . . . . . . . . . 12.96 . . . . . 647 . N . 647 . HN parsed_2rq5 1
10 . . . . . . . . . . . . . . . . 16.64 . . . . . 648 . N . 648 . HN parsed_2rq5 1
11 . . . . . . . . . . . . . . . . -12.62 . . . . . 649 . N . 649 . HN parsed_2rq5 1
12 . . . . . . . . . . . . . . . . 3.29 . . . . . 650 . N . 650 . HN parsed_2rq5 1
13 . . . . . . . . . . . . . . . . 18.79 . . . . . 651 . N . 651 . HN parsed_2rq5 1
14 . . . . . . . . . . . . . . . . 10.44 . . . . . 652 . N . 652 . HN parsed_2rq5 1
15 . . . . . . . . . . . . . . . . -4.15 . . . . . 653 . N . 653 . HN parsed_2rq5 1
16 . . . . . . . . . . . . . . . . -7.39 . . . . . 655 . N . 655 . HN parsed_2rq5 1
17 . . . . . . . . . . . . . . . . -14.15 . . . . . 657 . N . 657 . HN parsed_2rq5 1
18 . . . . . . . . . . . . . . . . -6.72 . . . . . 659 . N . 659 . HN parsed_2rq5 1
19 . . . . . . . . . . . . . . . . -4.21 . . . . . 660 . N . 660 . HN parsed_2rq5 1
20 . . . . . . . . . . . . . . . . -14.37 . . . . . 661 . N . 661 . HN parsed_2rq5 1
21 . . . . . . . . . . . . . . . . -10.73 . . . . . 662 . N . 662 . HN parsed_2rq5 1
22 . . . . . . . . . . . . . . . . -3.80 . . . . . 665 . N . 665 . HN parsed_2rq5 1
23 . . . . . . . . . . . . . . . . -2.03 . . . . . 666 . N . 666 . HN parsed_2rq5 1
24 . . . . . . . . . . . . . . . . -7.79 . . . . . 667 . N . 667 . HN parsed_2rq5 1
25 . . . . . . . . . . . . . . . . -9.01 . . . . . 671 . N . 671 . HN parsed_2rq5 1
26 . . . . . . . . . . . . . . . . 9.02 . . . . . 674 . N . 674 . HN parsed_2rq5 1
27 . . . . . . . . . . . . . . . . -14.01 . . . . . 676 . N . 676 . HN parsed_2rq5 1
28 . . . . . . . . . . . . . . . . -10.53 . . . . . 677 . N . 677 . HN parsed_2rq5 1
29 . . . . . . . . . . . . . . . . -13.84 . . . . . 679 . N . 679 . HN parsed_2rq5 1
30 . . . . . . . . . . . . . . . . -16.56 . . . . . 680 . N . 680 . HN parsed_2rq5 1
31 . . . . . . . . . . . . . . . . -12.86 . . . . . 682 . N . 682 . HN parsed_2rq5 1
32 . . . . . . . . . . . . . . . . -3.98 . . . . . 683 . N . 683 . HN parsed_2rq5 1
33 . . . . . . . . . . . . . . . . 15.90 . . . . . 686 . N . 686 . HN parsed_2rq5 1
34 . . . . . . . . . . . . . . . . 3.90 . . . . . 688 . N . 688 . HN parsed_2rq5 1
35 . . . . . . . . . . . . . . . . -6.36 . . . . . 690 . N . 690 . HN parsed_2rq5 1
36 . . . . . . . . . . . . . . . . -0.19 . . . . . 691 . N . 691 . HN parsed_2rq5 1
37 . . . . . . . . . . . . . . . . -7.67 . . . . . 693 . N . 693 . HN parsed_2rq5 1
38 . . . . . . . . . . . . . . . . 3.67 . . . . . 694 . N . 694 . HN parsed_2rq5 1
39 . . . . . . . . . . . . . . . . 1.20 . . . . . 695 . N . 695 . HN parsed_2rq5 1
40 . . . . . . . . . . . . . . . . 6.05 . . . . . 698 . N . 698 . HN parsed_2rq5 1
41 . . . . . . . . . . . . . . . . -7.54 . . . . . 699 . N . 699 . HN parsed_2rq5 1
42 . . . . . . . . . . . . . . . . 1.74 . . . . . 701 . N . 701 . HN parsed_2rq5 1
43 . . . . . . . . . . . . . . . . 2.94 . . . . . 702 . N . 702 . HN parsed_2rq5 1
44 . . . . . . . . . . . . . . . . -8.02 . . . . . 704 . N . 704 . HN parsed_2rq5 1
45 . . . . . . . . . . . . . . . . -7.62 . . . . . 705 . N . 705 . HN parsed_2rq5 1
46 . . . . . . . . . . . . . . . . -6.06 . . . . . 706 . N . 706 . HN parsed_2rq5 1
47 . . . . . . . . . . . . . . . . -6.88 . . . . . 707 . N . 707 . HN parsed_2rq5 1
48 . . . . . . . . . . . . . . . . -2.04 . . . . . 709 . N . 709 . HN parsed_2rq5 1
49 . . . . . . . . . . . . . . . . 19.12 . . . . . 710 . N . 710 . HN parsed_2rq5 1
50 . . . . . . . . . . . . . . . . -9.99 . . . . . 712 . N . 712 . HN parsed_2rq5 1
51 . . . . . . . . . . . . . . . . -15.14 . . . . . 713 . N . 713 . HN parsed_2rq5 1
52 . . . . . . . . . . . . . . . . -12.70 . . . . . 714 . N . 714 . HN parsed_2rq5 1
53 . . . . . . . . . . . . . . . . -12.52 . . . . . 715 . N . 715 . HN parsed_2rq5 1
54 . . . . . . . . . . . . . . . . -13.59 . . . . . 718 . N . 718 . HN parsed_2rq5 1
55 . . . . . . . . . . . . . . . . -11.36 . . . . . 719 . N . 719 . HN parsed_2rq5 1
56 . . . . . . . . . . . . . . . . -14.51 . . . . . 720 . N . 720 . HN parsed_2rq5 1
57 . . . . . . . . . . . . . . . . -13.65 . . . . . 721 . N . 721 . HN parsed_2rq5 1
58 . . . . . . . . . . . . . . . . -11.99 . . . . . 722 . N . 722 . HN parsed_2rq5 1
59 . . . . . . . . . . . . . . . . 4.17 . . . . . 723 . N . 723 . HN parsed_2rq5 1
60 . . . . . . . . . . . . . . . . -11.23 . . . . . 724 . N . 724 . HN parsed_2rq5 1
stop_
loop_
_RDC_constraint_comment_org.ID
_RDC_constraint_comment_org.Comment_text
_RDC_constraint_comment_org.Comment_begin_line
_RDC_constraint_comment_org.Comment_begin_column
_RDC_constraint_comment_org.Comment_end_line
_RDC_constraint_comment_org.Comment_end_column
_RDC_constraint_comment_org.Entry_ID
_RDC_constraint_comment_org.RDC_constraint_list_ID
1 rdc 1 1 1 5 parsed_2rq5 1
stop_
save_
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