NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
626701 |
6bhn   |
26582 | cing | 2-parsed | STAR | dipolar coupling | 45 |
data_6bhn_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6bhn
_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_6bhn 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6bhn
_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 6bhn "Master copy" parsed_6bhn
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6bhn
_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 6bhn.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6bhn 1
1 6bhn.mr . . XPLOR/CNS 2 distance NOE simple 1296 parsed_6bhn 1
1 6bhn.mr . . XPLOR/CNS 3 "dipolar coupling" "Not applicable" "Not applicable" 45 parsed_6bhn 1
1 6bhn.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_6bhn 1
1 6bhn.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 0 parsed_6bhn 1
1 6bhn.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6bhn 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_3
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_6bhn
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 3
_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 . . . . . . . . . . . . . . . . -11.22 . . . . . 604 . N . 604 . HN parsed_6bhn 1
2 . . . . . . . . . . . . . . . . -6.38 . . . . . 605 . N . 605 . HN parsed_6bhn 1
3 . . . . . . . . . . . . . . . . -13.12 . . . . . 606 . N . 606 . HN parsed_6bhn 1
4 . . . . . . . . . . . . . . . . -19.12 . . . . . 607 . N . 607 . HN parsed_6bhn 1
5 . . . . . . . . . . . . . . . . -11.06 . . . . . 609 . N . 609 . HN parsed_6bhn 1
6 . . . . . . . . . . . . . . . . -7.89 . . . . . 610 . N . 610 . HN parsed_6bhn 1
7 . . . . . . . . . . . . . . . . -14.19 . . . . . 611 . N . 611 . HN parsed_6bhn 1
8 . . . . . . . . . . . . . . . . -9.86 . . . . . 614 . N . 614 . HN parsed_6bhn 1
9 . . . . . . . . . . . . . . . . -7.93 . . . . . 616 . N . 616 . HN parsed_6bhn 1
10 . . . . . . . . . . . . . . . . -0.66 . . . . . 621 . N . 621 . HN parsed_6bhn 1
11 . . . . . . . . . . . . . . . . 2.68 . . . . . 622 . N . 622 . HN parsed_6bhn 1
12 . . . . . . . . . . . . . . . . -12.48 . . . . . 623 . N . 623 . HN parsed_6bhn 1
13 . . . . . . . . . . . . . . . . -15.06 . . . . . 624 . N . 624 . HN parsed_6bhn 1
14 . . . . . . . . . . . . . . . . -11.91 . . . . . 652 . N . 652 . HN parsed_6bhn 1
15 . . . . . . . . . . . . . . . . -15.76 . . . . . 654 . N . 654 . HN parsed_6bhn 1
16 . . . . . . . . . . . . . . . . -27.52 . . . . . 655 . N . 655 . HN parsed_6bhn 1
17 . . . . . . . . . . . . . . . . -3.73 . . . . . 659 . N . 659 . HN parsed_6bhn 1
18 . . . . . . . . . . . . . . . . -7.46 . . . . . 660 . N . 660 . HN parsed_6bhn 1
19 . . . . . . . . . . . . . . . . -19.6 . . . . . 661 . N . 661 . HN parsed_6bhn 1
20 . . . . . . . . . . . . . . . . 8.2 . . . . . 674 . N . 674 . HN parsed_6bhn 1
21 . . . . . . . . . . . . . . . . 10.17 . . . . . 675 . N . 675 . HN parsed_6bhn 1
22 . . . . . . . . . . . . . . . . 24.91 . . . . . 690 . N . 690 . HN parsed_6bhn 1
23 . . . . . . . . . . . . . . . . 10.01 . . . . . 691 . N . 691 . HN parsed_6bhn 1
24 . . . . . . . . . . . . . . . . 25.92 . . . . . 692 . N . 692 . HN parsed_6bhn 1
25 . . . . . . . . . . . . . . . . 4.49 . . . . . 700 . N . 700 . HN parsed_6bhn 1
26 . . . . . . . . . . . . . . . . 5.47 . . . . . 701 . N . 701 . HN parsed_6bhn 1
27 . . . . . . . . . . . . . . . . -8.04 . . . . . 713 . N . 713 . HN parsed_6bhn 1
28 . . . . . . . . . . . . . . . . -9.78 . . . . . 714 . N . 714 . HN parsed_6bhn 1
29 . . . . . . . . . . . . . . . . -5.13 . . . . . 715 . N . 715 . HN parsed_6bhn 1
30 . . . . . . . . . . . . . . . . -6.94 . . . . . 716 . N . 716 . HN parsed_6bhn 1
31 . . . . . . . . . . . . . . . . 7.84 . . . . . 717 . N . 717 . HN parsed_6bhn 1
32 . . . . . . . . . . . . . . . . 10.48 . . . . . 718 . N . 718 . HN parsed_6bhn 1
33 . . . . . . . . . . . . . . . . -11.16 . . . . . 728 . N . 728 . HN parsed_6bhn 1
34 . . . . . . . . . . . . . . . . -12.7 . . . . . 729 . N . 729 . HN parsed_6bhn 1
35 . . . . . . . . . . . . . . . . -2.4 . . . . . 730 . N . 730 . HN parsed_6bhn 1
36 . . . . . . . . . . . . . . . . -7.24 . . . . . 732 . N . 732 . HN parsed_6bhn 1
37 . . . . . . . . . . . . . . . . -21.64 . . . . . 733 . N . 733 . HN parsed_6bhn 1
38 . . . . . . . . . . . . . . . . -9.9 . . . . . 735 . N . 735 . HN parsed_6bhn 1
39 . . . . . . . . . . . . . . . . -14.59 . . . . . 736 . N . 736 . HN parsed_6bhn 1
40 . . . . . . . . . . . . . . . . -9.98 . . . . . 738 . N . 738 . HN parsed_6bhn 1
41 . . . . . . . . . . . . . . . . -8.87 . . . . . 741 . N . 741 . HN parsed_6bhn 1
42 . . . . . . . . . . . . . . . . -8.39 . . . . . 742 . N . 742 . HN parsed_6bhn 1
43 . . . . . . . . . . . . . . . . -8.32 . . . . . 743 . N . 743 . HN parsed_6bhn 1
44 . . . . . . . . . . . . . . . . -8.16 . . . . . 746 . N . 746 . HN parsed_6bhn 1
45 . . . . . . . . . . . . . . . . -13.8 . . . . . 747 . N . 747 . HN parsed_6bhn 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 a2 2 1 2 4 parsed_6bhn 1
2 "assign ( resid 400 and name OO ) ( resid 400 and name Z ) ( resid 400 and name X ) ( resid 400 and name Y ) ( resid 608 and name N ) ( resid 608 and name HN ) -14.98 0.2" 7 1 7 186 parsed_6bhn 1
3 "assign ( resid 400 and name OO ) ( resid 400 and name Z ) ( resid 400 and name X ) ( resid 400 and name Y ) ( resid 613 and name N ) ( resid 613 and name HN ) -11.06 0.2" 11 1 11 186 parsed_6bhn 1
4 b1 14 1 14 4 parsed_6bhn 1
5 b3 19 1 19 4 parsed_6bhn 1
6 a3 23 1 23 4 parsed_6bhn 1
7 b4 27 1 27 4 parsed_6bhn 1
8 a4 30 1 30 4 parsed_6bhn 1
9 b5 34 1 34 4 parsed_6bhn 1
10 b6 37 1 37 4 parsed_6bhn 1
11 a5 44 1 44 4 parsed_6bhn 1
12 "assign ( resid 400 and name OO ) ( resid 400 and name Z ) ( resid 400 and name X ) ( resid 400 and name Y ) ( resid 731 and name N ) ( resid 731 and name HN ) -9.75 0.2" 48 1 48 185 parsed_6bhn 1
13 "assign ( resid 400 and name OO ) ( resid 400 and name Z ) ( resid 400 and name X ) ( resid 400 and name Y ) ( resid 734 and name N ) ( resid 734 and name HN ) -13.88 0.2" 51 1 51 186 parsed_6bhn 1
14 "assign ( resid 400 and name OO ) ( resid 400 and name Z ) ( resid 400 and name X ) ( resid 400 and name Y ) ( resid 737 and name N ) ( resid 737 and name HN ) -22.83 0.2" 54 1 54 186 parsed_6bhn 1
15
;
assign ( resid 400 and name OO ) ( resid 400 and name Z ) ( resid 400 and name X ) ( resid 400 and name Y ) ( resid 744 and name N ) ( resid 744 and name HN ) -14.76 0.2
assign ( resid 400 and name OO ) ( resid 400 and name Z ) ( resid 400 and name X ) ( resid 400 and name Y ) ( resid 745 and name N ) ( resid 745 and name HN ) -2.34 0.2
;
59 1 60 185 parsed_6bhn 1
16
;
assign ( resid 400 and name OO ) ( resid 400 and name Z ) ( resid 400 and name X ) ( resid 400 and name Y ) ( resid 748 and name N ) ( resid 748 and name HN ) 0.8 0.2
assign ( resid 400 and name OO ) ( resid 400 and name Z ) ( resid 400 and name X ) ( resid 400 and name Y ) ( resid 749 and name N ) ( resid 749 and name HN ) 0.79 0.2
assign ( resid 400 and name OO ) ( resid 400 and name Z ) ( resid 400 and name X ) ( resid 400 and name Y ) ( resid 751 and name N ) ( resid 751 and name HN ) -1.69 0.2
assign ( resid 400 and name OO ) ( resid 400 and name Z ) ( resid 400 and name X ) ( resid 400 and name Y ) ( resid 752 and name N ) ( resid 752 and name HN ) 1.72 0.2
assign ( resid 400 and name OO ) ( resid 400 and name Z ) ( resid 400 and name X ) ( resid 400 and name Y ) ( resid 753 and name N ) ( resid 753 and name HN ) -1.46 0.2
assign ( resid 400 and name OO ) ( resid 400 and name Z ) ( resid 400 and name X ) ( resid 400 and name Y ) ( resid 754 and name N ) ( resid 754 and name HN ) -2.17 0.2
assign ( resid 400 and name OO ) ( resid 400 and name Z ) ( resid 400 and name X ) ( resid 400 and name Y ) ( resid 755 and name N ) ( resid 755 and name HN ) -1.64 0.2
assign ( resid 400 and name OO ) ( resid 400 and name Z ) ( resid 400 and name X ) ( resid 400 and name Y ) ( resid 756 and name N ) ( resid 756 and name HN ) 1.06 0.2
assign ( resid 400 and name OO ) ( resid 400 and name Z ) ( resid 400 and name X ) ( resid 400 and name Y ) ( resid 757 and name N ) ( resid 757 and name HN ) -0.67 0.2
assign ( resid 400 and name OO ) ( resid 400 and name Z ) ( resid 400 and name X ) ( resid 400 and name Y ) ( resid 758 and name N ) ( resid 758 and name HN ) -4.77 0.2
assign ( resid 400 and name OO ) ( resid 400 and name Z ) ( resid 400 and name X ) ( resid 400 and name Y ) ( resid 759 and name N ) ( resid 759 and name HN ) -0.48 0.2
assign ( resid 400 and name OO ) ( resid 400 and name Z ) ( resid 400 and name X ) ( resid 400 and name Y ) ( resid 760 and name N ) ( resid 760 and name HN ) 1.09 0.2
assign ( resid 400 and name OO ) ( resid 400 and name Z ) ( resid 400 and name X ) ( resid 400 and name Y ) ( resid 762 and name N ) ( resid 762 and name HN ) 2.05 0.2
;
63 1 75 184 parsed_6bhn 1
stop_
loop_
_RDC_constraint_parse_err.ID
_RDC_constraint_parse_err.Content
_RDC_constraint_parse_err.Begin_line
_RDC_constraint_parse_err.Begin_column
_RDC_constraint_parse_err.End_line
_RDC_constraint_parse_err.End_column
_RDC_constraint_parse_err.Entry_ID
_RDC_constraint_parse_err.RDC_constraint_list_ID
1 "# Restraints file 2: RDC.tbl" 1 1 1 28 parsed_6bhn 1
stop_
save_
Contact the webmaster for help, if required. Friday, May 3, 2024 12:20:19 PM GMT (wattos1)