NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
638222 |
6nx4   |
30569 | cing | 2-parsed | STAR | dipolar coupling | 65 |
data_6nx4_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6nx4
_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_6nx4 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6nx4
_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 6nx4 "Master copy" parsed_6nx4
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6nx4
_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 6nx4.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6nx4 1
1 6nx4.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 232 parsed_6nx4 1
1 6nx4.mr . . XPLOR/CNS 3 "dipolar coupling" "Not applicable" "Not applicable" 65 parsed_6nx4 1
1 6nx4.mr . . XPLOR/CNS 4 distance NOE ambi 0 parsed_6nx4 1
1 6nx4.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_6nx4 1
1 6nx4.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6nx4 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_3
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_6nx4
_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 . . . . . . . . . . . . . . . . 0.8060 . . . . . 599 . C . 600 . N parsed_6nx4 1
2 . . . . . . . . . . . . . . . . 1.8130 . . . . . 601 . C . 602 . N parsed_6nx4 1
3 . . . . . . . . . . . . . . . . -3.7160 . . . . . 602 . C . 603 . N parsed_6nx4 1
4 . . . . . . . . . . . . . . . . 5.7100 . . . . . 603 . C . 604 . N parsed_6nx4 1
5 . . . . . . . . . . . . . . . . -3.9560 . . . . . 604 . C . 605 . N parsed_6nx4 1
6 . . . . . . . . . . . . . . . . 4.1090 . . . . . 605 . C . 606 . N parsed_6nx4 1
7 . . . . . . . . . . . . . . . . -1.6790 . . . . . 606 . C . 607 . N parsed_6nx4 1
8 . . . . . . . . . . . . . . . . -0.1040 . . . . . 610 . C . 611 . N parsed_6nx4 1
9 . . . . . . . . . . . . . . . . 4.0430 . . . . . 611 . C . 612 . N parsed_6nx4 1
10 . . . . . . . . . . . . . . . . -0.8170 . . . . . 612 . C . 613 . N parsed_6nx4 1
11 . . . . . . . . . . . . . . . . -3.2510 . . . . . 614 . C . 615 . N parsed_6nx4 1
12 . . . . . . . . . . . . . . . . 5.8780 . . . . . 615 . C . 616 . N parsed_6nx4 1
13 . . . . . . . . . . . . . . . . -1.5460 . . . . . 616 . C . 617 . N parsed_6nx4 1
14 . . . . . . . . . . . . . . . . 3.4690 . . . . . 617 . C . 618 . N parsed_6nx4 1
15 . . . . . . . . . . . . . . . . -0.1330 . . . . . 618 . C . 619 . N parsed_6nx4 1
16 . . . . . . . . . . . . . . . . 0.6470 . . . . . 619 . C . 620 . N parsed_6nx4 1
17 . . . . . . . . . . . . . . . . 3.2980 . . . . . 620 . C . 621 . N parsed_6nx4 1
18 . . . . . . . . . . . . . . . . -2.4580 . . . . . 633 . C . 634 . N parsed_6nx4 1
19 . . . . . . . . . . . . . . . . 4.4130 . . . . . 634 . C . 635 . N parsed_6nx4 1
20 . . . . . . . . . . . . . . . . -1.7830 . . . . . 635 . C . 636 . N parsed_6nx4 1
21 . . . . . . . . . . . . . . . . 4.1250 . . . . . 636 . C . 637 . N parsed_6nx4 1
22 . . . . . . . . . . . . . . . . -4.7550 . . . . . 637 . C . 638 . N parsed_6nx4 1
23 . . . . . . . . . . . . . . . . 1.0200 . . . . . 639 . C . 640 . N parsed_6nx4 1
24 . . . . . . . . . . . . . . . . 0.0980 . . . . . 640 . C . 641 . N parsed_6nx4 1
25 . . . . . . . . . . . . . . . . 1.0170 . . . . . 641 . C . 642 . N parsed_6nx4 1
26 . . . . . . . . . . . . . . . . -0.8260 . . . . . 642 . C . 643 . N parsed_6nx4 1
27 . . . . . . . . . . . . . . . . 5.7810 . . . . . 645 . C . 646 . N parsed_6nx4 1
28 . . . . . . . . . . . . . . . . 0.2910 . . . . . 663 . C . 664 . N parsed_6nx4 1
29 . . . . . . . . . . . . . . . . 3.3960 . . . . . 664 . C . 665 . N parsed_6nx4 1
30 . . . . . . . . . . . . . . . . 6.2550 . . . . . 668 . C . 669 . N parsed_6nx4 1
31 . . . . . . . . . . . . . . . . -3.0070 . . . . . 669 . C . 670 . N parsed_6nx4 1
32 . . . . . . . . . . . . . . . . -0.2490 . . . . . 671 . C . 672 . N parsed_6nx4 1
33 . . . . . . . . . . . . . . . . 0.9930 . . . . . 672 . C . 673 . N parsed_6nx4 1
34 . . . . . . . . . . . . . . . . -1.5200 . . . . . 673 . C . 674 . N parsed_6nx4 1
35 . . . . . . . . . . . . . . . . 2.5630 . . . . . 674 . C . 675 . N parsed_6nx4 1
36 . . . . . . . . . . . . . . . . 4.7950 . . . . . 675 . C . 676 . N parsed_6nx4 1
37 . . . . . . . . . . . . . . . . -2.7260 . . . . . 676 . C . 677 . N parsed_6nx4 1
38 . . . . . . . . . . . . . . . . 3.8240 . . . . . 686 . C . 687 . N parsed_6nx4 1
39 . . . . . . . . . . . . . . . . -0.7410 . . . . . 687 . C . 688 . N parsed_6nx4 1
40 . . . . . . . . . . . . . . . . 1.1130 . . . . . 688 . C . 689 . N parsed_6nx4 1
41 . . . . . . . . . . . . . . . . -4.4920 . . . . . 689 . C . 690 . N parsed_6nx4 1
42 . . . . . . . . . . . . . . . . 4.5830 . . . . . 690 . C . 691 . N parsed_6nx4 1
43 . . . . . . . . . . . . . . . . -1.7310 . . . . . 692 . C . 693 . N parsed_6nx4 1
44 . . . . . . . . . . . . . . . . 0.6040 . . . . . 693 . C . 694 . N parsed_6nx4 1
45 . . . . . . . . . . . . . . . . 1.5970 . . . . . 694 . C . 695 . N parsed_6nx4 1
46 . . . . . . . . . . . . . . . . 0.2640 . . . . . 695 . C . 696 . N parsed_6nx4 1
47 . . . . . . . . . . . . . . . . -3.7030 . . . . . 696 . C . 697 . N parsed_6nx4 1
48 . . . . . . . . . . . . . . . . 4.8750 . . . . . 697 . C . 698 . N parsed_6nx4 1
49 . . . . . . . . . . . . . . . . 1.6110 . . . . . 699 . C . 700 . N parsed_6nx4 1
50 . . . . . . . . . . . . . . . . -3.1180 . . . . . 700 . C . 701 . N parsed_6nx4 1
51 . . . . . . . . . . . . . . . . 4.7550 . . . . . 701 . C . 702 . N parsed_6nx4 1
52 . . . . . . . . . . . . . . . . 0.4600 . . . . . 702 . C . 703 . N parsed_6nx4 1
53 . . . . . . . . . . . . . . . . -0.5710 . . . . . 707 . C . 708 . N parsed_6nx4 1
54 . . . . . . . . . . . . . . . . 5.7670 . . . . . 709 . C . 710 . N parsed_6nx4 1
55 . . . . . . . . . . . . . . . . -3.7880 . . . . . 710 . C . 711 . N parsed_6nx4 1
56 . . . . . . . . . . . . . . . . -1.2330 . . . . . 712 . C . 713 . N parsed_6nx4 1
57 . . . . . . . . . . . . . . . . 5.3450 . . . . . 713 . C . 714 . N parsed_6nx4 1
58 . . . . . . . . . . . . . . . . -0.1080 . . . . . 715 . C . 716 . N parsed_6nx4 1
59 . . . . . . . . . . . . . . . . 2.6840 . . . . . 716 . C . 717 . N parsed_6nx4 1
60 . . . . . . . . . . . . . . . . -0.2900 . . . . . 717 . C . 718 . N parsed_6nx4 1
61 . . . . . . . . . . . . . . . . -0.2130 . . . . . 718 . C . 719 . N parsed_6nx4 1
62 . . . . . . . . . . . . . . . . -1.9940 . . . . . 719 . C . 720 . N parsed_6nx4 1
63 . . . . . . . . . . . . . . . . 5.0220 . . . . . 720 . C . 721 . N parsed_6nx4 1
64 . . . . . . . . . . . . . . . . -3.3960 . . . . . 721 . C . 722 . N parsed_6nx4 1
65 . . . . . . . . . . . . . . . . 0.1830 . . . . . 722 . C . 723 . N parsed_6nx4 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
;
R=Da*DI=D_HN*2609.05/21585.20=2.78
Rhombicity: 0.460907005688
from 73-150 ( better Q)!
;
2 1 7 180 parsed_6nx4 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: SEL23_Pf1_NC_700_v1_pales_rdc_38-150_aria_bc_v2_renumb.tbl" 1 1 1 79 parsed_6nx4 1
stop_
save_
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