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 |
|
|
624357 |
6b3u   |
30349 | cing | 2-parsed | STAR | dipolar coupling | 70 |
data_6b3u_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6b3u
_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_6b3u 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6b3u
_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 6b3u "Master copy" parsed_6b3u
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6b3u
_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 6b3u.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6b3u 1
1 6b3u.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 64 parsed_6b3u 1
1 6b3u.mr . . XPLOR/CNS 3 "dipolar coupling" "Not applicable" "Not applicable" 70 parsed_6b3u 1
1 6b3u.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6b3u 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_3
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_6b3u
_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 . . . . . . . . . . . . . . . . -14.219 . . . . . 679 . N . 679 . HN parsed_6b3u 1
2 . . . . . . . . . . . . . . . . -3.684 . . . . . 680 . N . 680 . HN parsed_6b3u 1
3 . . . . . . . . . . . . . . . . 0.384 . . . . . 681 . N . 681 . HN parsed_6b3u 1
4 . . . . . . . . . . . . . . . . -12.754 . . . . . 682 . N . 682 . HN parsed_6b3u 1
5 . . . . . . . . . . . . . . . . -8.958 . . . . . 683 . N . 683 . HN parsed_6b3u 1
6 . . . . . . . . . . . . . . . . -1.517 . . . . . 684 . N . 684 . HN parsed_6b3u 1
7 . . . . . . . . . . . . . . . . -3.885 . . . . . 685 . N . 685 . HN parsed_6b3u 1
8 . . . . . . . . . . . . . . . . -12.843 . . . . . 686 . N . 686 . HN parsed_6b3u 1
9 . . . . . . . . . . . . . . . . -5.967 . . . . . 687 . N . 687 . HN parsed_6b3u 1
10 . . . . . . . . . . . . . . . . -0.782 . . . . . 688 . N . 688 . HN parsed_6b3u 1
11 . . . . . . . . . . . . . . . . -10.258 . . . . . 690 . N . 690 . HN parsed_6b3u 1
12 . . . . . . . . . . . . . . . . 0.696 . . . . . 691 . N . 691 . HN parsed_6b3u 1
13 . . . . . . . . . . . . . . . . -0.655 . . . . . 692 . N . 692 . HN parsed_6b3u 1
14 . . . . . . . . . . . . . . . . -9.736 . . . . . 693 . N . 693 . HN parsed_6b3u 1
15 . . . . . . . . . . . . . . . . -5.296 . . . . . 694 . N . 694 . HN parsed_6b3u 1
16 . . . . . . . . . . . . . . . . 0.652 . . . . . 695 . N . 695 . HN parsed_6b3u 1
17 . . . . . . . . . . . . . . . . -2.963 . . . . . 696 . N . 696 . HN parsed_6b3u 1
18 . . . . . . . . . . . . . . . . -8.958 . . . . . 697 . N . 697 . HN parsed_6b3u 1
19 . . . . . . . . . . . . . . . . -1.523 . . . . . 698 . N . 698 . HN parsed_6b3u 1
20 . . . . . . . . . . . . . . . . 3.146 . . . . . 699 . N . 699 . HN parsed_6b3u 1
21 . . . . . . . . . . . . . . . . -6.955 . . . . . 700 . N . 700 . HN parsed_6b3u 1
22 . . . . . . . . . . . . . . . . -6.980 . . . . . 701 . N . 701 . HN parsed_6b3u 1
23 . . . . . . . . . . . . . . . . 2.416 . . . . . 702 . N . 702 . HN parsed_6b3u 1
24 . . . . . . . . . . . . . . . . -1.473 . . . . . 703 . N . 703 . HN parsed_6b3u 1
25 . . . . . . . . . . . . . . . . -11.549 . . . . . 704 . N . 704 . HN parsed_6b3u 1
26 . . . . . . . . . . . . . . . . -3.220 . . . . . 705 . N . 705 . HN parsed_6b3u 1
27 . . . . . . . . . . . . . . . . 2.943 . . . . . 706 . N . 706 . HN parsed_6b3u 1
28 . . . . . . . . . . . . . . . . -4.961 . . . . . 707 . N . 707 . HN parsed_6b3u 1
29 . . . . . . . . . . . . . . . . -9.249 . . . . . 708 . N . 708 . HN parsed_6b3u 1
30 . . . . . . . . . . . . . . . . 1.401 . . . . . 709 . N . 709 . HN parsed_6b3u 1
31 . . . . . . . . . . . . . . . . -6.5530 . . . . . 679 . N . 679 . HN parsed_6b3u 1
32 . . . . . . . . . . . . . . . . 2.4080 . . . . . 680 . N . 680 . HN parsed_6b3u 1
33 . . . . . . . . . . . . . . . . -6.7100 . . . . . 682 . N . 682 . HN parsed_6b3u 1
34 . . . . . . . . . . . . . . . . -4.4520 . . . . . 683 . N . 683 . HN parsed_6b3u 1
35 . . . . . . . . . . . . . . . . 1.2590 . . . . . 684 . N . 684 . HN parsed_6b3u 1
36 . . . . . . . . . . . . . . . . 1.1510 . . . . . 685 . N . 685 . HN parsed_6b3u 1
37 . . . . . . . . . . . . . . . . -6.7840 . . . . . 686 . N . 686 . HN parsed_6b3u 1
38 . . . . . . . . . . . . . . . . -1.8870 . . . . . 687 . N . 687 . HN parsed_6b3u 1
39 . . . . . . . . . . . . . . . . 2.4970 . . . . . 688 . N . 688 . HN parsed_6b3u 1
40 . . . . . . . . . . . . . . . . -6.2760 . . . . . 690 . N . 690 . HN parsed_6b3u 1
41 . . . . . . . . . . . . . . . . 3.6550 . . . . . 691 . N . 691 . HN parsed_6b3u 1
42 . . . . . . . . . . . . . . . . 3.7350 . . . . . 692 . N . 692 . HN parsed_6b3u 1
43 . . . . . . . . . . . . . . . . -5.0000 . . . . . 693 . N . 693 . HN parsed_6b3u 1
44 . . . . . . . . . . . . . . . . -0.5280 . . . . . 694 . N . 694 . HN parsed_6b3u 1
45 . . . . . . . . . . . . . . . . 2.9650 . . . . . 695 . N . 695 . HN parsed_6b3u 1
46 . . . . . . . . . . . . . . . . 2.9580 . . . . . 696 . N . 696 . HN parsed_6b3u 1
47 . . . . . . . . . . . . . . . . -3.1090 . . . . . 697 . N . 697 . HN parsed_6b3u 1
48 . . . . . . . . . . . . . . . . 0.7990 . . . . . 698 . N . 698 . HN parsed_6b3u 1
49 . . . . . . . . . . . . . . . . 5.5920 . . . . . 699 . N . 699 . HN parsed_6b3u 1
50 . . . . . . . . . . . . . . . . -2.9700 . . . . . 700 . N . 700 . HN parsed_6b3u 1
51 . . . . . . . . . . . . . . . . -2.9350 . . . . . 701 . N . 701 . HN parsed_6b3u 1
52 . . . . . . . . . . . . . . . . 3.8930 . . . . . 702 . N . 702 . HN parsed_6b3u 1
53 . . . . . . . . . . . . . . . . 2.8360 . . . . . 703 . N . 703 . HN parsed_6b3u 1
54 . . . . . . . . . . . . . . . . -5.1530 . . . . . 704 . N . 704 . HN parsed_6b3u 1
55 . . . . . . . . . . . . . . . . -0.4780 . . . . . 705 . N . 705 . HN parsed_6b3u 1
56 . . . . . . . . . . . . . . . . 4.6830 . . . . . 706 . N . 706 . HN parsed_6b3u 1
57 . . . . . . . . . . . . . . . . -0.4640 . . . . . 707 . N . 707 . HN parsed_6b3u 1
58 . . . . . . . . . . . . . . . . -3.3520 . . . . . 708 . N . 708 . HN parsed_6b3u 1
59 . . . . . . . . . . . . . . . . 3.3750 . . . . . 709 . N . 709 . HN parsed_6b3u 1
60 . . . . . . . . . . . . . . . . 7.8840 . . . . . 681 . N . 681 . HN parsed_6b3u 1
61 . . . . . . . . . . . . . . . . 11.3890 . . . . . 682 . N . 682 . HN parsed_6b3u 1
62 . . . . . . . . . . . . . . . . 11.3470 . . . . . 683 . N . 683 . HN parsed_6b3u 1
63 . . . . . . . . . . . . . . . . 13.1970 . . . . . 684 . N . 684 . HN parsed_6b3u 1
64 . . . . . . . . . . . . . . . . 15.2900 . . . . . 685 . N . 685 . HN parsed_6b3u 1
65 . . . . . . . . . . . . . . . . 11.2710 . . . . . 686 . N . 686 . HN parsed_6b3u 1
66 . . . . . . . . . . . . . . . . 10.5650 . . . . . 688 . N . 688 . HN parsed_6b3u 1
67 . . . . . . . . . . . . . . . . 14.5390 . . . . . 689 . N . 689 . HN parsed_6b3u 1
68 . . . . . . . . . . . . . . . . 14.2880 . . . . . 690 . N . 690 . HN parsed_6b3u 1
69 . . . . . . . . . . . . . . . . 14.8670 . . . . . 691 . N . 691 . HN parsed_6b3u 1
70 . . . . . . . . . . . . . . . . 12.3860 . . . . . 692 . N . 692 . HN parsed_6b3u 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 "REMARK Phi/Psi Angles From 'Generous' Predictions" 1 1 1 53 parsed_6b3u 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_nh_pos.tbl" 2 1 2 35 parsed_6b3u 1
2 "# Restraints file 3: rdc_nh_neu.tbl" 183 1 183 35 parsed_6b3u 1
3 "# Restraints file 4: rdc_nh_tm.tbl" 358 1 358 34 parsed_6b3u 1
stop_
save_
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