NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
540515 |
2llx   |
18092 | cing | 2-parsed | STAR | dipolar coupling | 69 |
data_2llx_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2llx
_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_2llx 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2llx
_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 2llx "Master copy" parsed_2llx
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2llx
_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 2llx.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2llx 1
1 2llx.mr . . XPLOR/CNS 2 distance NOE simple 2631 parsed_2llx 1
1 2llx.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 38 parsed_2llx 1
1 2llx.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 316 parsed_2llx 1
1 2llx.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 69 parsed_2llx 1
1 2llx.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2llx 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_5
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2llx
_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 . . . . . . . . . . . . . . . . -3.8 . . . . . 2 . N . 2 . HN parsed_2llx 1
2 . . . . . . . . . . . . . . . . -4.6 . . . . . 6 . N . 6 . HN parsed_2llx 1
3 . . . . . . . . . . . . . . . . -6.9 . . . . . 8 . N . 8 . HN parsed_2llx 1
4 . . . . . . . . . . . . . . . . -20.9 . . . . . 10 . N . 10 . HN parsed_2llx 1
5 . . . . . . . . . . . . . . . . -19.9 . . . . . 11 . N . 11 . HN parsed_2llx 1
6 . . . . . . . . . . . . . . . . -15.1 . . . . . 12 . N . 12 . HN parsed_2llx 1
7 . . . . . . . . . . . . . . . . -15.1 . . . . . 19 . N . 19 . HN parsed_2llx 1
8 . . . . . . . . . . . . . . . . -36.3 . . . . . 22 . N . 22 . HN parsed_2llx 1
9 . . . . . . . . . . . . . . . . -8.9 . . . . . 26 . N . 26 . HN parsed_2llx 1
10 . . . . . . . . . . . . . . . . -21.7 . . . . . 27 . N . 27 . HN parsed_2llx 1
11 . . . . . . . . . . . . . . . . 22.7 . . . . . 29 . N . 29 . HN parsed_2llx 1
12 . . . . . . . . . . . . . . . . -3.2 . . . . . 31 . N . 31 . HN parsed_2llx 1
13 . . . . . . . . . . . . . . . . 2.8 . . . . . 33 . N . 33 . HN parsed_2llx 1
14 . . . . . . . . . . . . . . . . 36.9 . . . . . 35 . N . 35 . HN parsed_2llx 1
15 . . . . . . . . . . . . . . . . 14.3 . . . . . 37 . N . 37 . HN parsed_2llx 1
16 . . . . . . . . . . . . . . . . 2.1 . . . . . 38 . N . 38 . HN parsed_2llx 1
17 . . . . . . . . . . . . . . . . 12.1 . . . . . 39 . N . 39 . HN parsed_2llx 1
18 . . . . . . . . . . . . . . . . 32.8 . . . . . 42 . N . 42 . HN parsed_2llx 1
19 . . . . . . . . . . . . . . . . 0.9 . . . . . 43 . N . 43 . HN parsed_2llx 1
20 . . . . . . . . . . . . . . . . 1.3 . . . . . 44 . N . 44 . HN parsed_2llx 1
21 . . . . . . . . . . . . . . . . -15.6 . . . . . 46 . N . 46 . HN parsed_2llx 1
22 . . . . . . . . . . . . . . . . -27.0 . . . . . 48 . N . 48 . HN parsed_2llx 1
23 . . . . . . . . . . . . . . . . -21.5 . . . . . 49 . N . 49 . HN parsed_2llx 1
24 . . . . . . . . . . . . . . . . -27.5 . . . . . 53 . N . 53 . HN parsed_2llx 1
25 . . . . . . . . . . . . . . . . -19.5 . . . . . 56 . N . 56 . HN parsed_2llx 1
26 . . . . . . . . . . . . . . . . -16.8 . . . . . 57 . N . 57 . HN parsed_2llx 1
27 . . . . . . . . . . . . . . . . -17.7 . . . . . 59 . N . 59 . HN parsed_2llx 1
28 . . . . . . . . . . . . . . . . -33.1 . . . . . 61 . N . 61 . HN parsed_2llx 1
29 . . . . . . . . . . . . . . . . 5.1 . . . . . 62 . N . 62 . HN parsed_2llx 1
30 . . . . . . . . . . . . . . . . 17.4 . . . . . 63 . N . 63 . HN parsed_2llx 1
31 . . . . . . . . . . . . . . . . -5.7 . . . . . 64 . N . 64 . HN parsed_2llx 1
32 . . . . . . . . . . . . . . . . -4.9 . . . . . 66 . N . 66 . HN parsed_2llx 1
33 . . . . . . . . . . . . . . . . -22.7 . . . . . 67 . N . 67 . HN parsed_2llx 1
34 . . . . . . . . . . . . . . . . -36.0 . . . . . 71 . N . 71 . HN parsed_2llx 1
35 . . . . . . . . . . . . . . . . -5.6 . . . . . 73 . N . 73 . HN parsed_2llx 1
36 . . . . . . . . . . . . . . . . -1.5 . . . . . 74 . N . 74 . HN parsed_2llx 1
37 . . . . . . . . . . . . . . . . 9.8 . . . . . 77 . N . 77 . HN parsed_2llx 1
38 . . . . . . . . . . . . . . . . -16.2 . . . . . 78 . N . 78 . HN parsed_2llx 1
39 . . . . . . . . . . . . . . . . -29.8 . . . . . 82 . N . 82 . HN parsed_2llx 1
40 . . . . . . . . . . . . . . . . -20.9 . . . . . 83 . N . 83 . HN parsed_2llx 1
41 . . . . . . . . . . . . . . . . 19.4 . . . . . 84 . N . 84 . HN parsed_2llx 1
42 . . . . . . . . . . . . . . . . -30.5 . . . . . 85 . N . 85 . HN parsed_2llx 1
43 . . . . . . . . . . . . . . . . 14.3 . . . . . 88 . N . 88 . HN parsed_2llx 1
44 . . . . . . . . . . . . . . . . 32.4 . . . . . 91 . N . 91 . HN parsed_2llx 1
45 . . . . . . . . . . . . . . . . 34.4 . . . . . 92 . N . 92 . HN parsed_2llx 1
46 . . . . . . . . . . . . . . . . 4.9 . . . . . 94 . N . 94 . HN parsed_2llx 1
47 . . . . . . . . . . . . . . . . 1.2 . . . . . 95 . N . 95 . HN parsed_2llx 1
48 . . . . . . . . . . . . . . . . 20.3 . . . . . 96 . N . 96 . HN parsed_2llx 1
49 . . . . . . . . . . . . . . . . 21.6 . . . . . 98 . N . 98 . HN parsed_2llx 1
50 . . . . . . . . . . . . . . . . 30.7 . . . . . 101 . N . 101 . HN parsed_2llx 1
51 . . . . . . . . . . . . . . . . -2.5 . . . . . 102 . N . 102 . HN parsed_2llx 1
52 . . . . . . . . . . . . . . . . -28.4 . . . . . 104 . N . 104 . HN parsed_2llx 1
53 . . . . . . . . . . . . . . . . -11.2 . . . . . 105 . N . 105 . HN parsed_2llx 1
54 . . . . . . . . . . . . . . . . -11.5 . . . . . 107 . N . 107 . HN parsed_2llx 1
55 . . . . . . . . . . . . . . . . 27.5 . . . . . 109 . N . 109 . HN parsed_2llx 1
56 . . . . . . . . . . . . . . . . 6.6 . . . . . 110 . N . 110 . HN parsed_2llx 1
57 . . . . . . . . . . . . . . . . 16.0 . . . . . 112 . N . 112 . HN parsed_2llx 1
58 . . . . . . . . . . . . . . . . 16.5 . . . . . 113 . N . 113 . HN parsed_2llx 1
59 . . . . . . . . . . . . . . . . -31.8 . . . . . 118 . N . 118 . HN parsed_2llx 1
60 . . . . . . . . . . . . . . . . -1.7 . . . . . 121 . N . 121 . HN parsed_2llx 1
61 . . . . . . . . . . . . . . . . 24.1 . . . . . 122 . N . 122 . HN parsed_2llx 1
62 . . . . . . . . . . . . . . . . 9.6 . . . . . 123 . N . 123 . HN parsed_2llx 1
63 . . . . . . . . . . . . . . . . -3.2 . . . . . 124 . N . 124 . HN parsed_2llx 1
64 . . . . . . . . . . . . . . . . 12.6 . . . . . 126 . N . 126 . HN parsed_2llx 1
65 . . . . . . . . . . . . . . . . 20.0 . . . . . 127 . N . 127 . HN parsed_2llx 1
66 . . . . . . . . . . . . . . . . 19.4 . . . . . 128 . N . 128 . HN parsed_2llx 1
67 . . . . . . . . . . . . . . . . 14.7 . . . . . 130 . N . 130 . HN parsed_2llx 1
68 . . . . . . . . . . . . . . . . 19.3 . . . . . 131 . N . 131 . HN parsed_2llx 1
69 . . . . . . . . . . . . . . . . -1.3 . . . . . 140 . N . 140 . HN parsed_2llx 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
;
Susceptability anisotropy restraint data (RDCs)
Tensor coefficients: Axial = 20.16; Rhombicity = 0.687
;
1 1 4 2 parsed_2llx 1
stop_
save_
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