NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | item_count |
|
|
34440 |
1jwe   |
4297 | cing | recoord | 2-parsed | STAR | dipolar coupling | 84 |
data_1jwe_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1jwe
_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_1jwe 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1jwe
_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 1jwe "Master copy" parsed_1jwe
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1jwe
_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 1jwe.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1jwe 1
1 1jwe.mr . . DYANA/DIANA 2 distance NOE simple 1194 parsed_1jwe 1
1 1jwe.mr . . DYANA/DIANA 3 "dihedral angle" "Not applicable" "Not applicable" 262 parsed_1jwe 1
1 1jwe.mr . . DYANA/DIANA 4 "dipolar coupling" "Not applicable" "Not applicable" 84 parsed_1jwe 1
1 1jwe.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1jwe 1
stop_
save_
save_DYANA/DIANA_dipolar_coupling_4
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_1jwe
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 4
_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 . . . . . . . . . . . . . . . . 4 . . 2.0 . . 30 ILE HN . . . . parsed_1jwe 1
2 . . . . . . . . . . . . . . . . 12 . . 2.0 . . 31 GLU- HN . . . . parsed_1jwe 1
3 . . . . . . . . . . . . . . . . 15 . . 2.0 . . 32 ALA HN . . . . parsed_1jwe 1
4 . . . . . . . . . . . . . . . . 5 . . 2.0 . . 33 GLU- HN . . . . parsed_1jwe 1
5 . . . . . . . . . . . . . . . . 7 . . 2.0 . . 34 GLN HN . . . . parsed_1jwe 1
6 . . . . . . . . . . . . . . . . 17 . . 2.0 . . 35 SER HN . . . . parsed_1jwe 1
7 . . . . . . . . . . . . . . . . 9 . . 2.0 . . 36 VAL HN . . . . parsed_1jwe 1
8 . . . . . . . . . . . . . . . . 7 . . 2.0 . . 37 LEU HN . . . . parsed_1jwe 1
9 . . . . . . . . . . . . . . . . 12 . . 2.0 . . 38 GLY HN . . . . parsed_1jwe 1
10 . . . . . . . . . . . . . . . . 15 . . 2.0 . . 39 GLY HN . . . . parsed_1jwe 1
11 . . . . . . . . . . . . . . . . 8 . . 2.0 . . 40 LEU HN . . . . parsed_1jwe 1
12 . . . . . . . . . . . . . . . . 6 . . 2.0 . . 41 MET HN . . . . parsed_1jwe 1
13 . . . . . . . . . . . . . . . . 17 . . 2.0 . . 42 LEU HN . . . . parsed_1jwe 1
14 . . . . . . . . . . . . . . . . 8 . . 2.0 . . 43 ASP- HN . . . . parsed_1jwe 1
15 . . . . . . . . . . . . . . . . 14 . . 2.0 . . 44 ASN HN . . . . parsed_1jwe 1
16 . . . . . . . . . . . . . . . . -6 . . 2.0 . . 45 GLU- HN . . . . parsed_1jwe 1
17 . . . . . . . . . . . . . . . . 0 . . 2.0 . . 46 ARG+ HN . . . . parsed_1jwe 1
18 . . . . . . . . . . . . . . . . 19 . . 2.0 . . 47 TRP HN . . . . parsed_1jwe 1
19 . . . . . . . . . . . . . . . . -10 . . 2.0 . . 47 TRP HE1 . . . . parsed_1jwe 1
20 . . . . . . . . . . . . . . . . 12 . . 2.0 . . 48 ASP- HN . . . . parsed_1jwe 1
21 . . . . . . . . . . . . . . . . 9 . . 2.0 . . 49 ASP- HN . . . . parsed_1jwe 1
22 . . . . . . . . . . . . . . . . 18 . . 2.0 . . 50 VAL HN . . . . parsed_1jwe 1
23 . . . . . . . . . . . . . . . . 11 . . 2.0 . . 51 ALA HN . . . . parsed_1jwe 1
24 . . . . . . . . . . . . . . . . 17 . . 2.0 . . 53 ARG+ HN . . . . parsed_1jwe 1
25 . . . . . . . . . . . . . . . . 14 . . 2.0 . . 54 VAL HN . . . . parsed_1jwe 1
26 . . . . . . . . . . . . . . . . 7 . . 2.0 . . 55 VAL HN . . . . parsed_1jwe 1
27 . . . . . . . . . . . . . . . . -1 . . 2.0 . . 56 ALA HN . . . . parsed_1jwe 1
28 . . . . . . . . . . . . . . . . -9 . . 2.0 . . 57 ASP- HN . . . . parsed_1jwe 1
29 . . . . . . . . . . . . . . . . 3 . . 2.0 . . 65 ARG+ HN . . . . parsed_1jwe 1
30 . . . . . . . . . . . . . . . . -3 . . 2.0 . . 66 HIS HN . . . . parsed_1jwe 1
31 . . . . . . . . . . . . . . . . 2 . . 2.0 . . 67 ILE HN . . . . parsed_1jwe 1
32 . . . . . . . . . . . . . . . . 7 . . 2.0 . . 68 PHE HN . . . . parsed_1jwe 1
33 . . . . . . . . . . . . . . . . -2 . . 2.0 . . 69 THR HN . . . . parsed_1jwe 1
34 . . . . . . . . . . . . . . . . -5 . . 2.0 . . 70 GLU- HN . . . . parsed_1jwe 1
35 . . . . . . . . . . . . . . . . 6 . . 2.0 . . 71 MET HN . . . . parsed_1jwe 1
36 . . . . . . . . . . . . . . . . 5 . . 2.0 . . 72 ALA HN . . . . parsed_1jwe 1
37 . . . . . . . . . . . . . . . . -5 . . 2.0 . . 73 ARG+ HN . . . . parsed_1jwe 1
38 . . . . . . . . . . . . . . . . 0 . . 2.0 . . 74 LEU HN . . . . parsed_1jwe 1
39 . . . . . . . . . . . . . . . . 7 . . 2.0 . . 75 GLN HN . . . . parsed_1jwe 1
40 . . . . . . . . . . . . . . . . 0 . . 2.0 . . 76 GLU- HN . . . . parsed_1jwe 1
41 . . . . . . . . . . . . . . . . -7 . . 2.0 . . 77 SER HN . . . . parsed_1jwe 1
42 . . . . . . . . . . . . . . . . 17 . . 2.0 . . 78 GLY HN . . . . parsed_1jwe 1
43 . . . . . . . . . . . . . . . . 8 . . 2.0 . . 79 SER HN . . . . parsed_1jwe 1
44 . . . . . . . . . . . . . . . . -9 . . 2.0 . . 81 ILE HN . . . . parsed_1jwe 1
45 . . . . . . . . . . . . . . . . 4 . . 2.0 . . 82 ASP- HN . . . . parsed_1jwe 1
46 . . . . . . . . . . . . . . . . -10 . . 2.0 . . 83 LEU HN . . . . parsed_1jwe 1
47 . . . . . . . . . . . . . . . . -8 . . 2.0 . . 84 ILE HN . . . . parsed_1jwe 1
48 . . . . . . . . . . . . . . . . -6 . . 2.0 . . 85 THR HN . . . . parsed_1jwe 1
49 . . . . . . . . . . . . . . . . -14 . . 2.0 . . 86 LEU HN . . . . parsed_1jwe 1
50 . . . . . . . . . . . . . . . . -10 . . 2.0 . . 87 ALA HN . . . . parsed_1jwe 1
51 . . . . . . . . . . . . . . . . -9 . . 2.0 . . 88 GLU- HN . . . . parsed_1jwe 1
52 . . . . . . . . . . . . . . . . -10 . . 2.0 . . 89 SER HN . . . . parsed_1jwe 1
53 . . . . . . . . . . . . . . . . -13 . . 2.0 . . 90 LEU HN . . . . parsed_1jwe 1
54 . . . . . . . . . . . . . . . . -9 . . 2.0 . . 91 GLU- HN . . . . parsed_1jwe 1
55 . . . . . . . . . . . . . . . . -8 . . 2.0 . . 92 ARG+ HN . . . . parsed_1jwe 1
56 . . . . . . . . . . . . . . . . -9 . . 2.0 . . 93 GLN HN . . . . parsed_1jwe 1
57 . . . . . . . . . . . . . . . . 5 . . 2.0 . . 94 GLY HN . . . . parsed_1jwe 1
58 . . . . . . . . . . . . . . . . 3 . . 2.0 . . 95 GLN HN . . . . parsed_1jwe 1
59 . . . . . . . . . . . . . . . . 11 . . 2.0 . . 96 LEU HN . . . . parsed_1jwe 1
60 . . . . . . . . . . . . . . . . 0 . . 2.0 . . 97 ASP- HN . . . . parsed_1jwe 1
61 . . . . . . . . . . . . . . . . -9 . . 2.0 . . 104 TYR HN . . . . parsed_1jwe 1
62 . . . . . . . . . . . . . . . . 0 . . 2.0 . . 105 LEU HN . . . . parsed_1jwe 1
63 . . . . . . . . . . . . . . . . -5 . . 2.0 . . 106 ALA HN . . . . parsed_1jwe 1
64 . . . . . . . . . . . . . . . . -11 . . 2.0 . . 107 GLU- HN . . . . parsed_1jwe 1
65 . . . . . . . . . . . . . . . . -5 . . 2.0 . . 108 LEU HN . . . . parsed_1jwe 1
66 . . . . . . . . . . . . . . . . -2 . . 2.0 . . 109 SER HN . . . . parsed_1jwe 1
67 . . . . . . . . . . . . . . . . -7 . . 2.0 . . 110 LYS+ HN . . . . parsed_1jwe 1
68 . . . . . . . . . . . . . . . . -10 . . 2.0 . . 111 ASN HN . . . . parsed_1jwe 1
69 . . . . . . . . . . . . . . . . 8 . . 2.0 . . 118 ILE HN . . . . parsed_1jwe 1
70 . . . . . . . . . . . . . . . . -3 . . 2.0 . . 119 SER HN . . . . parsed_1jwe 1
71 . . . . . . . . . . . . . . . . 3 . . 2.0 . . 120 ALA HN . . . . parsed_1jwe 1
72 . . . . . . . . . . . . . . . . 11 . . 2.0 . . 121 TYR HN . . . . parsed_1jwe 1
73 . . . . . . . . . . . . . . . . 3 . . 2.0 . . 122 ALA HN . . . . parsed_1jwe 1
74 . . . . . . . . . . . . . . . . -4 . . 2.0 . . 123 ASP- HN . . . . parsed_1jwe 1
75 . . . . . . . . . . . . . . . . 8 . . 2.0 . . 124 ILE HN . . . . parsed_1jwe 1
76 . . . . . . . . . . . . . . . . 8 . . 2.0 . . 125 VAL HN . . . . parsed_1jwe 1
77 . . . . . . . . . . . . . . . . 0 . . 2.0 . . 126 ARG+ HN . . . . parsed_1jwe 1
78 . . . . . . . . . . . . . . . . 0 . . 2.0 . . 127 GLU- HN . . . . parsed_1jwe 1
79 . . . . . . . . . . . . . . . . 13 . . 2.0 . . 128 ARG+ HN . . . . parsed_1jwe 1
80 . . . . . . . . . . . . . . . . 3 . . 2.0 . . 129 ALA HN . . . . parsed_1jwe 1
81 . . . . . . . . . . . . . . . . -4 . . 2.0 . . 130 VAL HN . . . . parsed_1jwe 1
82 . . . . . . . . . . . . . . . . 4 . . 2.0 . . 131 VAL HN . . . . parsed_1jwe 1
83 . . . . . . . . . . . . . . . . 8 . . 2.0 . . 132 ARG+ HN . . . . parsed_1jwe 1
84 . . . . . . . . . . . . . . . . -1 . . 2.0 . . 133 GLU- HN . . . . parsed_1jwe 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 "################################################" 1 1 1 50 parsed_1jwe 1
2 "RESIDUAL DIPOLAR COUPLINGS 15N-1H" 2 1 2 34 parsed_1jwe 1
3 "DYANA FORMAT" 3 1 3 13 parsed_1jwe 1
4 "NOT USED for FINAL RESTRAINED ENERGY MINIMIZATION" 4 1 4 50 parsed_1jwe 1
5 "#################################################" 5 1 5 51 parsed_1jwe 1
stop_
save_
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