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 |
|
|
547338 |
2lvl   |
17534 | cing | 2-parsed | STAR | dipolar coupling | 60 |
data_2lvl_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2lvl
_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_2lvl 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2lvl
_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 2lvl "Master copy" parsed_2lvl
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2lvl
_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 2lvl.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2lvl 1
1 2lvl.mr . . DYANA/DIANA 2 distance NOE simple 3246 parsed_2lvl 1
1 2lvl.mr . . DYANA/DIANA 3 distance "hydrogen bond" simple 36 parsed_2lvl 1
1 2lvl.mr . . DYANA/DIANA 4 "dihedral angle" "Not applicable" "Not applicable" 271 parsed_2lvl 1
1 2lvl.mr . . DYANA/DIANA 5 "dipolar coupling" "Not applicable" "Not applicable" 60 parsed_2lvl 1
1 2lvl.mr . . DYANA/DIANA 6 distance "hydrogen bond" simple 0 parsed_2lvl 1
1 2lvl.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2lvl 1
stop_
save_
save_DYANA/DIANA_dipolar_coupling_5
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2lvl
_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 . . . . . . . . . . . . . . . . -0.375 . . 3.000 . . 17 THR N . 17 THR H parsed_2lvl 1
2 . . . . . . . . . . . . . . . . 23.020 . . 3.000 . . 18 MET N . 18 MET H parsed_2lvl 1
3 . . . . . . . . . . . . . . . . 10.886 . . 3.000 . . 19 GLU N . 19 GLU H parsed_2lvl 1
4 . . . . . . . . . . . . . . . . -11.220 . . 3.000 . . 20 SER N . 20 SER H parsed_2lvl 1
5 . . . . . . . . . . . . . . . . 20.897 . . 3.000 . . 22 ILE N . 22 ILE H parsed_2lvl 1
6 . . . . . . . . . . . . . . . . 2.505 . . 3.000 . . 23 ASP N . 23 ASP H parsed_2lvl 1
7 . . . . . . . . . . . . . . . . 30.810 . . 3.000 . . 25 GLY N . 25 GLY H parsed_2lvl 1
8 . . . . . . . . . . . . . . . . 5.618 . . 3.000 . . 26 LYS N . 26 LYS H parsed_2lvl 1
9 . . . . . . . . . . . . . . . . 8.002 . . 3.000 . . 27 LEU N . 27 LEU H parsed_2lvl 1
10 . . . . . . . . . . . . . . . . -31.726 . . 3.000 . . 29 GLN N . 29 GLN H parsed_2lvl 1
11 . . . . . . . . . . . . . . . . -16.778 . . 3.000 . . 30 VAL N . 30 VAL H parsed_2lvl 1
12 . . . . . . . . . . . . . . . . -6.266 . . 3.000 . . 31 VAL N . 31 VAL H parsed_2lvl 1
13 . . . . . . . . . . . . . . . . 18.406 . . 3.000 . . 32 TYR N . 32 TYR H parsed_2lvl 1
14 . . . . . . . . . . . . . . . . 5.676 . . 3.000 . . 33 ASP N . 33 ASP H parsed_2lvl 1
15 . . . . . . . . . . . . . . . . -14.643 . . 3.000 . . 34 ASP N . 34 ASP H parsed_2lvl 1
16 . . . . . . . . . . . . . . . . 24.883 . . 3.000 . . 35 GLN N . 35 GLN H parsed_2lvl 1
17 . . . . . . . . . . . . . . . . -13.720 . . 3.000 . . 37 TYR N . 37 TYR H parsed_2lvl 1
18 . . . . . . . . . . . . . . . . -17.989 . . 3.000 . . 39 LEU N . 39 LEU H parsed_2lvl 1
19 . . . . . . . . . . . . . . . . 18.105 . . 3.000 . . 40 LYS N . 40 LYS H parsed_2lvl 1
20 . . . . . . . . . . . . . . . . -7.336 . . 3.000 . . 44 ASP N . 44 ASP H parsed_2lvl 1
21 . . . . . . . . . . . . . . . . -23.007 . . 3.000 . . 45 GLU N . 45 GLU H parsed_2lvl 1
22 . . . . . . . . . . . . . . . . -1.451 . . 3.000 . . 46 ASP N . 46 ASP H parsed_2lvl 1
23 . . . . . . . . . . . . . . . . 17.824 . . 3.000 . . 49 GLY N . 49 GLY H parsed_2lvl 1
24 . . . . . . . . . . . . . . . . -1.110 . . 3.000 . . 50 LYS N . 50 LYS H parsed_2lvl 1
25 . . . . . . . . . . . . . . . . 34.589 . . 3.000 . . 51 VAL N . 51 VAL H parsed_2lvl 1
26 . . . . . . . . . . . . . . . . -7.736 . . 3.000 . . 52 ILE N . 52 ILE H parsed_2lvl 1
27 . . . . . . . . . . . . . . . . -9.198 . . 3.000 . . 53 GLY N . 53 GLY H parsed_2lvl 1
28 . . . . . . . . . . . . . . . . -6.811 . . 3.000 . . 54 ALA N . 54 ALA H parsed_2lvl 1
29 . . . . . . . . . . . . . . . . -3.669 . . 3.000 . . 55 ILE N . 55 ILE H parsed_2lvl 1
30 . . . . . . . . . . . . . . . . 3.946 . . 3.000 . . 57 GLN N . 57 GLN H parsed_2lvl 1
31 . . . . . . . . . . . . . . . . -6.012 . . 3.000 . . 59 PHE N . 59 PHE H parsed_2lvl 1
32 . . . . . . . . . . . . . . . . -6.987 . . 3.000 . . 60 PHE N . 60 PHE H parsed_2lvl 1
33 . . . . . . . . . . . . . . . . -2.415 . . 3.000 . . 61 VAL N . 61 VAL H parsed_2lvl 1
34 . . . . . . . . . . . . . . . . -24.384 . . 3.000 . . 63 GLY N . 63 GLY H parsed_2lvl 1
35 . . . . . . . . . . . . . . . . 11.532 . . 3.000 . . 65 GLY N . 65 GLY H parsed_2lvl 1
36 . . . . . . . . . . . . . . . . 8.948 . . 3.000 . . 67 ARG N . 67 ARG H parsed_2lvl 1
37 . . . . . . . . . . . . . . . . -26.155 . . 3.000 . . 69 SER N . 69 SER H parsed_2lvl 1
38 . . . . . . . . . . . . . . . . -12.133 . . 3.000 . . 70 GLU N . 70 GLU H parsed_2lvl 1
39 . . . . . . . . . . . . . . . . -8.405 . . 3.000 . . 72 GLU N . 72 GLU H parsed_2lvl 1
40 . . . . . . . . . . . . . . . . -17.260 . . 3.000 . . 73 LEU N . 73 LEU H parsed_2lvl 1
41 . . . . . . . . . . . . . . . . 11.568 . . 3.000 . . 74 LYS N . 74 LYS H parsed_2lvl 1
42 . . . . . . . . . . . . . . . . -4.103 . . 3.000 . . 88 LYS N . 88 LYS H parsed_2lvl 1
43 . . . . . . . . . . . . . . . . 18.809 . . 3.000 . . 89 LYS N . 89 LYS H parsed_2lvl 1
44 . . . . . . . . . . . . . . . . -1.387 . . 3.000 . . 91 LEU N . 91 LEU H parsed_2lvl 1
45 . . . . . . . . . . . . . . . . -2.504 . . 3.000 . . 92 ARG N . 92 ARG H parsed_2lvl 1
46 . . . . . . . . . . . . . . . . 21.447 . . 3.000 . . 97 TYR N . 97 TYR H parsed_2lvl 1
47 . . . . . . . . . . . . . . . . 4.962 . . 3.000 . . 99 THR N . 99 THR H parsed_2lvl 1
48 . . . . . . . . . . . . . . . . -12.191 . . 3.000 . . 107 ASP N . 107 ASP H parsed_2lvl 1
49 . . . . . . . . . . . . . . . . -2.361 . . 3.000 . . 108 GLU N . 108 GLU H parsed_2lvl 1
50 . . . . . . . . . . . . . . . . 7.894 . . 3.000 . . 109 ILE N . 109 ILE H parsed_2lvl 1
51 . . . . . . . . . . . . . . . . 23.019 . . 3.000 . . 111 VAL N . 111 VAL H parsed_2lvl 1
52 . . . . . . . . . . . . . . . . 4.499 . . 3.000 . . 112 GLU N . 112 GLU H parsed_2lvl 1
53 . . . . . . . . . . . . . . . . -4.244 . . 3.000 . . 115 ARG N . 115 ARG H parsed_2lvl 1
54 . . . . . . . . . . . . . . . . 1.050 . . 3.000 . . 116 GLU N . 116 GLU H parsed_2lvl 1
55 . . . . . . . . . . . . . . . . 5.948 . . 3.000 . . 119 ARG N . 119 ARG H parsed_2lvl 1
56 . . . . . . . . . . . . . . . . 13.761 . . 3.000 . . 120 ALA N . 120 ALA H parsed_2lvl 1
57 . . . . . . . . . . . . . . . . -16.080 . . 3.000 . . 121 VAL N . 121 VAL H parsed_2lvl 1
58 . . . . . . . . . . . . . . . . -20.134 . . 3.000 . . 122 LEU N . 122 LEU H parsed_2lvl 1
59 . . . . . . . . . . . . . . . . 14.338 . . 3.000 . . 123 ILE N . 123 ILE H parsed_2lvl 1
60 . . . . . . . . . . . . . . . . 11.308 . . 3.000 . . 124 LYS N . 124 LYS H parsed_2lvl 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 "1 14.89099 0.53126 140" 1 3 1 30 parsed_2lvl 1
2 1 2 63 2 64 parsed_2lvl 1
3 1 3 63 3 64 parsed_2lvl 1
4 1 4 63 4 64 parsed_2lvl 1
5 1 5 63 5 64 parsed_2lvl 1
6 1 6 63 6 64 parsed_2lvl 1
7 1 7 63 7 64 parsed_2lvl 1
8 1 8 63 8 64 parsed_2lvl 1
9 1 9 63 9 64 parsed_2lvl 1
10 1 10 63 10 64 parsed_2lvl 1
11 1 11 63 11 64 parsed_2lvl 1
12 1 12 63 12 64 parsed_2lvl 1
13 1 13 63 13 64 parsed_2lvl 1
14 1 14 63 14 64 parsed_2lvl 1
15 1 15 63 15 64 parsed_2lvl 1
16 1 16 63 16 64 parsed_2lvl 1
17 1 17 63 17 64 parsed_2lvl 1
18 1 18 63 18 64 parsed_2lvl 1
19 1 19 63 19 64 parsed_2lvl 1
20 1 20 63 20 64 parsed_2lvl 1
21 1 21 63 21 64 parsed_2lvl 1
22 1 22 63 22 64 parsed_2lvl 1
23 1 23 63 23 64 parsed_2lvl 1
24 1 24 63 24 64 parsed_2lvl 1
25 1 25 63 25 64 parsed_2lvl 1
26 1 26 63 26 64 parsed_2lvl 1
27 1 27 63 27 64 parsed_2lvl 1
28 1 28 63 28 64 parsed_2lvl 1
29 1 29 63 29 64 parsed_2lvl 1
30 1 30 63 30 64 parsed_2lvl 1
31 1 31 63 31 64 parsed_2lvl 1
32 1 32 63 32 64 parsed_2lvl 1
33 1 33 63 33 64 parsed_2lvl 1
34 1 34 63 34 64 parsed_2lvl 1
35 1 35 63 35 64 parsed_2lvl 1
36 1 36 63 36 64 parsed_2lvl 1
37 1 37 63 37 64 parsed_2lvl 1
38 1 38 63 38 64 parsed_2lvl 1
39 1 39 63 39 64 parsed_2lvl 1
40 1 40 63 40 64 parsed_2lvl 1
41 1 41 63 41 64 parsed_2lvl 1
42 1 42 63 42 64 parsed_2lvl 1
43 1 43 63 43 64 parsed_2lvl 1
44 1 44 63 44 64 parsed_2lvl 1
45 1 45 63 45 64 parsed_2lvl 1
46 1 46 63 46 64 parsed_2lvl 1
47 1 47 63 47 64 parsed_2lvl 1
48 1 48 63 48 64 parsed_2lvl 1
49 1 49 63 49 64 parsed_2lvl 1
50 1 50 63 50 64 parsed_2lvl 1
51 1 51 63 51 64 parsed_2lvl 1
52 1 52 63 52 64 parsed_2lvl 1
53 1 53 63 53 64 parsed_2lvl 1
54 1 54 63 54 64 parsed_2lvl 1
55 1 55 63 55 64 parsed_2lvl 1
56 1 56 63 56 64 parsed_2lvl 1
57 1 57 63 57 64 parsed_2lvl 1
58 1 58 63 58 64 parsed_2lvl 1
59 1 59 63 59 64 parsed_2lvl 1
60 1 60 63 60 64 parsed_2lvl 1
61 1 61 63 61 64 parsed_2lvl 1
stop_
save_
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