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 |
|
|
560354 |
2m5v   |
18242 | cing | 2-parsed | STAR | dipolar coupling | 45 |
data_2m5v_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2m5v
_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_2m5v 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2m5v
_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 2m5v "Master copy" parsed_2m5v
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2m5v
_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 2m5v.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2m5v 1
1 2m5v.mr . . DYANA/DIANA 2 distance NOE simple 929 parsed_2m5v 1
1 2m5v.mr . . DYANA/DIANA 3 "dipolar coupling" "Not applicable" "Not applicable" 45 parsed_2m5v 1
1 2m5v.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2m5v 1
stop_
save_
save_DYANA/DIANA_dipolar_coupling_3
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2m5v
_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 . . . . . . . . . . . . . . . . 15.586 . . 2.000 . . 12 ARG H . 12 ARG N parsed_2m5v 1
2 . . . . . . . . . . . . . . . . 22.215 . . 2.000 . . 13 GLU H . 13 GLU N parsed_2m5v 1
3 . . . . . . . . . . . . . . . . -1.532 . . 2.000 . . 14 ALA H . 14 ALA N parsed_2m5v 1
4 . . . . . . . . . . . . . . . . 6.103 . . 2.000 . . 15 LEU H . 15 LEU N parsed_2m5v 1
5 . . . . . . . . . . . . . . . . 20.680 . . 2.000 . . 16 LEU H . 16 LEU N parsed_2m5v 1
6 . . . . . . . . . . . . . . . . 10.721 . . 2.000 . . 17 TRP H . 17 TRP N parsed_2m5v 1
7 . . . . . . . . . . . . . . . . 6.312 . . 2.000 . . 19 LEU H . 19 LEU N parsed_2m5v 1
8 . . . . . . . . . . . . . . . . 27.577 . . 2.000 . . 20 SER H . 20 SER N parsed_2m5v 1
9 . . . . . . . . . . . . . . . . -5.362 . . 2.000 . . 21 ASP H . 21 ASP N parsed_2m5v 1
10 . . . . . . . . . . . . . . . . -17.608 . . 2.000 . . 24 GLU H . 24 GLU N parsed_2m5v 1
11 . . . . . . . . . . . . . . . . -23.995 . . 2.000 . . 25 ASN H . 25 ASN N parsed_2m5v 1
12 . . . . . . . . . . . . . . . . 3.830 . . 2.000 . . 26 ASP H . 26 ASP N parsed_2m5v 1
13 . . . . . . . . . . . . . . . . -19.917 . . 2.000 . . 27 PHE H . 27 PHE N parsed_2m5v 1
14 . . . . . . . . . . . . . . . . -21.438 . . 2.000 . . 28 LYS H . 28 LYS N parsed_2m5v 1
15 . . . . . . . . . . . . . . . . -23.541 . . 2.000 . . 31 LYS H . 31 LYS N parsed_2m5v 1
16 . . . . . . . . . . . . . . . . -16.374 . . 2.000 . . 36 ASP H . 36 ASP N parsed_2m5v 1
17 . . . . . . . . . . . . . . . . -17.151 . . 2.000 . . 37 MET H . 37 MET N parsed_2m5v 1
18 . . . . . . . . . . . . . . . . -6.319 . . 2.000 . . 38 THR H . 38 THR N parsed_2m5v 1
19 . . . . . . . . . . . . . . . . 2.809 . . 2.000 . . 54 LEU H . 54 LEU N parsed_2m5v 1
20 . . . . . . . . . . . . . . . . -14.797 . . 2.000 . . 55 ILE H . 55 ILE N parsed_2m5v 1
21 . . . . . . . . . . . . . . . . -23.018 . . 2.000 . . 57 VAL H . 57 VAL N parsed_2m5v 1
22 . . . . . . . . . . . . . . . . -6.211 . . 2.000 . . 58 ASP H . 58 ASP N parsed_2m5v 1
23 . . . . . . . . . . . . . . . . -20.683 . . 2.000 . . 59 LEU H . 59 LEU N parsed_2m5v 1
24 . . . . . . . . . . . . . . . . -21.449 . . 2.000 . . 60 ALA H . 60 ALA N parsed_2m5v 1
25 . . . . . . . . . . . . . . . . -19.917 . . 2.000 . . 61 GLU H . 61 GLU N parsed_2m5v 1
26 . . . . . . . . . . . . . . . . -15.514 . . 2.000 . . 62 LEU H . 62 LEU N parsed_2m5v 1
27 . . . . . . . . . . . . . . . . -24.516 . . 2.000 . . 63 LEU H . 63 LEU N parsed_2m5v 1
28 . . . . . . . . . . . . . . . . -9.193 . . 2.000 . . 65 SER H . 65 SER N parsed_2m5v 1
29 . . . . . . . . . . . . . . . . 3.064 . . 2.000 . . 69 GLU H . 69 GLU N parsed_2m5v 1
30 . . . . . . . . . . . . . . . . -12.248 . . 2.000 . . 70 LYS H . 70 LYS N parsed_2m5v 1
31 . . . . . . . . . . . . . . . . -16.853 . . 2.000 . . 71 GLU H . 71 GLU N parsed_2m5v 1
32 . . . . . . . . . . . . . . . . 12.256 . . 2.000 . . 73 VAL H . 73 VAL N parsed_2m5v 1
33 . . . . . . . . . . . . . . . . 19.917 . . 2.000 . . 76 VAL H . 76 VAL N parsed_2m5v 1
34 . . . . . . . . . . . . . . . . 5.362 . . 2.000 . . 77 LEU H . 77 LEU N parsed_2m5v 1
35 . . . . . . . . . . . . . . . . 8.784 . . 2.000 . . 79 GLY H . 79 GLY N parsed_2m5v 1
36 . . . . . . . . . . . . . . . . 13.788 . . 2.000 . . 80 LEU H . 80 LEU N parsed_2m5v 1
37 . . . . . . . . . . . . . . . . -10.698 . . 2.000 . . 81 LYS H . 81 LYS N parsed_2m5v 1
38 . . . . . . . . . . . . . . . . -13.026 . . 2.000 . . 82 VAL H . 82 VAL N parsed_2m5v 1
39 . . . . . . . . . . . . . . . . 17.618 . . 2.000 . . 83 MET H . 83 MET N parsed_2m5v 1
40 . . . . . . . . . . . . . . . . 13.784 . . 2.000 . . 86 LEU H . 86 LEU N parsed_2m5v 1
41 . . . . . . . . . . . . . . . . 2.308 . . 2.000 . . 90 ASP H . 90 ASP N parsed_2m5v 1
42 . . . . . . . . . . . . . . . . 0.774 . . 2.000 . . 91 GLN H . 91 GLN N parsed_2m5v 1
43 . . . . . . . . . . . . . . . . -7.993 . . 2.000 . . 92 LEU H . 92 LEU N parsed_2m5v 1
44 . . . . . . . . . . . . . . . . -1.109 . . 2.000 . . 93 SER H . 93 SER N parsed_2m5v 1
45 . . . . . . . . . . . . . . . . 29.871 . . 2.000 . . 95 ILE H . 95 ILE N parsed_2m5v 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 "Orientation Magnitude Rhombicity ORI residue number" 1 1 1 63 parsed_2m5v 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 -11.00 0.550 366
# First atom Second atom RDC Error Weight Orientation
;
2 8 4 80 parsed_2m5v 1
2 1 6 41 6 42 parsed_2m5v 1
3 1 7 41 7 42 parsed_2m5v 1
4 1 8 41 8 42 parsed_2m5v 1
5 1 9 40 9 41 parsed_2m5v 1
6 1 10 41 10 42 parsed_2m5v 1
7 1 11 41 11 42 parsed_2m5v 1
8 1 12 40 12 41 parsed_2m5v 1
9 1 13 41 13 42 parsed_2m5v 1
10 1 14 41 14 42 parsed_2m5v 1
11 1 15 41 15 42 parsed_2m5v 1
12 1 16 41 16 42 parsed_2m5v 1
13 1 17 40 17 41 parsed_2m5v 1
14 1 18 41 18 42 parsed_2m5v 1
15 1 19 41 19 42 parsed_2m5v 1
16 1 20 41 20 42 parsed_2m5v 1
17 1 21 41 21 42 parsed_2m5v 1
18 1 22 41 22 42 parsed_2m5v 1
19 1 23 41 23 42 parsed_2m5v 1
20 1 24 40 24 41 parsed_2m5v 1
21 1 25 41 25 42 parsed_2m5v 1
22 1 26 41 26 42 parsed_2m5v 1
23 1 27 41 27 42 parsed_2m5v 1
24 1 28 41 28 42 parsed_2m5v 1
25 1 29 41 29 42 parsed_2m5v 1
26 1 30 41 30 42 parsed_2m5v 1
27 1 31 41 31 42 parsed_2m5v 1
28 1 32 41 32 42 parsed_2m5v 1
29 1 33 41 33 42 parsed_2m5v 1
30 1 34 40 34 41 parsed_2m5v 1
31 1 35 41 35 42 parsed_2m5v 1
32 1 36 41 36 42 parsed_2m5v 1
33 1 37 41 37 42 parsed_2m5v 1
34 1 38 41 38 42 parsed_2m5v 1
35 1 39 40 39 41 parsed_2m5v 1
36 1 40 40 40 41 parsed_2m5v 1
37 1 41 41 41 42 parsed_2m5v 1
38 1 42 41 42 42 parsed_2m5v 1
39 1 43 41 43 42 parsed_2m5v 1
40 1 44 41 44 42 parsed_2m5v 1
41 1 45 41 45 42 parsed_2m5v 1
42 1 46 40 46 41 parsed_2m5v 1
43 1 47 40 47 41 parsed_2m5v 1
44 1 48 41 48 42 parsed_2m5v 1
45 1 49 41 49 42 parsed_2m5v 1
46
;
1
;
50 41 51 41 parsed_2m5v 1
stop_
save_
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