NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
560036 |
2rsu   |
11505 | cing | 2-parsed | STAR | dipolar coupling | 67 |
data_2rsu_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2rsu
_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_2rsu 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2rsu
_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 2rsu "Master copy" parsed_2rsu
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2rsu
_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 2rsu.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2rsu 1
1 2rsu.mr . . DYANA/DIANA 2 "dihedral angle" "Not applicable" "Not applicable" 116 parsed_2rsu 1
1 2rsu.mr . . DYANA/DIANA 3 distance NOE simple 1455 parsed_2rsu 1
1 2rsu.mr . . DYANA/DIANA 4 "dipolar coupling" "Not applicable" "Not applicable" 67 parsed_2rsu 1
1 2rsu.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2rsu 1
stop_
save_
save_DYANA/DIANA_dipolar_coupling_4
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2rsu
_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 . . . . . . . . . . . . . . . . -8.47111796 . . 0.5 . . 2 GLN H . 2 GLN N parsed_2rsu 1
2 . . . . . . . . . . . . . . . . 9.004516183 . . 0.5 . . 3 ILE H . 3 ILE N parsed_2rsu 1
3 . . . . . . . . . . . . . . . . 1.359952596 . . 0.5 . . 4 PHE H . 4 PHE N parsed_2rsu 1
4 . . . . . . . . . . . . . . . . 0.402025343 . . 0.5 . . 5 VAL H . 5 VAL N parsed_2rsu 1
5 . . . . . . . . . . . . . . . . -3.458269437 . . 0.5 . . 6 LYS H . 6 LYS N parsed_2rsu 1
6 . . . . . . . . . . . . . . . . -5.458056618 . . 0.5 . . 7 THR H . 7 THR N parsed_2rsu 1
7 . . . . . . . . . . . . . . . . -4.394909418 . . 0.5 . . 8 LEU H . 8 LEU N parsed_2rsu 1
8 . . . . . . . . . . . . . . . . 8.054495631 . . 0.5 . . 9 THR H . 9 THR N parsed_2rsu 1
9 . . . . . . . . . . . . . . . . -4.347469211 . . 0.5 . . 10 GLY H . 10 GLY N parsed_2rsu 1
10 . . . . . . . . . . . . . . . . -9.228944854 . . 0.5 . . 11 LYS H . 11 LYS N parsed_2rsu 1
11 . . . . . . . . . . . . . . . . -4.751319177 . . 0.5 . . 12 THR H . 12 THR N parsed_2rsu 1
12 . . . . . . . . . . . . . . . . -1.150120912 . . 0.5 . . 13 ILE H . 13 ILE N parsed_2rsu 1
13 . . . . . . . . . . . . . . . . 1.614791656 . . 0.5 . . 14 THR H . 14 THR N parsed_2rsu 1
14 . . . . . . . . . . . . . . . . 8.132954434 . . 0.5 . . 15 LEU H . 15 LEU N parsed_2rsu 1
15 . . . . . . . . . . . . . . . . 2.361062602 . . 0.5 . . 16 GLU H . 16 GLU N parsed_2rsu 1
16 . . . . . . . . . . . . . . . . -3.267900402 . . 0.5 . . 17 VAL H . 17 VAL N parsed_2rsu 1
17 . . . . . . . . . . . . . . . . -9.60542547 . . 0.5 . . 18 GLU H . 18 GLU N parsed_2rsu 1
18 . . . . . . . . . . . . . . . . -0.080283427 . . 0.5 . . 20 SER H . 20 SER N parsed_2rsu 1
19 . . . . . . . . . . . . . . . . -4.913710655 . . 0.5 . . 21 ASP H . 21 ASP N parsed_2rsu 1
20 . . . . . . . . . . . . . . . . 14.73869913 . . 0.5 . . 22 THR H . 22 THR N parsed_2rsu 1
21 . . . . . . . . . . . . . . . . -2.820259476 . . 0.5 . . 23 ILE H . 23 ILE N parsed_2rsu 1
22 . . . . . . . . . . . . . . . . -6.859367343 . . 0.5 . . 24 GLU H . 24 GLU N parsed_2rsu 1
23 . . . . . . . . . . . . . . . . -5.051165613 . . 0.5 . . 25 ASN H . 25 ASN N parsed_2rsu 1
24 . . . . . . . . . . . . . . . . -2.220566605 . . 0.5 . . 26 VAL H . 26 VAL N parsed_2rsu 1
25 . . . . . . . . . . . . . . . . -5.771891832 . . 0.5 . . 27 LYS H . 27 LYS N parsed_2rsu 1
26 . . . . . . . . . . . . . . . . -4.186902358 . . 0.5 . . 28 ALA H . 28 ALA N parsed_2rsu 1
27 . . . . . . . . . . . . . . . . -0.954886215 . . 0.5 . . 29 LYS H . 29 LYS N parsed_2rsu 1
28 . . . . . . . . . . . . . . . . -4.62177092 . . 0.5 . . 30 ILE H . 30 ILE N parsed_2rsu 1
29 . . . . . . . . . . . . . . . . -4.211230669 . . 0.5 . . 31 GLN H . 31 GLN N parsed_2rsu 1
30 . . . . . . . . . . . . . . . . -5.059072314 . . 0.5 . . 32 ASP H . 32 ASP N parsed_2rsu 1
31 . . . . . . . . . . . . . . . . -2.047835595 . . 0.5 . . 33 LYS H . 33 LYS N parsed_2rsu 1
32 . . . . . . . . . . . . . . . . -4.960542654 . . 0.5 . . 34 GLU H . 34 GLU N parsed_2rsu 1
33 . . . . . . . . . . . . . . . . 1.149512704 . . 0.5 . . 35 GLY H . 35 GLY N parsed_2rsu 1
34 . . . . . . . . . . . . . . . . -5.366217243 . . 0.5 . . 36 ILE H . 36 ILE N parsed_2rsu 1
35 . . . . . . . . . . . . . . . . 5.892316973 . . 0.5 . . 39 ASP H . 39 ASP N parsed_2rsu 1
36 . . . . . . . . . . . . . . . . 5.023796263 . . 0.5 . . 40 GLN H . 40 GLN N parsed_2rsu 1
37 . . . . . . . . . . . . . . . . 9.36153415 . . 0.5 . . 41 ASN H . 41 ASN N parsed_2rsu 1
38 . . . . . . . . . . . . . . . . -1.060106161 . . 0.5 . . 42 ARG H . 42 ARG N parsed_2rsu 1
39 . . . . . . . . . . . . . . . . -6.017607775 . . 0.5 . . 43 LEU H . 43 LEU N parsed_2rsu 1
40 . . . . . . . . . . . . . . . . -3.064150796 . . 0.5 . . 44 ILE H . 44 ILE N parsed_2rsu 1
41 . . . . . . . . . . . . . . . . -6.682987087 . . 0.5 . . 45 PHE H . 45 PHE N parsed_2rsu 1
42 . . . . . . . . . . . . . . . . -5.861906584 . . 0.5 . . 46 ALA H . 46 ALA N parsed_2rsu 1
43 . . . . . . . . . . . . . . . . -2.946158486 . . 0.5 . . 47 GLY H . 47 GLY N parsed_2rsu 1
44 . . . . . . . . . . . . . . . . -4.776863904 . . 0.5 . . 48 LYS H . 48 LYS N parsed_2rsu 1
45 . . . . . . . . . . . . . . . . 1.437194984 . . 0.5 . . 49 GLN H . 49 GLN N parsed_2rsu 1
46 . . . . . . . . . . . . . . . . -8.801374784 . . 0.5 . . 50 LEU H . 50 LEU N parsed_2rsu 1
47 . . . . . . . . . . . . . . . . -5.835145441 . . 0.5 . . 51 GLU H . 51 GLU N parsed_2rsu 1
48 . . . . . . . . . . . . . . . . -5.857649129 . . 0.5 . . 52 ASP H . 52 ASP N parsed_2rsu 1
49 . . . . . . . . . . . . . . . . 0.801617854 . . 0.5 . . 54 ARG H . 54 ARG N parsed_2rsu 1
50 . . . . . . . . . . . . . . . . -0.111302024 . . 0.5 . . 55 THR H . 55 THR N parsed_2rsu 1
51 . . . . . . . . . . . . . . . . 13.76799952 . . 0.5 . . 56 LEU H . 56 LEU N parsed_2rsu 1
52 . . . . . . . . . . . . . . . . 19.90907347 . . 0.5 . . 57 SER H . 57 SER N parsed_2rsu 1
53 . . . . . . . . . . . . . . . . 6.757188436 . . 0.5 . . 58 ASP H . 58 ASP N parsed_2rsu 1
54 . . . . . . . . . . . . . . . . 10.87536331 . . 0.5 . . 59 TYR H . 59 TYR N parsed_2rsu 1
55 . . . . . . . . . . . . . . . . 9.922909931 . . 0.5 . . 60 ASN H . 60 ASN N parsed_2rsu 1
56 . . . . . . . . . . . . . . . . 1.845302405 . . 0.5 . . 61 ILE H . 61 ILE N parsed_2rsu 1
57 . . . . . . . . . . . . . . . . 12.25173752 . . 0.5 . . 62 GLN H . 62 GLN N parsed_2rsu 1
58 . . . . . . . . . . . . . . . . -3.289187674 . . 0.5 . . 63 LYS H . 63 LYS N parsed_2rsu 1
59 . . . . . . . . . . . . . . . . 11.4762726 . . 0.5 . . 64 GLU H . 64 GLU N parsed_2rsu 1
60 . . . . . . . . . . . . . . . . 8.685815306 . . 0.5 . . 65 SER H . 65 SER N parsed_2rsu 1
61 . . . . . . . . . . . . . . . . 10.1625438 . . 0.5 . . 66 THR H . 66 THR N parsed_2rsu 1
62 . . . . . . . . . . . . . . . . 6.08755167 . . 0.5 . . 67 LEU H . 67 LEU N parsed_2rsu 1
63 . . . . . . . . . . . . . . . . -4.60534931 . . 0.5 . . 68 HIS H . 68 HIS N parsed_2rsu 1
64 . . . . . . . . . . . . . . . . -8.957684184 . . 0.5 . . 69 LEU H . 69 LEU N parsed_2rsu 1
65 . . . . . . . . . . . . . . . . -1.561269371 . . 0.5 . . 70 VAL H . 70 VAL N parsed_2rsu 1
66 . . . . . . . . . . . . . . . . 7.078930351 . . 0.5 . . 71 LEU H . 71 LEU N parsed_2rsu 1
67 . . . . . . . . . . . . . . . . 10.61687501 . . 0.5 . . 72 ARG H . 72 ARG N parsed_2rsu 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 58 parsed_2rsu 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 5.013 0.4101 100
# First atom Second atom RDC Error Weight Orientation
;
2 2 3 62 parsed_2rsu 1
2 1 4 35 4 36 parsed_2rsu 1
3 1 5 35 5 36 parsed_2rsu 1
4 1 6 35 6 36 parsed_2rsu 1
5 1 7 35 7 36 parsed_2rsu 1
6 1 8 36 8 37 parsed_2rsu 1
7 1 9 36 9 37 parsed_2rsu 1
8 1 10 36 10 37 parsed_2rsu 1
9 1 11 35 11 36 parsed_2rsu 1
10 1 12 38 12 39 parsed_2rsu 1
11 1 13 38 13 39 parsed_2rsu 1
12 1 14 38 14 39 parsed_2rsu 1
13 1 15 38 15 39 parsed_2rsu 1
14 1 16 37 16 38 parsed_2rsu 1
15 1 17 37 17 38 parsed_2rsu 1
16 1 18 37 18 38 parsed_2rsu 1
17 1 19 38 19 39 parsed_2rsu 1
18 1 20 37 20 38 parsed_2rsu 1
19 1 21 38 21 39 parsed_2rsu 1
20 1 22 38 22 39 parsed_2rsu 1
21 1 23 37 23 38 parsed_2rsu 1
22 1 24 38 24 39 parsed_2rsu 1
23 1 25 38 25 39 parsed_2rsu 1
24 1 26 38 26 39 parsed_2rsu 1
25 1 27 38 27 39 parsed_2rsu 1
26 1 28 38 28 39 parsed_2rsu 1
27 1 29 38 29 39 parsed_2rsu 1
28 1 30 38 30 39 parsed_2rsu 1
29 1 31 37 31 38 parsed_2rsu 1
30 1 32 38 32 39 parsed_2rsu 1
31 1 33 38 33 39 parsed_2rsu 1
32 1 34 38 34 39 parsed_2rsu 1
33 1 35 38 35 39 parsed_2rsu 1
34 1 36 37 36 38 parsed_2rsu 1
35 1 37 38 37 39 parsed_2rsu 1
36 1 38 37 38 38 parsed_2rsu 1
37 1 39 37 39 38 parsed_2rsu 1
38 1 40 36 40 37 parsed_2rsu 1
39 1 41 38 41 39 parsed_2rsu 1
40 1 42 38 42 39 parsed_2rsu 1
41 1 43 38 43 39 parsed_2rsu 1
42 1 44 38 44 39 parsed_2rsu 1
43 1 45 38 45 39 parsed_2rsu 1
44 1 46 38 46 39 parsed_2rsu 1
45 1 47 38 47 39 parsed_2rsu 1
46 1 48 37 48 38 parsed_2rsu 1
47 1 49 38 49 39 parsed_2rsu 1
48 1 50 38 50 39 parsed_2rsu 1
49 1 51 38 51 39 parsed_2rsu 1
50 1 52 37 52 38 parsed_2rsu 1
51 1 53 38 53 39 parsed_2rsu 1
52 1 54 37 54 38 parsed_2rsu 1
53 1 55 37 55 38 parsed_2rsu 1
54 1 56 37 56 38 parsed_2rsu 1
55 1 57 37 57 38 parsed_2rsu 1
56 1 58 37 58 38 parsed_2rsu 1
57 1 59 37 59 38 parsed_2rsu 1
58 1 60 37 60 38 parsed_2rsu 1
59 1 61 38 61 39 parsed_2rsu 1
60 1 62 36 62 37 parsed_2rsu 1
61 1 63 37 63 38 parsed_2rsu 1
62 1 64 36 64 37 parsed_2rsu 1
63 1 65 36 65 37 parsed_2rsu 1
64 1 66 37 66 38 parsed_2rsu 1
65 1 67 38 67 39 parsed_2rsu 1
66 1 68 38 68 39 parsed_2rsu 1
67 1 69 37 69 38 parsed_2rsu 1
68
;
1
;
70 37 71 1 parsed_2rsu 1
stop_
save_
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