NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
581085 |
2mj6   |
19707 | cing | 2-parsed | STAR | dipolar coupling | 84 |
data_2mj6_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2mj6
_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_2mj6 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2mj6
_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 2mj6 "Master copy" parsed_2mj6
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2mj6
_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 2mj6.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2mj6 1
1 2mj6.mr . . DYANA/DIANA 2 distance NOE simple 1750 parsed_2mj6 1
1 2mj6.mr . . DYANA/DIANA 3 "dipolar coupling" "Not applicable" "Not applicable" 84 parsed_2mj6 1
1 2mj6.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2mj6 1
stop_
save_
save_DYANA/DIANA_dipolar_coupling_3
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2mj6
_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 . . . . . . . . . . . . . . . . 0.82 . . 0.30 . . 2 SER N . 2 SER H parsed_2mj6 1
2 . . . . . . . . . . . . . . . . 0.57 . . 0.30 . . 3 GLU N . 3 GLU H parsed_2mj6 1
3 . . . . . . . . . . . . . . . . 1.22 . . 0.30 . . 4 THR N . 4 THR H parsed_2mj6 1
4 . . . . . . . . . . . . . . . . 1.38 . . 0.30 . . 5 ARG N . 5 ARG H parsed_2mj6 1
5 . . . . . . . . . . . . . . . . 1.47 . . 0.30 . . 6 THR N . 6 THR H parsed_2mj6 1
6 . . . . . . . . . . . . . . . . 1.54 . . 0.30 . . 7 ILE N . 7 ILE H parsed_2mj6 1
7 . . . . . . . . . . . . . . . . 0.17 . . 0.30 . . 8 SER N . 8 SER H parsed_2mj6 1
8 . . . . . . . . . . . . . . . . 1.30 . . 0.30 . . 9 SER N . 9 SER H parsed_2mj6 1
9 . . . . . . . . . . . . . . . . -5.50 . . 0.30 . . 10 THR N . 10 THR H parsed_2mj6 1
10 . . . . . . . . . . . . . . . . -13.54 . . 0.30 . . 11 ALA N . 11 ALA H parsed_2mj6 1
11 . . . . . . . . . . . . . . . . -15.17 . . 0.30 . . 12 GLN N . 12 GLN H parsed_2mj6 1
12 . . . . . . . . . . . . . . . . -10.95 . . 0.30 . . 13 GLU N . 13 GLU H parsed_2mj6 1
13 . . . . . . . . . . . . . . . . -16.47 . . 0.30 . . 14 ARG N . 14 ARG H parsed_2mj6 1
14 . . . . . . . . . . . . . . . . -13.13 . . 0.30 . . 15 VAL N . 15 VAL H parsed_2mj6 1
15 . . . . . . . . . . . . . . . . -15.49 . . 0.30 . . 16 ASP N . 16 ASP H parsed_2mj6 1
16 . . . . . . . . . . . . . . . . -15.09 . . 0.30 . . 17 LEU N . 17 LEU H parsed_2mj6 1
17 . . . . . . . . . . . . . . . . -12.90 . . 0.30 . . 18 GLU N . 18 GLU H parsed_2mj6 1
18 . . . . . . . . . . . . . . . . -13.63 . . 0.30 . . 19 ALA N . 19 ALA H parsed_2mj6 1
19 . . . . . . . . . . . . . . . . -14.44 . . 0.30 . . 20 VAL N . 20 VAL H parsed_2mj6 1
20 . . . . . . . . . . . . . . . . -14.77 . . 0.30 . . 21 ARG N . 21 ARG H parsed_2mj6 1
21 . . . . . . . . . . . . . . . . -12.73 . . 0.30 . . 22 LEU N . 22 LEU H parsed_2mj6 1
22 . . . . . . . . . . . . . . . . -16.70 . . 0.30 . . 23 ALA N . 23 ALA H parsed_2mj6 1
23 . . . . . . . . . . . . . . . . -16.71 . . 0.30 . . 24 SER N . 24 SER H parsed_2mj6 1
24 . . . . . . . . . . . . . . . . -14.29 . . 0.30 . . 25 ILE N . 25 ILE H parsed_2mj6 1
25 . . . . . . . . . . . . . . . . -13.14 . . 0.30 . . 26 VAL N . 26 VAL H parsed_2mj6 1
26 . . . . . . . . . . . . . . . . -15.09 . . 0.30 . . 27 ASP N . 27 ASP H parsed_2mj6 1
27 . . . . . . . . . . . . . . . . -14.92 . . 0.30 . . 28 SER N . 28 SER H parsed_2mj6 1
28 . . . . . . . . . . . . . . . . -13.55 . . 0.30 . . 29 ARG N . 29 ARG H parsed_2mj6 1
29 . . . . . . . . . . . . . . . . -16.21 . . 0.30 . . 30 LEU N . 30 LEU H parsed_2mj6 1
30 . . . . . . . . . . . . . . . . -13.62 . . 0.30 . . 31 ILE N . 31 ILE H parsed_2mj6 1
31 . . . . . . . . . . . . . . . . -13.95 . . 0.30 . . 32 GLY N . 32 GLY H parsed_2mj6 1
32 . . . . . . . . . . . . . . . . -8.11 . . 0.30 . . 33 THR N . 33 THR H parsed_2mj6 1
33 . . . . . . . . . . . . . . . . -7.94 . . 0.30 . . 34 GLY N . 34 GLY H parsed_2mj6 1
34 . . . . . . . . . . . . . . . . 11.52 . . 0.30 . . 35 SER N . 35 SER H parsed_2mj6 1
35 . . . . . . . . . . . . . . . . 5.27 . . 0.30 . . 36 VAL N . 36 VAL H parsed_2mj6 1
36 . . . . . . . . . . . . . . . . 6.57 . . 0.30 . . 37 ASP N . 37 ASP H parsed_2mj6 1
37 . . . . . . . . . . . . . . . . -1.46 . . 0.30 . . 38 GLU N . 38 GLU H parsed_2mj6 1
38 . . . . . . . . . . . . . . . . -12.00 . . 0.30 . . 39 ASP N . 39 ASP H parsed_2mj6 1
39 . . . . . . . . . . . . . . . . -3.48 . . 0.30 . . 41 LEU N . 41 LEU H parsed_2mj6 1
40 . . . . . . . . . . . . . . . . -11.20 . . 0.30 . . 42 ARG N . 42 ARG H parsed_2mj6 1
41 . . . . . . . . . . . . . . . . -8.52 . . 0.30 . . 43 GLU N . 43 GLU H parsed_2mj6 1
42 . . . . . . . . . . . . . . . . 2.20 . . 0.30 . . 44 GLN N . 44 GLN H parsed_2mj6 1
43 . . . . . . . . . . . . . . . . -7.22 . . 0.30 . . 45 ILE N . 45 ILE H parsed_2mj6 1
44 . . . . . . . . . . . . . . . . 3.40 . . 0.30 . . 46 ARG N . 46 ARG H parsed_2mj6 1
45 . . . . . . . . . . . . . . . . 3.98 . . 0.30 . . 47 ASP N . 47 ASP H parsed_2mj6 1
46 . . . . . . . . . . . . . . . . -6.50 . . 0.30 . . 48 ALA N . 48 ALA H parsed_2mj6 1
47 . . . . . . . . . . . . . . . . -7.71 . . 0.30 . . 50 TYR N . 50 TYR H parsed_2mj6 1
48 . . . . . . . . . . . . . . . . -3.72 . . 0.30 . . 51 ALA N . 51 ALA H parsed_2mj6 1
49 . . . . . . . . . . . . . . . . -6.64 . . 0.30 . . 52 VAL N . 52 VAL H parsed_2mj6 1
50 . . . . . . . . . . . . . . . . -2.35 . . 0.30 . . 53 ILE N . 53 ILE H parsed_2mj6 1
51 . . . . . . . . . . . . . . . . -7.86 . . 0.30 . . 54 ARG N . 54 ARG H parsed_2mj6 1
52 . . . . . . . . . . . . . . . . -0.25 . . 0.30 . . 55 ILE N . 55 ILE H parsed_2mj6 1
53 . . . . . . . . . . . . . . . . -1.39 . . 0.30 . . 57 GLY N . 57 GLY H parsed_2mj6 1
54 . . . . . . . . . . . . . . . . 6.09 . . 0.30 . . 60 VAL N . 60 VAL H parsed_2mj6 1
55 . . . . . . . . . . . . . . . . -0.65 . . 0.30 . . 61 VAL N . 61 VAL H parsed_2mj6 1
56 . . . . . . . . . . . . . . . . -5.68 . . 0.30 . . 62 GLU N . 62 GLU H parsed_2mj6 1
57 . . . . . . . . . . . . . . . . -2.44 . . 0.30 . . 63 VAL N . 63 VAL H parsed_2mj6 1
58 . . . . . . . . . . . . . . . . -6.09 . . 0.30 . . 64 GLY N . 64 GLY H parsed_2mj6 1
59 . . . . . . . . . . . . . . . . -0.16 . . 0.30 . . 65 THR N . 65 THR H parsed_2mj6 1
60 . . . . . . . . . . . . . . . . -7.22 . . 0.30 . . 66 LYS N . 66 LYS H parsed_2mj6 1
61 . . . . . . . . . . . . . . . . 13.79 . . 0.30 . . 68 THR N . 68 THR H parsed_2mj6 1
62 . . . . . . . . . . . . . . . . 5.84 . . 0.30 . . 69 GLY N . 69 GLY H parsed_2mj6 1
63 . . . . . . . . . . . . . . . . 0.16 . . 0.30 . . 70 ASP N . 70 ASP H parsed_2mj6 1
64 . . . . . . . . . . . . . . . . 16.80 . . 0.30 . . 71 VAL N . 71 VAL H parsed_2mj6 1
65 . . . . . . . . . . . . . . . . 11.43 . . 0.30 . . 72 LEU N . 72 LEU H parsed_2mj6 1
66 . . . . . . . . . . . . . . . . -1.30 . . 0.30 . . 73 GLN N . 73 GLN H parsed_2mj6 1
67 . . . . . . . . . . . . . . . . -1.53 . . 0.30 . . 74 GLY N . 74 GLY H parsed_2mj6 1
68 . . . . . . . . . . . . . . . . -8.11 . . 0.30 . . 75 ARG N . 75 ARG H parsed_2mj6 1
69 . . . . . . . . . . . . . . . . -4.70 . . 0.30 . . 76 ALA N . 76 ALA H parsed_2mj6 1
70 . . . . . . . . . . . . . . . . -5.67 . . 0.30 . . 77 THR N . 77 THR H parsed_2mj6 1
71 . . . . . . . . . . . . . . . . -2.10 . . 0.30 . . 78 GLY N . 78 GLY H parsed_2mj6 1
72 . . . . . . . . . . . . . . . . 18.17 . . 0.30 . . 79 GLU N . 79 GLU H parsed_2mj6 1
73 . . . . . . . . . . . . . . . . 4.62 . . 0.30 . . 80 GLU N . 80 GLU H parsed_2mj6 1
74 . . . . . . . . . . . . . . . . -6.08 . . 0.30 . . 81 GLY N . 81 GLY H parsed_2mj6 1
75 . . . . . . . . . . . . . . . . 5.77 . . 0.30 . . 82 GLU N . 82 GLU H parsed_2mj6 1
76 . . . . . . . . . . . . . . . . -6.33 . . 0.30 . . 83 THR N . 83 THR H parsed_2mj6 1
77 . . . . . . . . . . . . . . . . -2.19 . . 0.30 . . 84 VAL N . 84 VAL H parsed_2mj6 1
78 . . . . . . . . . . . . . . . . -6.41 . . 0.30 . . 85 LEU N . 85 LEU H parsed_2mj6 1
79 . . . . . . . . . . . . . . . . 0.40 . . 0.30 . . 86 VAL N . 86 VAL H parsed_2mj6 1
80 . . . . . . . . . . . . . . . . 0.32 . . 0.30 . . 87 GLU N . 87 GLU H parsed_2mj6 1
81 . . . . . . . . . . . . . . . . 9.57 . . 0.30 . . 88 GLU N . 88 GLU H parsed_2mj6 1
82 . . . . . . . . . . . . . . . . -5.11 . . 0.30 . . 90 ARG N . 90 ARG H parsed_2mj6 1
83 . . . . . . . . . . . . . . . . 3.6 . . . . . 5 ILE QG1 . . . . parsed_2mj6 1
84 . . . . . . . . . . . . . . . . 4.4 . . . . . 54 ARG H . 54 ARG QG parsed_2mj6 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 56 parsed_2mj6 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 6.838 0.579 1000
# First atom Second atom RDC Error Weight Orientation
;
2 11 3 64 parsed_2mj6 1
2 1 4 53 4 54 parsed_2mj6 1
3 1 5 53 5 54 parsed_2mj6 1
4 1 6 53 6 54 parsed_2mj6 1
5 1 7 53 7 54 parsed_2mj6 1
6 1 8 53 8 54 parsed_2mj6 1
7 1 9 53 9 54 parsed_2mj6 1
8 1 10 53 10 54 parsed_2mj6 1
9 1 11 53 11 54 parsed_2mj6 1
10 1 12 53 12 54 parsed_2mj6 1
11 1 13 53 13 54 parsed_2mj6 1
12 1 14 53 14 54 parsed_2mj6 1
13 1 15 53 15 54 parsed_2mj6 1
14 1 16 53 16 54 parsed_2mj6 1
15 1 17 53 17 54 parsed_2mj6 1
16 1 18 53 18 54 parsed_2mj6 1
17 1 19 53 19 54 parsed_2mj6 1
18 1 20 53 20 54 parsed_2mj6 1
19 1 21 53 21 54 parsed_2mj6 1
20 1 22 53 22 54 parsed_2mj6 1
21 1 23 53 23 54 parsed_2mj6 1
22 1 24 53 24 54 parsed_2mj6 1
23 1 25 53 25 54 parsed_2mj6 1
24 1 26 53 26 54 parsed_2mj6 1
25 1 27 53 27 54 parsed_2mj6 1
26 1 28 53 28 54 parsed_2mj6 1
27 1 29 53 29 54 parsed_2mj6 1
28 1 30 53 30 54 parsed_2mj6 1
29 1 31 53 31 54 parsed_2mj6 1
30 1 32 53 32 54 parsed_2mj6 1
31 1 33 53 33 54 parsed_2mj6 1
32 1 34 53 34 54 parsed_2mj6 1
33 1 35 53 35 54 parsed_2mj6 1
34 1 36 53 36 54 parsed_2mj6 1
35 1 37 53 37 54 parsed_2mj6 1
36 1 38 53 38 54 parsed_2mj6 1
37 1 39 53 39 54 parsed_2mj6 1
38 1 40 53 40 54 parsed_2mj6 1
39 1 41 53 41 54 parsed_2mj6 1
40 1 42 53 42 54 parsed_2mj6 1
41 1 43 53 43 54 parsed_2mj6 1
42 1 44 53 44 54 parsed_2mj6 1
43 1 45 53 45 54 parsed_2mj6 1
44 1 46 53 46 54 parsed_2mj6 1
45 1 47 53 47 54 parsed_2mj6 1
46 1 48 53 48 54 parsed_2mj6 1
47 1 49 53 49 54 parsed_2mj6 1
48 1 50 53 50 54 parsed_2mj6 1
49 1 51 53 51 54 parsed_2mj6 1
50 1 52 53 52 54 parsed_2mj6 1
51 1 53 53 53 54 parsed_2mj6 1
52 1 54 53 54 54 parsed_2mj6 1
53 1 55 53 55 54 parsed_2mj6 1
54 1 56 53 56 54 parsed_2mj6 1
55 1 57 53 57 54 parsed_2mj6 1
56 1 58 53 58 54 parsed_2mj6 1
57 1 59 53 59 54 parsed_2mj6 1
58 1 60 53 60 54 parsed_2mj6 1
59 1 61 53 61 54 parsed_2mj6 1
60 1 62 53 62 54 parsed_2mj6 1
61 1 63 53 63 54 parsed_2mj6 1
62 1 64 53 64 54 parsed_2mj6 1
63 1 65 53 65 54 parsed_2mj6 1
64 1 66 53 66 54 parsed_2mj6 1
65 1 67 53 67 54 parsed_2mj6 1
66 1 68 53 68 54 parsed_2mj6 1
67 1 69 53 69 54 parsed_2mj6 1
68 1 70 53 70 54 parsed_2mj6 1
69 1 71 53 71 54 parsed_2mj6 1
70 1 72 53 72 54 parsed_2mj6 1
71 1 73 53 73 54 parsed_2mj6 1
72 1 74 53 74 54 parsed_2mj6 1
73 1 75 53 75 54 parsed_2mj6 1
74 1 76 53 76 54 parsed_2mj6 1
75 1 77 53 77 54 parsed_2mj6 1
76 1 78 53 78 54 parsed_2mj6 1
77 1 79 53 79 54 parsed_2mj6 1
78 1 80 53 80 54 parsed_2mj6 1
79 1 81 53 81 54 parsed_2mj6 1
80 1 82 53 82 54 parsed_2mj6 1
81 1 83 53 83 54 parsed_2mj6 1
82 1 84 53 84 54 parsed_2mj6 1
83 1 85 53 85 54 parsed_2mj6 1
84 "54 ARG H " 90 3 90 14 parsed_2mj6 1
stop_
save_
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