NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
591115 |
2mq6   |
25016 | cing | 2-parsed | STAR | dipolar coupling | 78 |
data_2mq6_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2mq6
_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_2mq6 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2mq6
_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 2mq6 "Master copy" parsed_2mq6
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2mq6
_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 2mq6.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2mq6 1
1 2mq6.mr . . DYANA/DIANA 2 "dihedral angle" "Not applicable" "Not applicable" 236 parsed_2mq6 1
1 2mq6.mr . . DYANA/DIANA 3 "dipolar coupling" "Not applicable" "Not applicable" 78 parsed_2mq6 1
1 2mq6.mr . . DYANA/DIANA 4 distance "hydrogen bond" simple 0 parsed_2mq6 1
1 2mq6.mr . . DYANA/DIANA 5 distance NOE simple 0 parsed_2mq6 1
1 2mq6.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2mq6 1
stop_
save_
save_DYANA/DIANA_dipolar_coupling_3
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2mq6
_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 . . . . . . . . . . . . . . . . 5.6011 . . 0.500 . . 10 ARG H . 10 ARG N parsed_2mq6 1
2 . . . . . . . . . . . . . . . . -8.5789 . . 0.500 . . 12 VAL H . 12 VAL N parsed_2mq6 1
3 . . . . . . . . . . . . . . . . -7.2318 . . 0.500 . . 13 GLU H . 13 GLU N parsed_2mq6 1
4 . . . . . . . . . . . . . . . . -19.8520 . . 0.500 . . 18 LYS H . 18 LYS N parsed_2mq6 1
5 . . . . . . . . . . . . . . . . 0.2836 . . 0.500 . . 19 LYS H . 19 LYS N parsed_2mq6 1
6 . . . . . . . . . . . . . . . . -7.3027 . . 0.500 . . 21 ILE H . 21 ILE N parsed_2mq6 1
7 . . . . . . . . . . . . . . . . -14.0382 . . 0.500 . . 22 LYS H . 22 LYS N parsed_2mq6 1
8 . . . . . . . . . . . . . . . . 8.5789 . . 0.500 . . 24 LEU H . 24 LEU N parsed_2mq6 1
9 . . . . . . . . . . . . . . . . 2.7651 . . 0.500 . . 25 GLU H . 25 GLU N parsed_2mq6 1
10 . . . . . . . . . . . . . . . . -22.2626 . . 0.500 . . 26 ALA H . 26 ALA N parsed_2mq6 1
11 . . . . . . . . . . . . . . . . -7.4445 . . 0.500 . . 27 ALA H . 27 ALA N parsed_2mq6 1
12 . . . . . . . . . . . . . . . . -0.3545 . . 0.500 . . 29 GLY H . 29 GLY N parsed_2mq6 1
13 . . . . . . . . . . . . . . . . -6.4519 . . 0.500 . . 30 ASN H . 30 ASN N parsed_2mq6 1
14 . . . . . . . . . . . . . . . . -9.7842 . . 0.500 . . 34 MET H . 34 MET N parsed_2mq6 1
15 . . . . . . . . . . . . . . . . -9.5715 . . 0.500 . . 35 ILE H . 35 ILE N parsed_2mq6 1
16 . . . . . . . . . . . . . . . . -20.6319 . . 0.500 . . 37 LEU H . 37 LEU N parsed_2mq6 1
17 . . . . . . . . . . . . . . . . -21.9790 . . 0.500 . . 39 ILE H . 39 ILE N parsed_2mq6 1
18 . . . . . . . . . . . . . . . . -7.7281 . . 0.500 . . 42 LYS H . 42 LYS N parsed_2mq6 1
19 . . . . . . . . . . . . . . . . -12.0530 . . 0.500 . . 43 ASP H . 43 ASP N parsed_2mq6 1
20 . . . . . . . . . . . . . . . . -22.1208 . . 0.500 . . 44 GLN H . 44 GLN N parsed_2mq6 1
21 . . . . . . . . . . . . . . . . -17.9377 . . 0.500 . . 45 ILE H . 45 ILE N parsed_2mq6 1
22 . . . . . . . . . . . . . . . . -13.4001 . . 0.500 . . 46 SER H . 46 SER N parsed_2mq6 1
23 . . . . . . . . . . . . . . . . 9.9969 . . 0.500 . . 47 ARG H . 47 ARG N parsed_2mq6 1
24 . . . . . . . . . . . . . . . . -16.4488 . . 0.500 . . 48 VAL H . 48 VAL N parsed_2mq6 1
25 . . . . . . . . . . . . . . . . -17.0869 . . 0.500 . . 49 ALA H . 49 ALA N parsed_2mq6 1
26 . . . . . . . . . . . . . . . . -8.1535 . . 0.500 . . 52 LEU H . 52 LEU N parsed_2mq6 1
27 . . . . . . . . . . . . . . . . 12.1239 . . 0.500 . . 53 ALA H . 53 ALA N parsed_2mq6 1
28 . . . . . . . . . . . . . . . . 4.5376 . . 0.500 . . 54 ASP H . 54 ASP N parsed_2mq6 1
29 . . . . . . . . . . . . . . . . -11.2731 . . 0.500 . . 56 PHE H . 56 PHE N parsed_2mq6 1
30 . . . . . . . . . . . . . . . . 0.7799 . . 0.500 . . 57 GLY H . 57 GLY N parsed_2mq6 1
31 . . . . . . . . . . . . . . . . -18.2213 . . 0.500 . . 58 THR H . 58 THR N parsed_2mq6 1
32 . . . . . . . . . . . . . . . . -15.8107 . . 0.500 . . 62 ILE H . 62 ILE N parsed_2mq6 1
33 . . . . . . . . . . . . . . . . 15.2435 . . 0.500 . . 64 SER H . 64 SER N parsed_2mq6 1
34 . . . . . . . . . . . . . . . . -17.6451 . . 0.500 . . 66 VAL H . 66 VAL N parsed_2mq6 1
35 . . . . . . . . . . . . . . . . 8.5789 . . 0.500 . . 67 ASN H . 67 ASN N parsed_2mq6 1
36 . . . . . . . . . . . . . . . . -4.8921 . . 0.500 . . 68 ARG H . 68 ARG N parsed_2mq6 1
37 . . . . . . . . . . . . . . . . -21.5536 . . 0.500 . . 70 SER H . 70 SER N parsed_2mq6 1
38 . . . . . . . . . . . . . . . . -24.8150 . . 0.500 . . 71 VAL H . 71 VAL N parsed_2mq6 1
39 . . . . . . . . . . . . . . . . -10.6350 . . 0.500 . . 72 LEU H . 72 LEU N parsed_2mq6 1
40 . . . . . . . . . . . . . . . . -18.8594 . . 0.500 . . 73 GLY H . 73 GLY N parsed_2mq6 1
41 . . . . . . . . . . . . . . . . -11.7694 . . 0.500 . . 75 ILE H . 75 ILE N parsed_2mq6 1
42 . . . . . . . . . . . . . . . . -22.8298 . . 0.500 . . 77 SER H . 77 SER N parsed_2mq6 1
43 . . . . . . . . . . . . . . . . -9.3588 . . 0.500 . . 79 GLN H . 79 GLN N parsed_2mq6 1
44 . . . . . . . . . . . . . . . . 4.6794 . . 0.500 . . 80 GLN H . 80 GLN N parsed_2mq6 1
45 . . . . . . . . . . . . . . . . -20.1356 . . 0.500 . . 81 ARG H . 81 ARG N parsed_2mq6 1
46 . . . . . . . . . . . . . . . . -9.2879 . . 0.500 . . 83 LYS H . 83 LYS N parsed_2mq6 1
47 . . . . . . . . . . . . . . . . -14.0382 . . 0.500 . . 84 LEU H . 84 LEU N parsed_2mq6 1
48 . . . . . . . . . . . . . . . . -14.6054 . . 0.500 . . 85 TYR H . 85 TYR N parsed_2mq6 1
49 . . . . . . . . . . . . . . . . -13.4710 . . 0.500 . . 86 ASN H . 86 ASN N parsed_2mq6 1
50 . . . . . . . . . . . . . . . . -19.2139 . . 0.500 . . 87 LYS H . 87 LYS N parsed_2mq6 1
51 . . . . . . . . . . . . . . . . -17.2287 . . 0.500 . . 88 VAL H . 88 VAL N parsed_2mq6 1
52 . . . . . . . . . . . . . . . . -5.5302 . . 0.500 . . 91 ASN H . 91 ASN N parsed_2mq6 1
53 . . . . . . . . . . . . . . . . -10.5641 . . 0.500 . . 92 GLY H . 92 GLY N parsed_2mq6 1
54 . . . . . . . . . . . . . . . . -19.8520 . . 0.500 . . 93 LEU H . 93 LEU N parsed_2mq6 1
55 . . . . . . . . . . . . . . . . -25.5240 . . 0.500 . . 94 VAL H . 94 VAL N parsed_2mq6 1
56 . . . . . . . . . . . . . . . . -20.9155 . . 0.500 . . 96 TYR H . 96 TYR N parsed_2mq6 1
57 . . . . . . . . . . . . . . . . -12.1239 . . 0.500 . . 97 CYS H . 97 CYS N parsed_2mq6 1
58 . . . . . . . . . . . . . . . . 20.7028 . . 0.500 . . 101 VAL H . 101 VAL N parsed_2mq6 1
59 . . . . . . . . . . . . . . . . 4.4667 . . 0.500 . . 103 GLU H . 103 GLU N parsed_2mq6 1
60 . . . . . . . . . . . . . . . . -4.7503 . . 0.500 . . 104 GLU H . 104 GLU N parsed_2mq6 1
61 . . . . . . . . . . . . . . . . 4.7503 . . 0.500 . . 108 LYS H . 108 LYS N parsed_2mq6 1
62 . . . . . . . . . . . . . . . . 2.9069 . . 0.500 . . 109 LYS H . 109 LYS N parsed_2mq6 1
63 . . . . . . . . . . . . . . . . -9.1461 . . 0.500 . . 110 VAL H . 110 VAL N parsed_2mq6 1
64 . . . . . . . . . . . . . . . . -9.1461 . . 0.500 . . 112 ILE H . 112 ILE N parsed_2mq6 1
65 . . . . . . . . . . . . . . . . 0.5672 . . 0.500 . . 113 ASP H . 113 ASP N parsed_2mq6 1
66 . . . . . . . . . . . . . . . . -20.7028 . . 0.500 . . 114 PHE H . 114 PHE N parsed_2mq6 1
67 . . . . . . . . . . . . . . . . -16.9451 . . 0.500 . . 115 GLU H . 115 GLU N parsed_2mq6 1
68 . . . . . . . . . . . . . . . . 7.5863 . . 0.500 . . 120 ILE H . 120 ILE N parsed_2mq6 1
69 . . . . . . . . . . . . . . . . 21.7663 . . 0.500 . . 121 ASN H . 121 ASN N parsed_2mq6 1
70 . . . . . . . . . . . . . . . . -10.5641 . . 0.500 . . 122 THR H . 122 THR N parsed_2mq6 1
71 . . . . . . . . . . . . . . . . -4.7503 . . 0.500 . . 123 SER H . 123 SER N parsed_2mq6 1
72 . . . . . . . . . . . . . . . . -14.2509 . . 0.500 . . 125 PHE H . 125 PHE N parsed_2mq6 1
73 . . . . . . . . . . . . . . . . -24.1060 . . 0.500 . . 126 LEU H . 126 LEU N parsed_2mq6 1
74 . . . . . . . . . . . . . . . . 1.6307 . . 0.500 . . 127 CYS H . 127 CYS N parsed_2mq6 1
75 . . . . . . . . . . . . . . . . -20.3483 . . 0.500 . . 128 ASP H . 128 ASP N parsed_2mq6 1
76 . . . . . . . . . . . . . . . . 4.6794 . . 0.500 . . 129 ASN H . 129 ASN N parsed_2mq6 1
77 . . . . . . . . . . . . . . . . -17.2287 . . 0.500 . . 130 LYS H . 130 LYS N parsed_2mq6 1
78 . . . . . . . . . . . . . . . . -14.6054 . . 0.500 . . 131 PHE H . 131 PHE N parsed_2mq6 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_2mq6 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 -12.7572 0.4900 360
# First atom Second atom RDC Error Weight Orientation
;
2 6 3 73 parsed_2mq6 1
2 1 4 63 4 64 parsed_2mq6 1
3 1 5 63 5 64 parsed_2mq6 1
4 1 6 63 6 64 parsed_2mq6 1
5 1 7 63 7 64 parsed_2mq6 1
6 1 8 63 8 64 parsed_2mq6 1
7 1 9 63 9 64 parsed_2mq6 1
8 1 10 63 10 64 parsed_2mq6 1
9 1 11 63 11 64 parsed_2mq6 1
10 1 12 63 12 64 parsed_2mq6 1
11 1 13 63 13 64 parsed_2mq6 1
12 1 14 63 14 64 parsed_2mq6 1
13 1 15 63 15 64 parsed_2mq6 1
14 1 16 63 16 64 parsed_2mq6 1
15 1 17 63 17 64 parsed_2mq6 1
16 1 18 63 18 64 parsed_2mq6 1
17 1 19 63 19 64 parsed_2mq6 1
18 1 20 63 20 64 parsed_2mq6 1
19 1 21 63 21 64 parsed_2mq6 1
20 1 22 63 22 64 parsed_2mq6 1
21 1 23 63 23 64 parsed_2mq6 1
22 1 24 63 24 64 parsed_2mq6 1
23 1 25 63 25 64 parsed_2mq6 1
24 1 26 63 26 64 parsed_2mq6 1
25 1 27 63 27 64 parsed_2mq6 1
26 1 28 63 28 64 parsed_2mq6 1
27 1 29 63 29 64 parsed_2mq6 1
28 1 30 63 30 64 parsed_2mq6 1
29 1 31 63 31 64 parsed_2mq6 1
30 1 32 63 32 64 parsed_2mq6 1
31 1 33 63 33 64 parsed_2mq6 1
32 1 34 63 34 64 parsed_2mq6 1
33 1 35 63 35 64 parsed_2mq6 1
34 1 36 63 36 64 parsed_2mq6 1
35 1 37 63 37 64 parsed_2mq6 1
36 1 38 63 38 64 parsed_2mq6 1
37 1 39 63 39 64 parsed_2mq6 1
38 1 40 63 40 64 parsed_2mq6 1
39 1 41 63 41 64 parsed_2mq6 1
40 1 42 63 42 64 parsed_2mq6 1
41 1 43 63 43 64 parsed_2mq6 1
42 1 44 63 44 64 parsed_2mq6 1
43 1 45 63 45 64 parsed_2mq6 1
44 1 46 63 46 64 parsed_2mq6 1
45 1 47 63 47 64 parsed_2mq6 1
46 1 48 63 48 64 parsed_2mq6 1
47 1 49 63 49 64 parsed_2mq6 1
48 1 50 63 50 64 parsed_2mq6 1
49 1 51 63 51 64 parsed_2mq6 1
50 1 52 63 52 64 parsed_2mq6 1
51 1 53 63 53 64 parsed_2mq6 1
52 1 54 63 54 64 parsed_2mq6 1
53 1 55 63 55 64 parsed_2mq6 1
54 1 56 63 56 64 parsed_2mq6 1
55 1 57 63 57 64 parsed_2mq6 1
56 1 58 63 58 64 parsed_2mq6 1
57 1 59 63 59 64 parsed_2mq6 1
58 1 60 63 60 64 parsed_2mq6 1
59 1 61 63 61 64 parsed_2mq6 1
60 1 62 63 62 64 parsed_2mq6 1
61 1 63 63 63 64 parsed_2mq6 1
62 1 64 63 64 64 parsed_2mq6 1
63 1 65 63 65 64 parsed_2mq6 1
64 1 66 63 66 64 parsed_2mq6 1
65 1 67 63 67 64 parsed_2mq6 1
66 1 68 63 68 64 parsed_2mq6 1
67 1 69 63 69 64 parsed_2mq6 1
68 1 70 63 70 64 parsed_2mq6 1
69 1 71 63 71 64 parsed_2mq6 1
70 1 72 63 72 64 parsed_2mq6 1
71 1 73 63 73 64 parsed_2mq6 1
72 1 74 63 74 64 parsed_2mq6 1
73 1 75 63 75 64 parsed_2mq6 1
74 1 76 63 76 64 parsed_2mq6 1
75 1 77 63 77 64 parsed_2mq6 1
76 1 78 63 78 64 parsed_2mq6 1
77 1 79 63 79 64 parsed_2mq6 1
78 1 80 63 80 64 parsed_2mq6 1
79
;
1
;
81 63 82 1 parsed_2mq6 1
stop_
save_
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