NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
575922 |
2m6m   |
19146 | cing | 2-parsed | STAR | dipolar coupling | 74 |
data_2m6m_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2m6m
_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_2m6m 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2m6m
_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 2m6m "Master copy" parsed_2m6m
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2m6m
_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 2m6m.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2m6m 1
1 2m6m.mr . . DYANA/DIANA 2 distance NOE simple 1405 parsed_2m6m 1
1 2m6m.mr . . DYANA/DIANA 3 "dihedral angle" "Not applicable" "Not applicable" 92 parsed_2m6m 1
1 2m6m.mr . . DYANA/DIANA 4 "dipolar coupling" "Not applicable" "Not applicable" 75 parsed_2m6m 1
1 2m6m.mr . . DYANA/DIANA 5 "dipolar coupling" "Not applicable" "Not applicable" 74 parsed_2m6m 1
1 2m6m.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2m6m 1
stop_
save_
save_DYANA/DIANA_dipolar_coupling_5
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2m6m
_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 . . . . . . . . . . . . . . . . -0.08 . . 0.250 . . 2 ALA H . 2 ALA N parsed_2m6m 1
2 . . . . . . . . . . . . . . . . -2.41 . . 0.250 . . 3 ASN H . 3 ASN N parsed_2m6m 1
3 . . . . . . . . . . . . . . . . -1.35 . . 0.250 . . 4 GLU H . 4 GLU N parsed_2m6m 1
4 . . . . . . . . . . . . . . . . 2.77 . . 0.250 . . 5 GLU H . 5 GLU N parsed_2m6m 1
5 . . . . . . . . . . . . . . . . -0.65 . . 0.250 . . 6 THR H . 6 THR N parsed_2m6m 1
6 . . . . . . . . . . . . . . . . -2.74 . . 0.250 . . 7 ASP H . 7 ASP N parsed_2m6m 1
7 . . . . . . . . . . . . . . . . 0.69 . . 0.250 . . 8 THR H . 8 THR N parsed_2m6m 1
8 . . . . . . . . . . . . . . . . -0.17 . . 0.250 . . 9 ALA H . 9 ALA N parsed_2m6m 1
9 . . . . . . . . . . . . . . . . -0.95 . . 0.250 . . 10 THR H . 10 THR N parsed_2m6m 1
10 . . . . . . . . . . . . . . . . -0.55 . . 0.250 . . 11 PHE H . 11 PHE N parsed_2m6m 1
11 . . . . . . . . . . . . . . . . -2.08 . . 0.250 . . 12 ASN H . 12 ASN N parsed_2m6m 1
12 . . . . . . . . . . . . . . . . -4.50 . . 0.250 . . 13 ASP H . 13 ASP N parsed_2m6m 1
13 . . . . . . . . . . . . . . . . 4.10 . . 0.250 . . 14 ASP H . 14 ASP N parsed_2m6m 1
14 . . . . . . . . . . . . . . . . -1.95 . . 0.250 . . 15 ALA H . 15 ALA N parsed_2m6m 1
15 . . . . . . . . . . . . . . . . 5.64 . . 0.250 . . 17 SER H . 17 SER N parsed_2m6m 1
16 . . . . . . . . . . . . . . . . -5.34 . . 0.250 . . 18 GLY H . 18 GLY N parsed_2m6m 1
17 . . . . . . . . . . . . . . . . -9.34 . . 0.250 . . 19 ALA H . 19 ALA N parsed_2m6m 1
18 . . . . . . . . . . . . . . . . -4.11 . . 0.250 . . 20 THR H . 20 THR N parsed_2m6m 1
19 . . . . . . . . . . . . . . . . 0.01 . . 0.250 . . 21 CYSZ H . 21 CYSZ N parsed_2m6m 1
20 . . . . . . . . . . . . . . . . -8.12 . . 0.250 . . 22 ARG H . 22 ARG N parsed_2m6m 1
21 . . . . . . . . . . . . . . . . -14.28 . . 0.250 . . 23 ILE H . 23 ILE N parsed_2m6m 1
22 . . . . . . . . . . . . . . . . -13.26 . . 0.250 . . 24 CYS- H . 24 CYS- N parsed_2m6m 1
23 . . . . . . . . . . . . . . . . -1.10 . . 0.250 . . 25 ARG H . 25 ARG N parsed_2m6m 1
24 . . . . . . . . . . . . . . . . 14.12 . . 0.250 . . 26 GLY H . 26 GLY N parsed_2m6m 1
25 . . . . . . . . . . . . . . . . 0.36 . . 0.250 . . 27 GLU H . 27 GLU N parsed_2m6m 1
26 . . . . . . . . . . . . . . . . 9.77 . . 0.250 . . 28 ALA H . 28 ALA N parsed_2m6m 1
27 . . . . . . . . . . . . . . . . 11.20 . . 0.250 . . 29 THR H . 29 THR N parsed_2m6m 1
28 . . . . . . . . . . . . . . . . 4.86 . . 1.250 . . 30 GLU H . 30 GLU N parsed_2m6m 1
29 . . . . . . . . . . . . . . . . -5.41 . . 0.250 . . 31 ASP H . 31 ASP N parsed_2m6m 1
30 . . . . . . . . . . . . . . . . 14.94 . . 0.250 . . 32 ASN H . 32 ASN N parsed_2m6m 1
31 . . . . . . . . . . . . . . . . 10.46 . . 0.250 . . 34 LEU H . 34 LEU N parsed_2m6m 1
32 . . . . . . . . . . . . . . . . -5.34 . . 0.250 . . 35 PHE H . 35 PHE N parsed_2m6m 1
33 . . . . . . . . . . . . . . . . -15.02 . . 0.250 . . 36 HIS H . 36 HIS N parsed_2m6m 1
34 . . . . . . . . . . . . . . . . 7.63 . . 0.250 . . 38 CYSZ H . 38 CYSZ N parsed_2m6m 1
35 . . . . . . . . . . . . . . . . 2.44 . . 0.250 . . 39 LYS H . 39 LYS N parsed_2m6m 1
36 . . . . . . . . . . . . . . . . 5.26 . . 0.250 . . 40 CYS- H . 40 CYS- N parsed_2m6m 1
37 . . . . . . . . . . . . . . . . -10.66 . . 0.250 . . 41 ARG H . 41 ARG N parsed_2m6m 1
38 . . . . . . . . . . . . . . . . -4.99 . . 0.250 . . 42 GLY H . 42 GLY N parsed_2m6m 1
39 . . . . . . . . . . . . . . . . -0.35 . . 0.250 . . 44 ILE H . 44 ILE N parsed_2m6m 1
40 . . . . . . . . . . . . . . . . 15.65 . . 1.250 . . 45 LYS H . 45 LYS N parsed_2m6m 1
41 . . . . . . . . . . . . . . . . -4.20 . . 0.250 . . 46 TYR H . 46 TYR N parsed_2m6m 1
42 . . . . . . . . . . . . . . . . -14.84 . . 0.250 . . 47 MET H . 47 MET N parsed_2m6m 1
43 . . . . . . . . . . . . . . . . 3.16 . . 0.250 . . 49 GLU H . 49 GLU N parsed_2m6m 1
44 . . . . . . . . . . . . . . . . 9.80 . . 0.250 . . 50 SER H . 50 SER N parsed_2m6m 1
45 . . . . . . . . . . . . . . . . 10.33 . . 0.250 . . 51 CYS- H . 51 CYS- N parsed_2m6m 1
46 . . . . . . . . . . . . . . . . 2.97 . . 0.250 . . 52 LEU H . 52 LEU N parsed_2m6m 1
47 . . . . . . . . . . . . . . . . 5.21 . . 0.250 . . 53 LEU H . 53 LEU N parsed_2m6m 1
48 . . . . . . . . . . . . . . . . 6.85 . . 0.250 . . 55 TRP H . 55 TRP N parsed_2m6m 1
49 . . . . . . . . . . . . . . . . 2.54 . . 0.250 . . 56 VAL H . 56 VAL N parsed_2m6m 1
50 . . . . . . . . . . . . . . . . 10.83 . . 0.750 . . 57 ALA H . 57 ALA N parsed_2m6m 1
51 . . . . . . . . . . . . . . . . 13.80 . . 0.250 . . 58 SER H . 58 SER N parsed_2m6m 1
52 . . . . . . . . . . . . . . . . -5.34 . . 0.250 . . 59 LYS H . 59 LYS N parsed_2m6m 1
53 . . . . . . . . . . . . . . . . 4.80 . . 1.250 . . 60 ASN H . 60 ASN N parsed_2m6m 1
54 . . . . . . . . . . . . . . . . 8.40 . . 0.250 . . 61 ILE H . 61 ILE N parsed_2m6m 1
55 . . . . . . . . . . . . . . . . 2.98 . . 0.250 . . 62 ASP H . 62 ASP N parsed_2m6m 1
56 . . . . . . . . . . . . . . . . -2.41 . . 0.250 . . 63 ILE H . 63 ILE N parsed_2m6m 1
57 . . . . . . . . . . . . . . . . -3.21 . . 0.250 . . 64 SER H . 64 SER N parsed_2m6m 1
58 . . . . . . . . . . . . . . . . -9.11 . . 0.250 . . 65 LYS H . 65 LYS N parsed_2m6m 1
59 . . . . . . . . . . . . . . . . 2.46 . . 0.250 . . 67 GLY H . 67 GLY N parsed_2m6m 1
60 . . . . . . . . . . . . . . . . -4.67 . . 0.250 . . 68 ALA H . 68 ALA N parsed_2m6m 1
61 . . . . . . . . . . . . . . . . 3.81 . . 0.250 . . 69 ASP H . 69 ASP N parsed_2m6m 1
62 . . . . . . . . . . . . . . . . -6.91 . . 0.250 . . 70 VAL H . 70 VAL N parsed_2m6m 1
63 . . . . . . . . . . . . . . . . 3.78 . . 0.250 . . 71 LYS H . 71 LYS N parsed_2m6m 1
64 . . . . . . . . . . . . . . . . -3.58 . . 0.250 . . 72 CYS- H . 72 CYS- N parsed_2m6m 1
65 . . . . . . . . . . . . . . . . -0.25 . . 0.250 . . 73 ASP H . 73 ASP N parsed_2m6m 1
66 . . . . . . . . . . . . . . . . -10.38 . . 0.750 . . 74 ILE H . 74 ILE N parsed_2m6m 1
67 . . . . . . . . . . . . . . . . -4.01 . . 0.250 . . 75 CYS- H . 75 CYS- N parsed_2m6m 1
68 . . . . . . . . . . . . . . . . -0.15 . . 0.250 . . 76 HIS H . 76 HIS N parsed_2m6m 1
69 . . . . . . . . . . . . . . . . 4.69 . . 0.250 . . 77 TYR H . 77 TYR N parsed_2m6m 1
70 . . . . . . . . . . . . . . . . 9.18 . . 0.250 . . 79 ILE H . 79 ILE N parsed_2m6m 1
71 . . . . . . . . . . . . . . . . 7.63 . . 0.250 . . 80 GLN H . 80 GLN N parsed_2m6m 1
72 . . . . . . . . . . . . . . . . 7.78 . . 0.750 . . 81 PHE H . 81 PHE N parsed_2m6m 1
73 . . . . . . . . . . . . . . . . -0.24 . . 0.250 . . 82 LYS H . 82 LYS N parsed_2m6m 1
74 . . . . . . . . . . . . . . . . 0.98 . . 0.250 . . 83 THR H . 83 THR N parsed_2m6m 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 "Doa10 acrylamide aligned 0.4mM/NaCl compression 0.76" 1 1 1 58 parsed_2m6m 1
2 "Orientation Magnitude Rhombicity ORI residue number" 2 1 2 53 parsed_2m6m 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
;
2 7.8950 0.6400 370
# First atom Second atom RDC Error weight Orientation
;
3 2 4 66 parsed_2m6m 1
2 2 5 33 5 34 parsed_2m6m 1
3 2 6 33 6 34 parsed_2m6m 1
4 2 7 33 7 34 parsed_2m6m 1
5 2 8 32 8 33 parsed_2m6m 1
6 2 9 33 9 34 parsed_2m6m 1
7 2 10 33 10 34 parsed_2m6m 1
8 2 11 32 11 33 parsed_2m6m 1
9 2 12 33 12 34 parsed_2m6m 1
10 2 13 35 13 36 parsed_2m6m 1
11 2 14 35 14 36 parsed_2m6m 1
12 2 15 35 15 36 parsed_2m6m 1
13 2 16 35 16 36 parsed_2m6m 1
14 2 17 34 17 35 parsed_2m6m 1
15 2 18 35 18 36 parsed_2m6m 1
16 2 19 34 19 35 parsed_2m6m 1
17 2 20 35 20 36 parsed_2m6m 1
18 2 21 35 21 36 parsed_2m6m 1
19 2 22 35 22 36 parsed_2m6m 1
20 2 23 36 23 37 parsed_2m6m 1
21 2 24 35 24 36 parsed_2m6m 1
22 2 25 36 25 37 parsed_2m6m 1
23 2 26 38 26 39 parsed_2m6m 1
24 2 27 35 27 36 parsed_2m6m 1
25 2 28 35 28 36 parsed_2m6m 1
26 2 29 34 29 35 parsed_2m6m 1
27 2 30 34 30 35 parsed_2m6m 1
28 2 31 35 31 36 parsed_2m6m 1
29
;
2
# 0.25 -> 1.25
;
32 34 33 15 parsed_2m6m 1
30 2 34 35 34 36 parsed_2m6m 1
31 2 35 35 35 36 parsed_2m6m 1
32 2 36 35 36 36 parsed_2m6m 1
33 2 37 35 37 36 parsed_2m6m 1
34 2 38 36 38 37 parsed_2m6m 1
35 2 39 36 39 37 parsed_2m6m 1
36 2 40 34 40 35 parsed_2m6m 1
37 2 41 36 41 37 parsed_2m6m 1
38 2 42 36 42 37 parsed_2m6m 1
39
;
2
#43 SER H 43 SER N na na 1 2
;
43 35 44 30 parsed_2m6m 1
40 2 45 35 45 36 parsed_2m6m 1
41
;
2
# 0.25 -> 1.25
;
46 35 47 15 parsed_2m6m 1
42 2 48 35 48 36 parsed_2m6m 1
43
;
2
#48 HISB H 48 HISB N na na 1 2
;
49 36 50 31 parsed_2m6m 1
44 2 51 34 51 35 parsed_2m6m 1
45 2 52 34 52 35 parsed_2m6m 1
46 2 53 37 53 38 parsed_2m6m 1
47 2 54 34 54 35 parsed_2m6m 1
48
;
2
#54 GLU H 54 GLU N na na 1 2
;
55 34 56 29 parsed_2m6m 1
49 2 57 34 57 35 parsed_2m6m 1
50 2 58 34 58 35 parsed_2m6m 1
51
;
2
# 0.25 -> 0.75
;
59 35 60 15 parsed_2m6m 1
52 2 61 35 61 36 parsed_2m6m 1
53 2 62 35 62 36 parsed_2m6m 1
54
;
2
# 0.25 -> 1.25
;
63 34 64 15 parsed_2m6m 1
55 2 65 34 65 35 parsed_2m6m 1
56 2 66 34 66 35 parsed_2m6m 1
57 2 67 35 67 36 parsed_2m6m 1
58 2 68 35 68 36 parsed_2m6m 1
59 2 69 35 69 36 parsed_2m6m 1
60 2 70 34 70 35 parsed_2m6m 1
61 2 71 35 71 36 parsed_2m6m 1
62 2 72 34 72 35 parsed_2m6m 1
63 2 73 35 73 36 parsed_2m6m 1
64 2 74 34 74 35 parsed_2m6m 1
65 2 75 37 75 38 parsed_2m6m 1
66 2 76 35 76 36 parsed_2m6m 1
67
;
2
# 0.25 -> 0.75
;
77 36 78 15 parsed_2m6m 1
68 2 79 37 79 38 parsed_2m6m 1
69 2 80 35 80 36 parsed_2m6m 1
70 2 81 34 81 35 parsed_2m6m 1
71 2 82 34 82 35 parsed_2m6m 1
72 2 83 34 83 35 parsed_2m6m 1
73
;
2
# 0.25 -> 0.75
;
84 34 85 15 parsed_2m6m 1
74 2 86 35 86 36 parsed_2m6m 1
75
;
2
;
87 34 88 1 parsed_2m6m 1
stop_
save_
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