NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
575921 |
2m6m   |
19146 | cing | 2-parsed | STAR | dipolar coupling | 75 |
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" 0 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_4
_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 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 . . . . . . . . . . . . . . . . -1.21 . . 0.250 . . 2 ALA H . 2 ALA N parsed_2m6m 1
2 . . . . . . . . . . . . . . . . 0.66 . . 0.250 . . 3 ASN H . 3 ASN N parsed_2m6m 1
3 . . . . . . . . . . . . . . . . 0.36 . . 0.250 . . 4 GLU H . 4 GLU N parsed_2m6m 1
4 . . . . . . . . . . . . . . . . 0.29 . . 0.250 . . 5 GLU H . 5 GLU N parsed_2m6m 1
5 . . . . . . . . . . . . . . . . 0.45 . . 0.250 . . 6 THR H . 6 THR N parsed_2m6m 1
6 . . . . . . . . . . . . . . . . 1.11 . . 0.250 . . 7 ASP H . 7 ASP N parsed_2m6m 1
7 . . . . . . . . . . . . . . . . 1.28 . . 0.250 . . 8 THR H . 8 THR N parsed_2m6m 1
8 . . . . . . . . . . . . . . . . -0.03 . . 0.250 . . 9 ALA H . 9 ALA N parsed_2m6m 1
9 . . . . . . . . . . . . . . . . 1.48 . . 0.250 . . 10 THR H . 10 THR N parsed_2m6m 1
10 . . . . . . . . . . . . . . . . 3.04 . . 0.250 . . 11 PHE H . 11 PHE N parsed_2m6m 1
11 . . . . . . . . . . . . . . . . 3.85 . . 0.250 . . 12 ASN H . 12 ASN N parsed_2m6m 1
12 . . . . . . . . . . . . . . . . 1.77 . . 0.250 . . 13 ASP H . 13 ASP N parsed_2m6m 1
13 . . . . . . . . . . . . . . . . -5.87 . . 0.250 . . 14 ASP H . 14 ASP N parsed_2m6m 1
14 . . . . . . . . . . . . . . . . 7.80 . . 0.250 . . 15 ALA H . 15 ALA N parsed_2m6m 1
15 . . . . . . . . . . . . . . . . -9.54 . . 0.250 . . 17 SER H . 17 SER N parsed_2m6m 1
16 . . . . . . . . . . . . . . . . 16.56 . . 0.250 . . 18 GLY H . 18 GLY N parsed_2m6m 1
17 . . . . . . . . . . . . . . . . -1.95 . . 0.250 . . 19 ALA H . 19 ALA N parsed_2m6m 1
18 . . . . . . . . . . . . . . . . 17.85 . . 0.250 . . 20 THR H . 20 THR N parsed_2m6m 1
19 . . . . . . . . . . . . . . . . 10.54 . . 0.250 . . 21 CYSZ H . 21 CYSZ N parsed_2m6m 1
20 . . . . . . . . . . . . . . . . -4.04 . . 1.500 . . 22 ARG H . 22 ARG N parsed_2m6m 1
21 . . . . . . . . . . . . . . . . 4.51 . . 0.250 . . 23 ILE H . 23 ILE N parsed_2m6m 1
22 . . . . . . . . . . . . . . . . -3.48 . . 0.250 . . 24 CYS- H . 24 CYS- N parsed_2m6m 1
23 . . . . . . . . . . . . . . . . -4.47 . . 0.250 . . 25 ARG H . 25 ARG N parsed_2m6m 1
24 . . . . . . . . . . . . . . . . -13.45 . . 0.250 . . 26 GLY H . 26 GLY N parsed_2m6m 1
25 . . . . . . . . . . . . . . . . 1.18 . . 0.250 . . 27 GLU H . 27 GLU N parsed_2m6m 1
26 . . . . . . . . . . . . . . . . -1.23 . . 0.250 . . 28 ALA H . 28 ALA N parsed_2m6m 1
27 . . . . . . . . . . . . . . . . -12.22 . . 0.250 . . 29 THR H . 29 THR N parsed_2m6m 1
28 . . . . . . . . . . . . . . . . -7.09 . . 0.250 . . 30 GLU H . 30 GLU N parsed_2m6m 1
29 . . . . . . . . . . . . . . . . -4.02 . . 1.750 . . 31 ASP H . 31 ASP N parsed_2m6m 1
30 . . . . . . . . . . . . . . . . -14.02 . . 0.250 . . 32 ASN H . 32 ASN N parsed_2m6m 1
31 . . . . . . . . . . . . . . . . -16.63 . . 0.250 . . 34 LEU H . 34 LEU N parsed_2m6m 1
32 . . . . . . . . . . . . . . . . -11.13 . . 0.750 . . 35 PHE H . 35 PHE N parsed_2m6m 1
33 . . . . . . . . . . . . . . . . -0.22 . . 0.250 . . 36 HIS H . 36 HIS N parsed_2m6m 1
34 . . . . . . . . . . . . . . . . -12.01 . . 0.250 . . 38 CYSZ H . 38 CYSZ N parsed_2m6m 1
35 . . . . . . . . . . . . . . . . -6.62 . . 0.250 . . 39 LYS H . 39 LYS N parsed_2m6m 1
36 . . . . . . . . . . . . . . . . 9.72 . . 0.250 . . 40 CYS- H . 40 CYS- N parsed_2m6m 1
37 . . . . . . . . . . . . . . . . 3.79 . . 0.250 . . 41 ARG H . 41 ARG N parsed_2m6m 1
38 . . . . . . . . . . . . . . . . -8.57 . . 0.250 . . 42 GLY H . 42 GLY N parsed_2m6m 1
39 . . . . . . . . . . . . . . . . 11.65 . . 0.250 . . 44 ILE H . 44 ILE N parsed_2m6m 1
40 . . . . . . . . . . . . . . . . -9.20 . . 0.250 . . 45 LYS H . 45 LYS N parsed_2m6m 1
41 . . . . . . . . . . . . . . . . 0.36 . . 0.250 . . 46 TYR H . 46 TYR N parsed_2m6m 1
42 . . . . . . . . . . . . . . . . -3.04 . . 0.250 . . 47 MET H . 47 MET N parsed_2m6m 1
43 . . . . . . . . . . . . . . . . -6.70 . . 0.250 . . 49 GLU H . 49 GLU N parsed_2m6m 1
44 . . . . . . . . . . . . . . . . -10.43 . . 0.250 . . 50 SER H . 50 SER N parsed_2m6m 1
45 . . . . . . . . . . . . . . . . -15.25 . . 0.250 . . 51 CYS- H . 51 CYS- N parsed_2m6m 1
46 . . . . . . . . . . . . . . . . -9.10 . . 0.250 . . 52 LEU H . 52 LEU N parsed_2m6m 1
47 . . . . . . . . . . . . . . . . -7.25 . . 0.250 . . 53 LEU H . 53 LEU N parsed_2m6m 1
48 . . . . . . . . . . . . . . . . -16.80 . . 0.250 . . 54 GLU H . 54 GLU N parsed_2m6m 1
49 . . . . . . . . . . . . . . . . -12.33 . . 0.250 . . 55 TRP H . 55 TRP N parsed_2m6m 1
50 . . . . . . . . . . . . . . . . -6.02 . . 0.250 . . 56 VAL H . 56 VAL N parsed_2m6m 1
51 . . . . . . . . . . . . . . . . -9.10 . . 0.750 . . 57 ALA H . 57 ALA N parsed_2m6m 1
52 . . . . . . . . . . . . . . . . -16.20 . . 0.250 . . 58 SER H . 58 SER N parsed_2m6m 1
53 . . . . . . . . . . . . . . . . -4.60 . . 0.250 . . 59 LYS H . 59 LYS N parsed_2m6m 1
54 . . . . . . . . . . . . . . . . 1.10 . . 0.250 . . 60 ASN H . 60 ASN N parsed_2m6m 1
55 . . . . . . . . . . . . . . . . -6.63 . . 0.250 . . 61 ILE H . 61 ILE N parsed_2m6m 1
56 . . . . . . . . . . . . . . . . 1.17 . . 0.250 . . 62 ASP H . 62 ASP N parsed_2m6m 1
57 . . . . . . . . . . . . . . . . -0.77 . . 0.250 . . 63 ILE H . 63 ILE N parsed_2m6m 1
58 . . . . . . . . . . . . . . . . -5.50 . . 0.250 . . 64 SER H . 64 SER N parsed_2m6m 1
59 . . . . . . . . . . . . . . . . 3.41 . . 0.250 . . 65 LYS H . 65 LYS N parsed_2m6m 1
60 . . . . . . . . . . . . . . . . -4.69 . . 0.250 . . 67 GLY H . 67 GLY N parsed_2m6m 1
61 . . . . . . . . . . . . . . . . 7.67 . . 0.250 . . 68 ALA H . 68 ALA N parsed_2m6m 1
62 . . . . . . . . . . . . . . . . -2.72 . . 0.250 . . 69 ASP H . 69 ASP N parsed_2m6m 1
63 . . . . . . . . . . . . . . . . -0.91 . . 0.250 . . 70 VAL H . 70 VAL N parsed_2m6m 1
64 . . . . . . . . . . . . . . . . -13.30 . . 0.250 . . 71 LYS H . 71 LYS N parsed_2m6m 1
65 . . . . . . . . . . . . . . . . -6.77 . . 0.250 . . 72 CYS- H . 72 CYS- N parsed_2m6m 1
66 . . . . . . . . . . . . . . . . 9.90 . . 0.250 . . 73 ASP H . 73 ASP N parsed_2m6m 1
67 . . . . . . . . . . . . . . . . 15.45 . . 0.750 . . 74 ILE H . 74 ILE N parsed_2m6m 1
68 . . . . . . . . . . . . . . . . 18.83 . . 0.250 . . 75 CYS- H . 75 CYS- N parsed_2m6m 1
69 . . . . . . . . . . . . . . . . 2.32 . . 0.250 . . 76 HIS H . 76 HIS N parsed_2m6m 1
70 . . . . . . . . . . . . . . . . -7.85 . . 0.250 . . 77 TYR H . 77 TYR N parsed_2m6m 1
71 . . . . . . . . . . . . . . . . -17.75 . . 0.750 . . 79 ILE H . 79 ILE N parsed_2m6m 1
72 . . . . . . . . . . . . . . . . -5.16 . . 0.250 . . 80 GLN H . 80 GLN N parsed_2m6m 1
73 . . . . . . . . . . . . . . . . -10.92 . . 0.750 . . 81 PHE H . 81 PHE N parsed_2m6m 1
74 . . . . . . . . . . . . . . . . 0.86 . . 0.250 . . 82 LYS H . 82 LYS N parsed_2m6m 1
75 . . . . . . . . . . . . . . . . -1.44 . . 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 0118_new 1 1 1 9 parsed_2m6m 1
2 "Doa10 phage aligned 0.5mM/NaCl 300mM PF1 10mg/ml" 2 1 2 63 parsed_2m6m 1
3 "Orientation Magnitude Rhombicity ORI residue number" 3 1 3 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
;
1 9.4490 0.6000 360
# First atom Second atom RDC Error weight Orientation
;
4 2 5 58 parsed_2m6m 1
2 1 6 35 6 36 parsed_2m6m 1
3 1 7 35 7 36 parsed_2m6m 1
4 1 8 35 8 36 parsed_2m6m 1
5 1 9 35 9 36 parsed_2m6m 1
6 1 10 35 10 36 parsed_2m6m 1
7 1 11 35 11 36 parsed_2m6m 1
8 1 12 35 12 36 parsed_2m6m 1
9 1 13 35 13 36 parsed_2m6m 1
10 1 14 37 14 38 parsed_2m6m 1
11 1 15 37 15 38 parsed_2m6m 1
12 1 16 37 16 38 parsed_2m6m 1
13 1 17 37 17 38 parsed_2m6m 1
14 1 18 37 18 38 parsed_2m6m 1
15 1 19 37 19 38 parsed_2m6m 1
16 1 20 37 20 38 parsed_2m6m 1
17 1 21 37 21 38 parsed_2m6m 1
18 1 22 37 22 38 parsed_2m6m 1
19 1 23 37 23 38 parsed_2m6m 1
20 1 24 39 24 40 parsed_2m6m 1
21
;
1
# 0.25-> 1.5
;
25 37 26 13 parsed_2m6m 1
22 1 27 37 27 38 parsed_2m6m 1
23 1 28 39 28 40 parsed_2m6m 1
24 1 29 37 29 38 parsed_2m6m 1
25 1 30 43 30 44 parsed_2m6m 1
26 1 31 37 31 38 parsed_2m6m 1
27 1 32 37 32 38 parsed_2m6m 1
28 1 33 43 33 44 parsed_2m6m 1
29 1 34 37 34 38 parsed_2m6m 1
30
;
1
# 0.25 -> 1.75
;
35 37 36 15 parsed_2m6m 1
31 1 37 43 37 44 parsed_2m6m 1
32 1 38 43 38 44 parsed_2m6m 1
33
;
1
# 0.25 -> 0.75
;
39 43 40 15 parsed_2m6m 1
34 1 41 43 41 44 parsed_2m6m 1
35 1 42 45 42 46 parsed_2m6m 1
36 1 43 37 43 38 parsed_2m6m 1
37 1 44 39 44 40 parsed_2m6m 1
38 1 45 37 45 38 parsed_2m6m 1
39
;
1
#43 SER H 43 SER N na na 1 1
;
46 37 47 38 parsed_2m6m 1
40 1 48 37 48 38 parsed_2m6m 1
41 1 49 37 49 38 parsed_2m6m 1
42 1 50 36 50 37 parsed_2m6m 1
43
;
1
#48 HISB H 48 HISB N na na 1 1
;
51 37 52 35 parsed_2m6m 1
44 1 53 37 53 38 parsed_2m6m 1
45 1 54 38 54 39 parsed_2m6m 1
46 1 55 40 55 41 parsed_2m6m 1
47 1 56 37 56 38 parsed_2m6m 1
48 1 57 37 57 38 parsed_2m6m 1
49 1 58 38 58 39 parsed_2m6m 1
50 1 59 38 59 39 parsed_2m6m 1
51 1 60 37 60 38 parsed_2m6m 1
52
;
1
# 0.25 -> 0.75
;
61 37 62 15 parsed_2m6m 1
53 1 63 38 63 39 parsed_2m6m 1
54 1 64 37 64 38 parsed_2m6m 1
55 1 65 36 65 37 parsed_2m6m 1
56 1 66 37 66 38 parsed_2m6m 1
57 1 67 36 67 37 parsed_2m6m 1
58 1 68 37 68 38 parsed_2m6m 1
59 1 69 37 69 38 parsed_2m6m 1
60 1 70 36 70 37 parsed_2m6m 1
61 1 71 37 71 38 parsed_2m6m 1
62 1 72 36 72 37 parsed_2m6m 1
63 1 73 37 73 38 parsed_2m6m 1
64 1 74 37 74 38 parsed_2m6m 1
65 1 75 38 75 39 parsed_2m6m 1
66 1 76 39 76 40 parsed_2m6m 1
67 1 77 36 77 37 parsed_2m6m 1
68
;
1
# 0.25 -> 0.75
;
78 37 79 15 parsed_2m6m 1
69 1 80 39 80 40 parsed_2m6m 1
70 1 81 36 81 37 parsed_2m6m 1
71 1 82 37 82 38 parsed_2m6m 1
72
;
1
# 0.25 -> 0.75
;
83 38 84 15 parsed_2m6m 1
73 1 85 37 85 38 parsed_2m6m 1
74
;
1
# 0.25 -> 0.75
;
86 38 87 15 parsed_2m6m 1
75 1 88 36 88 37 parsed_2m6m 1
76
;
1
;
89 37 90 10 parsed_2m6m 1
stop_
save_
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