NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
457760 |
2ksh   |
16662 | cing | 2-parsed | STAR | dipolar coupling | 87 |
data_2ksh_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2ksh
_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_2ksh 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2ksh
_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 2ksh "Master copy" parsed_2ksh
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2ksh
_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 2ksh.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2ksh 1
1 2ksh.mr . . DYANA/DIANA 2 "dihedral angle" "Not applicable" "Not applicable" 452 parsed_2ksh 1
1 2ksh.mr . . DYANA/DIANA 3 "dipolar coupling" "Not applicable" "Not applicable" 87 parsed_2ksh 1
1 2ksh.mr . . DYANA/DIANA 4 distance NOE simple 0 parsed_2ksh 1
1 2ksh.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2ksh 1
stop_
save_
save_DYANA/DIANA_dipolar_coupling_3
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2ksh
_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 . . . . . . . . . . . . . . . . -15.5 . . 2.000 . . 2 SER H . 2 SER N parsed_2ksh 1
2 . . . . . . . . . . . . . . . . -31.48 . . 2.000 . . 3 LEU H . 3 LEU N parsed_2ksh 1
3 . . . . . . . . . . . . . . . . -32.39 . . 2.000 . . 4 LYS H . 4 LYS N parsed_2ksh 1
4 . . . . . . . . . . . . . . . . -15.5 . . 2.000 . . 5 SER H . 5 SER N parsed_2ksh 1
5 . . . . . . . . . . . . . . . . 11.36 . . 2.000 . . 6 ASP H . 6 ASP N parsed_2ksh 1
6 . . . . . . . . . . . . . . . . -20.12 . . 2.000 . . 7 GLU H . 7 GLU N parsed_2ksh 1
7 . . . . . . . . . . . . . . . . -15.5 . . 2.000 . . 8 VAL H . 8 VAL N parsed_2ksh 1
8 . . . . . . . . . . . . . . . . 4.32 . . 2.000 . . 9 PHE H . 9 PHE N parsed_2ksh 1
9 . . . . . . . . . . . . . . . . -8.81 . . 2.000 . . 10 ALA H . 10 ALA N parsed_2ksh 1
10 . . . . . . . . . . . . . . . . -27.96 . . 2.000 . . 11 LYS H . 11 LYS N parsed_2ksh 1
11 . . . . . . . . . . . . . . . . -6.38 . . 2.000 . . 12 ILE H . 12 ILE N parsed_2ksh 1
12 . . . . . . . . . . . . . . . . -20.6 . . 2.000 . . 15 ARG H . 15 ARG N parsed_2ksh 1
13 . . . . . . . . . . . . . . . . 4.68 . . 2.000 . . 17 GLU H . 17 GLU N parsed_2ksh 1
14 . . . . . . . . . . . . . . . . -33.12 . . 2.000 . . 18 SER H . 18 SER N parsed_2ksh 1
15 . . . . . . . . . . . . . . . . 29.6 . . 2.000 . . 19 ILE H . 19 ILE N parsed_2ksh 1
16 . . . . . . . . . . . . . . . . -13.74 . . 2.000 . . 20 ASP H . 20 ASP N parsed_2ksh 1
17 . . . . . . . . . . . . . . . . -4.07 . . 2.000 . . 29 VAL H . 29 VAL N parsed_2ksh 1
18 . . . . . . . . . . . . . . . . -11.43 . . 2.000 . . 30 TYR H . 30 TYR N parsed_2ksh 1
19 . . . . . . . . . . . . . . . . 6.56 . . 2.000 . . 31 LYS H . 31 LYS N parsed_2ksh 1
20 . . . . . . . . . . . . . . . . -9.48 . . 2.000 . . 32 PHE H . 32 PHE N parsed_2ksh 1
21 . . . . . . . . . . . . . . . . 19.02 . . 2.000 . . 33 ARG H . 33 ARG N parsed_2ksh 1
22 . . . . . . . . . . . . . . . . -9.6 . . 2.000 . . 34 ILE H . 34 ILE N parsed_2ksh 1
23 . . . . . . . . . . . . . . . . 26.32 . . 2.000 . . 35 THR H . 35 THR N parsed_2ksh 1
24 . . . . . . . . . . . . . . . . -4.68 . . 2.000 . . 36 GLN H . 36 GLN N parsed_2ksh 1
25 . . . . . . . . . . . . . . . . -15.5 . . 2.000 . . 37 GLY H . 37 GLY N parsed_2ksh 1
26 . . . . . . . . . . . . . . . . -4.25 . . 2.000 . . 38 GLY H . 38 GLY N parsed_2ksh 1
27 . . . . . . . . . . . . . . . . 3.65 . . 2.000 . . 39 LYS H . 39 LYS N parsed_2ksh 1
28 . . . . . . . . . . . . . . . . -11.55 . . 2.000 . . 40 VAL H . 40 VAL N parsed_2ksh 1
29 . . . . . . . . . . . . . . . . 21.39 . . 2.000 . . 41 VAL H . 41 VAL N parsed_2ksh 1
30 . . . . . . . . . . . . . . . . 8.63 . . 2.000 . . 43 ASN H . 43 ASN N parsed_2ksh 1
31 . . . . . . . . . . . . . . . . -12.52 . . 2.000 . . 44 TRP H . 44 TRP N parsed_2ksh 1
32 . . . . . . . . . . . . . . . . 9.18 . . 2.000 . . 45 VAL H . 45 VAL N parsed_2ksh 1
33 . . . . . . . . . . . . . . . . -14.95 . . 2.000 . . 46 MET H . 46 MET N parsed_2ksh 1
34 . . . . . . . . . . . . . . . . 18.17 . . 2.000 . . 47 ASP H . 47 ASP N parsed_2ksh 1
35 . . . . . . . . . . . . . . . . -16.53 . . 2.000 . . 48 LEU H . 48 LEU N parsed_2ksh 1
36 . . . . . . . . . . . . . . . . 6.26 . . 2.000 . . 49 LYS H . 49 LYS N parsed_2ksh 1
37 . . . . . . . . . . . . . . . . -28.32 . . 2.000 . . 50 ASN H . 50 ASN N parsed_2ksh 1
38 . . . . . . . . . . . . . . . . -15.5 . . 2.000 . . 51 VAL H . 51 VAL N parsed_2ksh 1
39 . . . . . . . . . . . . . . . . -5.04 . . 2.000 . . 52 LYS H . 52 LYS N parsed_2ksh 1
40 . . . . . . . . . . . . . . . . -12.7 . . 2.000 . . 53 LEU H . 53 LEU N parsed_2ksh 1
41 . . . . . . . . . . . . . . . . 7.6 . . 2.000 . . 54 VAL H . 54 VAL N parsed_2ksh 1
42 . . . . . . . . . . . . . . . . -4.38 . . 2.000 . . 55 GLU H . 55 GLU N parsed_2ksh 1
43 . . . . . . . . . . . . . . . . 0.79 . . 2.000 . . 56 SER H . 56 SER N parsed_2ksh 1
44 . . . . . . . . . . . . . . . . -16.35 . . 2.000 . . 57 ASP H . 57 ASP N parsed_2ksh 1
45 . . . . . . . . . . . . . . . . -11.79 . . 2.000 . . 58 ASP H . 58 ASP N parsed_2ksh 1
46 . . . . . . . . . . . . . . . . -14.59 . . 2.000 . . 59 ALA H . 59 ALA N parsed_2ksh 1
47 . . . . . . . . . . . . . . . . -30.39 . . 2.000 . . 60 ALA H . 60 ALA N parsed_2ksh 1
48 . . . . . . . . . . . . . . . . -5.83 . . 2.000 . . 62 ALA H . 62 ALA N parsed_2ksh 1
49 . . . . . . . . . . . . . . . . -7.29 . . 2.000 . . 63 THR H . 63 THR N parsed_2ksh 1
50 . . . . . . . . . . . . . . . . -16.9 . . 2.000 . . 64 LEU H . 64 LEU N parsed_2ksh 1
51 . . . . . . . . . . . . . . . . 9.97 . . 2.000 . . 65 THR H . 65 THR N parsed_2ksh 1
52 . . . . . . . . . . . . . . . . 1.03 . . 2.000 . . 66 MET H . 66 MET N parsed_2ksh 1
53 . . . . . . . . . . . . . . . . -5.41 . . 2.000 . . 67 GLU H . 67 GLU N parsed_2ksh 1
54 . . . . . . . . . . . . . . . . 14.65 . . 2.000 . . 68 ASP H . 68 ASP N parsed_2ksh 1
55 . . . . . . . . . . . . . . . . -7.29 . . 2.000 . . 69 ASP H . 69 ASP N parsed_2ksh 1
56 . . . . . . . . . . . . . . . . 1.22 . . 2.000 . . 70 ILE H . 70 ILE N parsed_2ksh 1
57 . . . . . . . . . . . . . . . . 2.55 . . 2.000 . . 72 PHE H . 72 PHE N parsed_2ksh 1
58 . . . . . . . . . . . . . . . . -9.3 . . 2.000 . . 73 ALA H . 73 ALA N parsed_2ksh 1
59 . . . . . . . . . . . . . . . . 6.56 . . 2.000 . . 74 ILE H . 74 ILE N parsed_2ksh 1
60 . . . . . . . . . . . . . . . . 9.85 . . 2.000 . . 75 GLY H . 75 GLY N parsed_2ksh 1
61 . . . . . . . . . . . . . . . . -25.04 . . 2.000 . . 76 THR H . 76 THR N parsed_2ksh 1
62 . . . . . . . . . . . . . . . . -15.5 . . 2.000 . . 77 GLY H . 77 GLY N parsed_2ksh 1
63 . . . . . . . . . . . . . . . . 12.22 . . 2.000 . . 78 ALA H . 78 ALA N parsed_2ksh 1
64 . . . . . . . . . . . . . . . . -27.96 . . 2.000 . . 81 ALA H . 81 ALA N parsed_2ksh 1
65 . . . . . . . . . . . . . . . . -13.43 . . 2.000 . . 82 LYS H . 82 LYS N parsed_2ksh 1
66 . . . . . . . . . . . . . . . . -25.1 . . 2.000 . . 83 GLU H . 83 GLU N parsed_2ksh 1
67 . . . . . . . . . . . . . . . . -9.06 . . 2.000 . . 85 MET H . 85 MET N parsed_2ksh 1
68 . . . . . . . . . . . . . . . . -19.27 . . 2.000 . . 86 ALA H . 86 ALA N parsed_2ksh 1
69 . . . . . . . . . . . . . . . . 32.03 . . 2.000 . . 88 ASP H . 88 ASP N parsed_2ksh 1
70 . . . . . . . . . . . . . . . . 27.35 . . 2.000 . . 89 LYS H . 89 LYS N parsed_2ksh 1
71 . . . . . . . . . . . . . . . . 7.23 . . 2.000 . . 90 MET H . 90 MET N parsed_2ksh 1
72 . . . . . . . . . . . . . . . . 19.51 . . 2.000 . . 91 GLU H . 91 GLU N parsed_2ksh 1
73 . . . . . . . . . . . . . . . . -13.19 . . 2.000 . . 92 VAL H . 92 VAL N parsed_2ksh 1
74 . . . . . . . . . . . . . . . . -9.72 . . 2.000 . . 93 ASP H . 93 ASP N parsed_2ksh 1
75 . . . . . . . . . . . . . . . . -29.05 . . 2.000 . . 94 GLY H . 94 GLY N parsed_2ksh 1
76 . . . . . . . . . . . . . . . . -8.63 . . 2.000 . . 95 GLN H . 95 GLN N parsed_2ksh 1
77 . . . . . . . . . . . . . . . . -18.54 . . 2.000 . . 96 VAL H . 96 VAL N parsed_2ksh 1
78 . . . . . . . . . . . . . . . . -2.25 . . 2.000 . . 97 GLU H . 97 GLU N parsed_2ksh 1
79 . . . . . . . . . . . . . . . . -3.71 . . 2.000 . . 98 LEU H . 98 LEU N parsed_2ksh 1
80 . . . . . . . . . . . . . . . . -15.5 . . 2.000 . . 99 ILE H . 99 ILE N parsed_2ksh 1
81 . . . . . . . . . . . . . . . . -1.46 . . 2.000 . . 100 PHE H . 100 PHE N parsed_2ksh 1
82 . . . . . . . . . . . . . . . . -15.5 . . 2.000 . . 101 LEU H . 101 LEU N parsed_2ksh 1
83 . . . . . . . . . . . . . . . . -28.38 . . 2.000 . . 102 LEU H . 102 LEU N parsed_2ksh 1
84 . . . . . . . . . . . . . . . . -15.5 . . 2.000 . . 103 GLU H . 103 GLU N parsed_2ksh 1
85 . . . . . . . . . . . . . . . . -15.5 . . 2.000 . . 105 PHE H . 105 PHE N parsed_2ksh 1
86 . . . . . . . . . . . . . . . . -14.77 . . 2.000 . . 108 SER H . 108 SER N parsed_2ksh 1
87 . . . . . . . . . . . . . . . . -16.9 . . 2.000 . . 109 LEU H . 109 LEU N parsed_2ksh 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 55 parsed_2ksh 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 23.341 0.456 200
# First atom Second atom RDC Error Weight Orientation
;
2 8 3 73 parsed_2ksh 1
2 1 4 68 4 69 parsed_2ksh 1
3 1 5 68 5 69 parsed_2ksh 1
4 1 6 68 6 69 parsed_2ksh 1
5 1 7 68 7 69 parsed_2ksh 1
6 1 8 68 8 69 parsed_2ksh 1
7 1 9 68 9 69 parsed_2ksh 1
8 1 10 68 10 69 parsed_2ksh 1
9 1 11 68 11 69 parsed_2ksh 1
10 1 12 68 12 69 parsed_2ksh 1
11 1 13 68 13 69 parsed_2ksh 1
12 1 14 68 14 69 parsed_2ksh 1
13 1 15 68 15 69 parsed_2ksh 1
14 1 16 68 16 69 parsed_2ksh 1
15 1 17 68 17 69 parsed_2ksh 1
16 1 18 68 18 69 parsed_2ksh 1
17 1 19 68 19 69 parsed_2ksh 1
18 1 20 68 20 69 parsed_2ksh 1
19 1 21 68 21 69 parsed_2ksh 1
20 1 22 68 22 69 parsed_2ksh 1
21 1 23 68 23 69 parsed_2ksh 1
22 1 24 68 24 69 parsed_2ksh 1
23 1 25 68 25 69 parsed_2ksh 1
24 1 26 68 26 69 parsed_2ksh 1
25 1 27 68 27 69 parsed_2ksh 1
26 1 28 68 28 69 parsed_2ksh 1
27 1 29 68 29 69 parsed_2ksh 1
28 1 30 68 30 69 parsed_2ksh 1
29 1 31 68 31 69 parsed_2ksh 1
30 1 32 68 32 69 parsed_2ksh 1
31 1 33 68 33 69 parsed_2ksh 1
32 1 34 68 34 69 parsed_2ksh 1
33 1 35 68 35 69 parsed_2ksh 1
34 1 36 68 36 69 parsed_2ksh 1
35 1 37 68 37 69 parsed_2ksh 1
36 1 38 68 38 69 parsed_2ksh 1
37 1 39 68 39 69 parsed_2ksh 1
38 1 40 68 40 69 parsed_2ksh 1
39 1 41 68 41 69 parsed_2ksh 1
40 1 42 68 42 69 parsed_2ksh 1
41 1 43 68 43 69 parsed_2ksh 1
42 1 44 68 44 69 parsed_2ksh 1
43 1 45 68 45 69 parsed_2ksh 1
44 1 46 68 46 69 parsed_2ksh 1
45 1 47 68 47 69 parsed_2ksh 1
46 1 48 68 48 69 parsed_2ksh 1
47 1 49 68 49 69 parsed_2ksh 1
48 1 50 68 50 69 parsed_2ksh 1
49 1 51 68 51 69 parsed_2ksh 1
50 1 52 68 52 69 parsed_2ksh 1
51 1 53 68 53 69 parsed_2ksh 1
52 1 54 68 54 69 parsed_2ksh 1
53 1 55 68 55 69 parsed_2ksh 1
54 1 56 68 56 69 parsed_2ksh 1
55 1 57 68 57 69 parsed_2ksh 1
56 1 58 68 58 69 parsed_2ksh 1
57 1 59 68 59 69 parsed_2ksh 1
58 1 60 68 60 69 parsed_2ksh 1
59 1 61 68 61 69 parsed_2ksh 1
60 1 62 68 62 69 parsed_2ksh 1
61 1 63 68 63 69 parsed_2ksh 1
62 1 64 68 64 69 parsed_2ksh 1
63 1 65 68 65 69 parsed_2ksh 1
64 1 66 68 66 69 parsed_2ksh 1
65 1 67 68 67 69 parsed_2ksh 1
66 1 68 68 68 69 parsed_2ksh 1
67 1 69 68 69 69 parsed_2ksh 1
68 1 70 68 70 69 parsed_2ksh 1
69 1 71 68 71 69 parsed_2ksh 1
70 1 72 68 72 69 parsed_2ksh 1
71 1 73 68 73 69 parsed_2ksh 1
72 1 74 68 74 69 parsed_2ksh 1
73 1 75 68 75 69 parsed_2ksh 1
74 1 76 68 76 69 parsed_2ksh 1
75 1 77 68 77 69 parsed_2ksh 1
76 1 78 68 78 69 parsed_2ksh 1
77 1 79 68 79 69 parsed_2ksh 1
78 1 80 68 80 69 parsed_2ksh 1
79 1 81 68 81 69 parsed_2ksh 1
80 1 82 68 82 69 parsed_2ksh 1
81 1 83 68 83 69 parsed_2ksh 1
82 1 84 68 84 69 parsed_2ksh 1
83 1 85 68 85 69 parsed_2ksh 1
84 1 86 68 86 69 parsed_2ksh 1
85 1 87 68 87 69 parsed_2ksh 1
86 1 88 68 88 69 parsed_2ksh 1
87 1 89 68 89 69 parsed_2ksh 1
88 1 90 68 90 69 parsed_2ksh 1
stop_
save_
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