NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
577892 |
2mkl   |
19783 | cing | 2-parsed | STAR | dipolar coupling | 95 |
data_2mkl_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2mkl
_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_2mkl 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2mkl
_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 2mkl "Master copy" parsed_2mkl
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2mkl
_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 2mkl.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2mkl 1
1 2mkl.mr . . DYANA/DIANA 2 distance NOE simple 1265 parsed_2mkl 1
1 2mkl.mr . . DYANA/DIANA 3 "dihedral angle" "Not applicable" "Not applicable" 1011 parsed_2mkl 1
1 2mkl.mr . . unknown 4 unknown "Not applicable" "Not applicable" 0 parsed_2mkl 1
1 2mkl.mr . . DYANA/DIANA 5 "dipolar coupling" "Not applicable" "Not applicable" 95 parsed_2mkl 1
1 2mkl.mr . . DYANA/DIANA 6 distance "general distance" simple 0 parsed_2mkl 1
1 2mkl.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2mkl 1
stop_
save_
save_DYANA/DIANA_dipolar_coupling_5
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2mkl
_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 . . . . . . . . . . . . . . . . -2.594800 . . 3.000 . . 7 ILE H . 7 ILE N parsed_2mkl 1
2 . . . . . . . . . . . . . . . . 2.67580 . . 3.000 . . 8 SER H . 8 SER N parsed_2mkl 1
3 . . . . . . . . . . . . . . . . -5.270600 . . 3.000 . . 9 VAL H . 9 VAL N parsed_2mkl 1
4 . . . . . . . . . . . . . . . . -1.783900 . . 3.000 . . 10 SER H . 10 SER N parsed_2mkl 1
5 . . . . . . . . . . . . . . . . -20.02780 . . 3.000 . . 12 LEU H . 12 LEU N parsed_2mkl 1
6 . . . . . . . . . . . . . . . . -9.405700 . . 3.000 . . 28 VAL H . 28 VAL N parsed_2mkl 1
7 . . . . . . . . . . . . . . . . -24.73100 . . 3.000 . . 29 CYSS H . 29 CYSS N parsed_2mkl 1
8 . . . . . . . . . . . . . . . . -12.24440 . . 3.000 . . 31 ILE H . 31 ILE N parsed_2mkl 1
9 . . . . . . . . . . . . . . . . 10.7844 . . 3.000 . . 32 VAL H . 32 VAL N parsed_2mkl 1
10 . . . . . . . . . . . . . . . . 7.46000 . . 3.000 . . 33 TYR H . 33 TYR N parsed_2mkl 1
11 . . . . . . . . . . . . . . . . 11.2710 . . 3.000 . . 34 SER H . 34 SER N parsed_2mkl 1
12 . . . . . . . . . . . . . . . . 11.9196 . . 3.000 . . 36 LEU H . 36 LEU N parsed_2mkl 1
13 . . . . . . . . . . . . . . . . 15.5685 . . 3.000 . . 37 GLU H . 37 GLU N parsed_2mkl 1
14 . . . . . . . . . . . . . . . . -6.649100 . . 3.000 . . 40 LYS H . 40 LYS N parsed_2mkl 1
15 . . . . . . . . . . . . . . . . -36.00250 . . 3.000 . . 42 PHE H . 42 PHE N parsed_2mkl 1
16 . . . . . . . . . . . . . . . . -35.02900 . . 3.000 . . 43 TRP H . 43 TRP N parsed_2mkl 1
17 . . . . . . . . . . . . . . . . -34.29930 . . 3.000 . . 44 GLN H . 44 GLN N parsed_2mkl 1
18 . . . . . . . . . . . . . . . . -25.54260 . . 3.000 . . 45 VAL H . 45 VAL N parsed_2mkl 1
19 . . . . . . . . . . . . . . . . -22.21770 . . 3.000 . . 54 VAL H . 54 VAL N parsed_2mkl 1
20 . . . . . . . . . . . . . . . . -18.08240 . . 3.000 . . 55 GLU H . 55 GLU N parsed_2mkl 1
21 . . . . . . . . . . . . . . . . -14.83860 . . 3.000 . . 57 GLN H . 57 GLN N parsed_2mkl 1
22 . . . . . . . . . . . . . . . . 4.45970 . . 3.000 . . 58 ASN H . 58 ASN N parsed_2mkl 1
23 . . . . . . . . . . . . . . . . 9.24380 . . 3.000 . . 60 GLU H . 60 GLU N parsed_2mkl 1
24 . . . . . . . . . . . . . . . . 10.8655 . . 3.000 . . 66 SER H . 66 SER N parsed_2mkl 1
25 . . . . . . . . . . . . . . . . 7.70310 . . 3.000 . . 67 THR H . 67 THR N parsed_2mkl 1
26 . . . . . . . . . . . . . . . . -6.567900 . . 3.000 . . 68 ILE H . 68 ILE N parsed_2mkl 1
27 . . . . . . . . . . . . . . . . -19.94690 . . 3.000 . . 77 SER H . 77 SER N parsed_2mkl 1
28 . . . . . . . . . . . . . . . . 8.91940 . . 3.000 . . 78 GLU H . 78 GLU N parsed_2mkl 1
29 . . . . . . . . . . . . . . . . 0.64870 . . 3.000 . . 79 TRP H . 79 TRP N parsed_2mkl 1
30 . . . . . . . . . . . . . . . . 13.1360 . . 3.000 . . 82 GLY H . 82 GLY N parsed_2mkl 1
31 . . . . . . . . . . . . . . . . -4.946200 . . 3.000 . . 84 GLU H . 84 GLU N parsed_2mkl 1
32 . . . . . . . . . . . . . . . . -28.21770 . . 3.000 . . 85 TYR H . 85 TYR N parsed_2mkl 1
33 . . . . . . . . . . . . . . . . -33.81240 . . 3.000 . . 87 CYSS H . 87 CYSS N parsed_2mkl 1
34 . . . . . . . . . . . . . . . . -19.70390 . . 3.000 . . 89 VAL H . 89 VAL N parsed_2mkl 1
35 . . . . . . . . . . . . . . . . -33.73210 . . 3.000 . . 94 LEU H . 94 LEU N parsed_2mkl 1
36 . . . . . . . . . . . . . . . . -7.784000 . . 3.000 . . 98 VAL H . 98 VAL N parsed_2mkl 1
37 . . . . . . . . . . . . . . . . -35.19130 . . 3.000 . . 100 ALA H . 100 ALA N parsed_2mkl 1
38 . . . . . . . . . . . . . . . . 1.74335 . . 1.333 . . 7 ILE N . 6 ASP C parsed_2mkl 1
39 . . . . . . . . . . . . . . . . 1.5812 . . 1.333 . . 8 SER N . 7 ILE C parsed_2mkl 1
40 . . . . . . . . . . . . . . . . 2.1893 . . 1.333 . . 9 VAL N . 8 SER C parsed_2mkl 1
41 . . . . . . . . . . . . . . . . 1.419 . . 1.333 . . 10 SER N . 9 VAL C parsed_2mkl 1
42 . . . . . . . . . . . . . . . . 2.06765 . . 1.333 . . 11 LEU N . 10 SER C parsed_2mkl 1
43 . . . . . . . . . . . . . . . . -0.7298 . . 1.333 . . 12 LEU N . 11 LEU C parsed_2mkl 1
44 . . . . . . . . . . . . . . . . 1.9866 . . 1.333 . . 13 LYS N . 12 LEU C parsed_2mkl 1
45 . . . . . . . . . . . . . . . . -4.0138 . . 1.333 . . 28 VAL N . 27 ILE C parsed_2mkl 1
46 . . . . . . . . . . . . . . . . 2.59475 . . 1.333 . . 29 CYSS N . 28 VAL C parsed_2mkl 1
47 . . . . . . . . . . . . . . . . 2.51365 . . 1.333 . . 31 ILE N . 30 GLU C parsed_2mkl 1
48 . . . . . . . . . . . . . . . . -3.6489 . . 1.333 . . 32 VAL N . 31 ILE C parsed_2mkl 1
49 . . . . . . . . . . . . . . . . 2.5542 . . 1.333 . . 33 TYR N . 32 VAL C parsed_2mkl 1
50 . . . . . . . . . . . . . . . . 1.3785 . . 1.333 . . 34 SER N . 33 TYR C parsed_2mkl 1
51 . . . . . . . . . . . . . . . . 1.2974 . . 1.333 . . 35 ASP N . 34 SER C parsed_2mkl 1
52 . . . . . . . . . . . . . . . . -0.3649 . . 1.333 . . 36 LEU N . 35 ASP C parsed_2mkl 1
53 . . . . . . . . . . . . . . . . -1.3785 . . 1.333 . . 37 GLU N . 36 LEU C parsed_2mkl 1
54 . . . . . . . . . . . . . . . . 1.29735 . . 1.333 . . 39 ILE N . 38 ASN C parsed_2mkl 1
55 . . . . . . . . . . . . . . . . 1.82445 . . 1.333 . . 40 LYS N . 39 ILE C parsed_2mkl 1
56 . . . . . . . . . . . . . . . . 1.2163 . . 1.333 . . 41 VAL N . 40 LYS C parsed_2mkl 1
57 . . . . . . . . . . . . . . . . 0.973 . . 1.333 . . 42 PHE N . 41 VAL C parsed_2mkl 1
58 . . . . . . . . . . . . . . . . -1.0136 . . 1.333 . . 43 TRP N . 42 PHE C parsed_2mkl 1
59 . . . . . . . . . . . . . . . . 0.97305 . . 1.333 . . 44 GLN N . 43 TRP C parsed_2mkl 1
60 . . . . . . . . . . . . . . . . -2.5137 . . 1.333 . . 45 VAL N . 44 GLN C parsed_2mkl 1
61 . . . . . . . . . . . . . . . . 1.29735 . . 1.333 . . 47 GLY N . 46 ASN C parsed_2mkl 1
62 . . . . . . . . . . . . . . . . 1.5001 . . 1.333 . . 49 GLU N . 48 VAL C parsed_2mkl 1
63 . . . . . . . . . . . . . . . . -0.3243 . . 1.333 . . 50 ARG N . 49 GLU C parsed_2mkl 1
64 . . . . . . . . . . . . . . . . 0.72975 . . 1.333 . . 52 LYS N . 51 LYS C parsed_2mkl 1
65 . . . . . . . . . . . . . . . . -2.6353 . . 1.333 . . 55 GLU N . 54 VAL C parsed_2mkl 1
66 . . . . . . . . . . . . . . . . -3.0002 . . 1.333 . . 57 GLN N . 56 THR C parsed_2mkl 1
67 . . . . . . . . . . . . . . . . 1.25685 . . 1.333 . . 58 ASN N . 57 GLN C parsed_2mkl 1
68 . . . . . . . . . . . . . . . . -2.5137 . . 1.333 . . 60 GLU N . 59 PRO C parsed_2mkl 1
69 . . . . . . . . . . . . . . . . -1.2974 . . 1.333 . . 66 SER N . 65 LYS C parsed_2mkl 1
70 . . . . . . . . . . . . . . . . -0.6083 . . 1.333 . . 67 THR N . 66 SER C parsed_2mkl 1
71 . . . . . . . . . . . . . . . . 0.60815 . . 1.333 . . 68 ILE N . 67 THR C parsed_2mkl 1
72 . . . . . . . . . . . . . . . . 2.95965 . . 1.333 . . 72 LEU N . 71 LYS C parsed_2mkl 1
73 . . . . . . . . . . . . . . . . -4.176 . . 1.333 . . 73 LYS N . 72 LEU C parsed_2mkl 1
74 . . . . . . . . . . . . . . . . 1.66225 . . 1.333 . . 74 VAL N . 73 LYS C parsed_2mkl 1
75 . . . . . . . . . . . . . . . . 0.52705 . . 1.333 . . 75 MET N . 74 VAL C parsed_2mkl 1
76 . . . . . . . . . . . . . . . . 1.5812 . . 1.333 . . 76 ALA N . 75 MET C parsed_2mkl 1
77 . . . . . . . . . . . . . . . . -2.0272 . . 1.333 . . 77 SER N . 76 ALA C parsed_2mkl 1
78 . . . . . . . . . . . . . . . . 2.10825 . . 1.333 . . 78 GLU N . 77 SER C parsed_2mkl 1
79 . . . . . . . . . . . . . . . . 1.3379 . . 1.333 . . 79 TRP N . 78 GLU C parsed_2mkl 1
80 . . . . . . . . . . . . . . . . -0.6487 . . 1.333 . . 82 GLY N . 81 SER C parsed_2mkl 1
81 . . . . . . . . . . . . . . . . -2.4732 . . 1.333 . . 83 THR N . 82 GLY C parsed_2mkl 1
82 . . . . . . . . . . . . . . . . 1.9866 . . 1.333 . . 84 GLU N . 83 THR C parsed_2mkl 1
83 . . . . . . . . . . . . . . . . -1.4596 . . 1.333 . . 85 TYR N . 84 GLU C parsed_2mkl 1
84 . . . . . . . . . . . . . . . . 2.0677 . . 1.333 . . 86 VAL N . 85 TYR C parsed_2mkl 1
85 . . . . . . . . . . . . . . . . -1.7434 . . 1.333 . . 87 CYSS N . 86 VAL C parsed_2mkl 1
86 . . . . . . . . . . . . . . . . -0.2433 . . 1.333 . . 89 VAL N . 88 LEU C parsed_2mkl 1
87 . . . . . . . . . . . . . . . . -0.6892 . . 1.333 . . 90 GLU N . 89 VAL C parsed_2mkl 1
88 . . . . . . . . . . . . . . . . 0.3649 . . 1.333 . . 91 ASP N . 90 GLU C parsed_2mkl 1
89 . . . . . . . . . . . . . . . . -1.4595 . . 1.333 . . 93 GLU N . 92 SER C parsed_2mkl 1
90 . . . . . . . . . . . . . . . . 1.2568 . . 1.333 . . 94 LEU N . 93 GLU C parsed_2mkl 1
91 . . . . . . . . . . . . . . . . 1.5812 . . 1.333 . . 98 VAL N . 97 PRO C parsed_2mkl 1
92 . . . . . . . . . . . . . . . . 1.3379 . . 1.333 . . 99 LYS N . 98 VAL C parsed_2mkl 1
93 . . . . . . . . . . . . . . . . 1.05415 . . 1.333 . . 100 ALA N . 99 LYS C parsed_2mkl 1
94 . . . . . . . . . . . . . . . . 2.22985 . . 1.333 . . 101 SER N . 100 ALA C parsed_2mkl 1
95 . . . . . . . . . . . . . . . . 0.1622 . . 1.333 . . 104 LYS N . 103 ARG C parsed_2mkl 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 "First atom Second atom RDC Error Weight Orientation" 1 1 1 86 parsed_2mkl 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 2 81 2 82 parsed_2mkl 1
2 1 3 81 3 82 parsed_2mkl 1
3 1 4 81 4 82 parsed_2mkl 1
4 1 5 81 5 82 parsed_2mkl 1
5 1 6 81 6 82 parsed_2mkl 1
6 1 7 43 7 44 parsed_2mkl 1
7 1 8 45 8 46 parsed_2mkl 1
8 1 9 43 9 44 parsed_2mkl 1
9 1 10 42 10 43 parsed_2mkl 1
10 1 11 42 11 43 parsed_2mkl 1
11 1 12 42 12 43 parsed_2mkl 1
12 1 13 42 13 43 parsed_2mkl 1
13 1 14 42 14 43 parsed_2mkl 1
14 1 15 43 15 44 parsed_2mkl 1
15 1 16 43 16 44 parsed_2mkl 1
16 1 17 43 17 44 parsed_2mkl 1
17 1 18 43 18 44 parsed_2mkl 1
18 1 19 43 19 44 parsed_2mkl 1
19 1 20 81 20 82 parsed_2mkl 1
20 1 21 81 21 82 parsed_2mkl 1
21 1 22 81 22 82 parsed_2mkl 1
22 1 23 81 23 82 parsed_2mkl 1
23 1 24 81 24 82 parsed_2mkl 1
24 1 25 42 25 43 parsed_2mkl 1
25 1 26 42 26 43 parsed_2mkl 1
26 1 27 43 27 44 parsed_2mkl 1
27 1 28 43 28 44 parsed_2mkl 1
28 1 29 42 29 43 parsed_2mkl 1
29 1 30 42 30 43 parsed_2mkl 1
30 1 31 42 31 43 parsed_2mkl 1
31 1 32 43 32 44 parsed_2mkl 1
32 1 33 43 33 44 parsed_2mkl 1
33 1 34 45 34 46 parsed_2mkl 1
34 1 35 43 35 44 parsed_2mkl 1
35 1 36 43 36 44 parsed_2mkl 1
36 1 37 43 37 44 parsed_2mkl 1
37
;
1
#
;
38 43 39 3 parsed_2mkl 1
38 1 40 39 40 40 parsed_2mkl 1
39 1 41 38 41 39 parsed_2mkl 1
40 1 42 38 42 39 parsed_2mkl 1
41 1 43 38 43 39 parsed_2mkl 1
42 1 44 40 44 41 parsed_2mkl 1
43 1 45 40 45 41 parsed_2mkl 1
44 1 46 39 46 40 parsed_2mkl 1
45 1 47 40 47 41 parsed_2mkl 1
46 1 48 41 48 42 parsed_2mkl 1
47 1 49 40 49 41 parsed_2mkl 1
48 1 50 40 50 41 parsed_2mkl 1
49 1 51 39 51 40 parsed_2mkl 1
50 1 52 39 52 40 parsed_2mkl 1
51 1 53 39 53 40 parsed_2mkl 1
52 1 54 40 54 41 parsed_2mkl 1
53 1 55 40 55 41 parsed_2mkl 1
54 1 56 40 56 41 parsed_2mkl 1
55 1 57 40 57 41 parsed_2mkl 1
56 1 58 39 58 40 parsed_2mkl 1
57 1 59 38 59 39 parsed_2mkl 1
58 1 60 40 60 41 parsed_2mkl 1
59 1 61 40 61 41 parsed_2mkl 1
60 1 62 40 62 41 parsed_2mkl 1
61 1 63 40 63 41 parsed_2mkl 1
62 1 64 39 64 40 parsed_2mkl 1
63 1 65 40 65 41 parsed_2mkl 1
64 1 66 40 66 41 parsed_2mkl 1
65 1 67 40 67 41 parsed_2mkl 1
66 1 68 40 68 41 parsed_2mkl 1
67 1 69 40 69 41 parsed_2mkl 1
68 1 70 40 70 41 parsed_2mkl 1
69 1 71 40 71 41 parsed_2mkl 1
70 1 72 40 72 41 parsed_2mkl 1
71 1 73 40 73 41 parsed_2mkl 1
72 1 74 40 74 41 parsed_2mkl 1
73 1 75 39 75 40 parsed_2mkl 1
74 1 76 40 76 41 parsed_2mkl 1
75 1 77 40 77 41 parsed_2mkl 1
76 1 78 39 78 40 parsed_2mkl 1
77 1 79 40 79 41 parsed_2mkl 1
78 1 80 40 80 41 parsed_2mkl 1
79 1 81 39 81 40 parsed_2mkl 1
80 1 82 40 82 41 parsed_2mkl 1
81 1 83 40 83 41 parsed_2mkl 1
82 1 84 39 84 40 parsed_2mkl 1
83 1 85 40 85 41 parsed_2mkl 1
84 1 86 39 86 40 parsed_2mkl 1
85 1 87 41 87 42 parsed_2mkl 1
86 1 88 40 88 41 parsed_2mkl 1
87 1 89 40 89 41 parsed_2mkl 1
88 1 90 39 90 40 parsed_2mkl 1
89 1 91 40 91 41 parsed_2mkl 1
90 1 92 39 92 40 parsed_2mkl 1
91 1 93 39 93 40 parsed_2mkl 1
92 1 94 39 94 40 parsed_2mkl 1
93 1 95 41 95 42 parsed_2mkl 1
94 1 96 41 96 42 parsed_2mkl 1
95 1 97 40 97 41 parsed_2mkl 1
stop_
save_
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