NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
609553 |
5kmz   |
cing | 2-parsed | STAR | dipolar coupling | 77 |
data_5kmz_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5kmz
_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_5kmz 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5kmz
_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 5kmz "Master copy" parsed_5kmz
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5kmz
_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 5kmz.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5kmz 1
1 5kmz.mr . . XPLOR/CNS 2 distance NOE simple 416 parsed_5kmz 1
1 5kmz.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 83 parsed_5kmz 1
1 5kmz.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 174 parsed_5kmz 1
1 5kmz.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 77 parsed_5kmz 1
1 5kmz.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5kmz 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_5
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_5kmz
_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 . . . . . . . . . . . . . . . . 32.698 25.028 40.368 . . . 7 . N3 . 7 . H3 parsed_5kmz 1
2 . . . . . . . . . . . . . . . . 29.103 21.433 36.773 . . . 14 . N3 . 14 . H3 parsed_5kmz 1
3 . . . . . . . . . . . . . . . . 26.915 19.245 34.585 . . . 15 . N3 . 15 . H3 parsed_5kmz 1
4 . . . . . . . . . . . . . . . . 51.130 43.460 58.800 . . . 17 . N1 . 17 . H1 parsed_5kmz 1
5 . . . . . . . . . . . . . . . . 46.644 38.974 54.314 . . . 18 . N1 . 18 . H1 parsed_5kmz 1
6 . . . . . . . . . . . . . . . . 41.436 33.766 49.106 . . . 19 . N3 . 19 . H3 parsed_5kmz 1
7 . . . . . . . . . . . . . . . . 33.214 25.544 40.884 . . . 28 . N1 . 28 . H1 parsed_5kmz 1
8 . . . . . . . . . . . . . . . . 39.555 31.885 47.225 . . . 29 . N3 . 29 . H3 parsed_5kmz 1
9 . . . . . . . . . . . . . . . . 33.289 25.619 40.959 . . . 30 . N1 . 30 . H1 parsed_5kmz 1
10 . . . . . . . . . . . . . . . . 17.341 9.671 25.011 . . . 31 . N1 . 31 . H1 parsed_5kmz 1
11 . . . . . . . . . . . . . . . . 27.043 23.264 30.822 . . . 2 . C8 . 2 . H8 parsed_5kmz 1
12 . . . . . . . . . . . . . . . . 28.298 24.519 32.077 . . . 3 . C8 . 3 . H8 parsed_5kmz 1
13 . . . . . . . . . . . . . . . . 40.888 37.109 44.667 . . . 4 . C6 . 4 . H6 parsed_5kmz 1
14 . . . . . . . . . . . . . . . . 41.736 37.957 45.515 . . . 5 . C6 . 5 . H6 parsed_5kmz 1
15 . . . . . . . . . . . . . . . . 17.783 14.004 21.562 . . . 9 . C8 . 9 . H8 parsed_5kmz 1
16 . . . . . . . . . . . . . . . . -3.433 -7.212 0.346 . . . 10 . C6 . 10 . H6 parsed_5kmz 1
17 . . . . . . . . . . . . . . . . 22.496 18.717 26.275 . . . 11 . C6 . 11 . H6 parsed_5kmz 1
18 . . . . . . . . . . . . . . . . 30.862 27.083 34.641 . . . 12 . C8 . 12 . H8 parsed_5kmz 1
19 . . . . . . . . . . . . . . . . 3.396 -0.383 7.175 . . . 13 . C8 . 13 . H8 parsed_5kmz 1
20 . . . . . . . . . . . . . . . . 25.728 21.949 29.507 . . . 14 . C6 . 14 . H6 parsed_5kmz 1
21 . . . . . . . . . . . . . . . . 25.228 21.449 29.007 . . . 15 . C6 . 15 . H6 parsed_5kmz 1
22 . . . . . . . . . . . . . . . . 28.973 25.194 32.752 . . . 16 . C8 . 16 . H8 parsed_5kmz 1
23 . . . . . . . . . . . . . . . . 37.112 33.333 40.891 . . . 17 . C8 . 17 . H8 parsed_5kmz 1
24 . . . . . . . . . . . . . . . . 44.746 40.967 48.525 . . . 18 . C8 . 18 . H8 parsed_5kmz 1
25 . . . . . . . . . . . . . . . . 30.756 26.977 34.535 . . . 19 . C6 . 19 . H6 parsed_5kmz 1
26 . . . . . . . . . . . . . . . . 14.290 10.511 18.069 . . . 20 . C6 . 20 . H6 parsed_5kmz 1
27 . . . . . . . . . . . . . . . . 16.128 12.349 19.907 . . . 21 . C6 . 21 . H6 parsed_5kmz 1
28 . . . . . . . . . . . . . . . . 14.007 10.228 17.786 . . . 22 . C8 . 22 . H8 parsed_5kmz 1
29 . . . . . . . . . . . . . . . . 35.194 31.415 38.973 . . . 23 . C8 . 23 . H8 parsed_5kmz 1
30 . . . . . . . . . . . . . . . . 37.301 33.522 41.080 . . . 24 . C8 . 24 . H8 parsed_5kmz 1
31 . . . . . . . . . . . . . . . . 18.563 14.784 22.342 . . . 25 . C6 . 25 . H6 parsed_5kmz 1
32 . . . . . . . . . . . . . . . . 23.196 19.417 26.975 . . . 26 . C8 . 26 . H8 parsed_5kmz 1
33 . . . . . . . . . . . . . . . . 27.265 23.486 31.044 . . . 27 . C8 . 27 . H8 parsed_5kmz 1
34 . . . . . . . . . . . . . . . . 4.772 0.993 8.551 . . . 28 . C8 . 28 . H8 parsed_5kmz 1
35 . . . . . . . . . . . . . . . . 31.708 27.929 35.487 . . . 29 . C6 . 29 . H6 parsed_5kmz 1
36 . . . . . . . . . . . . . . . . 25.187 21.408 28.966 . . . 30 . C8 . 30 . H8 parsed_5kmz 1
37 . . . . . . . . . . . . . . . . 14.284 10.505 18.063 . . . 31 . C8 . 31 . H8 parsed_5kmz 1
38 . . . . . . . . . . . . . . . . 22.947 19.168 26.726 . . . 2 . C2 . 2 . H2 parsed_5kmz 1
39 . . . . . . . . . . . . . . . . 24.159 20.380 27.938 . . . 3 . C2 . 3 . H2 parsed_5kmz 1
40 . . . . . . . . . . . . . . . . 23.539 19.760 27.318 . . . 12 . C2 . 12 . H2 parsed_5kmz 1
41 . . . . . . . . . . . . . . . . 27.125 23.346 30.904 . . . 13 . C2 . 13 . H2 parsed_5kmz 1
42 . . . . . . . . . . . . . . . . 29.489 25.710 33.268 . . . 16 . C2 . 16 . H2 parsed_5kmz 1
43 . . . . . . . . . . . . . . . . 38.517 34.738 42.296 . . . 22 . C2 . 22 . H2 parsed_5kmz 1
44 . . . . . . . . . . . . . . . . 20.697 16.918 24.476 . . . 23 . C2 . 23 . H2 parsed_5kmz 1
45 . . . . . . . . . . . . . . . . 4.279 0.500 8.058 . . . 24 . C2 . 24 . H2 parsed_5kmz 1
46 . . . . . . . . . . . . . . . . 34.265 30.486 38.044 . . . 26 . C2 . 26 . H2 parsed_5kmz 1
47 . . . . . . . . . . . . . . . . 34.063 30.284 37.842 . . . 27 . C2 . 27 . H2 parsed_5kmz 1
48 . . . . . . . . . . . . . . . . 31.960 28.181 35.739 . . . 5 . C5 . 5 . H5 parsed_5kmz 1
49 . . . . . . . . . . . . . . . . 30.393 26.614 34.172 . . . 7 . C5 . 7 . H5 parsed_5kmz 1
50 . . . . . . . . . . . . . . . . 4.081 0.302 7.860 . . . 11 . C5 . 11 . H5 parsed_5kmz 1
51 . . . . . . . . . . . . . . . . 22.696 18.917 26.475 . . . 14 . C5 . 14 . H5 parsed_5kmz 1
52 . . . . . . . . . . . . . . . . 21.376 17.597 25.155 . . . 15 . C5 . 15 . H5 parsed_5kmz 1
53 . . . . . . . . . . . . . . . . 39.799 36.020 43.578 . . . 20 . C5 . 20 . H5 parsed_5kmz 1
54 . . . . . . . . . . . . . . . . 10.427 6.648 14.206 . . . 21 . C5 . 21 . H5 parsed_5kmz 1
55 . . . . . . . . . . . . . . . . 40.725 36.946 44.504 . . . 25 . C5 . 25 . H5 parsed_5kmz 1
56 . . . . . . . . . . . . . . . . 10.694 6.915 14.473 . . . 29 . C5 . 29 . H5 parsed_5kmz 1
57 . . . . . . . . . . . . . . . . -36.376 -40.261 -32.491 . . . 2 . C1' . 2 . H1' parsed_5kmz 1
58 . . . . . . . . . . . . . . . . -46.767 -50.652 -42.882 . . . 3 . C1' . 3 . H1' parsed_5kmz 1
59 . . . . . . . . . . . . . . . . -26.469 -30.354 -22.584 . . . 4 . C1' . 4 . H1' parsed_5kmz 1
60 . . . . . . . . . . . . . . . . 30.131 26.246 34.016 . . . 7 . C1' . 7 . H1' parsed_5kmz 1
61 . . . . . . . . . . . . . . . . -30.400 -34.285 -26.515 . . . 8 . C1' . 8 . H1' parsed_5kmz 1
62 . . . . . . . . . . . . . . . . -32.330 -36.215 -28.445 . . . 9 . C1' . 9 . H1' parsed_5kmz 1
63 . . . . . . . . . . . . . . . . -49.268 -53.153 -45.383 . . . 10 . C1' . 10 . H1' parsed_5kmz 1
64 . . . . . . . . . . . . . . . . -52.174 -56.059 -48.289 . . . 11 . C1' . 11 . H1' parsed_5kmz 1
65 . . . . . . . . . . . . . . . . -50.383 -54.268 -46.498 . . . 12 . C1' . 12 . H1' parsed_5kmz 1
66 . . . . . . . . . . . . . . . . -43.456 -47.341 -39.571 . . . 14 . C1' . 14 . H1' parsed_5kmz 1
67 . . . . . . . . . . . . . . . . -57.085 -60.970 -53.200 . . . 15 . C1' . 15 . H1' parsed_5kmz 1
68 . . . . . . . . . . . . . . . . -21.222 -25.107 -17.337 . . . 17 . C1' . 17 . H1' parsed_5kmz 1
69 . . . . . . . . . . . . . . . . -22.161 -26.046 -18.276 . . . 18 . C1' . 18 . H1' parsed_5kmz 1
70 . . . . . . . . . . . . . . . . 41.665 37.780 45.550 . . . 19 . C1' . 19 . H1' parsed_5kmz 1
71 . . . . . . . . . . . . . . . . -2.516 -6.401 1.369 . . . 20 . C1' . 20 . H1' parsed_5kmz 1
72 . . . . . . . . . . . . . . . . 10.609 6.724 14.494 . . . 25 . C1' . 25 . H1' parsed_5kmz 1
73 . . . . . . . . . . . . . . . . -29.879 -33.764 -25.994 . . . 26 . C1' . 26 . H1' parsed_5kmz 1
74 . . . . . . . . . . . . . . . . -9.790 -13.675 -5.905 . . . 27 . C1' . 27 . H1' parsed_5kmz 1
75 . . . . . . . . . . . . . . . . -27.398 -31.283 -23.513 . . . 28 . C1' . 28 . H1' parsed_5kmz 1
76 . . . . . . . . . . . . . . . . -34.661 -38.546 -30.776 . . . 29 . C1' . 29 . H1' parsed_5kmz 1
77 . . . . . . . . . . . . . . . . -30.837 -34.722 -26.952 . . . 30 . C1' . 30 . H1' parsed_5kmz 1
stop_
save_
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