NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
478214 |
2l1v   |
17106 | cing | 2-parsed | STAR | dipolar coupling | 76 |
data_2l1v_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2l1v
_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_2l1v 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2l1v
_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 2l1v "Master copy" parsed_2l1v
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2l1v
_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 2l1v.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2l1v 1
1 2l1v.mr . . XPLOR/CNS 2 distance NOE simple 751 parsed_2l1v 1
1 2l1v.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 63 parsed_2l1v 1
1 2l1v.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 154 parsed_2l1v 1
1 2l1v.mr . . XPLOR/CNS 5 planarity "Not applicable" "Not applicable" 0 parsed_2l1v 1
1 2l1v.mr . . XPLOR/CNS 6 stereochemistry chirality "Not applicable" 0 parsed_2l1v 1
1 2l1v.mr . . XPLOR/CNS 7 "dipolar coupling" "Not applicable" "Not applicable" 76 parsed_2l1v 1
1 2l1v.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2l1v 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_7
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2l1v
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 7
_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 . . . . . . . . . . . . . . . . -2.106 -4.625 0.413 . . . 3 . C2 . 3 . H2 parsed_2l1v 1
2 . . . . . . . . . . . . . . . . -2.677 -5.196 -0.158 . . . 3 . C8 . 3 . H8 parsed_2l1v 1
3 . . . . . . . . . . . . . . . . 4.309 1.790 6.828 . . . 4 . C8 . 4 . H8 parsed_2l1v 1
4 . . . . . . . . . . . . . . . . 10.888 5.775 16.001 . . . 4 . N1 . 4 . H1 parsed_2l1v 1
5 . . . . . . . . . . . . . . . . 6.682 4.163 9.201 . . . 5 . C2 . 5 . H2 parsed_2l1v 1
6 . . . . . . . . . . . . . . . . 16.134 13.615 18.653 . . . 5 . C8 . 5 . H8 parsed_2l1v 1
7 . . . . . . . . . . . . . . . . 3.034 0.444 5.624 . . . 5 . C1' . 5 . H1' parsed_2l1v 1
8 . . . . . . . . . . . . . . . . 21.285 18.766 23.804 . . . 6 . C8 . 6 . H8 parsed_2l1v 1
9 . . . . . . . . . . . . . . . . 16.431 11.318 21.544 . . . 6 . N1 . 6 . H1 parsed_2l1v 1
10 . . . . . . . . . . . . . . . . 18.249 15.730 20.768 . . . 7 . C8 . 7 . H8 parsed_2l1v 1
11 . . . . . . . . . . . . . . . . 25.314 22.724 27.904 . . . 7 . C1' . 7 . H1' parsed_2l1v 1
12 . . . . . . . . . . . . . . . . 7.199 2.086 12.312 . . . 7 . N1 . 7 . H1 parsed_2l1v 1
13 . . . . . . . . . . . . . . . . 15.634 13.115 18.153 . . . 8 . C5 . 8 . H5 parsed_2l1v 1
14 . . . . . . . . . . . . . . . . 26.113 23.594 28.632 . . . 8 . C6 . 8 . H6 parsed_2l1v 1
15 . . . . . . . . . . . . . . . . 11.335 8.745 13.925 . . . 8 . C1' . 8 . H1' parsed_2l1v 1
16 . . . . . . . . . . . . . . . . 28.221 23.108 33.334 . . . 8 . N3 . 8 . H3 parsed_2l1v 1
17 . . . . . . . . . . . . . . . . 11.484 8.965 14.003 . . . 9 . C6 . 9 . H6 parsed_2l1v 1
18 . . . . . . . . . . . . . . . . 22.183 19.593 24.773 . . . 9 . C1' . 9 . H1' parsed_2l1v 1
19 . . . . . . . . . . . . . . . . 10.837 8.318 13.356 . . . 10 . C5 . 10 . H5 parsed_2l1v 1
20 . . . . . . . . . . . . . . . . -6.680 -9.199 -4.161 . . . 10 . C6 . 10 . H6 parsed_2l1v 1
21 . . . . . . . . . . . . . . . . 7.845 5.326 10.364 . . . 11 . C5 . 11 . H5 parsed_2l1v 1
22 . . . . . . . . . . . . . . . . 5.164 2.645 7.683 . . . 11 . C6 . 11 . H6 parsed_2l1v 1
23 . . . . . . . . . . . . . . . . -16.828 -19.418 -14.238 . . . 11 . C1' . 11 . H1' parsed_2l1v 1
24 . . . . . . . . . . . . . . . . 0.035 -2.484 2.554 . . . 12 . C2 . 12 . H2 parsed_2l1v 1
25 . . . . . . . . . . . . . . . . 13.621 11.102 16.140 . . . 12 . C8 . 12 . H8 parsed_2l1v 1
26 . . . . . . . . . . . . . . . . -17.176 -19.766 -14.586 . . . 12 . C1' . 12 . H1' parsed_2l1v 1
27 . . . . . . . . . . . . . . . . 25.105 22.586 27.624 . . . 13 . C8 . 13 . H8 parsed_2l1v 1
28 . . . . . . . . . . . . . . . . -10.237 -12.827 -7.647 . . . 13 . C1' . 13 . H1' parsed_2l1v 1
29 . . . . . . . . . . . . . . . . 22.500 17.387 27.613 . . . 13 . N1 . 13 . H1 parsed_2l1v 1
30 . . . . . . . . . . . . . . . . 10.500 7.981 13.019 . . . 18 . C2 . 18 . H2 parsed_2l1v 1
31 . . . . . . . . . . . . . . . . -1.148 -3.667 1.371 . . . 18 . C8 . 18 . H8 parsed_2l1v 1
32 . . . . . . . . . . . . . . . . -26.959 -29.549 -24.369 . . . 18 . C1' . 18 . H1' parsed_2l1v 1
33 . . . . . . . . . . . . . . . . -1.018 -3.537 1.501 . . . 19 . C5 . 19 . H5 parsed_2l1v 1
34 . . . . . . . . . . . . . . . . 3.787 1.268 6.306 . . . 19 . C6 . 19 . H6 parsed_2l1v 1
35 . . . . . . . . . . . . . . . . -13.765 -16.355 -11.175 . . . 19 . C1' . 19 . H1' parsed_2l1v 1
36 . . . . . . . . . . . . . . . . -0.456 -2.975 2.063 . . . 20 . C5 . 20 . H5 parsed_2l1v 1
37 . . . . . . . . . . . . . . . . 12.742 10.223 15.261 . . . 20 . C6 . 20 . H6 parsed_2l1v 1
38 . . . . . . . . . . . . . . . . -13.207 -15.797 -10.617 . . . 20 . C1' . 20 . H1' parsed_2l1v 1
39 . . . . . . . . . . . . . . . . 2.477 -0.042 4.996 . . . 21 . C5 . 21 . H5 parsed_2l1v 1
40 . . . . . . . . . . . . . . . . 20.511 17.992 23.030 . . . 21 . C6 . 21 . H6 parsed_2l1v 1
41 . . . . . . . . . . . . . . . . 4.615 2.025 7.205 . . . 21 . C1' . 21 . H1' parsed_2l1v 1
42 . . . . . . . . . . . . . . . . 9.442 6.923 11.961 . . . 22 . C5 . 22 . H5 parsed_2l1v 1
43 . . . . . . . . . . . . . . . . 18.957 16.438 21.476 . . . 22 . C6 . 22 . H6 parsed_2l1v 1
44 . . . . . . . . . . . . . . . . 20.457 15.344 25.570 . . . 22 . N3 . 22 . H3 parsed_2l1v 1
45 . . . . . . . . . . . . . . . . 25.509 22.990 28.028 . . . 23 . C5 . 23 . H5 parsed_2l1v 1
46 . . . . . . . . . . . . . . . . 9.799 7.280 12.318 . . . 23 . C6 . 23 . H6 parsed_2l1v 1
47 . . . . . . . . . . . . . . . . 18.718 16.128 21.308 . . . 23 . C1' . 23 . H1' parsed_2l1v 1
48 . . . . . . . . . . . . . . . . 15.187 12.668 17.706 . . . 24 . C5 . 24 . H5 parsed_2l1v 1
49 . . . . . . . . . . . . . . . . -3.545 -6.064 -1.026 . . . 24 . C6 . 24 . H6 parsed_2l1v 1
50 . . . . . . . . . . . . . . . . 18.669 16.079 21.259 . . . 24 . C1' . 24 . H1' parsed_2l1v 1
51 . . . . . . . . . . . . . . . . 2.626 -2.487 7.739 . . . 24 . N3 . 24 . H3 parsed_2l1v 1
52 . . . . . . . . . . . . . . . . 13.701 11.182 16.220 . . . 25 . C2 . 25 . H2 parsed_2l1v 1
53 . . . . . . . . . . . . . . . . -4.060 -6.579 -1.541 . . . 25 . C8 . 25 . H8 parsed_2l1v 1
54 . . . . . . . . . . . . . . . . 17.694 15.104 20.284 . . . 25 . C1' . 25 . H1' parsed_2l1v 1
55 . . . . . . . . . . . . . . . . 17.097 14.578 19.616 . . . 27 . C2 . 27 . H2 parsed_2l1v 1
56 . . . . . . . . . . . . . . . . 26.734 24.215 29.253 . . . 27 . C8 . 27 . H8 parsed_2l1v 1
57 . . . . . . . . . . . . . . . . -1.774 -4.364 0.816 . . . 27 . C1' . 27 . H1' parsed_2l1v 1
58 . . . . . . . . . . . . . . . . 18.055 15.536 20.574 . . . 28 . C8 . 28 . H8 parsed_2l1v 1
59 . . . . . . . . . . . . . . . . 8.640 6.050 11.230 . . . 28 . C1' . 28 . H1' parsed_2l1v 1
60 . . . . . . . . . . . . . . . . 29.504 26.985 32.023 . . . 29 . C2 . 29 . H2 parsed_2l1v 1
61 . . . . . . . . . . . . . . . . 14.972 12.453 17.491 . . . 29 . C8 . 29 . H8 parsed_2l1v 1
62 . . . . . . . . . . . . . . . . -1.388 -3.907 1.131 . . . 30 . C8 . 30 . H8 parsed_2l1v 1
63 . . . . . . . . . . . . . . . . 20.537 18.018 23.056 . . . 31 . C2 . 31 . H2 parsed_2l1v 1
64 . . . . . . . . . . . . . . . . -4.394 -6.913 -1.875 . . . 32 . C2 . 32 . H2 parsed_2l1v 1
65 . . . . . . . . . . . . . . . . -8.192 -10.711 -5.673 . . . 33 . C5 . 33 . H5 parsed_2l1v 1
66 . . . . . . . . . . . . . . . . 13.149 10.630 15.668 . . . 33 . C6 . 33 . H6 parsed_2l1v 1
67 . . . . . . . . . . . . . . . . -27.284 -29.874 -24.694 . . . 33 . C1' . 33 . H1' parsed_2l1v 1
68 . . . . . . . . . . . . . . . . 8.907 6.388 11.426 . . . 34 . C5 . 34 . H5 parsed_2l1v 1
69 . . . . . . . . . . . . . . . . 19.779 17.260 22.298 . . . 34 . C6 . 34 . H6 parsed_2l1v 1
70 . . . . . . . . . . . . . . . . -19.185 -21.775 -16.595 . . . 34 . C1' . 34 . H1' parsed_2l1v 1
71 . . . . . . . . . . . . . . . . 25.287 22.768 27.806 . . . 35 . C2 . 35 . H2 parsed_2l1v 1
72 . . . . . . . . . . . . . . . . 10.506 7.987 13.025 . . . 35 . C8 . 35 . H8 parsed_2l1v 1
73 . . . . . . . . . . . . . . . . -9.300 -11.890 -6.710 . . . 35 . C1' . 35 . H1' parsed_2l1v 1
74 . . . . . . . . . . . . . . . . 9.788 7.269 12.307 . . . 36 . C2 . 36 . H2 parsed_2l1v 1
75 . . . . . . . . . . . . . . . . -2.303 -4.822 0.216 . . . 36 . C8 . 36 . H8 parsed_2l1v 1
76 . . . . . . . . . . . . . . . . -1.906 -4.496 0.684 . . . 36 . C1' . 36 . H1' parsed_2l1v 1
stop_
save_
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