NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
490397 |
2l3e   |
17188 | cing | 2-parsed | STAR | dipolar coupling | 76 |
data_2l3e_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2l3e
_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_2l3e 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2l3e
_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 2l3e "Master copy" parsed_2l3e
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2l3e
_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 2l3e.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2l3e 1
1 2l3e.mr . . XPLOR/CNS 2 distance NOE simple 785 parsed_2l3e 1
1 2l3e.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 73 parsed_2l3e 1
1 2l3e.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 230 parsed_2l3e 1
1 2l3e.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 76 parsed_2l3e 1
1 2l3e.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2l3e 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_5
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2l3e
_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 . . . . . . . . . . . . . . . . -25.495 -28.014 -22.976 . . . 1 . C8 . 1 . H8 parsed_2l3e 1
2 . . . . . . . . . . . . . . . . -25.227 -27.746 -22.708 . . . 2 . C8 . 2 . H8 parsed_2l3e 1
3 . . . . . . . . . . . . . . . . 26.407 23.888 28.926 . . . 4 . C6 . 4 . H6 parsed_2l3e 1
4 . . . . . . . . . . . . . . . . 22.269 19.750 24.788 . . . 5 . C6 . 5 . H6 parsed_2l3e 1
5 . . . . . . . . . . . . . . . . 5.523 3.004 8.042 . . . 6 . C6 . 6 . H6 parsed_2l3e 1
6 . . . . . . . . . . . . . . . . 0.422 -2.097 2.941 . . . 7 . C6 . 7 . H6 parsed_2l3e 1
7 . . . . . . . . . . . . . . . . -5.346 -7.865 -2.827 . . . 29 . C8 . 29 . H8 parsed_2l3e 1
8 . . . . . . . . . . . . . . . . -4.828 -7.347 -2.309 . . . 30 . C8 . 30 . H8 parsed_2l3e 1
9 . . . . . . . . . . . . . . . . 23.177 20.658 25.696 . . . 33 . C8 . 33 . H8 parsed_2l3e 1
10 . . . . . . . . . . . . . . . . -14.130 -16.649 -11.611 . . . 34 . C6 . 34 . H6 parsed_2l3e 1
11 . . . . . . . . . . . . . . . . -31.565 -34.084 -29.046 . . . 35 . C6 . 35 . H6 parsed_2l3e 1
12 . . . . . . . . . . . . . . . . 13.640 11.121 16.159 . . . 29 . C2 . 29 . H2 parsed_2l3e 1
13 . . . . . . . . . . . . . . . . 8.800 6.281 11.319 . . . 32 . C2 . 32 . H2 parsed_2l3e 1
14 . . . . . . . . . . . . . . . . -15.537 -18.056 -13.018 . . . 4 . C5 . 4 . H5 parsed_2l3e 1
15 . . . . . . . . . . . . . . . . 9.984 7.465 12.503 . . . 5 . C5 . 5 . H5 parsed_2l3e 1
16 . . . . . . . . . . . . . . . . 26.574 24.055 29.093 . . . 6 . C5 . 6 . H5 parsed_2l3e 1
17 . . . . . . . . . . . . . . . . 18.882 16.363 21.401 . . . 7 . C5 . 7 . H5 parsed_2l3e 1
18 . . . . . . . . . . . . . . . . 26.523 24.004 29.042 . . . 34 . C5 . 34 . H5 parsed_2l3e 1
19 . . . . . . . . . . . . . . . . 18.781 16.262 21.300 . . . 35 . C5 . 35 . H5 parsed_2l3e 1
20 . . . . . . . . . . . . . . . . -35.062 -37.652 -32.472 . . . 2 . C1' . 2 . H1' parsed_2l3e 1
21 . . . . . . . . . . . . . . . . 15.351 12.761 17.941 . . . 6 . C1' . 6 . H1' parsed_2l3e 1
22 . . . . . . . . . . . . . . . . 22.038 19.448 24.628 . . . 7 . C1' . 7 . H1' parsed_2l3e 1
23 . . . . . . . . . . . . . . . . 7.323 4.733 9.913 . . . 29 . C1' . 29 . H1' parsed_2l3e 1
24 . . . . . . . . . . . . . . . . 15.988 13.398 18.578 . . . 30 . C1' . 30 . H1' parsed_2l3e 1
25 . . . . . . . . . . . . . . . . 20.841 18.251 23.431 . . . 31 . C1' . 31 . H1' parsed_2l3e 1
26 . . . . . . . . . . . . . . . . 23.471 20.881 26.061 . . . 33 . C1' . 33 . H1' parsed_2l3e 1
27 . . . . . . . . . . . . . . . . 14.131 11.541 16.721 . . . 34 . C1' . 34 . H1' parsed_2l3e 1
28 . . . . . . . . . . . . . . . . 1.181 -1.409 3.771 . . . 35 . C1' . 35 . H1' parsed_2l3e 1
29 . . . . . . . . . . . . . . . . -6.882 -9.439 -4.325 . . . 2 . N1 . 2 . H1 parsed_2l3e 1
30 . . . . . . . . . . . . . . . . 23.438 20.881 25.995 . . . 4 . N3 . 4 . H3 parsed_2l3e 1
31 . . . . . . . . . . . . . . . . 20.731 18.174 23.288 . . . 5 . N3 . 5 . H3 parsed_2l3e 1
32 . . . . . . . . . . . . . . . . 6.166 3.609 8.723 . . . 6 . N3 . 6 . H3 parsed_2l3e 1
33 . . . . . . . . . . . . . . . . 8.567 6.010 11.124 . . . 33 . N1 . 33 . H1 parsed_2l3e 1
34 . . . . . . . . . . . . . . . . 2.909 0.390 5.428 . . . 8 . C8 . 8 . H8 parsed_2l3e 1
35 . . . . . . . . . . . . . . . . 21.461 18.871 24.051 . . . 8 . C1' . 8 . H1' parsed_2l3e 1
36 . . . . . . . . . . . . . . . . -3.672 -6.191 -1.153 . . . 13 . C6 . 13 . H6 parsed_2l3e 1
37 . . . . . . . . . . . . . . . . 27.496 24.977 30.015 . . . 14 . C6 . 14 . H6 parsed_2l3e 1
38 . . . . . . . . . . . . . . . . 38.375 35.856 40.894 . . . 15 . C8 . 15 . H8 parsed_2l3e 1
39 . . . . . . . . . . . . . . . . 30.699 28.180 33.218 . . . 16 . C6 . 16 . H6 parsed_2l3e 1
40 . . . . . . . . . . . . . . . . 24.860 22.341 27.379 . . . 17 . C8 . 17 . H8 parsed_2l3e 1
41 . . . . . . . . . . . . . . . . 17.242 14.723 19.761 . . . 18 . C6 . 18 . H6 parsed_2l3e 1
42 . . . . . . . . . . . . . . . . 16.430 13.911 18.949 . . . 23 . C8 . 23 . H8 parsed_2l3e 1
43 . . . . . . . . . . . . . . . . 24.813 22.294 27.332 . . . 25 . C8 . 25 . H8 parsed_2l3e 1
44 . . . . . . . . . . . . . . . . 40.561 38.042 43.080 . . . 26 . C6 . 26 . H6 parsed_2l3e 1
45 . . . . . . . . . . . . . . . . 38.373 35.854 40.892 . . . 27 . C8 . 27 . H8 parsed_2l3e 1
46 . . . . . . . . . . . . . . . . 18.714 16.195 21.233 . . . 28 . C8 . 28 . H8 parsed_2l3e 1
47 . . . . . . . . . . . . . . . . 12.351 9.832 14.870 . . . 25 . C2 . 25 . H2 parsed_2l3e 1
48 . . . . . . . . . . . . . . . . -18.184 -20.703 -15.665 . . . 13 . C5 . 13 . H5 parsed_2l3e 1
49 . . . . . . . . . . . . . . . . -22.278 -24.797 -19.759 . . . 14 . C5 . 14 . H5 parsed_2l3e 1
50 . . . . . . . . . . . . . . . . 28.986 26.467 31.505 . . . 16 . C5 . 16 . H5 parsed_2l3e 1
51 . . . . . . . . . . . . . . . . 31.522 29.003 34.041 . . . 18 . C5 . 18 . H5 parsed_2l3e 1
52 . . . . . . . . . . . . . . . . 15.517 12.998 18.036 . . . 26 . C5 . 26 . H5 parsed_2l3e 1
53 . . . . . . . . . . . . . . . . -41.960 -44.550 -39.370 . . . 15 . C1' . 15 . H1' parsed_2l3e 1
54 . . . . . . . . . . . . . . . . -5.339 -7.929 -2.749 . . . 16 . C1' . 16 . H1' parsed_2l3e 1
55 . . . . . . . . . . . . . . . . 15.662 13.072 18.252 . . . 18 . C1' . 18 . H1' parsed_2l3e 1
56 . . . . . . . . . . . . . . . . -26.587 -29.177 -23.997 . . . 23 . C1' . 23 . H1' parsed_2l3e 1
57 . . . . . . . . . . . . . . . . -4.175 -6.765 -1.585 . . . 24 . C1' . 24 . H1' parsed_2l3e 1
58 . . . . . . . . . . . . . . . . 7.190 4.600 9.780 . . . 25 . C1' . 25 . H1' parsed_2l3e 1
59 . . . . . . . . . . . . . . . . 15.880 13.290 18.470 . . . 26 . C1' . 26 . H1' parsed_2l3e 1
60 . . . . . . . . . . . . . . . . 28.225 25.635 30.815 . . . 28 . C1' . 28 . H1' parsed_2l3e 1
61 . . . . . . . . . . . . . . . . 34.153 31.596 36.710 . . . 15 . N1 . 15 . H1 parsed_2l3e 1
62 . . . . . . . . . . . . . . . . 28.730 26.173 31.287 . . . 16 . N3 . 16 . H3 parsed_2l3e 1
63 . . . . . . . . . . . . . . . . 11.770 9.213 14.327 . . . 17 . N1 . 17 . H1 parsed_2l3e 1
64 . . . . . . . . . . . . . . . . 12.005 9.448 14.562 . . . 23 . N1 . 23 . H1 parsed_2l3e 1
65 . . . . . . . . . . . . . . . . 25.100 22.543 27.657 . . . 27 . N1 . 27 . H1 parsed_2l3e 1
66 . . . . . . . . . . . . . . . . 25.811 23.292 28.330 . . . 19 . C6 . 19 . H6 parsed_2l3e 1
67 . . . . . . . . . . . . . . . . 28.374 25.855 30.893 . . . 20 . C6 . 20 . H6 parsed_2l3e 1
68 . . . . . . . . . . . . . . . . -14.731 -17.250 -12.212 . . . 21 . C6 . 21 . H6 parsed_2l3e 1
69 . . . . . . . . . . . . . . . . 2.221 -0.298 4.740 . . . 22 . C8 . 22 . H8 parsed_2l3e 1
70 . . . . . . . . . . . . . . . . 16.990 14.471 19.509 . . . 19 . C5 . 19 . H5 parsed_2l3e 1
71 . . . . . . . . . . . . . . . . -13.338 -15.857 -10.819 . . . 20 . C5 . 20 . H5 parsed_2l3e 1
72 . . . . . . . . . . . . . . . . 6.891 4.372 9.410 . . . 21 . C5 . 21 . H5 parsed_2l3e 1
73 . . . . . . . . . . . . . . . . 14.065 11.475 16.655 . . . 19 . C1' . 19 . H1' parsed_2l3e 1
74 . . . . . . . . . . . . . . . . -9.258 -11.848 -6.668 . . . 20 . C1' . 20 . H1' parsed_2l3e 1
75 . . . . . . . . . . . . . . . . -16.830 -19.420 -14.240 . . . 21 . C1' . 21 . H1' parsed_2l3e 1
76 . . . . . . . . . . . . . . . . -4.044 -6.634 -1.454 . . . 22 . C1' . 22 . H1' parsed_2l3e 1
stop_
save_
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