NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
51671 |
2k96   |
cing | 2-parsed | STAR | dipolar coupling | 74 |
data_2k96_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2k96
_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_2k96 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2k96
_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 2k96 "Master copy" parsed_2k96
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2k96
_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 2k96.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2k96 1
1 2k96.mr . . XPLOR/CNS 2 distance NOE simple 744 parsed_2k96 1
1 2k96.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 91 parsed_2k96 1
1 2k96.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 74 parsed_2k96 1
1 2k96.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2k96 1
1 2k96.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2k96 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_4
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2k96
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 4
_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 . . . . . . . . . . . . . . . . 17.091 14.091 20.091 . . . 10 . C6 . 10 . H6 parsed_2k96 1
2 . . . . . . . . . . . . . . . . 27.371 24.371 30.371 . . . 11 . C6 . 11 . H6 parsed_2k96 1
3 . . . . . . . . . . . . . . . . 44.323 41.323 47.323 . . . 15 . C8 . 15 . H8 parsed_2k96 1
4 . . . . . . . . . . . . . . . . 34.142 31.142 37.142 . . . 18 . C8 . 18 . H8 parsed_2k96 1
5 . . . . . . . . . . . . . . . . 40.738 37.738 43.738 . . . 19 . C8 . 19 . H8 parsed_2k96 1
6 . . . . . . . . . . . . . . . . 32.878 29.878 35.878 . . . 20 . C6 . 20 . H6 parsed_2k96 1
7 . . . . . . . . . . . . . . . . 26.916 23.916 29.916 . . . 21 . C6 . 21 . H6 parsed_2k96 1
8 . . . . . . . . . . . . . . . . 25.083 22.083 28.083 . . . 38 . C8 . 38 . H8 parsed_2k96 1
9 . . . . . . . . . . . . . . . . 35.409 32.409 38.409 . . . 39 . C8 . 39 . H8 parsed_2k96 1
10 . . . . . . . . . . . . . . . . 43.599 40.599 46.599 . . . 41 . C8 . 41 . H8 parsed_2k96 1
11 . . . . . . . . . . . . . . . . 41.040 38.040 44.040 . . . 45 . C8 . 45 . H8 parsed_2k96 1
12 . . . . . . . . . . . . . . . . 33.130 30.130 36.130 . . . 47 . C8 . 47 . H8 parsed_2k96 1
13 . . . . . . . . . . . . . . . . 36.704 33.704 39.704 . . . 19 . C2 . 19 . H2 parsed_2k96 1
14 . . . . . . . . . . . . . . . . 32.304 29.304 35.304 . . . 38 . C2 . 38 . H2 parsed_2k96 1
15 . . . . . . . . . . . . . . . . 32.623 29.623 35.623 . . . 39 . C2 . 39 . H2 parsed_2k96 1
16 . . . . . . . . . . . . . . . . 29.222 26.222 32.222 . . . 40 . C2 . 40 . H2 parsed_2k96 1
17 . . . . . . . . . . . . . . . . 45.363 42.363 48.363 . . . 44 . C2 . 44 . H2 parsed_2k96 1
18 . . . . . . . . . . . . . . . . 36.883 33.883 39.883 . . . 47 . C2 . 47 . H2 parsed_2k96 1
19 . . . . . . . . . . . . . . . . -17.236 -20.236 -14.236 . . . 8 . C1' . 8 . H1' parsed_2k96 1
20 . . . . . . . . . . . . . . . . -27.508 -30.508 -24.508 . . . 9 . C1' . 9 . H1' parsed_2k96 1
21 . . . . . . . . . . . . . . . . -39.457 -42.457 -36.457 . . . 10 . C1' . 10 . H1' parsed_2k96 1
22 . . . . . . . . . . . . . . . . -17.271 -20.271 -14.271 . . . 16 . C1' . 16 . H1' parsed_2k96 1
23 . . . . . . . . . . . . . . . . -45.832 -48.832 -42.832 . . . 39 . C1' . 39 . H1' parsed_2k96 1
24 . . . . . . . . . . . . . . . . -66.324 -69.324 -63.324 . . . 40 . C1' . 40 . H1' parsed_2k96 1
25 . . . . . . . . . . . . . . . . 48.852 45.852 51.852 . . . 11 . C5 . 11 . H5 parsed_2k96 1
26 . . . . . . . . . . . . . . . . 44.765 41.765 47.765 . . . 17 . C5 . 17 . H5 parsed_2k96 1
27 . . . . . . . . . . . . . . . . 41.660 38.660 44.660 . . . 21 . C5 . 21 . H5 parsed_2k96 1
28 . . . . . . . . . . . . . . . . 37.993 34.993 40.993 . . . 22 . C5 . 22 . H5 parsed_2k96 1
29 . . . . . . . . . . . . . . . . 37.652 34.652 40.652 . . . 43 . C5 . 43 . H5 parsed_2k96 1
30 . . . . . . . . . . . . . . . . 42.574 36.574 48.574 . . . 8 . N3 . 8 . H3 parsed_2k96 1
31 . . . . . . . . . . . . . . . . 31.151 25.151 37.151 . . . 17 . N3 . 17 . H3 parsed_2k96 1
32 . . . . . . . . . . . . . . . . 41.625 35.625 47.625 . . . 18 . N1 . 18 . H1 parsed_2k96 1
33 . . . . . . . . . . . . . . . . 33.708 27.708 39.708 . . . 21 . N3 . 21 . H3 parsed_2k96 1
34 . . . . . . . . . . . . . . . . 23.068 17.068 29.068 . . . 22 . N3 . 22 . H3 parsed_2k96 1
35 . . . . . . . . . . . . . . . . 24.852 18.852 30.852 . . . 23 . N3 . 23 . H3 parsed_2k96 1
36 . . . . . . . . . . . . . . . . 30.906 27.906 33.906 . . . 1 . C8 . 1 . H8 parsed_2k96 1
37 . . . . . . . . . . . . . . . . 25.187 22.187 28.187 . . . 2 . C8 . 2 . H8 parsed_2k96 1
38 . . . . . . . . . . . . . . . . 33.405 30.405 36.405 . . . 3 . C8 . 3 . H8 parsed_2k96 1
39 . . . . . . . . . . . . . . . . 40.032 37.032 43.032 . . . 4 . C6 . 4 . H6 parsed_2k96 1
40 . . . . . . . . . . . . . . . . 48.615 45.615 51.615 . . . 6 . C8 . 6 . H8 parsed_2k96 1
41 . . . . . . . . . . . . . . . . 45.730 42.730 48.730 . . . 24 . C6 . 24 . H6 parsed_2k96 1
42 . . . . . . . . . . . . . . . . 52.252 49.252 55.252 . . . 26 . C8 . 26 . H8 parsed_2k96 1
43 . . . . . . . . . . . . . . . . 36.881 33.881 39.881 . . . 27 . C6 . 27 . H6 parsed_2k96 1
44 . . . . . . . . . . . . . . . . 43.295 40.295 46.295 . . . 31 . C8 . 31 . H8 parsed_2k96 1
45 . . . . . . . . . . . . . . . . 36.354 33.354 39.354 . . . 32 . C8 . 32 . H8 parsed_2k96 1
46 . . . . . . . . . . . . . . . . 36.467 33.467 39.467 . . . 33 . C8 . 33 . H8 parsed_2k96 1
47 . . . . . . . . . . . . . . . . 34.618 31.618 37.618 . . . 35 . C8 . 35 . H8 parsed_2k96 1
48 . . . . . . . . . . . . . . . . 31.893 28.893 34.893 . . . 37 . C8 . 37 . H8 parsed_2k96 1
49 . . . . . . . . . . . . . . . . 44.401 41.401 47.401 . . . 25 . C2 . 25 . H2 parsed_2k96 1
50 . . . . . . . . . . . . . . . . 40.861 37.861 43.861 . . . 31 . C2 . 31 . H2 parsed_2k96 1
51 . . . . . . . . . . . . . . . . 40.181 37.181 43.181 . . . 32 . C2 . 32 . H2 parsed_2k96 1
52 . . . . . . . . . . . . . . . . 24.665 21.665 27.665 . . . 33 . C2 . 33 . H2 parsed_2k96 1
53 . . . . . . . . . . . . . . . . 48.912 45.912 51.912 . . . 35 . C2 . 35 . H2 parsed_2k96 1
54 . . . . . . . . . . . . . . . . 43.765 40.765 46.765 . . . 36 . C2 . 36 . H2 parsed_2k96 1
55 . . . . . . . . . . . . . . . . 39.546 36.546 42.546 . . . 37 . C2 . 37 . H2 parsed_2k96 1
56 . . . . . . . . . . . . . . . . -66.438 -69.438 -63.438 . . . 3 . C1' . 3 . H1' parsed_2k96 1
57 . . . . . . . . . . . . . . . . -43.280 -46.280 -40.280 . . . 24 . C1' . 24 . H1' parsed_2k96 1
58 . . . . . . . . . . . . . . . . 15.169 12.169 18.169 . . . 26 . C1' . 26 . H1' parsed_2k96 1
59 . . . . . . . . . . . . . . . . -10.698 -13.698 -7.698 . . . 27 . C1' . 27 . H1' parsed_2k96 1
60 . . . . . . . . . . . . . . . . -5.042 -8.042 -2.042 . . . 28 . C1' . 28 . H1' parsed_2k96 1
61 . . . . . . . . . . . . . . . . 30.287 27.287 33.287 . . . 29 . C1' . 29 . H1' parsed_2k96 1
62 . . . . . . . . . . . . . . . . 16.516 13.516 19.516 . . . 31 . C1' . 31 . H1' parsed_2k96 1
63 . . . . . . . . . . . . . . . . -50.827 -53.827 -47.827 . . . 33 . C1' . 33 . H1' parsed_2k96 1
64 . . . . . . . . . . . . . . . . -45.673 -48.673 -42.673 . . . 35 . C1' . 35 . H1' parsed_2k96 1
65 . . . . . . . . . . . . . . . . 26.361 23.361 29.361 . . . 24 . C5 . 24 . H5 parsed_2k96 1
66 . . . . . . . . . . . . . . . . 45.458 42.458 48.458 . . . 27 . C5 . 27 . H5 parsed_2k96 1
67 . . . . . . . . . . . . . . . . 40.932 37.932 43.932 . . . 28 . C5 . 28 . H5 parsed_2k96 1
68 . . . . . . . . . . . . . . . . 37.177 34.177 40.177 . . . 29 . C5 . 29 . H5 parsed_2k96 1
69 . . . . . . . . . . . . . . . . 27.114 24.114 30.114 . . . 30 . C5 . 30 . H5 parsed_2k96 1
70 . . . . . . . . . . . . . . . . 28.548 25.548 31.548 . . . 34 . C5 . 34 . H5 parsed_2k96 1
71 . . . . . . . . . . . . . . . . 33.327 27.327 39.327 . . . 2 . N1 . 2 . H1 parsed_2k96 1
72 . . . . . . . . . . . . . . . . 40.915 34.915 46.915 . . . 6 . N1 . 6 . H1 parsed_2k96 1
73 . . . . . . . . . . . . . . . . 45.982 39.982 51.982 . . . 7 . N3 . 7 . H3 parsed_2k96 1
74 . . . . . . . . . . . . . . . . 38.366 32.366 44.366 . . . 26 . N1 . 26 . H1 parsed_2k96 1
stop_
save_
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