NMR Restraints Grid
| |
NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
51665 |
2k95   |
cing | 2-parsed | STAR | dipolar coupling | 63 |
data_2k95_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2k95
_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_2k95 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2k95
_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 2k95 "Master copy" parsed_2k95
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2k95
_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 2k95.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2k95 1
1 2k95.mr . . XPLOR/CNS 2 distance NOE simple 756 parsed_2k95 1
1 2k95.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 90 parsed_2k95 1
1 2k95.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 63 parsed_2k95 1
1 2k95.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2k95 1
1 2k95.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2k95 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_4
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2k95
_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 . . . . . . . . . . . . . . . . 26.470 23.970 28.970 . . . 1 . C8 . 1 . H8 parsed_2k95 1
2 . . . . . . . . . . . . . . . . 19.965 17.465 22.465 . . . 2 . C8 . 2 . H8 parsed_2k95 1
3 . . . . . . . . . . . . . . . . 27.920 25.420 30.420 . . . 3 . C8 . 3 . H8 parsed_2k95 1
4 . . . . . . . . . . . . . . . . 36.168 33.668 38.668 . . . 4 . C6 . 4 . H6 parsed_2k95 1
5 . . . . . . . . . . . . . . . . 42.717 40.217 45.217 . . . 6 . C8 . 6 . H8 parsed_2k95 1
6 . . . . . . . . . . . . . . . . 23.641 21.141 26.141 . . . 9 . C6 . 9 . H6 parsed_2k95 1
7 . . . . . . . . . . . . . . . . 38.467 35.967 40.967 . . . 15 . C8 . 15 . H8 parsed_2k95 1
8 . . . . . . . . . . . . . . . . 28.871 26.371 31.371 . . . 20 . C6 . 20 . H6 parsed_2k95 1
9 . . . . . . . . . . . . . . . . 42.679 40.179 45.179 . . . 24 . C6 . 24 . H6 parsed_2k95 1
10 . . . . . . . . . . . . . . . . 39.991 37.491 42.491 . . . 26 . C8 . 26 . H8 parsed_2k95 1
11 . . . . . . . . . . . . . . . . 29.681 27.181 32.181 . . . 27 . C6 . 27 . H6 parsed_2k95 1
12 . . . . . . . . . . . . . . . . 16.899 14.399 19.399 . . . 28 . C6 . 28 . H6 parsed_2k95 1
13 . . . . . . . . . . . . . . . . 38.055 35.555 40.555 . . . 31 . C8 . 31 . H8 parsed_2k95 1
14 . . . . . . . . . . . . . . . . 31.922 29.422 34.422 . . . 32 . C8 . 32 . H8 parsed_2k95 1
15 . . . . . . . . . . . . . . . . 29.348 26.848 31.848 . . . 33 . C8 . 33 . H8 parsed_2k95 1
16 . . . . . . . . . . . . . . . . 33.641 31.141 36.141 . . . 34 . C6 . 34 . H6 parsed_2k95 1
17 . . . . . . . . . . . . . . . . 30.092 27.592 32.592 . . . 37 . C8 . 37 . H8 parsed_2k95 1
18 . . . . . . . . . . . . . . . . 33.084 29.584 36.584 . . . 39 . C8 . 39 . H8 parsed_2k95 1
19 . . . . . . . . . . . . . . . . 34.845 32.345 37.345 . . . 43 . C6 . 43 . H6 parsed_2k95 1
20 . . . . . . . . . . . . . . . . 38.810 36.310 41.310 . . . 47 . C6 . 47 . H6 parsed_2k95 1
21 . . . . . . . . . . . . . . . . 30.999 28.499 33.499 . . . 48 . C8 . 48 . H8 parsed_2k95 1
22 . . . . . . . . . . . . . . . . 30.865 28.365 33.365 . . . 19 . C2 . 19 . H2 parsed_2k95 1
23 . . . . . . . . . . . . . . . . 36.830 34.330 39.330 . . . 25 . C2 . 25 . H2 parsed_2k95 1
24 . . . . . . . . . . . . . . . . 37.634 35.134 40.134 . . . 31 . C2 . 31 . H2 parsed_2k95 1
25 . . . . . . . . . . . . . . . . 35.976 33.476 38.476 . . . 32 . C2 . 32 . H2 parsed_2k95 1
26 . . . . . . . . . . . . . . . . 17.998 15.498 20.498 . . . 33 . C2 . 33 . H2 parsed_2k95 1
27 . . . . . . . . . . . . . . . . 43.133 40.633 45.633 . . . 35 . C2 . 35 . H2 parsed_2k95 1
28 . . . . . . . . . . . . . . . . 38.331 35.831 40.831 . . . 36 . C2 . 36 . H2 parsed_2k95 1
29 . . . . . . . . . . . . . . . . 36.757 34.257 39.257 . . . 37 . C2 . 37 . H2 parsed_2k95 1
30 . . . . . . . . . . . . . . . . 30.375 27.875 32.875 . . . 40 . C2 . 40 . H2 parsed_2k95 1
31 . . . . . . . . . . . . . . . . 32.463 29.963 34.963 . . . 48 . C2 . 48 . H2 parsed_2k95 1
32 . . . . . . . . . . . . . . . . -16.279 -18.779 -13.779 . . . 7 . C1' . 7 . H1' parsed_2k95 1
33 . . . . . . . . . . . . . . . . -18.199 -20.699 -15.699 . . . 9 . C1' . 9 . H1' parsed_2k95 1
34 . . . . . . . . . . . . . . . . -13.951 -16.451 -11.451 . . . 20 . C1' . 20 . H1' parsed_2k95 1
35 . . . . . . . . . . . . . . . . -57.152 -59.652 -54.652 . . . 23 . C1' . 23 . H1' parsed_2k95 1
36 . . . . . . . . . . . . . . . . -39.267 -41.767 -36.767 . . . 24 . C1' . 24 . H1' parsed_2k95 1
37 . . . . . . . . . . . . . . . . 14.287 11.787 16.787 . . . 26 . C1' . 26 . H1' parsed_2k95 1
38 . . . . . . . . . . . . . . . . -7.742 -10.242 -5.242 . . . 27 . C1' . 27 . H1' parsed_2k95 1
39 . . . . . . . . . . . . . . . . -5.289 -7.789 -2.789 . . . 28 . C1' . 28 . H1' parsed_2k95 1
40 . . . . . . . . . . . . . . . . 24.989 22.489 27.489 . . . 29 . C1' . 29 . H1' parsed_2k95 1
41 . . . . . . . . . . . . . . . . 15.669 13.169 18.169 . . . 31 . C1' . 31 . H1' parsed_2k95 1
42 . . . . . . . . . . . . . . . . -47.006 -49.506 -44.506 . . . 33 . C1' . 33 . H1' parsed_2k95 1
43 . . . . . . . . . . . . . . . . -16.209 -18.709 -13.709 . . . 34 . C1' . 34 . H1' parsed_2k95 1
44 . . . . . . . . . . . . . . . . -42.902 -45.402 -40.402 . . . 35 . C1' . 35 . H1' parsed_2k95 1
45 . . . . . . . . . . . . . . . . 13.139 10.639 15.639 . . . 4 . C5 . 4 . H5 parsed_2k95 1
46 . . . . . . . . . . . . . . . . 32.343 29.843 34.843 . . . 8 . C5 . 8 . H5 parsed_2k95 1
47 . . . . . . . . . . . . . . . . 24.286 21.786 26.786 . . . 24 . C5 . 24 . H5 parsed_2k95 1
48 . . . . . . . . . . . . . . . . 38.068 35.568 40.568 . . . 27 . C5 . 27 . H5 parsed_2k95 1
49 . . . . . . . . . . . . . . . . 33.424 30.924 35.924 . . . 28 . C5 . 28 . H5 parsed_2k95 1
50 . . . . . . . . . . . . . . . . 32.473 29.973 34.973 . . . 29 . C5 . 29 . H5 parsed_2k95 1
51 . . . . . . . . . . . . . . . . 25.258 22.758 27.758 . . . 34 . C5 . 34 . H5 parsed_2k95 1
52 . . . . . . . . . . . . . . . . 16.985 14.485 19.485 . . . 43 . C5 . 43 . H5 parsed_2k95 1
53 . . . . . . . . . . . . . . . . 31.824 26.824 36.824 . . . 3 . N1 . 3 . H1 parsed_2k95 1
54 . . . . . . . . . . . . . . . . 34.822 29.822 39.822 . . . 5 . N3 . 5 . H3 parsed_2k95 1
55 . . . . . . . . . . . . . . . . 35.257 30.257 40.257 . . . 6 . N1 . 6 . H1 parsed_2k95 1
56 . . . . . . . . . . . . . . . . 41.311 36.311 46.311 . . . 7 . N3 . 7 . H3 parsed_2k95 1
57 . . . . . . . . . . . . . . . . 38.136 33.136 43.136 . . . 8 . N3 . 8 . H3 parsed_2k95 1
58 . . . . . . . . . . . . . . . . 30.451 25.451 35.451 . . . 15 . N1 . 15 . H1 parsed_2k95 1
59 . . . . . . . . . . . . . . . . 28.178 23.178 33.178 . . . 17 . N3 . 17 . H3 parsed_2k95 1
60 . . . . . . . . . . . . . . . . 38.233 33.233 43.233 . . . 18 . N1 . 18 . H1 parsed_2k95 1
61 . . . . . . . . . . . . . . . . 32.501 27.501 37.501 . . . 26 . N1 . 26 . H1 parsed_2k95 1
62 . . . . . . . . . . . . . . . . 36.799 31.799 41.799 . . . 43 . N3 . 43 . H3 parsed_2k95 1
63 . . . . . . . . . . . . . . . . 30.857 25.857 35.857 . . . 46 . N1 . 46 . H1 parsed_2k95 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 "Residual dipolar coupling restraints" 1 1 1 39 parsed_2k95 1
stop_
save_
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