NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
559699 |
2m22   |
18892 | cing | 2-parsed | STAR | dipolar coupling | 63 |
data_2m22_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2m22
_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_2m22 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2m22
_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 2m22 "Master copy" parsed_2m22
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2m22
_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 2m22.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2m22 1
1 2m22.mr . . XPLOR/CNS 2 distance NOE simple 518 parsed_2m22 1
1 2m22.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 42 parsed_2m22 1
1 2m22.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 164 parsed_2m22 1
1 2m22.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 63 parsed_2m22 1
1 2m22.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2m22 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_5
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2m22
_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 . . . . . . . . . . . . . . . . 4.386 1.867 6.905 . . . 1 . C8 . 1 . H8 parsed_2m22 1
2 . . . . . . . . . . . . . . . . 0.864 -1.655 3.383 . . . 2 . C8 . 2 . H8 parsed_2m22 1
3 . . . . . . . . . . . . . . . . 10.807 8.288 13.326 . . . 3 . C6 . 3 . H6 parsed_2m22 1
4 . . . . . . . . . . . . . . . . 19.697 17.178 22.216 . . . 4 . C8 . 4 . H8 parsed_2m22 1
5 . . . . . . . . . . . . . . . . 23.757 21.238 26.276 . . . 6 . C8 . 6 . H8 parsed_2m22 1
6 . . . . . . . . . . . . . . . . 16.532 14.013 19.051 . . . 7 . C6 . 7 . H6 parsed_2m22 1
7 . . . . . . . . . . . . . . . . 11.603 9.084 14.122 . . . 8 . C6 . 8 . H6 parsed_2m22 1
8 . . . . . . . . . . . . . . . . 10.699 8.180 13.218 . . . 9 . C6 . 9 . H6 parsed_2m22 1
9 . . . . . . . . . . . . . . . . 13.563 11.044 16.082 . . . 10 . C8 . 10 . H8 parsed_2m22 1
10 . . . . . . . . . . . . . . . . 4.197 1.678 6.716 . . . 11 . C6 . 11 . H6 parsed_2m22 1
11 . . . . . . . . . . . . . . . . 7.233 4.714 9.752 . . . 12 . C8 . 12 . H8 parsed_2m22 1
12 . . . . . . . . . . . . . . . . 11.732 9.213 14.251 . . . 13 . C8 . 13 . H8 parsed_2m22 1
13 . . . . . . . . . . . . . . . . 7.571 5.052 10.090 . . . 14 . C6 . 14 . H6 parsed_2m22 1
14 . . . . . . . . . . . . . . . . 17.817 15.298 20.336 . . . 15 . C8 . 15 . H8 parsed_2m22 1
15 . . . . . . . . . . . . . . . . 12.743 10.224 15.262 . . . 17 . C8 . 17 . H8 parsed_2m22 1
16 . . . . . . . . . . . . . . . . 21.819 19.300 24.338 . . . 18 . C8 . 18 . H8 parsed_2m22 1
17 . . . . . . . . . . . . . . . . 28.255 25.736 30.774 . . . 19 . C6 . 19 . H6 parsed_2m22 1
18 . . . . . . . . . . . . . . . . 22.658 20.139 25.177 . . . 20 . C6 . 20 . H6 parsed_2m22 1
19 . . . . . . . . . . . . . . . . 19.743 17.224 22.262 . . . 21 . C8 . 21 . H8 parsed_2m22 1
20 . . . . . . . . . . . . . . . . -0.117 -2.636 2.402 . . . 22 . C6 . 22 . H6 parsed_2m22 1
21 . . . . . . . . . . . . . . . . -3.111 -5.630 -0.592 . . . 23 . C6 . 23 . H6 parsed_2m22 1
22 . . . . . . . . . . . . . . . . 9.380 6.861 11.899 . . . 4 . C2 . 4 . H2 parsed_2m22 1
23 . . . . . . . . . . . . . . . . 25.643 23.124 28.162 . . . 6 . C2 . 6 . H2 parsed_2m22 1
24 . . . . . . . . . . . . . . . . 19.946 17.427 22.465 . . . 15 . C2 . 15 . H2 parsed_2m22 1
25 . . . . . . . . . . . . . . . . 11.334 8.815 13.853 . . . 17 . C2 . 17 . H2 parsed_2m22 1
26 . . . . . . . . . . . . . . . . 13.830 11.311 16.349 . . . 18 . C2 . 18 . H2 parsed_2m22 1
27 . . . . . . . . . . . . . . . . -4.527 -7.046 -2.008 . . . 3 . C5 . 3 . H5 parsed_2m22 1
28 . . . . . . . . . . . . . . . . 23.384 20.865 25.903 . . . 7 . C5 . 7 . H5 parsed_2m22 1
29 . . . . . . . . . . . . . . . . 19.888 17.369 22.407 . . . 8 . C5 . 8 . H5 parsed_2m22 1
30 . . . . . . . . . . . . . . . . 7.736 5.217 10.255 . . . 9 . C5 . 9 . H5 parsed_2m22 1
31 . . . . . . . . . . . . . . . . 7.008 4.489 9.527 . . . 11 . C5 . 11 . H5 parsed_2m22 1
32 . . . . . . . . . . . . . . . . -4.527 -7.046 -2.008 . . . 14 . C5 . 14 . H5 parsed_2m22 1
33 . . . . . . . . . . . . . . . . 10.486 7.967 13.005 . . . 19 . C5 . 19 . H5 parsed_2m22 1
34 . . . . . . . . . . . . . . . . 18.088 15.569 20.607 . . . 20 . C5 . 20 . H5 parsed_2m22 1
35 . . . . . . . . . . . . . . . . 22.026 19.507 24.545 . . . 22 . C5 . 22 . H5 parsed_2m22 1
36 . . . . . . . . . . . . . . . . 12.359 9.840 14.878 . . . 23 . C5 . 23 . H5 parsed_2m22 1
37 . . . . . . . . . . . . . . . . 6.166 1.053 11.279 . . . 2 . N1 . 2 . H1 parsed_2m22 1
38 . . . . . . . . . . . . . . . . 25.542 20.429 30.655 . . . 5 . N1 . 5 . H1 parsed_2m22 1
39 . . . . . . . . . . . . . . . . 12.374 7.261 17.487 . . . 7 . N3 . 7 . H3 parsed_2m22 1
40 . . . . . . . . . . . . . . . . 0.964 -4.149 6.077 . . . 9 . N3 . 9 . H3 parsed_2m22 1
41 . . . . . . . . . . . . . . . . 10.397 5.284 15.510 . . . 16 . N1 . 16 . H1 parsed_2m22 1
42 . . . . . . . . . . . . . . . . 24.655 19.542 29.768 . . . 20 . N3 . 20 . H3 parsed_2m22 1
43 . . . . . . . . . . . . . . . . 10.308 5.195 15.421 . . . 21 . N1 . 21 . H1 parsed_2m22 1
44 . . . . . . . . . . . . . . . . -35.450 -38.040 -32.860 . . . 2 . C1' . 2 . H1' parsed_2m22 1
45 . . . . . . . . . . . . . . . . -29.209 -31.799 -26.619 . . . 4 . C1' . 4 . H1' parsed_2m22 1
46 . . . . . . . . . . . . . . . . -18.775 -21.365 -16.185 . . . 5 . C1' . 5 . H1' parsed_2m22 1
47 . . . . . . . . . . . . . . . . -3.086 -5.676 -0.496 . . . 6 . C1' . 6 . H1' parsed_2m22 1
48 . . . . . . . . . . . . . . . . -0.543 -3.133 2.047 . . . 8 . C1' . 8 . H1' parsed_2m22 1
49 . . . . . . . . . . . . . . . . 1.529 -1.061 4.119 . . . 9 . C1' . 9 . H1' parsed_2m22 1
50 . . . . . . . . . . . . . . . . -3.222 -5.812 -0.632 . . . 10 . C1' . 10 . H1' parsed_2m22 1
51 . . . . . . . . . . . . . . . . -4.055 -6.645 -1.465 . . . 11 . C1' . 11 . H1' parsed_2m22 1
52 . . . . . . . . . . . . . . . . -4.496 -7.086 -1.906 . . . 12 . C1' . 12 . H1' parsed_2m22 1
53 . . . . . . . . . . . . . . . . 4.334 1.744 6.924 . . . 13 . C1' . 13 . H1' parsed_2m22 1
54 . . . . . . . . . . . . . . . . -6.065 -8.655 -3.475 . . . 14 . C1' . 14 . H1' parsed_2m22 1
55 . . . . . . . . . . . . . . . . -27.721 -30.311 -25.131 . . . 15 . C1' . 15 . H1' parsed_2m22 1
56 . . . . . . . . . . . . . . . . -25.765 -28.355 -23.175 . . . 16 . C1' . 16 . H1' parsed_2m22 1
57 . . . . . . . . . . . . . . . . -14.535 -17.125 -11.945 . . . 17 . C1' . 17 . H1' parsed_2m22 1
58 . . . . . . . . . . . . . . . . -6.800 -9.390 -4.210 . . . 18 . C1' . 18 . H1' parsed_2m22 1
59 . . . . . . . . . . . . . . . . -12.906 -15.496 -10.316 . . . 19 . C1' . 19 . H1' parsed_2m22 1
60 . . . . . . . . . . . . . . . . 2.686 0.096 5.276 . . . 20 . C1' . 20 . H1' parsed_2m22 1
61 . . . . . . . . . . . . . . . . 2.387 -0.203 4.977 . . . 21 . C1' . 21 . H1' parsed_2m22 1
62 . . . . . . . . . . . . . . . . -1.225 -3.815 1.365 . . . 22 . C1' . 22 . H1' parsed_2m22 1
63 . . . . . . . . . . . . . . . . -4.307 -6.897 -1.717 . . . 23 . C1' . 23 . H1' parsed_2m22 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 RDC 1 1 1 5 parsed_2m22 1
stop_
save_
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