NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
559687 |
2m21   |
18891 | cing | 2-parsed | STAR | dipolar coupling | 53 |
data_2m21_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2m21
_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_2m21 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2m21
_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 2m21 "Master copy" parsed_2m21
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2m21
_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 2m21.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2m21 1
1 2m21.mr . . XPLOR/CNS 2 distance NOE simple 459 parsed_2m21 1
1 2m21.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 37 parsed_2m21 1
1 2m21.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 151 parsed_2m21 1
1 2m21.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 53 parsed_2m21 1
1 2m21.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2m21 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_5
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2m21
_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 . . . . . . . . . . . . . . . . 1.890 -0.629 4.409 . . . 2 . C8 . 2 . H8 parsed_2m21 1
2 . . . . . . . . . . . . . . . . 14.516 11.997 17.035 . . . 3 . C6 . 3 . H6 parsed_2m21 1
3 . . . . . . . . . . . . . . . . 24.823 22.304 27.342 . . . 4 . C8 . 4 . H8 parsed_2m21 1
4 . . . . . . . . . . . . . . . . 32.654 30.135 35.173 . . . 5 . C8 . 5 . H8 parsed_2m21 1
5 . . . . . . . . . . . . . . . . 19.612 17.093 22.131 . . . 6 . C6 . 6 . H6 parsed_2m21 1
6 . . . . . . . . . . . . . . . . 17.345 14.826 19.864 . . . 7 . C8 . 7 . H8 parsed_2m21 1
7 . . . . . . . . . . . . . . . . 7.529 5.010 10.048 . . . 8 . C6 . 8 . H6 parsed_2m21 1
8 . . . . . . . . . . . . . . . . 11.320 8.801 13.839 . . . 9 . C8 . 9 . H8 parsed_2m21 1
9 . . . . . . . . . . . . . . . . 8.740 6.221 11.259 . . . 10 . C6 . 10 . H6 parsed_2m21 1
10 . . . . . . . . . . . . . . . . 5.230 2.711 7.749 . . . 12 . C8 . 12 . H8 parsed_2m21 1
11 . . . . . . . . . . . . . . . . 8.145 5.626 10.664 . . . 14 . C6 . 14 . H6 parsed_2m21 1
12 . . . . . . . . . . . . . . . . 8.576 6.057 11.095 . . . 15 . C6 . 15 . H6 parsed_2m21 1
13 . . . . . . . . . . . . . . . . 16.783 14.264 19.302 . . . 16 . C8 . 16 . H8 parsed_2m21 1
14 . . . . . . . . . . . . . . . . 27.851 25.332 30.370 . . . 18 . C6 . 18 . H6 parsed_2m21 1
15 . . . . . . . . . . . . . . . . 25.490 22.971 28.009 . . . 19 . C8 . 19 . H8 parsed_2m21 1
16 . . . . . . . . . . . . . . . . 15.585 13.066 18.104 . . . 20 . C6 . 20 . H6 parsed_2m21 1
17 . . . . . . . . . . . . . . . . -1.959 -4.478 0.560 . . . 21 . C6 . 21 . H6 parsed_2m21 1
18 . . . . . . . . . . . . . . . . -1.959 -4.478 0.560 . . . 21 . C6 . 21 . H6 parsed_2m21 1
19 . . . . . . . . . . . . . . . . 9.346 6.827 11.865 . . . 3 . C5 . 3 . H5 parsed_2m21 1
20 . . . . . . . . . . . . . . . . -2.427 -4.946 0.092 . . . 8 . C5 . 8 . H5 parsed_2m21 1
21 . . . . . . . . . . . . . . . . 13.037 10.518 15.556 . . . 10 . C5 . 10 . H5 parsed_2m21 1
22 . . . . . . . . . . . . . . . . 8.540 6.021 11.059 . . . 14 . C5 . 14 . H5 parsed_2m21 1
23 . . . . . . . . . . . . . . . . 4.359 1.840 6.878 . . . 15 . C5 . 15 . H5 parsed_2m21 1
24 . . . . . . . . . . . . . . . . 18.113 15.594 20.632 . . . 18 . C5 . 18 . H5 parsed_2m21 1
25 . . . . . . . . . . . . . . . . 26.521 24.002 29.040 . . . 20 . C5 . 20 . H5 parsed_2m21 1
26 . . . . . . . . . . . . . . . . 6.533 4.014 9.052 . . . 21 . C5 . 21 . H5 parsed_2m21 1
27 . . . . . . . . . . . . . . . . 6.533 4.014 9.052 . . . 21 . C5 . 21 . H5 parsed_2m21 1
28 . . . . . . . . . . . . . . . . 6.533 4.014 9.052 . . . 21 . C5 . 21 . H5 parsed_2m21 1
29 . . . . . . . . . . . . . . . . 9.648 4.535 14.761 . . . 1 . N1 . 1 . H1 parsed_2m21 1
30 . . . . . . . . . . . . . . . . 9.183 4.070 14.296 . . . 2 . N1 . 2 . H1 parsed_2m21 1
31 . . . . . . . . . . . . . . . . 27.966 22.853 33.079 . . . 4 . N1 . 4 . H1 parsed_2m21 1
32 . . . . . . . . . . . . . . . . 22.564 17.451 27.677 . . . 6 . N3 . 6 . H3 parsed_2m21 1
33 . . . . . . . . . . . . . . . . 27.089 21.976 32.202 . . . 17 . N3 . 17 . H3 parsed_2m21 1
34 . . . . . . . . . . . . . . . . 14.524 9.411 19.637 . . . 19 . N1 . 19 . H1 parsed_2m21 1
35 . . . . . . . . . . . . . . . . 14.524 9.411 19.637 . . . 19 . N1 . 19 . H1 parsed_2m21 1
36 . . . . . . . . . . . . . . . . -15.070 -17.660 -12.480 . . . 1 . C1' . 1 . H1' parsed_2m21 1
37 . . . . . . . . . . . . . . . . -2.396 -4.986 0.194 . . . 2 . C1' . 2 . H1' parsed_2m21 1
38 . . . . . . . . . . . . . . . . -13.259 -15.849 -10.669 . . . 4 . C1' . 4 . H1' parsed_2m21 1
39 . . . . . . . . . . . . . . . . -11.119 -13.709 -8.529 . . . 5 . C1' . 5 . H1' parsed_2m21 1
40 . . . . . . . . . . . . . . . . 1.861 -0.729 4.451 . . . 6 . C1' . 6 . H1' parsed_2m21 1
41 . . . . . . . . . . . . . . . . 9.537 6.947 12.127 . . . 7 . C1' . 7 . H1' parsed_2m21 1
42 . . . . . . . . . . . . . . . . 5.040 2.450 7.630 . . . 8 . C1' . 8 . H1' parsed_2m21 1
43 . . . . . . . . . . . . . . . . -34.370 -36.960 -31.780 . . . 9 . C1' . 9 . H1' parsed_2m21 1
44 . . . . . . . . . . . . . . . . 0.470 -2.120 3.060 . . . 10 . C1' . 10 . H1' parsed_2m21 1
45 . . . . . . . . . . . . . . . . 6.585 3.995 9.175 . . . 12 . C1' . 12 . H1' parsed_2m21 1
46 . . . . . . . . . . . . . . . . -18.906 -21.496 -16.316 . . . 14 . C1' . 14 . H1' parsed_2m21 1
47 . . . . . . . . . . . . . . . . -26.974 -29.564 -24.384 . . . 15 . C1' . 15 . H1' parsed_2m21 1
48 . . . . . . . . . . . . . . . . -17.716 -20.306 -15.126 . . . 16 . C1' . 16 . H1' parsed_2m21 1
49 . . . . . . . . . . . . . . . . -7.430 -10.020 -4.840 . . . 17 . C1' . 17 . H1' parsed_2m21 1
50 . . . . . . . . . . . . . . . . 2.274 -0.316 4.864 . . . 19 . C1' . 19 . H1' parsed_2m21 1
51 . . . . . . . . . . . . . . . . 4.507 1.917 7.097 . . . 20 . C1' . 20 . H1' parsed_2m21 1
52 . . . . . . . . . . . . . . . . 4.562 1.972 7.152 . . . 21 . C1' . 21 . H1' parsed_2m21 1
53 . . . . . . . . . . . . . . . . 4.562 1.972 7.152 . . . 21 . C1' . 21 . H1' parsed_2m21 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 RDCs 1 1 1 6 parsed_2m21 1
stop_
save_
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