NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
36279 |
1naj   |
5671 | cing | 2-parsed | STAR | dipolar coupling | 64 |
data_1naj_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1naj
_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_1naj 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1naj
_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 1naj "Master copy" parsed_1naj
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1naj
_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 1naj.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1naj 1
1 1naj.mr . . XPLOR/CNS 2 distance NOE ambi 162 parsed_1naj 1
1 1naj.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 56 parsed_1naj 1
1 1naj.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 22 parsed_1naj 1
1 1naj.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 132 parsed_1naj 1
1 1naj.mr . . XPLOR/CNS 6 "dipolar coupling" "Not applicable" "Not applicable" 76 parsed_1naj 1
1 1naj.mr . . XPLOR/CNS 7 "dipolar coupling" "Not applicable" "Not applicable" 200 parsed_1naj 1
1 1naj.mr . . XPLOR/CNS 8 "dipolar coupling" "Not applicable" "Not applicable" 64 parsed_1naj 1
1 1naj.mr . . XPLOR/CNS 9 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_1naj 1
1 1naj.mr . . XPLOR/CNS 10 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_1naj 1
1 1naj.mr . . XPLOR/CNS 11 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_1naj 1
1 1naj.mr . . XPLOR/CNS 12 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_1naj 1
1 1naj.mr . . XPLOR/CNS 13 "chemical shift anisotropy" "Not applicable" "Not applicable" 0 parsed_1naj 1
1 1naj.mr . . XPLOR/CNS 14 "chemical shift anisotropy" "Not applicable" "Not applicable" 0 parsed_1naj 1
1 1naj.mr . . "MR format" 15 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1naj 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_8
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_1naj
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 8
_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 . . . . . . . . . . . . . . . . 9.990 9.790 10.190 . . . 1 . H6 . 1 . C6 parsed_1naj 1
2 . . . . . . . . . . . . . . . . 18.000 17.800 18.200 . . . 1 . H5 . 1 . C5 parsed_1naj 1
3 . . . . . . . . . . . . . . . . 18.130 17.930 18.330 . . . 2 . H8 . 2 . C8 parsed_1naj 1
4 . . . . . . . . . . . . . . . . 27.060 26.860 27.260 . . . 5 . H2 . 5 . C2 parsed_1naj 1
5 . . . . . . . . . . . . . . . . 27.070 26.870 27.270 . . . 5 . H8 . 5 . C8 parsed_1naj 1
6 . . . . . . . . . . . . . . . . 22.530 22.330 22.730 . . . 7 . H6 . 7 . C6 parsed_1naj 1
7 . . . . . . . . . . . . . . . . 26.830 26.630 27.030 . . . 9 . H6 . 9 . C6 parsed_1naj 1
8 . . . . . . . . . . . . . . . . 19.030 18.830 19.230 . . . 9 . H5 . 9 . C5 parsed_1naj 1
9 . . . . . . . . . . . . . . . . 24.060 23.860 24.260 . . . 10 . H8 . 10 . C8 parsed_1naj 1
10 . . . . . . . . . . . . . . . . 0.560 0.360 0.760 . . . 1 . H1' . 1 . C1' parsed_1naj 1
11 . . . . . . . . . . . . . . . . 20.250 20.050 20.450 . . . 2 . H1' . 2 . C1' parsed_1naj 1
12 . . . . . . . . . . . . . . . . 21.900 21.700 22.100 . . . 5 . H1' . 5 . C1' parsed_1naj 1
13 . . . . . . . . . . . . . . . . 19.170 18.970 19.370 . . . 7 . H1' . 7 . C1' parsed_1naj 1
14 . . . . . . . . . . . . . . . . 13.740 13.540 13.940 . . . 9 . H1' . 9 . C1' parsed_1naj 1
15 . . . . . . . . . . . . . . . . 16.160 15.960 16.360 . . . 10 . H1' . 10 . C1' parsed_1naj 1
16 . . . . . . . . . . . . . . . . -7.650 -7.850 -7.450 . . . 1 . H3' . 1 . C3' parsed_1naj 1
17 . . . . . . . . . . . . . . . . 4.130 3.930 4.330 . . . 2 . H3' . 2 . C3' parsed_1naj 1
18 . . . . . . . . . . . . . . . . 19.570 19.370 19.770 . . . 5 . H3' . 5 . C3' parsed_1naj 1
19 . . . . . . . . . . . . . . . . 17.650 17.450 17.850 . . . 7 . H3' . 7 . C3' parsed_1naj 1
20 . . . . . . . . . . . . . . . . 22.200 22.000 22.400 . . . 9 . H3' . 9 . C3' parsed_1naj 1
21 . . . . . . . . . . . . . . . . 23.650 23.450 23.850 . . . 10 . H3' . 10 . C3' parsed_1naj 1
22 . . . . . . . . . . . . . . . . 3.620 3.420 3.820 . . . 1 . H4' . 1 . C4' parsed_1naj 1
23 . . . . . . . . . . . . . . . . 2.340 2.140 2.540 . . . 2 . H4' . 2 . C4' parsed_1naj 1
24 . . . . . . . . . . . . . . . . -7.620 -7.820 -7.420 . . . 5 . H4' . 5 . C4' parsed_1naj 1
25 . . . . . . . . . . . . . . . . 11.460 11.260 11.660 . . . 7 . H4' . 7 . C4' parsed_1naj 1
26 . . . . . . . . . . . . . . . . 19.260 19.060 19.460 . . . 9 . H4' . 9 . C4' parsed_1naj 1
27 . . . . . . . . . . . . . . . . 22.830 22.630 23.030 . . . 10 . H4' . 10 . C4' parsed_1naj 1
28 . . . . . . . . . . . . . . . . 9.990 9.790 10.190 . . . 13 . H6 . 13 . C6 parsed_1naj 1
29 . . . . . . . . . . . . . . . . 18.000 17.800 18.200 . . . 13 . H5 . 13 . C5 parsed_1naj 1
30 . . . . . . . . . . . . . . . . 18.130 17.930 18.330 . . . 14 . H8 . 14 . C8 parsed_1naj 1
31 . . . . . . . . . . . . . . . . 27.060 26.860 27.260 . . . 17 . H2 . 17 . C2 parsed_1naj 1
32 . . . . . . . . . . . . . . . . 27.070 26.870 27.270 . . . 17 . H8 . 17 . C8 parsed_1naj 1
33 . . . . . . . . . . . . . . . . 22.530 22.330 22.730 . . . 19 . H6 . 19 . C6 parsed_1naj 1
34 . . . . . . . . . . . . . . . . 26.830 26.630 27.030 . . . 21 . H6 . 21 . C6 parsed_1naj 1
35 . . . . . . . . . . . . . . . . 19.030 18.830 19.230 . . . 21 . H5 . 21 . C5 parsed_1naj 1
36 . . . . . . . . . . . . . . . . 24.060 23.860 24.260 . . . 22 . H8 . 22 . C8 parsed_1naj 1
37 . . . . . . . . . . . . . . . . 0.560 0.360 0.760 . . . 13 . H1' . 13 . C1' parsed_1naj 1
38 . . . . . . . . . . . . . . . . 20.250 20.050 20.450 . . . 14 . H1' . 14 . C1' parsed_1naj 1
39 . . . . . . . . . . . . . . . . 21.900 21.700 22.100 . . . 17 . H1' . 17 . C1' parsed_1naj 1
40 . . . . . . . . . . . . . . . . 19.170 18.970 19.370 . . . 19 . H1' . 19 . C1' parsed_1naj 1
41 . . . . . . . . . . . . . . . . 13.740 13.540 13.940 . . . 21 . H1' . 21 . C1' parsed_1naj 1
42 . . . . . . . . . . . . . . . . 16.160 15.960 16.360 . . . 22 . H1' . 22 . C1' parsed_1naj 1
43 . . . . . . . . . . . . . . . . -7.650 -7.850 -7.450 . . . 13 . H3' . 13 . C3' parsed_1naj 1
44 . . . . . . . . . . . . . . . . 4.130 3.930 4.330 . . . 14 . H3' . 14 . C3' parsed_1naj 1
45 . . . . . . . . . . . . . . . . 19.570 19.370 19.770 . . . 17 . H3' . 17 . C3' parsed_1naj 1
46 . . . . . . . . . . . . . . . . 17.650 17.450 17.850 . . . 19 . H3' . 19 . C3' parsed_1naj 1
47 . . . . . . . . . . . . . . . . 22.200 22.000 22.400 . . . 21 . H3' . 21 . C3' parsed_1naj 1
48 . . . . . . . . . . . . . . . . 23.650 23.450 23.850 . . . 22 . H3' . 22 . C3' parsed_1naj 1
49 . . . . . . . . . . . . . . . . 3.620 3.420 3.820 . . . 13 . H4' . 13 . C4' parsed_1naj 1
50 . . . . . . . . . . . . . . . . 2.340 2.140 2.540 . . . 14 . H4' . 14 . C4' parsed_1naj 1
51 . . . . . . . . . . . . . . . . -7.620 -7.820 -7.420 . . . 17 . H4' . 17 . C4' parsed_1naj 1
52 . . . . . . . . . . . . . . . . 11.460 11.260 11.660 . . . 19 . H4' . 19 . C4' parsed_1naj 1
53 . . . . . . . . . . . . . . . . 19.260 19.060 19.460 . . . 21 . H4' . 21 . C4' parsed_1naj 1
54 . . . . . . . . . . . . . . . . 22.830 22.630 23.030 . . . 22 . H4' . 22 . C4' parsed_1naj 1
55 . . . . . . . . . . . . . . . . 4.90 4.7000 5.1000 . . . 1 . C2' . 1 . H2':H2'' parsed_1naj 1
56 . . . . . . . . . . . . . . . . -5.51 -5.7100 -5.3100 . . . 2 . C2' . 2 . H2':H2'' parsed_1naj 1
57 . . . . . . . . . . . . . . . . -7.10 -7.3000 -6.9000 . . . 5 . C2' . 5 . H2':H2'' parsed_1naj 1
58 . . . . . . . . . . . . . . . . -16.48 -16.6800 -16.2800 . . . 9 . C2' . 9 . H2':H2'' parsed_1naj 1
59 . . . . . . . . . . . . . . . . -15.21 -15.4100 -15.0100 . . . 10 . C2' . 10 . H2':H2'' parsed_1naj 1
60 . . . . . . . . . . . . . . . . 4.90 4.7000 5.1000 . . . 13 . C2' . 13 . H2':H2'' parsed_1naj 1
61 . . . . . . . . . . . . . . . . -5.51 -5.7100 -5.3100 . . . 14 . C2' . 14 . H2':H2'' parsed_1naj 1
62 . . . . . . . . . . . . . . . . -7.10 -7.3000 -6.9000 . . . 17 . C2' . 17 . H2':H2'' parsed_1naj 1
63 . . . . . . . . . . . . . . . . -16.48 -16.6800 -16.2800 . . . 21 . C2' . 21 . H2':H2'' parsed_1naj 1
64 . . . . . . . . . . . . . . . . -15.21 -15.4100 -15.0100 . . . 22 . C2' . 22 . H2':H2'' parsed_1naj 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
;
***********************************************************************
C-H Residual dipolar restraints
from phg sample of DNA198
Dsplitting = 26.6Hz
;
2 1 7 2 parsed_1naj 1
2 'C2'-H2" residual dipolar restraints' 387 1 389 2 parsed_1naj 1
3 'C2'-H2" residual dipolar restraints 2nd Strand' 426 1 428 2 parsed_1naj 1
stop_
save_
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