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 |
|
|
41313 |
1wxl   |
6469 | cing | 2-parsed | STAR | dihedral angle | 60 |
data_1wxl_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1wxl
_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_1wxl 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1wxl
_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 1wxl "Master copy" parsed_1wxl
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1wxl
_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 1wxl.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1wxl 1
1 1wxl.mr . . XPLOR/CNS 2 distance NOE simple 1511 parsed_1wxl 1
1 1wxl.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 34 parsed_1wxl 1
1 1wxl.mr . . XPLOR/CNS 4 distance NOE ambi 19 parsed_1wxl 1
1 1wxl.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 60 parsed_1wxl 1
1 1wxl.mr . . XPLOR/CNS 6 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_1wxl 1
1 1wxl.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1wxl 1
stop_
save_
save_CNS/XPLOR_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1wxl
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 5
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.440 -32.440 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_1wxl 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.840 -37.840 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_1wxl 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.610 -33.610 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_1wxl 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.280 -37.280 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_1wxl 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.640 -35.640 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_1wxl 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.630 -34.630 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_1wxl 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -30.000 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_1wxl 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.350 -40.350 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_1wxl 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.480 -37.480 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_1wxl 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.020 -34.020 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_1wxl 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.790 -33.790 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_1wxl 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.490 -33.490 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_1wxl 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.410 -34.410 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_1wxl 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -30.000 . . 31 . C . 32 . N . 32 . CA . 32 . C parsed_1wxl 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101.040 -41.040 . . 32 . C . 33 . N . 33 . CA . 33 . C parsed_1wxl 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.570 -33.570 . . 34 . C . 35 . N . 35 . CA . 35 . C parsed_1wxl 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.060 -33.060 . . 35 . C . 36 . N . 36 . CA . 36 . C parsed_1wxl 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.840 -32.840 . . 36 . C . 37 . N . 37 . CA . 37 . C parsed_1wxl 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -30.000 . . 37 . C . 38 . N . 38 . CA . 38 . C parsed_1wxl 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.030 -35.030 . . 41 . C . 42 . N . 42 . CA . 42 . C parsed_1wxl 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.880 -34.880 . . 42 . C . 43 . N . 43 . CA . 43 . C parsed_1wxl 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.170 -38.170 . . 43 . C . 44 . N . 44 . CA . 44 . C parsed_1wxl 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -30.000 . . 48 . C . 49 . N . 49 . CA . 49 . C parsed_1wxl 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.910 -34.910 . . 49 . C . 50 . N . 50 . CA . 50 . C parsed_1wxl 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.690 -37.690 . . 50 . C . 51 . N . 51 . CA . 51 . C parsed_1wxl 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.320 -36.320 . . 55 . C . 56 . N . 56 . CA . 56 . C parsed_1wxl 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.180 -31.180 . . 56 . C . 57 . N . 57 . CA . 57 . C parsed_1wxl 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.490 -38.490 . . 57 . C . 58 . N . 58 . CA . 58 . C parsed_1wxl 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.390 -38.390 . . 59 . C . 60 . N . 60 . CA . 60 . C parsed_1wxl 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.360 -37.360 . . 61 . C . 62 . N . 62 . CA . 62 . C parsed_1wxl 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.800 -33.800 . . 62 . C . 63 . N . 63 . CA . 63 . C parsed_1wxl 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.760 -32.760 . . 63 . C . 64 . N . 64 . CA . 64 . C parsed_1wxl 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.230 -34.230 . . 64 . C . 65 . N . 65 . CA . 65 . C parsed_1wxl 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.660 -8.660 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_1wxl 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.960 -7.960 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_1wxl 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.450 -13.450 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_1wxl 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.440 -8.440 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_1wxl 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.240 -5.240 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_1wxl 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.690 -8.690 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_1wxl 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.720 -7.720 . . 19 . N . 19 . CA . 19 . C . 20 . N parsed_1wxl 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.970 -11.970 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_1wxl 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.440 -9.440 . . 21 . N . 21 . CA . 21 . C . 22 . N parsed_1wxl 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.880 -12.880 . . 23 . N . 23 . CA . 23 . C . 24 . N parsed_1wxl 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.230 -7.230 . . 24 . N . 24 . CA . 24 . C . 25 . N parsed_1wxl 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.500 0.500 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_1wxl 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.600 -10.600 . . 35 . N . 35 . CA . 35 . C . 36 . N parsed_1wxl 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.010 -7.010 . . 36 . N . 36 . CA . 36 . C . 37 . N parsed_1wxl 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.160 -12.160 . . 37 . N . 37 . CA . 37 . C . 38 . N parsed_1wxl 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.030 -12.030 . . 42 . N . 42 . CA . 42 . C . 43 . N parsed_1wxl 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.080 -10.080 . . 43 . N . 43 . CA . 43 . C . 44 . N parsed_1wxl 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.790 -2.790 . . 44 . N . 44 . CA . 44 . C . 45 . N parsed_1wxl 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.380 -1.380 . . 50 . N . 50 . CA . 50 . C . 51 . N parsed_1wxl 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.040 -3.040 . . 51 . N . 51 . CA . 51 . C . 52 . N parsed_1wxl 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.410 -11.410 . . 56 . N . 56 . CA . 56 . C . 57 . N parsed_1wxl 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.740 -13.740 . . 57 . N . 57 . CA . 57 . C . 58 . N parsed_1wxl 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.980 -8.980 . . 58 . N . 58 . CA . 58 . C . 59 . N parsed_1wxl 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.930 -8.930 . . 60 . N . 60 . CA . 60 . C . 61 . N parsed_1wxl 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.220 -7.220 . . 62 . N . 62 . CA . 62 . C . 63 . N parsed_1wxl 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.500 -10.500 . . 63 . N . 63 . CA . 63 . C . 64 . N parsed_1wxl 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.270 -13.270 . . 64 . N . 64 . CA . 64 . C . 65 . N parsed_1wxl 1
stop_
save_
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