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 |
|
|
614310 |
2jr7   |
15377 | cing | 2-parsed | STAR | dihedral angle | 60 |
data_2jr7_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2jr7
_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_2jr7 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2jr7
_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 2jr7 "Master copy" parsed_2jr7
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2jr7
_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 2jr7.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2jr7 1
1 2jr7.mr . . XPLOR/CNS 2 distance NOE simple 1537 parsed_2jr7 1
1 2jr7.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 20 parsed_2jr7 1
1 2jr7.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 60 parsed_2jr7 1
1 2jr7.mr . . XPLOR/CNS 5 distance "general distance" simple 0 parsed_2jr7 1
1 2jr7.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2jr7 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2jr7
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 4
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -171.890 -128.010 . . 5 . c . 6 . n . 6 . ca . 6 . c parsed_2jr7 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 131.670 163.230 . . 6 . n . 6 . ca . 6 . c . 7 . n parsed_2jr7 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.880 -80.820 . . 6 . c . 7 . n . 7 . ca . 7 . c parsed_2jr7 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.340 138.580 . . 7 . n . 7 . ca . 7 . c . 8 . n parsed_2jr7 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -142.360 -107.560 . . 7 . c . 8 . n . 8 . ca . 8 . c parsed_2jr7 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.050 141.250 . . 8 . n . 8 . ca . 8 . c . 9 . n parsed_2jr7 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.810 -66.250 . . 8 . c . 9 . n . 9 . ca . 9 . c parsed_2jr7 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123.280 139.440 . . 9 . n . 9 . ca . 9 . c . 10 . n parsed_2jr7 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.040 -51.560 . . 10 . c . 11 . n . 11 . ca . 11 . c parsed_2jr7 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.360 -3.720 . . 11 . n . 11 . ca . 11 . c . 12 . n parsed_2jr7 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.780 -63.040 . . 11 . c . 12 . n . 12 . ca . 12 . c parsed_2jr7 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.900 -14.620 . . 12 . n . 12 . ca . 12 . c . 13 . n parsed_2jr7 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -142.920 -72.060 . . 20 . c . 21 . n . 21 . ca . 21 . c parsed_2jr7 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.870 179.450 . . 21 . n . 21 . ca . 21 . c . 22 . n parsed_2jr7 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -121.820 -93.260 . . 21 . c . 22 . n . 22 . ca . 22 . c parsed_2jr7 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.850 140.870 . . 22 . n . 22 . ca . 22 . c . 23 . n parsed_2jr7 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.110 -110.230 . . 22 . c . 23 . n . 23 . ca . 23 . c parsed_2jr7 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 132.710 165.630 . . 23 . n . 23 . ca . 23 . c . 24 . n parsed_2jr7 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.300 -127.660 . . 23 . c . 24 . n . 24 . ca . 24 . c parsed_2jr7 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 131.480 153.000 . . 24 . n . 24 . ca . 24 . c . 25 . n parsed_2jr7 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.780 -58.180 . . 24 . c . 25 . n . 25 . ca . 25 . c parsed_2jr7 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 124.050 147.130 . . 25 . n . 25 . ca . 25 . c . 26 . n parsed_2jr7 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.290 -122.550 . . 32 . c . 33 . n . 33 . ca . 33 . c parsed_2jr7 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 139.200 169.200 . . 33 . n . 33 . ca . 33 . c . 34 . n parsed_2jr7 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151.710 -112.930 . . 33 . c . 34 . n . 34 . ca . 34 . c parsed_2jr7 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.080 140.260 . . 34 . n . 34 . ca . 34 . c . 35 . n parsed_2jr7 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.020 -72.140 . . 34 . c . 35 . n . 35 . ca . 35 . c parsed_2jr7 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 148.550 171.390 . . 35 . n . 35 . ca . 35 . c . 36 . n parsed_2jr7 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.720 -56.200 . . 35 . c . 36 . n . 36 . ca . 36 . c parsed_2jr7 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.960 -28.980 . . 36 . n . 36 . ca . 36 . c . 37 . n parsed_2jr7 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.200 -61.060 . . 36 . c . 37 . n . 37 . ca . 37 . c parsed_2jr7 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.050 -36.350 . . 37 . n . 37 . ca . 37 . c . 38 . n parsed_2jr7 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.870 -56.590 . . 37 . c . 38 . n . 38 . ca . 38 . c parsed_2jr7 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.520 -37.300 . . 38 . n . 38 . ca . 38 . c . 39 . n parsed_2jr7 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.040 -60.200 . . 38 . c . 39 . n . 39 . ca . 39 . c parsed_2jr7 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.990 -26.070 . . 39 . n . 39 . ca . 39 . c . 40 . n parsed_2jr7 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.850 -59.050 . . 39 . c . 40 . n . 40 . ca . 40 . c parsed_2jr7 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.890 -19.650 . . 40 . n . 40 . ca . 40 . c . 41 . n parsed_2jr7 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.600 -104.460 . . 44 . c . 45 . n . 45 . ca . 45 . c parsed_2jr7 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.000 151.360 . . 45 . n . 45 . ca . 45 . c . 46 . n parsed_2jr7 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -144.270 -112.890 . . 45 . c . 46 . n . 46 . ca . 46 . c parsed_2jr7 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 126.790 149.250 . . 46 . n . 46 . ca . 46 . c . 47 . n parsed_2jr7 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -127.060 -102.340 . . 46 . c . 47 . n . 47 . ca . 47 . c parsed_2jr7 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.080 132.700 . . 47 . n . 47 . ca . 47 . c . 48 . n parsed_2jr7 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.740 -112.220 . . 53 . c . 54 . n . 54 . ca . 54 . c parsed_2jr7 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 144.040 170.820 . . 54 . n . 54 . ca . 54 . c . 55 . n parsed_2jr7 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.290 -110.250 . . 54 . c . 55 . n . 55 . ca . 55 . c parsed_2jr7 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.130 159.430 . . 55 . n . 55 . ca . 55 . c . 56 . n parsed_2jr7 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.680 -91.440 . . 55 . c . 56 . n . 56 . ca . 56 . c parsed_2jr7 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.400 136.460 . . 56 . n . 56 . ca . 56 . c . 57 . n parsed_2jr7 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.270 -91.970 . . 56 . c . 57 . n . 57 . ca . 57 . c parsed_2jr7 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.570 129.130 . . 57 . n . 57 . ca . 57 . c . 58 . n parsed_2jr7 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -112.280 -87.000 . . 57 . c . 58 . n . 58 . ca . 58 . c parsed_2jr7 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.880 136.540 . . 58 . n . 58 . ca . 58 . c . 59 . n parsed_2jr7 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.670 -55.810 . . 60 . c . 61 . n . 61 . ca . 61 . c parsed_2jr7 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.890 -17.930 . . 61 . n . 61 . ca . 61 . c . 62 . n parsed_2jr7 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.160 -65.240 . . 61 . c . 62 . n . 62 . ca . 62 . c parsed_2jr7 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.840 -18.380 . . 62 . n . 62 . ca . 62 . c . 63 . n parsed_2jr7 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.190 -59.370 . . 62 . c . 63 . n . 63 . ca . 63 . c parsed_2jr7 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.110 -13.390 . . 63 . n . 63 . ca . 63 . c . 64 . n parsed_2jr7 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1 "dihedral restraints" 1 1 1 21 parsed_2jr7 1
stop_
save_
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