NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
611841 |
2nas   |
18471 | cing | 2-parsed | STAR | dihedral angle | 81 |
data_2nas_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2nas
_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_2nas 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2nas
_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 2nas "Master copy" parsed_2nas
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2nas
_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 2nas.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2nas 1
1 2nas.mr . . XPLOR/CNS 2 distance NOE simple 1235 parsed_2nas 1
1 2nas.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 81 parsed_2nas 1
1 2nas.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2nas 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2nas
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 3
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.630 -57.690 . . 1 . c . 2 . n . 2 . ca . 2 . c parsed_2nas 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99.120 149.200 . . 2 . n . 2 . ca . 2 . c . 3 . n parsed_2nas 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 137.290 159.370 . . 3 . n . 3 . ca . 3 . c . 4 . n parsed_2nas 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 84.380 135.320 . . 7 . n . 7 . ca . 7 . c . 8 . n parsed_2nas 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.800 -78.680 . . 8 . c . 9 . n . 9 . ca . 9 . c parsed_2nas 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.770 131.430 . . 9 . n . 9 . ca . 9 . c . 10 . n parsed_2nas 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -123.310 -85.910 . . 9 . c . 10 . n . 10 . ca . 10 . c parsed_2nas 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96.870 162.350 . . 10 . n . 10 . ca . 10 . c . 11 . n parsed_2nas 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -157.260 -117.980 . . 11 . c . 12 . n . 12 . ca . 12 . c parsed_2nas 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 133.670 163.410 . . 12 . n . 12 . ca . 12 . c . 13 . n parsed_2nas 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -127.400 -99.100 . . 12 . c . 13 . n . 13 . ca . 13 . c parsed_2nas 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.750 131.370 . . 13 . n . 13 . ca . 13 . c . 14 . n parsed_2nas 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.910 -82.070 . . 13 . c . 14 . n . 14 . ca . 14 . c parsed_2nas 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 85.200 122.560 . . 14 . n . 14 . ca . 14 . c . 15 . n parsed_2nas 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.570 -78.530 . . 17 . c . 18 . n . 18 . ca . 18 . c parsed_2nas 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104.350 156.110 . . 18 . n . 18 . ca . 18 . c . 19 . n parsed_2nas 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -122.520 -78.160 . . 20 . c . 21 . n . 21 . ca . 21 . c parsed_2nas 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96.940 153.660 . . 21 . n . 21 . ca . 21 . c . 22 . n parsed_2nas 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 132.820 155.280 . . 22 . n . 22 . ca . 22 . c . 23 . n parsed_2nas 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.290 -71.970 . . 24 . c . 25 . n . 25 . ca . 25 . c parsed_2nas 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 119.750 131.310 . . 25 . n . 25 . ca . 25 . c . 26 . n parsed_2nas 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.630 -90.990 . . 25 . c . 26 . n . 26 . ca . 26 . c parsed_2nas 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 92.300 141.020 . . 26 . n . 26 . ca . 26 . c . 27 . n parsed_2nas 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -114.890 -54.350 . . 26 . c . 27 . n . 27 . ca . 27 . c parsed_2nas 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.040 149.500 . . 27 . n . 27 . ca . 27 . c . 28 . n parsed_2nas 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 38.770 72.750 . . 28 . c . 29 . n . 29 . ca . 29 . c parsed_2nas 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19.800 60.560 . . 29 . n . 29 . ca . 29 . c . 30 . n parsed_2nas 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.020 -87.000 . . 34 . c . 35 . n . 35 . ca . 35 . c parsed_2nas 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.100 139.880 . . 35 . n . 35 . ca . 35 . c . 36 . n parsed_2nas 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.860 -77.440 . . 35 . c . 36 . n . 36 . ca . 36 . c parsed_2nas 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 98.160 152.080 . . 36 . n . 36 . ca . 36 . c . 37 . n parsed_2nas 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 131.690 160.490 . . 37 . n . 37 . ca . 37 . c . 38 . n parsed_2nas 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -137.740 -97.100 . . 41 . c . 42 . n . 42 . ca . 42 . c parsed_2nas 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 138.680 167.800 . . 42 . n . 42 . ca . 42 . c . 43 . n parsed_2nas 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -129.850 -85.010 . . 43 . c . 44 . n . 44 . ca . 44 . c parsed_2nas 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.770 133.730 . . 44 . n . 44 . ca . 44 . c . 45 . n parsed_2nas 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109.490 -78.890 . . 44 . c . 45 . n . 45 . ca . 45 . c parsed_2nas 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 83.440 123.600 . . 45 . n . 45 . ca . 45 . c . 46 . n parsed_2nas 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.090 176.670 . . 48 . n . 48 . ca . 48 . c . 49 . n parsed_2nas 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.240 -97.140 . . 54 . c . 55 . n . 55 . ca . 55 . c parsed_2nas 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.660 140.820 . . 55 . n . 55 . ca . 55 . c . 56 . n parsed_2nas 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -114.490 -81.950 . . 55 . c . 56 . n . 56 . ca . 56 . c parsed_2nas 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.400 147.160 . . 56 . n . 56 . ca . 56 . c . 57 . n parsed_2nas 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.200 -114.000 . . 56 . c . 57 . n . 57 . ca . 57 . c parsed_2nas 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 132.400 166.060 . . 57 . n . 57 . ca . 57 . c . 58 . n parsed_2nas 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -107.780 -67.960 . . 57 . c . 58 . n . 58 . ca . 58 . c parsed_2nas 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 81.410 141.190 . . 58 . n . 58 . ca . 58 . c . 59 . n parsed_2nas 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -117.700 -76.880 . . 60 . c . 61 . n . 61 . ca . 61 . c parsed_2nas 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 88.300 148.500 . . 61 . n . 61 . ca . 61 . c . 62 . n parsed_2nas 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -144.650 -88.350 . . 63 . c . 64 . n . 64 . ca . 64 . c parsed_2nas 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.730 163.710 . . 64 . n . 64 . ca . 64 . c . 65 . n parsed_2nas 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.860 -94.080 . . 64 . c . 65 . n . 65 . ca . 65 . c parsed_2nas 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 143.340 158.300 . . 65 . n . 65 . ca . 65 . c . 66 . n parsed_2nas 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -147.840 -102.260 . . 65 . c . 66 . n . 66 . ca . 66 . c parsed_2nas 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135.130 176.090 . . 66 . n . 66 . ca . 66 . c . 67 . n parsed_2nas 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -113.680 -76.060 . . 67 . c . 68 . n . 68 . ca . 68 . c parsed_2nas 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 85.980 142.680 . . 68 . n . 68 . ca . 68 . c . 69 . n parsed_2nas 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.710 -60.590 . . 76 . c . 77 . n . 77 . ca . 77 . c parsed_2nas 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -41.620 -15.480 . . 77 . n . 77 . ca . 77 . c . 78 . n parsed_2nas 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.200 -57.400 . . 77 . c . 78 . n . 78 . ca . 78 . c parsed_2nas 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.870 -0.770 . . 78 . n . 78 . ca . 78 . c . 79 . n parsed_2nas 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -116.990 -70.950 . . 82 . c . 83 . n . 83 . ca . 83 . c parsed_2nas 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99.360 156.060 . . 83 . n . 83 . ca . 83 . c . 84 . n parsed_2nas 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.140 -49.900 . . 85 . c . 86 . n . 86 . ca . 86 . c parsed_2nas 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.070 1.150 . . 86 . n . 86 . ca . 86 . c . 87 . n parsed_2nas 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.230 -56.650 . . 87 . c . 88 . n . 88 . ca . 88 . c parsed_2nas 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.620 -20.440 . . 88 . n . 88 . ca . 88 . c . 89 . n parsed_2nas 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.230 -57.370 . . 88 . c . 89 . n . 89 . ca . 89 . c parsed_2nas 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44.850 -21.430 . . 89 . n . 89 . ca . 89 . c . 90 . n parsed_2nas 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.940 -59.320 . . 89 . c . 90 . n . 90 . ca . 90 . c parsed_2nas 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.710 -24.370 . . 90 . n . 90 . ca . 90 . c . 91 . n parsed_2nas 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.220 -57.200 . . 90 . c . 91 . n . 91 . ca . 91 . c parsed_2nas 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -36.290 1.590 . . 91 . n . 91 . ca . 91 . c . 92 . n parsed_2nas 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.340 -53.220 . . 93 . c . 94 . n . 94 . ca . 94 . c parsed_2nas 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44.400 -18.700 . . 94 . n . 94 . ca . 94 . c . 95 . n parsed_2nas 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.790 -60.150 . . 94 . c . 95 . n . 95 . ca . 95 . c parsed_2nas 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.250 -4.950 . . 95 . n . 95 . ca . 95 . c . 96 . n parsed_2nas 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.760 -59.640 . . 96 . c . 97 . n . 97 . ca . 97 . c parsed_2nas 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -43.290 -15.390 . . 97 . n . 97 . ca . 97 . c . 98 . n parsed_2nas 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101.380 -63.200 . . 97 . c . 98 . n . 98 . ca . 98 . c parsed_2nas 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -22.030 16.870 . . 98 . n . 98 . ca . 98 . c . 99 . n parsed_2nas 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 "assign (resid 2 and name c ) (resid 3 and name n )" 5 1 5 52 parsed_2nas 1
2 "assign (resid 6 and name c ) (resid 7 and name n )" 9 1 9 52 parsed_2nas 1
3 "assign (resid 21 and name c ) (resid 22 and name n )" 41 1 41 54 parsed_2nas 1
4 "assign (resid 36 and name c ) (resid 37 and name n )" 69 1 69 54 parsed_2nas 1
5 "assign (resid 47 and name c ) (resid 48 and name n )" 85 1 85 54 parsed_2nas 1
stop_
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1 "(resid 3 and name ca) (resid 3 and name c ) 1.0 -66.040 11.180 2" 6 8 6 72 parsed_2nas 1
2 "(resid 7 and name ca) (resid 7 and name c ) 1.0 -72.910 12.490 2" 10 8 10 72 parsed_2nas 1
3 "(resid 22 and name ca) (resid 22 and name c ) 1.0 -71.990 10.360 2" 42 8 42 74 parsed_2nas 1
4 "(resid 37 and name ca) (resid 37 and name c ) 1.0 -68.760 8.270 2" 70 8 70 73 parsed_2nas 1
5 "(resid 48 and name ca) (resid 48 and name c ) 1.0 -101.500 31.070 2" 86 8 86 75 parsed_2nas 1
stop_
save_
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