NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
616839 |
5x35   |
36051 | cing | 2-parsed | STAR | dihedral angle | 63 |
data_5x35_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5x35
_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_5x35 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5x35
_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 5x35 "Master copy" parsed_5x35
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5x35
_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 5x35.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5x35 1
1 5x35.mr . . XPLOR/CNS 2 distance NOE ambi 1649 parsed_5x35 1
1 5x35.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 63 parsed_5x35 1
1 5x35.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5x35 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_5x35
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -147.8 -81.6 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_5x35 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.2 174.0 . . 2 . N . 2 . CA . 2 . C . 3 . N parsed_5x35 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.7 -50.7 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_5x35 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.5 172.9 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_5x35 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 39.2 79.2 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_5x35 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 12.2 52.2 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_5x35 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.7 -51.7 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_5x35 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.0 198.4 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_5x35 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.0 -38.0 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_5x35 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.9 149.9 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_5x35 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.9 113.9 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_5x35 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.4 30.4 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_5x35 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109.1 -29.3 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_5x35 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.4 151.4 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_5x35 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.8 -85.2 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_5x35 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.5 46.3 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_5x35 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -111.5 -49.1 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_5x35 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.7 156.7 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_5x35 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101.2 -41.2 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_5x35 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 93.9 190.5 . . 19 . N . 19 . CA . 19 . C . 20 . N parsed_5x35 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.4 -37.4 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_5x35 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.7 152.7 . . 21 . N . 21 . CA . 21 . C . 22 . N parsed_5x35 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.8 110.8 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_5x35 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -20.2 19.8 . . 22 . N . 22 . CA . 22 . C . 23 . N parsed_5x35 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.0 -104.6 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_5x35 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 136.5 176.5 . . 23 . N . 23 . CA . 23 . C . 24 . N parsed_5x35 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.9 -101.1 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_5x35 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.5 168.3 . . 24 . N . 24 . CA . 24 . C . 25 . N parsed_5x35 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.2 -54.2 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_5x35 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.9 161.7 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_5x35 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.3 -55.1 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_5x35 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.9 164.1 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_5x35 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -49.2 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_5x35 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 94.3 167.1 . . 27 . N . 27 . CA . 27 . C . 28 . N parsed_5x35 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.1 -41.1 . . 29 . C . 30 . N . 30 . CA . 30 . C parsed_5x35 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -43.2 -3.2 . . 30 . N . 30 . CA . 30 . C . 31 . N parsed_5x35 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -116.1 -76.1 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_5x35 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -23.6 16.4 . . 31 . N . 31 . CA . 31 . C . 32 . N parsed_5x35 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101.4 -40.4 . . 31 . C . 32 . N . 32 . CA . 32 . C parsed_5x35 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.7 155.7 . . 32 . N . 32 . CA . 32 . C . 33 . N parsed_5x35 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.2 -88.0 . . 32 . C . 33 . N . 33 . CA . 33 . C parsed_5x35 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.2 155.8 . . 33 . N . 33 . CA . 33 . C . 34 . N parsed_5x35 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.2 -112.4 . . 33 . C . 34 . N . 34 . CA . 34 . C parsed_5x35 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.2 168.2 . . 34 . N . 34 . CA . 34 . C . 35 . N parsed_5x35 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.5 -59.5 . . 34 . C . 35 . N . 35 . CA . 35 . C parsed_5x35 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.7 155.7 . . 35 . N . 35 . CA . 35 . C . 36 . N parsed_5x35 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 3 . N . 3 . CA . 3 . CB . 3 . OG parsed_5x35 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 8 . N . 8 . CA . 8 . CB . 8 . SG parsed_5x35 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 11 . N . 11 . CA . 11 . CB . 11 . CG1 parsed_5x35 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 11 . CA . 11 . CB . 11 . CG1 . 11 . CD1 parsed_5x35 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 14 . N . 14 . CA . 14 . CB . 14 . OG parsed_5x35 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 17 . N . 17 . CA . 17 . CB . 17 . OG1 parsed_5x35 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 18 . N . 18 . CA . 18 . CB . 18 . CG1 parsed_5x35 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 19 . N . 19 . CA . 19 . CB . 19 . SG parsed_5x35 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 23 . N . 23 . CA . 23 . CB . 23 . OG1 parsed_5x35 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 24 . N . 24 . CA . 24 . CB . 24 . OG1 parsed_5x35 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 25 . N . 25 . CA . 25 . CB . 25 . SG parsed_5x35 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 26 . N . 26 . CA . 26 . CB . 26 . CG parsed_5x35 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 27 . N . 27 . CA . 27 . CB . 27 . CG1 parsed_5x35 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 31 . N . 31 . CA . 31 . CB . 31 . CG parsed_5x35 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 32 . N . 32 . CA . 32 . CB . 32 . CG parsed_5x35 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 33 . N . 33 . CA . 33 . CB . 33 . OG parsed_5x35 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 35 . N . 35 . CA . 35 . CB . 35 . SG parsed_5x35 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 "2 Q -114.728 143.558 16.570 15.220 3.908 0.774 25 13 Strong" 3 1 3 73 parsed_5x35 1
2 "3 S -70.672 141.660 9.400 15.621 2.506 0.801 25 15 Strong" 9 1 9 73 parsed_5x35 1
3 "5 Y 59.177 32.189 5.434 9.768 1.375 0.794 25 14 Strong" 15 1 15 73 parsed_5x35 1
4 "10 G -75.169 161.688 11.748 18.332 1.275 0.802 25 13 Strong" 21 1 21 73 parsed_5x35 1
5 "11 I -57.972 129.928 6.606 5.238 0.827 0.765 25 13 Strong" 27 1 27 73 parsed_5x35 1
6 "12 G 87.447 0.029 13.272 15.212 0.592 0.729 25 14 Strong" 33 1 33 73 parsed_5x35 1
7 "13 Y -69.231 131.382 19.964 8.959 -0.846 0.703 25 14 Strong" 39 1 39 73 parsed_5x35 1
8 "14 S -113.482 -0.145 14.165 23.195 1.160 0.701 25 14 Strong" 45 1 45 73 parsed_5x35 1
9 "18 V -80.274 131.733 15.579 12.501 1.102 0.682 25 15 Strong" 51 1 51 73 parsed_5x35 1
10 "19 c -71.232 142.159 7.946 16.096 0.729 0.779 10 15 Generous" 57 1 57 75 parsed_5x35 1
11 "21 S -57.397 132.686 4.739 5.134 0.228 0.761 25 14 Strong" 63 1 63 73 parsed_5x35 1
12 "22 G 90.752 -0.202 6.668 7.831 0.187 0.754 25 14 Strong" 69 1 69 73 parsed_5x35 1
13 "23 T -126.848 156.464 11.098 9.943 0.315 0.786 25 14 Strong" 75 1 75 73 parsed_5x35 1
14 "24 T -128.512 146.937 13.679 10.698 0.378 0.800 25 15 Strong" 81 1 81 73 parsed_5x35 1
15 "25 c -74.238 128.761 9.170 16.453 0.628 0.807 25 15 Strong" 87 1 87 73 parsed_5x35 1
16 "26 Q -90.193 134.980 17.532 14.545 0.544 0.800 25 15 Strong" 93 1 93 73 parsed_5x35 1
17 "27 V -77.077 130.696 13.968 18.216 0.523 0.797 25 15 Strong" 99 1 99 73 parsed_5x35 1
18 "30 P -61.069 -23.187 5.316 8.679 0.742 0.802 25 13 Strong" 105 1 105 73 parsed_5x35 1
19 "31 Y -96.127 -3.638 9.655 9.630 0.675 0.817 25 13 Strong" 111 1 111 73 parsed_5x35 1
20 "32 Y -70.891 135.712 15.262 6.758 0.871 0.847 25 15 Strong" 117 1 117 73 parsed_5x35 1
21 "33 S -116.581 133.495 14.275 11.154 0.923 0.878 25 15 Strong" 123 1 123 73 parsed_5x35 1
22 "34 Q -132.773 142.731 10.201 12.773 1.062 0.887 25 15 Strong" 129 1 129 73 parsed_5x35 1
23 "35 c -84.979 129.727 12.766 13.021 1.483 0.885 25 15 Strong" 135 1 135 73 parsed_5x35 1
24 "3 S Chi1 g- -60+-30deg" 141 1 141 28 parsed_5x35 1
25 "8 c Chi1 g+ 60+-30deg" 144 1 144 29 parsed_5x35 1
26 "11 I Chi1 g- -60+-30deg" 147 1 147 28 parsed_5x35 1
27 "11 I Chi2 t 180+-30deg" 150 1 150 28 parsed_5x35 1
28 "14 S Chi1 g+ 60+-30deg" 153 1 153 28 parsed_5x35 1
29 "17 T Chi1 g+ 60+-30deg" 156 1 156 28 parsed_5x35 1
30 "18 V Chi1 t 180+-30deg" 159 1 159 28 parsed_5x35 1
31 "19 c Chi1 g- -60+-30deg" 162 1 162 28 parsed_5x35 1
32 "23 T Chi1 g+ 60+-30deg" 165 1 165 28 parsed_5x35 1
33 "24 T Chi1 g+ 60+-30deg" 168 1 168 28 parsed_5x35 1
34 "25 c Chi1 t 180+-30deg" 171 1 171 28 parsed_5x35 1
35 "26 Q Chi1 g- -60+-30deg" 174 1 174 28 parsed_5x35 1
36 "27 V Chi1 t 180+-30deg" 177 1 177 28 parsed_5x35 1
37 "31 Y Chi1 g- -60+-30deg" 180 1 180 28 parsed_5x35 1
38 "32 Y Chi1 t 180+-30deg" 183 1 183 28 parsed_5x35 1
39 "33 S Chi1 g- -60+-30deg" 186 1 186 28 parsed_5x35 1
40 "35 c Chi1 g- -60+-30deg" 189 1 189 28 parsed_5x35 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 "# Restraints file 2: talos.tbl" 1 1 1 30 parsed_5x35 1
stop_
save_
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