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 |
|
|
639835 |
6qkp   |
34358 | cing | 2-parsed | STAR | dihedral angle | 38 |
data_6qkp_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6qkp
_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_6qkp 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6qkp
_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 6qkp "Master copy" parsed_6qkp
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6qkp
_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 6qkp.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6qkp 1
1 6qkp.mr . . XPLOR/CNS 2 distance NOE simple 658 parsed_6qkp 1
1 6qkp.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 38 parsed_6qkp 1
1 6qkp.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6qkp 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6qkp
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.8 -45.8 . . 82 . C . 83 . N . 83 . CA . 83 . C parsed_6qkp 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.8 -11.8 . . 83 . N . 83 . CA . 83 . C . 84 . N parsed_6qkp 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.8 -46.8 . . 83 . C . 84 . N . 84 . CA . 84 . C parsed_6qkp 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.9 -12.9 . . 84 . N . 84 . CA . 84 . C . 85 . N parsed_6qkp 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -106.4 -42.2 . . 84 . C . 85 . N . 85 . CA . 85 . C parsed_6qkp 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.6 29.0 . . 85 . N . 85 . CA . 85 . C . 86 . N parsed_6qkp 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.2 -45.2 . . 86 . C . 87 . N . 87 . CA . 87 . C parsed_6qkp 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.2 -16.2 . . 87 . N . 87 . CA . 87 . C . 88 . N parsed_6qkp 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -50.0 . . 87 . C . 88 . N . 88 . CA . 88 . C parsed_6qkp 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.1 -14.1 . . 88 . N . 88 . CA . 88 . C . 89 . N parsed_6qkp 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.1 -54.9 . . 88 . C . 89 . N . 89 . CA . 89 . C parsed_6qkp 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44.4 -4.4 . . 89 . N . 89 . CA . 89 . C . 90 . N parsed_6qkp 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -107.7 -67.7 . . 89 . C . 90 . N . 90 . CA . 90 . C parsed_6qkp 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -29.5 14.1 . . 90 . N . 90 . CA . 90 . C . 91 . N parsed_6qkp 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.1 -59.1 . . 91 . C . 92 . N . 92 . CA . 92 . C parsed_6qkp 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.0 163.8 . . 92 . N . 92 . CA . 92 . C . 93 . N parsed_6qkp 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -124.3 -31.1 . . 95 . C . 96 . N . 96 . CA . 96 . C parsed_6qkp 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.0 26.0 . . 96 . N . 96 . CA . 96 . C . 97 . N parsed_6qkp 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.4 -50.4 . . 99 . C . 100 . N . 100 . CA . 100 . C parsed_6qkp 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 160.0 . . 100 . N . 100 . CA . 100 . C . 101 . N parsed_6qkp 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.3 -39.3 . . 100 . C . 101 . N . 101 . CA . 101 . C parsed_6qkp 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.0 162.0 . . 101 . N . 101 . CA . 101 . C . 102 . N parsed_6qkp 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.5 -41.5 . . 101 . C . 102 . N . 102 . CA . 102 . C parsed_6qkp 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.2 -11.2 . . 102 . N . 102 . CA . 102 . C . 103 . N parsed_6qkp 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -113.5 -55.9 . . 102 . C . 103 . N . 103 . CA . 103 . C parsed_6qkp 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.4 48.6 . . 103 . N . 103 . CA . 103 . C . 104 . N parsed_6qkp 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.8 -38.8 . . 103 . C . 104 . N . 104 . CA . 104 . C parsed_6qkp 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.3 -8.3 . . 104 . N . 104 . CA . 104 . C . 105 . N parsed_6qkp 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.6 -47.6 . . 104 . C . 105 . N . 105 . CA . 105 . C parsed_6qkp 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.3 -12.3 . . 105 . N . 105 . CA . 105 . C . 106 . N parsed_6qkp 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.5 -49.5 . . 105 . C . 106 . N . 106 . CA . 106 . C parsed_6qkp 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.7 -8.3 . . 106 . N . 106 . CA . 106 . C . 107 . N parsed_6qkp 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.8 -42.8 . . 107 . C . 108 . N . 108 . CA . 108 . C parsed_6qkp 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.4 -24.4 . . 108 . N . 108 . CA . 108 . C . 109 . N parsed_6qkp 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.1 -47.1 . . 108 . C . 109 . N . 109 . CA . 109 . C parsed_6qkp 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.1 -9.1 . . 109 . N . 109 . CA . 109 . C . 110 . N parsed_6qkp 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -45.0 . . 109 . C . 110 . N . 110 . CA . 110 . C parsed_6qkp 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.2 12.4 . . 110 . N . 110 . CA . 110 . C . 111 . N parsed_6qkp 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 "83 I -65.847 -31.820 4.813 6.651 0.808 0.747 25 9 Strong" 3 1 3 73 parsed_6qkp 1
2 "84 R -66.816 -32.939 4.406 5.717 0.849 0.763 25 9 Strong" 9 1 9 73 parsed_6qkp 1
3 "85 E -74.313 -25.264 10.687 18.093 0.772 0.757 10 9 Generous" 15 1 15 75 parsed_6qkp 1
4 "87 A -65.240 -36.223 4.222 7.058 0.734 0.708 25 9 Strong" 21 1 21 73 parsed_6qkp 1
5 "88 R -70.028 -34.082 8.064 7.602 0.649 0.655 25 9 Strong" 27 1 27 73 parsed_6qkp 1
6 "89 R -74.973 -24.412 10.040 9.597 0.567 0.625 25 9 Strong" 33 1 33 73 parsed_6qkp 1
7 "90 N -87.701 -7.679 7.555 10.915 0.358 0.615 25 9 Strong" 39 1 39 73 parsed_6qkp 1
8 "92 H -79.108 134.944 9.588 14.454 0.297 0.605 25 9 Strong" 45 1 45 73 parsed_6qkp 1
9 "96 T -77.696 -12.982 15.542 12.994 0.603 0.623 10 9 Generous" 51 1 51 75 parsed_6qkp 1
10 "100 I -70.407 139.953 7.652 8.986 0.480 0.624 25 7 Strong" 57 1 57 73 parsed_6qkp 1
11 "101 P -59.268 142.043 6.154 9.494 0.412 0.681 25 7 Strong" 63 1 63 73 parsed_6qkp 1
12 "102 A -61.468 -31.215 4.246 6.535 0.496 0.737 25 7 Strong" 69 1 69 73 parsed_6qkp 1
13 "103 D -84.672 -1.420 14.417 24.976 0.571 0.789 25 9 Strong" 75 1 75 73 parsed_6qkp 1
14 "104 V -68.800 -38.256 8.802 5.512 0.704 0.829 10 9 Generous" 81 1 81 75 parsed_6qkp 1
15 "105 I -67.588 -32.322 5.283 6.087 0.933 0.828 25 9 Strong" 87 1 87 73 parsed_6qkp 1
16 "106 D -69.520 -30.494 6.859 11.087 1.065 0.817 25 9 Strong" 93 1 93 73 parsed_6qkp 1
17 "108 Y -62.780 -44.378 4.922 6.068 1.252 0.816 25 9 Strong" 99 1 99 73 parsed_6qkp 1
18 "109 H -67.101 -29.102 5.742 6.855 1.360 0.797 25 9 Strong" 105 1 105 73 parsed_6qkp 1
19 "110 A -75.037 -18.937 7.162 10.433 1.298 0.757 10 9 Generous" 111 1 111 75 parsed_6qkp 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 3: dihedrals.tbl" 1 1 1 34 parsed_6qkp 1
stop_
save_
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