NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
538138 |
2lj9   |
17926 | cing | 2-parsed | STAR | dihedral angle | 34 |
data_2lj9_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2lj9
_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_2lj9 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2lj9
_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 2lj9 "Master copy" parsed_2lj9
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2lj9
_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 2lj9.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2lj9 1
1 2lj9.mr . . XPLOR/CNS 2 unknown "Not applicable" "Not applicable" 0 parsed_2lj9 1
1 2lj9.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 34 parsed_2lj9 1
1 2lj9.mr . . XPLOR/CNS 4 distance NOE simple 0 parsed_2lj9 1
1 2lj9.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 0 parsed_2lj9 1
1 2lj9.mr . . XPLOR/CNS 6 unknown "Not applicable" "Not applicable" 0 parsed_2lj9 1
1 2lj9.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2lj9 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2lj9
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110 -50 . . 57 . C . 58 . N . 58 . CA . 58 . C parsed_2lj9 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99 159 . . 58 . N . 58 . CA . 58 . C . 59 . N parsed_2lj9 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89 -29 . . 58 . C . 59 . N . 59 . CA . 59 . C parsed_2lj9 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58 2 . . 59 . N . 59 . CA . 59 . C . 60 . N parsed_2lj9 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79 -49 . . 59 . C . 60 . N . 60 . CA . 60 . C parsed_2lj9 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54 -18 . . 60 . N . 60 . CA . 60 . C . 61 . N parsed_2lj9 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77 -47 . . 60 . C . 61 . N . 61 . CA . 61 . C parsed_2lj9 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54 -24 . . 61 . N . 61 . CA . 61 . C . 62 . N parsed_2lj9 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79 -49 . . 61 . C . 62 . N . 62 . CA . 62 . C parsed_2lj9 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58 -28 . . 62 . N . 62 . CA . 62 . C . 63 . N parsed_2lj9 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78 -48 . . 62 . C . 63 . N . 63 . CA . 63 . C parsed_2lj9 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61 -31 . . 63 . N . 63 . CA . 63 . C . 64 . N parsed_2lj9 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82 -52 . . 63 . C . 64 . N . 64 . CA . 64 . C parsed_2lj9 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50 -20 . . 64 . N . 64 . CA . 64 . C . 65 . N parsed_2lj9 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84 -54 . . 64 . C . 65 . N . 65 . CA . 65 . C parsed_2lj9 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40 -10 . . 65 . N . 65 . CA . 65 . C . 66 . N parsed_2lj9 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99 -69 . . 65 . C . 66 . N . 66 . CA . 66 . C parsed_2lj9 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -34 8 . . 66 . N . 66 . CA . 66 . C . 67 . N parsed_2lj9 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -144 -80 . . 66 . C . 67 . N . 67 . CA . 67 . C parsed_2lj9 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 74 154 . . 67 . N . 67 . CA . 67 . C . 68 . N parsed_2lj9 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 67 . C . 68 . N . 68 . CA . 68 . C parsed_2lj9 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53 7 . . 68 . N . 68 . CA . 68 . C . 69 . N parsed_2lj9 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -107 -47 . . 68 . C . 69 . N . 69 . CA . 69 . C parsed_2lj9 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50 10 . . 69 . N . 69 . CA . 69 . C . 70 . N parsed_2lj9 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141 -81 . . 69 . C . 70 . N . 70 . CA . 70 . C parsed_2lj9 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28 32 . . 70 . N . 70 . CA . 70 . C . 71 . N parsed_2lj9 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87 -27 . . 70 . C . 71 . N . 71 . CA . 71 . C parsed_2lj9 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68 -8 . . 71 . N . 71 . CA . 71 . C . 72 . N parsed_2lj9 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93 -33 . . 71 . C . 72 . N . 72 . CA . 72 . C parsed_2lj9 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -5 . . 72 . N . 72 . CA . 72 . C . 73 . N parsed_2lj9 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -113 -53 . . 72 . C . 73 . N . 73 . CA . 73 . C parsed_2lj9 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -31 29 . . 73 . N . 73 . CA . 73 . C . 74 . N parsed_2lj9 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -112 -52 . . 73 . C . 74 . N . 74 . CA . 74 . C parsed_2lj9 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42 18 . . 74 . N . 74 . CA . 74 . C . 75 . N parsed_2lj9 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 "talos OK -80 17" 2 81 2 97 parsed_2lj9 1
2 Asp58: 1 1 1 9 parsed_2lj9 1
3 "talos OK 129 15" 4 81 4 97 parsed_2lj9 1
4 "talos not OK -59 5" 7 81 7 100 parsed_2lj9 1
5 Pro59: 6 1 6 9 parsed_2lj9 1
6 "talos not OK -28 7" 9 81 9 100 parsed_2lj9 1
7 "talos OK -64 10" 12 81 12 97 parsed_2lj9 1
8 Leu60: 11 1 11 9 parsed_2lj9 1
9 "talos OK -36 18" 14 81 14 97 parsed_2lj9 1
10 "talos OK -62 9" 17 81 17 96 parsed_2lj9 1
11 Glu61: 16 1 16 9 parsed_2lj9 1
12 "talos OK -39 12" 19 81 19 97 parsed_2lj9 1
13 "talos OK -64 5" 22 81 22 96 parsed_2lj9 1
14 Glu62: 21 1 21 9 parsed_2lj9 1
15 "talos OK -43 4" 24 81 24 96 parsed_2lj9 1
16 "talos OK -63 4" 27 81 27 96 parsed_2lj9 1
17 Tyr63: 26 1 26 9 parsed_2lj9 1
18 "talos OK -46 2" 29 81 29 96 parsed_2lj9 1
19 "talos OK -67 4" 32 81 32 96 parsed_2lj9 1
20 Cys64: 31 1 31 9 parsed_2lj9 1
21 "talos OK -35 5" 34 81 34 96 parsed_2lj9 1
22 "talos OK -69 12" 37 81 37 97 parsed_2lj9 1
23 Lys65: 36 1 36 9 parsed_2lj9 1
24 "talos OK -25 12" 39 81 39 97 parsed_2lj9 1
25 "talos OK -84 14" 42 81 42 97 parsed_2lj9 1
26 Asp66: 41 1 41 9 parsed_2lj9 1
27 "talos OK -13 21" 44 81 44 97 parsed_2lj9 1
28 "talos OK -112 32" 47 81 47 98 parsed_2lj9 1
29 Asn67: 46 1 46 9 parsed_2lj9 1
30 "talos OK 114 40" 49 81 49 97 parsed_2lj9 1
31 "talos OK -60 6" 52 81 52 96 parsed_2lj9 1
32 Pro68: 51 1 51 9 parsed_2lj9 1
33 "talos OK -23 9" 54 81 54 96 parsed_2lj9 1
34 "talos OK -77 20" 57 81 57 97 parsed_2lj9 1
35 Glu69: 56 1 56 9 parsed_2lj9 1
36 "talos OK -20 19" 59 81 59 97 parsed_2lj9 1
37 "talos not OK -111 17" 62 81 62 102 parsed_2lj9 1
38 Thr70: 61 1 61 9 parsed_2lj9 1
39 "talos not OK 2 25" 64 81 64 99 parsed_2lj9 1
40 "talos OK -57 6" 67 81 67 96 parsed_2lj9 1
41 Asn71: 66 1 66 9 parsed_2lj9 1
42 "talos OK -38 8" 69 81 69 96 parsed_2lj9 1
43 "talos OK -63 5" 72 81 72 96 parsed_2lj9 1
44 Glu72: 71 1 71 9 parsed_2lj9 1
45 "talos OK -35 16" 74 81 74 97 parsed_2lj9 1
46 "talos OK -83 18" 77 81 77 97 parsed_2lj9 1
47 Cys73: 76 1 76 9 parsed_2lj9 1
48 "talos OK -1 18" 79 81 79 96 parsed_2lj9 1
49 "talos OK -82 18" 82 81 82 97 parsed_2lj9 1
50 Arg74: 81 1 81 9 parsed_2lj9 1
51 "talos OK -12 28" 84 81 84 97 parsed_2lj9 1
stop_
save_
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