NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
521544 |
2lar   |
17535 | cing | 2-parsed | STAR | dihedral angle | 35 |
data_2lar_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2lar
_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_2lar 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2lar
_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 2lar "Master copy" parsed_2lar
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2lar
_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 2lar.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2lar 1
1 2lar.mr . . AMBER 2 distance NOE simple 228 parsed_2lar 1
1 2lar.mr . . AMBER 3 "dihedral angle" "Not applicable" "Not applicable" 80 parsed_2lar 1
1 2lar.mr . . AMBER 4 "dihedral angle" "Not applicable" "Not applicable" 35 parsed_2lar 1
1 2lar.mr . . AMBER 5 unknown "Not applicable" "Not applicable" 0 parsed_2lar 1
1 2lar.mr . . AMBER 6 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2lar 1
1 2lar.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2lar 1
stop_
save_
save_AMBER_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2lar
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.6 -17.6 . 2lar_ambr001 1 ADE C4' 2lar_ambr001 1 ADE O4' 2lar_ambr001 1 ADE C1' 2lar_ambr001 1 ADE C2' parsed_2lar 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 18.8 48.8 . 2lar_ambr001 1 ADE O4' 2lar_ambr001 1 ADE C1' 2lar_ambr001 1 ADE C2' 2lar_ambr001 1 ADE C3' parsed_2lar 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -36.6 -6.6 . 2lar_ambr001 1 ADE C1' 2lar_ambr001 1 ADE C2' 2lar_ambr001 1 ADE C3' 2lar_ambr001 1 ADE C4' parsed_2lar 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -15.0 18.1 . 2lar_ambr001 1 ADE C2' 2lar_ambr001 1 ADE C3' 2lar_ambr001 1 ADE C4' 2lar_ambr001 1 ADE O4' parsed_2lar 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4.2 34.2 . 2lar_ambr001 1 ADE C3' 2lar_ambr001 1 ADE C4' 2lar_ambr001 1 ADE O4' 2lar_ambr001 1 ADE C1' parsed_2lar 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.6 -12.6 . 2lar_ambr001 2 THY C4' 2lar_ambr001 2 THY O4' 2lar_ambr001 2 THY C1' 2lar_ambr001 2 THY C2' parsed_2lar 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.6 51.6 . 2lar_ambr001 2 THY O4' 2lar_ambr001 2 THY C1' 2lar_ambr001 2 THY C2' 2lar_ambr001 2 THY C3' parsed_2lar 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44.4 -14.4 . 2lar_ambr001 2 THY C1' 2lar_ambr001 2 THY C2' 2lar_ambr001 2 THY C3' 2lar_ambr001 2 THY C4' parsed_2lar 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.6 27.4 . 2lar_ambr001 2 THY C2' 2lar_ambr001 2 THY C3' 2lar_ambr001 2 THY C4' 2lar_ambr001 2 THY O4' parsed_2lar 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5.5 24.5 . 2lar_ambr001 2 THY C3' 2lar_ambr001 2 THY C4' 2lar_ambr001 2 THY O4' 2lar_ambr001 2 THY C1' parsed_2lar 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -43.3 -13.3 . 2lar_ambr001 4 GUA C4' 2lar_ambr001 4 GUA O4' 2lar_ambr001 4 GUA C1' 2lar_ambr001 4 GUA C2' parsed_2lar 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19.2 49.2 . 2lar_ambr001 4 GUA O4' 2lar_ambr001 4 GUA C1' 2lar_ambr001 4 GUA C2' 2lar_ambr001 4 GUA C3' parsed_2lar 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -38.9 -8.9 . 2lar_ambr001 4 GUA C1' 2lar_ambr001 4 GUA C2' 2lar_ambr001 4 GUA C3' 2lar_ambr001 4 GUA C4' parsed_2lar 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -13.8 26.7 . 2lar_ambr001 4 GUA C2' 2lar_ambr001 4 GUA C3' 2lar_ambr001 4 GUA C4' 2lar_ambr001 4 GUA O4' parsed_2lar 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5.3 32.3 . 2lar_ambr001 4 GUA C3' 2lar_ambr001 4 GUA C4' 2lar_ambr001 4 GUA O4' 2lar_ambr001 4 GUA C1' parsed_2lar 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.4 -21.4 . 2lar_ambr001 5 THY C4' 2lar_ambr001 5 THY O4' 2lar_ambr001 5 THY C1' 2lar_ambr001 5 THY C2' parsed_2lar 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15.3 45.3 . 2lar_ambr001 5 THY O4' 2lar_ambr001 5 THY C1' 2lar_ambr001 5 THY C2' 2lar_ambr001 5 THY C3' parsed_2lar 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.6 1.4 . 2lar_ambr001 5 THY C1' 2lar_ambr001 5 THY C2' 2lar_ambr001 5 THY C3' 2lar_ambr001 5 THY C4' parsed_2lar 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -23.3 6.7 . 2lar_ambr001 5 THY C2' 2lar_ambr001 5 THY C3' 2lar_ambr001 5 THY C4' 2lar_ambr001 5 THY O4' parsed_2lar 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 12.0 42.0 . 2lar_ambr001 5 THY C3' 2lar_ambr001 5 THY C4' 2lar_ambr001 5 THY O4' 2lar_ambr001 5 THY C1' parsed_2lar 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -20.7 9.3 . 2lar_ambr001 7 CYT C4' 2lar_ambr001 7 CYT O4' 2lar_ambr001 7 CYT C1' 2lar_ambr001 7 CYT C2' parsed_2lar 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -31.6 -1.6 . 2lar_ambr001 7 CYT O4' 2lar_ambr001 7 CYT C1' 2lar_ambr001 7 CYT C2' 2lar_ambr001 7 CYT C3' parsed_2lar 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17.6 47.6 . 2lar_ambr001 7 CYT C1' 2lar_ambr001 7 CYT C2' 2lar_ambr001 7 CYT C3' 2lar_ambr001 7 CYT C4' parsed_2lar 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.4 -21.4 . 2lar_ambr001 7 CYT C2' 2lar_ambr001 7 CYT C3' 2lar_ambr001 7 CYT C4' 2lar_ambr001 7 CYT O4' parsed_2lar 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.9 40.9 . 2lar_ambr001 7 CYT C3' 2lar_ambr001 7 CYT C4' 2lar_ambr001 7 CYT O4' 2lar_ambr001 7 CYT C1' parsed_2lar 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.2 -17.2 . 2lar_ambr001 8 THY C4' 2lar_ambr001 8 THY O4' 2lar_ambr001 8 THY C1' 2lar_ambr001 8 THY C2' parsed_2lar 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.1 51.1 . 2lar_ambr001 8 THY O4' 2lar_ambr001 8 THY C1' 2lar_ambr001 8 THY C2' 2lar_ambr001 8 THY C3' parsed_2lar 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.6 -10.6 . 2lar_ambr001 8 THY C1' 2lar_ambr001 8 THY C2' 2lar_ambr001 8 THY C3' 2lar_ambr001 8 THY C4' parsed_2lar 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -9.3 20.7 . 2lar_ambr001 8 THY C2' 2lar_ambr001 8 THY C3' 2lar_ambr001 8 THY C4' 2lar_ambr001 8 THY O4' parsed_2lar 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1.5 31.5 . 2lar_ambr001 8 THY C3' 2lar_ambr001 8 THY C4' 2lar_ambr001 8 THY O4' 2lar_ambr001 8 THY C1' parsed_2lar 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.9 -17.9 . 2lar_ambr001 9 CYT C4' 2lar_ambr001 9 CYT O4' 2lar_ambr001 9 CYT C1' 2lar_ambr001 9 CYT C2' parsed_2lar 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15.6 45.6 . 2lar_ambr001 9 CYT O4' 2lar_ambr001 9 CYT C1' 2lar_ambr001 9 CYT C2' 2lar_ambr001 9 CYT C3' parsed_2lar 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -34.3 0.0 . 2lar_ambr001 9 CYT C1' 2lar_ambr001 9 CYT C2' 2lar_ambr001 9 CYT C3' 2lar_ambr001 9 CYT C4' parsed_2lar 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -22.6 17.5 . 2lar_ambr001 9 CYT C2' 2lar_ambr001 9 CYT C3' 2lar_ambr001 9 CYT C4' 2lar_ambr001 9 CYT O4' parsed_2lar 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6.1 36.6 . 2lar_ambr001 9 CYT C3' 2lar_ambr001 9 CYT C4' 2lar_ambr001 9 CYT O4' 2lar_ambr001 9 CYT C1' parsed_2lar 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
;
578 atoms read from pdb file BPR.pdb.
1 ADE NU0: (1 DA5 C4')-(1 DA5 O4')-(1 DA5 C1')-(1 DA5 C2') -47.6 -17.6
;
1 1 2 74 parsed_2lar 1
2 "1 ADE NU1: (1 DA5 O4')-(1 DA5 C1')-(1 DA5 C2')-(1 DA5 C3') 18.8 48.8" 7 1 7 74 parsed_2lar 1
3 "1 ADE NU2: (1 DA5 C1')-(1 DA5 C2')-(1 DA5 C3')-(1 DA5 C4') -36.6 -6.6" 12 1 12 74 parsed_2lar 1
4 "1 ADE NU3: (1 DA5 C2')-(1 DA5 C3')-(1 DA5 C4')-(1 DA5 O4') -15.0 18.1" 17 1 17 74 parsed_2lar 1
5 "1 ADE NU4: (1 DA5 C3')-(1 DA5 C4')-(1 DA5 O4')-(1 DA5 C1') 4.2 34.2" 22 1 22 74 parsed_2lar 1
6 "2 THY NU0: (2 DT C4')-(2 DT O4')-(2 DT C1')-(2 DT C2') -42.6 -12.6" 27 1 27 70 parsed_2lar 1
7 "2 THY NU1: (2 DT O4')-(2 DT C1')-(2 DT C2')-(2 DT C3') 21.6 51.6" 32 1 32 70 parsed_2lar 1
8 "2 THY NU2: (2 DT C1')-(2 DT C2')-(2 DT C3')-(2 DT C4') -44.4 -14.4" 37 1 37 70 parsed_2lar 1
9 "2 THY NU3: (2 DT C2')-(2 DT C3')-(2 DT C4')-(2 DT O4') -2.6 27.4" 42 1 42 70 parsed_2lar 1
10 "2 THY NU4: (2 DT C3')-(2 DT C4')-(2 DT O4')-(2 DT C1') -5.5 24.5" 47 1 47 70 parsed_2lar 1
11 "4 GUA NU0: (4 DG C4')-(4 DG O4')-(4 DG C1')-(4 DG C2') -43.3 -13.3" 52 1 52 70 parsed_2lar 1
12 "4 GUA NU1: (4 DG O4')-(4 DG C1')-(4 DG C2')-(4 DG C3') 19.2 49.2" 57 1 57 70 parsed_2lar 1
13 "4 GUA NU2: (4 DG C1')-(4 DG C2')-(4 DG C3')-(4 DG C4') -38.9 -8.9" 62 1 62 70 parsed_2lar 1
14 "4 GUA NU3: (4 DG C2')-(4 DG C3')-(4 DG C4')-(4 DG O4') -13.8 26.7" 67 1 67 70 parsed_2lar 1
15 "4 GUA NU4: (4 DG C3')-(4 DG C4')-(4 DG O4')-(4 DG C1') -5.3 32.3" 72 1 72 70 parsed_2lar 1
16 "5 THY NU0: (5 BPR C4')-(5 BPR O4')-(5 BPR C1')-(5 BPR C2') -51.4 -21.4" 77 1 77 74 parsed_2lar 1
17 "5 THY NU1: (5 BPR O4')-(5 BPR C1')-(5 BPR C2')-(5 BPR C3') 15.3 45.3" 82 1 82 74 parsed_2lar 1
18 "5 THY NU2: (5 BPR C1')-(5 BPR C2')-(5 BPR C3')-(5 BPR C4') -28.6 1.4" 87 1 87 74 parsed_2lar 1
19 "5 THY NU3: (5 BPR C2')-(5 BPR C3')-(5 BPR C4')-(5 BPR O4') -23.3 6.7" 92 1 92 74 parsed_2lar 1
20 "5 THY NU4: (5 BPR C3')-(5 BPR C4')-(5 BPR O4')-(5 BPR C1') 12.0 42.0" 97 1 97 74 parsed_2lar 1
21 "7 CYT NU0: (7 DC C4')-(7 DC O4')-(7 DC C1')-(7 DC C2') -20.7 9.3" 102 1 102 70 parsed_2lar 1
22 "7 CYT NU1: (7 DC O4')-(7 DC C1')-(7 DC C2')-(7 DC C3') -31.6 -1.6" 107 1 107 70 parsed_2lar 1
23 "7 CYT NU2: (7 DC C1')-(7 DC C2')-(7 DC C3')-(7 DC C4') 17.6 47.6" 112 1 112 70 parsed_2lar 1
24 "7 CYT NU3: (7 DC C2')-(7 DC C3')-(7 DC C4')-(7 DC O4') -51.4 -21.4" 117 1 117 70 parsed_2lar 1
25 "7 CYT NU4: (7 DC C3')-(7 DC C4')-(7 DC O4')-(7 DC C1') 10.9 40.9" 122 1 122 70 parsed_2lar 1
26 "8 THY NU0: (8 DT C4')-(8 DT O4')-(8 DT C1')-(8 DT C2') -47.2 -17.2" 127 1 127 70 parsed_2lar 1
27 "8 THY NU1: (8 DT O4')-(8 DT C1')-(8 DT C2')-(8 DT C3') 21.1 51.1" 132 1 132 70 parsed_2lar 1
28 "8 THY NU2: (8 DT C1')-(8 DT C2')-(8 DT C3')-(8 DT C4') -40.6 -10.6" 137 1 137 70 parsed_2lar 1
29 "8 THY NU3: (8 DT C2')-(8 DT C3')-(8 DT C4')-(8 DT O4') -9.3 20.7" 142 1 142 70 parsed_2lar 1
30 "8 THY NU4: (8 DT C3')-(8 DT C4')-(8 DT O4')-(8 DT C1') 1.5 31.5" 147 1 147 70 parsed_2lar 1
31 "9 CYT NU0: (9 DC3 C4')-(9 DC3 O4')-(9 DC3 C1')-(9 DC3 C2') -47.9 -17.9" 152 1 152 74 parsed_2lar 1
32 "9 CYT NU1: (9 DC3 O4')-(9 DC3 C1')-(9 DC3 C2')-(9 DC3 C3') 15.6 45.6" 157 1 157 74 parsed_2lar 1
33 "9 CYT NU2: (9 DC3 C1')-(9 DC3 C2')-(9 DC3 C3')-(9 DC3 C4') -34.3 0.0" 162 1 162 74 parsed_2lar 1
34 "9 CYT NU3: (9 DC3 C2')-(9 DC3 C3')-(9 DC3 C4')-(9 DC3 O4') -22.6 17.5" 167 1 167 74 parsed_2lar 1
35 "9 CYT NU4: (9 DC3 C3')-(9 DC3 C4')-(9 DC3 O4')-(9 DC3 C1') 6.1 36.6" 172 1 172 74 parsed_2lar 1
36 ============================================================================ 176 1 176 78 parsed_2lar 1
stop_
save_
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