NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
36270 |
1na2   |
5632 | cing | 2-parsed | STAR | dihedral angle | 30 |
data_1na2_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1na2
_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_1na2 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1na2
_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 1na2 "Master copy" parsed_1na2
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1na2
_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 1na2.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1na2 1
1 1na2.mr . . unknown 2 stereochemistry chirality "Not applicable" 0 parsed_1na2 1
1 1na2.mr . . XPLOR/CNS 3 planarity "Not applicable" "Not applicable" 0 parsed_1na2 1
1 1na2.mr . . unknown 4 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1na2 1
1 1na2.mr . . XPLOR/CNS 5 distance NOE simple 606 parsed_1na2 1
1 1na2.mr . . XPLOR/CNS 6 distance "hydrogen bond" simple 62 parsed_1na2 1
1 1na2.mr . . XPLOR/CNS 7 planarity "Not applicable" "Not applicable" 0 parsed_1na2 1
1 1na2.mr . . XPLOR/CNS 8 "dipolar coupling" "Not applicable" "Not applicable" 24 parsed_1na2 1
1 1na2.mr . . XPLOR/CNS 9 "dihedral angle" "Not applicable" "Not applicable" 107 parsed_1na2 1
1 1na2.mr . . n/a 10 comment "Not applicable" "Not applicable" 0 parsed_1na2 1
1 1na2.mr . . XPLOR/CNS 11 "dihedral angle" "Not applicable" "Not applicable" 30 parsed_1na2 1
1 1na2.mr . . "MR format" 12 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1na2 1
stop_
save_
save_CNS/XPLOR_dihedral_11
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1na2
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 11
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 1 . O4' . 1 . C1' . 1 . N9 . 1 . C4 parsed_1na2 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 2 . O4' . 2 . C1' . 2 . N9 . 2 . C4 parsed_1na2 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 3 . O4' . 3 . C1' . 3 . N9 . 3 . C4 parsed_1na2 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 4 . O4' . 4 . C1' . 4 . N1 . 4 . C2 parsed_1na2 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 5 . O4' . 5 . C1' . 5 . N1 . 5 . C2 parsed_1na2 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 6 . O4' . 6 . C1' . 6 . N9 . 6 . C4 parsed_1na2 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 7 . O4' . 7 . C1' . 7 . N1 . 7 . C2 parsed_1na2 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 8 . O4' . 8 . C1' . 8 . N1 . 8 . C2 parsed_1na2 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 9 . O4' . 9 . C1' . 9 . N1 . 9 . C2 parsed_1na2 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 10 . O4' . 10 . C1' . 10 . N1 . 10 . C2 parsed_1na2 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 11 . O4' . 11 . C1' . 11 . N1 . 11 . C2 parsed_1na2 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 12 . O4' . 12 . C1' . 12 . N1 . 12 . C2 parsed_1na2 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 13 . O4' . 13 . C1' . 13 . N1 . 13 . C2 parsed_1na2 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 14 . O4' . 14 . C1' . 14 . N1 . 14 . C2 parsed_1na2 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 90.0 . . 15 . O4' . 15 . C1' . 15 . N9 . 15 . C4 parsed_1na2 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 16 . O4' . 16 . C1' . 16 . N1 . 16 . C2 parsed_1na2 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 17 . O4' . 17 . C1' . 17 . N1 . 17 . C2 parsed_1na2 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 18 . O4' . 18 . C1' . 18 . N9 . 18 . C4 parsed_1na2 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 19 . O4' . 19 . C1' . 19 . N9 . 19 . C4 parsed_1na2 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 20 . O4' . 20 . C1' . 20 . N1 . 20 . C2 parsed_1na2 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 21 . O4' . 21 . C1' . 21 . N1 . 21 . C2 parsed_1na2 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 22 . O4' . 22 . C1' . 22 . N1 . 22 . C2 parsed_1na2 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 23 . O4' . 23 . C1' . 23 . N1 . 23 . C2 parsed_1na2 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 24 . O4' . 24 . C1' . 24 . N1 . 24 . C2 parsed_1na2 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 25 . O4' . 25 . C1' . 25 . N9 . 25 . C4 parsed_1na2 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 26 . O4' . 26 . C1' . 26 . N9 . 26 . C4 parsed_1na2 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 27 . O4' . 27 . C1' . 27 . N1 . 27 . C2 parsed_1na2 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 28 . O4' . 28 . C1' . 28 . N1 . 28 . C2 parsed_1na2 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 29 . O4' . 29 . C1' . 29 . N1 . 29 . C2 parsed_1na2 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 30 . O4' . 30 . C1' . 30 . N1 . 30 . C2 parsed_1na2 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 anti 5 67 5 73 parsed_1na2 1
2 anti 10 67 10 73 parsed_1na2 1
3 anti 15 67 15 73 parsed_1na2 1
4 anti 20 67 20 73 parsed_1na2 1
5 anti 25 67 25 73 parsed_1na2 1
6 anti 30 67 30 73 parsed_1na2 1
7 anti 35 67 35 73 parsed_1na2 1
8 anti 40 67 40 73 parsed_1na2 1
9 anti 45 67 45 73 parsed_1na2 1
10 anti 50 67 50 73 parsed_1na2 1
11 anti 55 67 55 73 parsed_1na2 1
12 anti 60 67 60 73 parsed_1na2 1
13 anti 65 67 65 73 parsed_1na2 1
14 anti 70 67 70 73 parsed_1na2 1
15 syn 75 67 75 72 parsed_1na2 1
16 anti 80 67 80 73 parsed_1na2 1
17 anti 85 67 85 73 parsed_1na2 1
18 anti 90 67 90 73 parsed_1na2 1
19 anti 95 67 95 73 parsed_1na2 1
20 anti 100 67 100 73 parsed_1na2 1
21 anti 105 67 105 73 parsed_1na2 1
22 anti 110 67 110 73 parsed_1na2 1
23 anti 115 67 115 73 parsed_1na2 1
24 anti 120 67 120 73 parsed_1na2 1
25 anti 125 67 125 73 parsed_1na2 1
26 anti 130 67 130 73 parsed_1na2 1
27 anti 135 67 135 73 parsed_1na2 1
28 anti 140 67 140 73 parsed_1na2 1
29 anti 145 67 145 73 parsed_1na2 1
30 anti 150 67 150 73 parsed_1na2 1
stop_
save_
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