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 |
|
|
38208 |
1r2p   |
5962 | cing | 2-parsed | STAR | dihedral angle | 34 |
data_1r2p_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1r2p
_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_1r2p 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1r2p
_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 1r2p "Master copy" parsed_1r2p
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1r2p
_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 1r2p.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1r2p 1
1 1r2p.mr . . XPLOR/CNS 2 "dipolar coupling" "Not applicable" "Not applicable" 24 parsed_1r2p 1
1 1r2p.mr . . XPLOR/CNS 3 distance NOE simple 433 parsed_1r2p 1
1 1r2p.mr . . XPLOR/CNS 4 distance NOE simple 163 parsed_1r2p 1
1 1r2p.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 118 parsed_1r2p 1
1 1r2p.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 16 parsed_1r2p 1
1 1r2p.mr . . XPLOR/CNS 7 "dihedral angle" "Not applicable" "Not applicable" 93 parsed_1r2p 1
1 1r2p.mr . . XPLOR/CNS 8 "dihedral angle" "Not applicable" "Not applicable" 34 parsed_1r2p 1
1 1r2p.mr . . "MR format" 9 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1r2p 1
stop_
save_
save_CNS/XPLOR_dihedral_8
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1r2p
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 8
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -150.0 . . 1 . O4' . 1 . C1' . 1 . N9 . 1 . C4 parsed_1r2p 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -150.0 . . 2 . O4' . 2 . C1' . 2 . N9 . 2 . C4 parsed_1r2p 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -150.0 . . 3 . O4' . 3 . C1' . 3 . N9 . 3 . C4 parsed_1r2p 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -150.0 . . 4 . O4' . 4 . C1' . 4 . N1 . 4 . C2 parsed_1r2p 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -150.0 . . 5 . O4' . 5 . C1' . 5 . N1 . 5 . C2 parsed_1r2p 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -150.0 . . 6 . O4' . 6 . C1' . 6 . N9 . 6 . C4 parsed_1r2p 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -150.0 . . 7 . O4' . 7 . C1' . 7 . N1 . 7 . C2 parsed_1r2p 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -150.0 . . 8 . O4' . 8 . C1' . 8 . N9 . 8 . C4 parsed_1r2p 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -150.0 . . 9 . O4' . 9 . C1' . 9 . N1 . 9 . C2 parsed_1r2p 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -150.0 . . 10 . O4' . 10 . C1' . 10 . N9 . 10 . C4 parsed_1r2p 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -150.0 . . 11 . O4' . 11 . C1' . 11 . N1 . 11 . C2 parsed_1r2p 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -150.0 . . 12 . O4' . 12 . C1' . 12 . N9 . 12 . C4 parsed_1r2p 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -150.0 . . 13 . O4' . 13 . C1' . 13 . N9 . 13 . C4 parsed_1r2p 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -150.0 . . 14 . O4' . 14 . C1' . 14 . N1 . 14 . C2 parsed_1r2p 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -150.0 . . 15 . O4' . 15 . C1' . 15 . N9 . 15 . C4 parsed_1r2p 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -150.0 . . 16 . O4' . 16 . C1' . 16 . N9 . 16 . C4 parsed_1r2p 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -220.0 -100.0 . . 17 . O4' . 17 . C1' . 17 . N9 . 17 . C4 parsed_1r2p 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -150.0 . . 18 . O4' . 18 . C1' . 18 . N9 . 18 . C4 parsed_1r2p 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -150.0 . . 19 . O4' . 19 . C1' . 19 . N9 . 19 . C4 parsed_1r2p 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -150.0 . . 20 . O4' . 20 . C1' . 20 . N1 . 20 . C2 parsed_1r2p 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -150.0 . . 21 . O4' . 21 . C1' . 21 . N1 . 21 . C2 parsed_1r2p 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -150.0 . . 22 . O4' . 22 . C1' . 22 . N9 . 22 . C4 parsed_1r2p 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -150.0 . . 23 . O4' . 23 . C1' . 23 . N1 . 23 . C2 parsed_1r2p 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -150.0 . . 24 . O4' . 24 . C1' . 24 . N9 . 24 . C4 parsed_1r2p 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -150.0 . . 25 . O4' . 25 . C1' . 25 . N1 . 25 . C2 parsed_1r2p 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 100.0 . . 26 . O4' . 26 . C1' . 26 . N1 . 26 . C2 parsed_1r2p 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -150.0 . . 27 . O4' . 27 . C1' . 27 . N1 . 27 . C2 parsed_1r2p 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -150.0 . . 28 . O4' . 28 . C1' . 28 . N9 . 28 . C4 parsed_1r2p 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -150.0 . . 29 . O4' . 29 . C1' . 29 . N1 . 29 . C2 parsed_1r2p 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -150.0 . . 30 . O4' . 30 . C1' . 30 . N9 . 30 . C4 parsed_1r2p 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -150.0 . . 31 . O4' . 31 . C1' . 31 . N9 . 31 . C4 parsed_1r2p 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -150.0 . . 32 . O4' . 32 . C1' . 32 . N1 . 32 . C2 parsed_1r2p 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -150.0 . . 33 . O4' . 33 . C1' . 33 . N1 . 33 . C2 parsed_1r2p 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -150.0 . . 34 . O4' . 34 . C1' . 34 . N1 . 34 . C2 parsed_1r2p 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 "* chi angles to define trans or syn conformation of nucleobases *" 2 1 2 1 parsed_1r2p 1
2 "* nassign=1000 *" 4 1 4 1 parsed_1r2p 1
3 *chi* 8 59 8 59 parsed_1r2p 1
4 *chi* 13 59 13 59 parsed_1r2p 1
5 *chi* 18 59 18 59 parsed_1r2p 1
6 *chi* 23 59 23 59 parsed_1r2p 1
7 *chi* 28 59 28 59 parsed_1r2p 1
8 *chi* 33 59 33 59 parsed_1r2p 1
9 *chi* 38 60 38 60 parsed_1r2p 1
10 *chi* 43 60 43 60 parsed_1r2p 1
11 *chi* 48 60 48 60 parsed_1r2p 1
12 *chi* 53 60 53 60 parsed_1r2p 1
13 *chi* 58 60 58 60 parsed_1r2p 1
14 *chi* 63 60 63 60 parsed_1r2p 1
15 *chi* 68 60 68 60 parsed_1r2p 1
16 *chi* 73 60 73 60 parsed_1r2p 1
17 *chi* 78 60 78 60 parsed_1r2p 1
18 *chi* 83 60 83 60 parsed_1r2p 1
19 *chi* 88 60 88 60 parsed_1r2p 1
20 *chi* 93 60 93 60 parsed_1r2p 1
21 *chi* 98 60 98 60 parsed_1r2p 1
22 *chi* 103 60 103 60 parsed_1r2p 1
23 *chi* 108 60 108 60 parsed_1r2p 1
24 *chi* 113 60 113 60 parsed_1r2p 1
25 *chi* 118 60 118 60 parsed_1r2p 1
26 *chi* 123 60 123 60 parsed_1r2p 1
27 *chi* 128 60 128 60 parsed_1r2p 1
28 *chi* 133 60 133 60 parsed_1r2p 1
29 *chi* 138 60 138 60 parsed_1r2p 1
30 *chi* 143 60 143 60 parsed_1r2p 1
31 *chi* 148 60 148 60 parsed_1r2p 1
32 *chi* 153 60 153 60 parsed_1r2p 1
33 *chi* 158 60 158 60 parsed_1r2p 1
34 *chi* 163 60 163 60 parsed_1r2p 1
35 *chi* 168 60 168 60 parsed_1r2p 1
36 *chi* 173 60 173 60 parsed_1r2p 1
stop_
save_
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