NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
41217 |
1wr3   |
cing | 2-parsed | STAR | dihedral angle | 30 |
data_1wr3_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1wr3
_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_1wr3 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1wr3
_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 1wr3 "Master copy" parsed_1wr3
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1wr3
_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 1wr3.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1wr3 1
1 1wr3.mr . . XPLOR/CNS 2 distance NOE ambi 513 parsed_1wr3 1
1 1wr3.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 30 parsed_1wr3 1
1 1wr3.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1wr3 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1wr3
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -122.00 -62.00 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_1wr3 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.00 -75.00 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_1wr3 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -129.00 -69.00 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_1wr3 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -132.00 -72.00 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_1wr3 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.00 -80.00 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_1wr3 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -121.00 -61.00 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_1wr3 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -128.00 -68.00 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_1wr3 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -113.00 -53.00 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_1wr3 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.00 -55.00 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_1wr3 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -90.00 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_1wr3 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -90.00 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_1wr3 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -128.00 -68.00 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_1wr3 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.00 -45.00 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_1wr3 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.00 -50.00 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_1wr3 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -114.00 -54.00 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_1wr3 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.00 90.00 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_1wr3 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -114.00 -54.00 . . 27 . C . 28 . N . 28 . CA . 28 . C parsed_1wr3 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -132.00 -72.00 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_1wr3 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.00 -44.00 . . 29 . C . 30 . N . 30 . CA . 30 . C parsed_1wr3 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -121.00 -61.00 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_1wr3 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -121.00 -61.00 . . 31 . C . 32 . N . 32 . CA . 32 . C parsed_1wr3 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 0.00 . . 9 . N . 9 . CA . 9 . CB . 9 . CG parsed_1wr3 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 0.00 . . 12 . N . 12 . CA . 12 . CB . 12 . CG parsed_1wr3 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.00 120.00 . . 20 . N . 20 . CA . 20 . CB . 20 . CG parsed_1wr3 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 0.00 . . 21 . N . 21 . CA . 21 . CB . 21 . CG parsed_1wr3 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.00 120.00 . . 22 . N . 22 . CA . 22 . CB . 22 . CG1 parsed_1wr3 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.00 240.00 . . 23 . N . 23 . CA . 23 . CB . 23 . CG parsed_1wr3 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.00 240.00 . . 25 . N . 25 . CA . 25 . CB . 25 . CG parsed_1wr3 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.00 120.00 . . 30 . N . 30 . CA . 30 . CB . 30 . CG parsed_1wr3 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 0.00 . . 31 . N . 31 . CA . 31 . CB . 31 . CG parsed_1wr3 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 "PHI (infit)" 3 1 3 13 parsed_1wr3 1
2 CHI1 68 1 68 6 parsed_1wr3 1
stop_
save_
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