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 |
|
|
29517 |
1ay3   |
cing | 2-parsed | STAR | dihedral angle | 11 |
data_1ay3_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1ay3
_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_1ay3 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1ay3
_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 1ay3 "Master copy" parsed_1ay3
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1ay3
_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 1ay3.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1ay3 1
1 1ay3.mr . . DISCOVER 2 distance NOE simple 100 parsed_1ay3 1
1 1ay3.mr . . DISCOVER 3 "dihedral angle" "Not applicable" "Not applicable" 11 parsed_1ay3 1
1 1ay3.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1ay3 1
stop_
save_
save_Discover_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1ay3
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 4 GLU CA 1 4 GLU CB 1 4 GLU CG 1 4 GLU CD parsed_1ay3 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -30.000 . 1 4 GLU N 1 4 GLU CA 1 4 GLU CB 1 4 GLU CG parsed_1ay3 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -30.000 . 1 2 ARG N 1 2 ARG CA 1 2 ARG CB 1 2 ARG CG parsed_1ay3 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.000 180.000 . 1 4 GLU CD 1 5 MDH N 1 5 MDH CA 1 5 MDH CD parsed_1ay3 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.0 -108.0 . 1 1 MAS HN 1 1 MAS N 1 1 MAS CA 1 1 MAS HA parsed_1ay3 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7.4 156.9 . 1 1 MAS HA 1 1 MAS CA 1 1 MAS CB 1 1 MAS HB parsed_1ay3 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 -130.0 . 1 2 ARG HN 1 2 ARG N 1 2 ARG CA 1 2 ARG HA parsed_1ay3 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.3 -127.3 . 1 3 ADD HN 1 3 ADD N 1 3 ADD CA 1 3 ADD HA parsed_1ay3 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 -90.0 . 1 3 ADD HA 1 3 ADD CA 1 3 ADD C1 1 3 ADD H1 parsed_1ay3 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 -90.0 . 1 3 ADD H4 1 3 ADD C4 1 3 ADD C5 1 3 ADD H5 parsed_1ay3 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 -105.0 . 1 4 GLU HN 1 4 GLU N 1 4 GLU CA 1 4 GLU HA parsed_1ay3 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 NMR_dihedral 1 1 1 13 parsed_1ay3 1
2 3J_dihedral 6 1 7 12 parsed_1ay3 1
3 "A=6.700, B=-1.300, C=1.500" 8 124 8 150 parsed_1ay3 1
4 "A=9.500, B=-1.600, C=1.800" 9 124 9 150 parsed_1ay3 1
5 "A=6.700, B=-1.300, C=1.500" 10 124 10 150 parsed_1ay3 1
6 "A=6.700, B=-1.300, C=1.500" 11 124 11 150 parsed_1ay3 1
7 "A=9.500, B=-1.600, C=1.800" 12 124 12 150 parsed_1ay3 1
8 "A=9.500, B=-1.600, C=1.800" 13 124 13 150 parsed_1ay3 1
stop_
save_
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