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 |
|
|
34231 |
1jlp   |
5112 | cing | 2-parsed | STAR | dihedral angle | 14 |
data_1jlp_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1jlp
_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_1jlp 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1jlp
_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 1jlp "Master copy" parsed_1jlp
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1jlp
_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 1jlp.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1jlp 1
1 1jlp.mr . . DISCOVER 2 stereochemistry prochirality "Not applicable" 0 parsed_1jlp 1
1 1jlp.mr . . DISCOVER 3 stereochemistry chirality "Not applicable" 0 parsed_1jlp 1
1 1jlp.mr . . DISCOVER 4 distance NOE simple 159 parsed_1jlp 1
1 1jlp.mr . . DISCOVER 5 distance NOE simple 221 parsed_1jlp 1
1 1jlp.mr . . DISCOVER 6 distance NOE ambi 12 parsed_1jlp 1
1 1jlp.mr . . n/a 7 comment "Not applicable" "Not applicable" 0 parsed_1jlp 1
1 1jlp.mr . . DISCOVER 8 "dihedral angle" "Not applicable" "Not applicable" 14 parsed_1jlp 1
1 1jlp.mr . . "MR format" 9 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1jlp 1
stop_
save_
save_Discover_dihedral_8
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1jlp
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -100.0 . 1 4 CYS HN 1 4 CYS N 1 4 CYS CA 1 4 CYS HA parsed_1jlp 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 -140.0 . 1 5 CYS HN 1 5 CYS N 1 5 CYS CA 1 5 CYS HA parsed_1jlp 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 -140.0 . 1 9 SER HA 1 9 SER CA 1 9 SER N 1 9 SER HN parsed_1jlp 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 -140.0 . 1 11 ARG HN 1 11 ARG N 1 11 ARG CA 1 11 ARG HA parsed_1jlp 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 -140.0 . 1 18 ASN HN 1 18 ASN N 1 18 ASN CA 1 18 ASN HA parsed_1jlp 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -100.0 . 1 20 LEU HN 1 20 LEU N 1 20 LEU CA 1 20 LEU HA parsed_1jlp 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 -140.0 . 1 22 CYS HN 1 22 CYS N 1 22 CYS CA 1 22 CYS HA parsed_1jlp 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165.0 -165.0 . 1 4 CYS N 1 4 CYS CA 1 4 CYS CB 1 4 CYS SG parsed_1jlp 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -45.0 . 1 5 CYS N 1 5 CYS CA 1 5 CYS CB 1 5 CYS SG parsed_1jlp 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -45.0 . 1 7 TYR N 1 7 TYR CA 1 7 TYR CB 1 7 TYR CG parsed_1jlp 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165.0 -165.0 . 1 11 ARG N 1 11 ARG CA 1 11 ARG CB 1 11 ARG CG parsed_1jlp 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -45.0 . 1 13 PHE N 1 13 PHE CA 1 13 PHE CB 1 13 PHE CG parsed_1jlp 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165.0 -165.0 . 1 16 CYS N 1 16 CYS CA 1 16 CYS CB 1 16 CYS SG parsed_1jlp 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 45.0 75.0 . 1 21 CYS N 1 21 CYS CA 1 21 CYS CB 1 21 CYS SG parsed_1jlp 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 3J_dihedral 1 1 1 12 parsed_1jlp 1
2 "A=6.400, B=-1.400, C=1.900" 8 124 8 150 parsed_1jlp 1
stop_
save_
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