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 |
|
|
578710 |
2mmj   |
19856 | cing | 2-parsed | STAR | dihedral angle | 31 |
data_2mmj_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2mmj
_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_2mmj 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2mmj
_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 2mmj "Master copy" parsed_2mmj
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2mmj
_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 2mmj.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2mmj 1
1 2mmj.mr . . XPLOR/CNS 2 distance NOE simple 204 parsed_2mmj 1
1 2mmj.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 31 parsed_2mmj 1
1 2mmj.mr . . XPLOR/CNS 4 distance PRE "Not applicable" 0 parsed_2mmj 1
1 2mmj.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2mmj 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2mmj
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_2mmj 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.00 -13.00 . . 2 . N . 2 . CA . 2 . C . 3 . N parsed_2mmj 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.00 -32.00 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_2mmj 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.00 -8.00 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_2mmj 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.00 -36.00 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_2mmj 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.00 -9.00 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_2mmj 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.00 -37.00 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_2mmj 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.00 -13.00 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_2mmj 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.00 -36.00 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_2mmj 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.00 -9.00 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_2mmj 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.00 -37.00 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_2mmj 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.00 -8.00 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_2mmj 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -107.00 -47.00 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_2mmj 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.00 7.00 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_2mmj 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.00 -32.00 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_2mmj 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.00 -11.00 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_2mmj 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.00 -34.00 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_2mmj 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.00 -12.00 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_2mmj 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.00 -35.00 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_2mmj 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.00 -8.00 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_2mmj 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.00 -34.00 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_2mmj 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.00 -13.00 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_2mmj 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.00 -37.00 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_2mmj 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.00 -11.00 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_2mmj 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.00 -33.00 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_2mmj 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.00 -11.00 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_2mmj 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.00 -39.00 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_2mmj 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.00 -8.00 . . 19 . N . 19 . CA . 19 . C . 20 . N parsed_2mmj 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.00 -35.00 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_2mmj 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.00 -9.00 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_2mmj 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.00 -9.00 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_2mmj 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
;
dihedral angle constraints
PHI 2
;
1 1 2 8 parsed_2mmj 1
2 "PSI 2" 5 1 5 8 parsed_2mmj 1
3 "PHI 3" 8 1 8 8 parsed_2mmj 1
4 "PSI 3" 11 1 11 8 parsed_2mmj 1
5 "PHI 4" 14 1 14 8 parsed_2mmj 1
6 "PSI 4" 17 1 17 8 parsed_2mmj 1
7 "PHI 5" 20 1 20 8 parsed_2mmj 1
8 "PSI 5" 23 1 23 8 parsed_2mmj 1
9 "PHI 6" 26 1 26 8 parsed_2mmj 1
10 "PSI 6" 29 1 29 8 parsed_2mmj 1
11 "PHI 7" 32 1 32 8 parsed_2mmj 1
12 "PSI 7" 35 1 35 8 parsed_2mmj 1
13 "PHI 8" 38 1 38 8 parsed_2mmj 1
14 "PSI 8" 41 1 41 8 parsed_2mmj 1
15 "PHI 13" 44 1 44 9 parsed_2mmj 1
16 "PSI 13" 47 1 47 9 parsed_2mmj 1
17 "PHI 14" 50 1 50 9 parsed_2mmj 1
18 "PSI 14" 53 1 53 9 parsed_2mmj 1
19 "PHI 15" 56 1 56 9 parsed_2mmj 1
20 "PSI 15" 59 1 59 9 parsed_2mmj 1
21 "PHI 16" 62 1 62 9 parsed_2mmj 1
22 "PSI 16" 65 1 65 9 parsed_2mmj 1
23 "PHI 17" 68 1 68 9 parsed_2mmj 1
24 "PSI 17" 71 1 71 9 parsed_2mmj 1
25 "PHI 18" 74 1 74 9 parsed_2mmj 1
26 "PSI 18" 77 1 77 9 parsed_2mmj 1
27 "PHI 19" 80 1 80 9 parsed_2mmj 1
28 "PSI 19" 83 1 83 9 parsed_2mmj 1
29 "PHI 20" 86 1 86 9 parsed_2mmj 1
30 "PSI 20" 89 1 89 9 parsed_2mmj 1
31 "PSI 20" 92 1 92 9 parsed_2mmj 1
stop_
save_
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