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 |
|
|
39638 |
1tm6   |
6289 | cing | 2-parsed | STAR | dihedral angle | 22 |
data_1tm6_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1tm6
_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_1tm6 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1tm6
_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 1tm6 "Master copy" parsed_1tm6
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1tm6
_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 1tm6.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1tm6 1
1 1tm6.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1tm6 1
1 1tm6.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 22 parsed_1tm6 1
1 1tm6.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1tm6 1
1 1tm6.mr . . STAR 5 sequence "Not applicable" "Not applicable" 0 parsed_1tm6 1
1 1tm6.mr . . STAR 6 "chemical shift" "Not applicable" "Not applicable" 0 parsed_1tm6 1
1 1tm6.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1tm6 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1tm6
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -25.0 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_1tm6 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 52.0 192.0 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_1tm6 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.0 -34.0 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_1tm6 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -5.0 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_1tm6 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101.0 -31.0 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_1tm6 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.0 -6.0 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_1tm6 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -103.0 -33.0 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_1tm6 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -5.0 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_1tm6 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -106.0 -36.0 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_1tm6 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.0 -1.0 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_1tm6 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109.0 -39.0 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_1tm6 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.0 9.0 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_1tm6 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 3 . N . 3 . CA . 3 . CB . 3 . CG parsed_1tm6 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 4 . N . 4 . CA . 4 . CB . 4 . CG parsed_1tm6 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 6 . N . 6 . CA . 6 . CB . 6 . SG parsed_1tm6 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 8 . N . 8 . CA . 8 . CB . 8 . SG parsed_1tm6 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 10 . N . 10 . CA . 10 . CB . 10 . OG parsed_1tm6 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 12 . N . 12 . CA . 12 . CB . 12 . CG parsed_1tm6 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 14 . N . 14 . CA . 14 . CB . 14 . CG parsed_1tm6 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 16 . N . 16 . CA . 16 . CB . 16 . CG parsed_1tm6 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 17 . N . 17 . CA . 17 . CB . 17 . SG parsed_1tm6 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 18 . N . 18 . CA . 18 . CB . 18 . CG parsed_1tm6 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 D4 2 1 2 6 parsed_1tm6 1
2 y14 7 1 7 7 parsed_1tm6 1
3 k15 12 1 12 7 parsed_1tm6 1
4 q16 17 1 17 7 parsed_1tm6 1
5 c17 22 1 22 7 parsed_1tm6 1
6 h18 27 1 27 7 parsed_1tm6 1
7
;
!
Chi angles
N3 -60.0 (B2=2.52 B3=2.79)
;
32 1 35 30 parsed_1tm6 1
8 "D4 -60.0 (B2=2.69 B3=2.97)" 38 1 38 30 parsed_1tm6 1
9 "C6 60.0 (B2=2.43 B3=3.29)" 41 1 41 30 parsed_1tm6 1
10 "C8 180.0 (B2=3.24 B3=2.86)" 44 1 44 30 parsed_1tm6 1
11 "S10 60.0 (B2=3.94 B3=4.22)" 47 1 47 30 parsed_1tm6 1
12 "K12 -60.0 (B2=1.53 B3=1.84)" 50 1 50 30 parsed_1tm6 1
13 "Y14 180.0 (B2=3.25 B3=3.19)" 53 1 53 30 parsed_1tm6 1
14 "Q16 -60.0 (B2=1.98 B3=2.34)" 56 1 56 30 parsed_1tm6 1
15 "C17 180.0 (B2=2.53 B3=3.01)" 59 1 59 30 parsed_1tm6 1
16 "H18 -60.0 (B2=3.10 B3=3.44)" 62 1 62 30 parsed_1tm6 1
stop_
save_
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