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 |
|
|
30489 |
1cnn   |
4500 | cing | 2-parsed | STAR | dihedral angle | 30 |
data_1cnn_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1cnn
_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_1cnn 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1cnn
_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 1cnn "Master copy" parsed_1cnn
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1cnn
_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 1cnn.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1cnn 1
1 1cnn.mr . . XPLOR/CNS 2 distance NOE simple 466 parsed_1cnn 1
1 1cnn.mr . . XPLOR/CNS 3 distance NOE ambi 12 parsed_1cnn 1
1 1cnn.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 27 parsed_1cnn 1
1 1cnn.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 30 parsed_1cnn 1
1 1cnn.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1cnn 1
stop_
save_
save_CNS/XPLOR_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1cnn
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 5
_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 -90.0 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_1cnn 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_1cnn 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_1cnn 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_1cnn 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_1cnn 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_1cnn 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_1cnn 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_1cnn 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_1cnn 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_1cnn 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_1cnn 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_1cnn 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_1cnn 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_1cnn 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -20.0 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_1cnn 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -20.0 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_1cnn 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -20.0 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_1cnn 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -20.0 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_1cnn 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 140.0 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_1cnn 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 140.0 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_1cnn 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_1cnn 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 150.0 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_1cnn 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 120.0 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_1cnn 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 1 . N . 1 . CA . 1 . CB . 1 . SG parsed_1cnn 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 13 . N . 13 . CA . 13 . CB . 13 . CG parsed_1cnn 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 15 . N . 15 . CA . 15 . CB . 15 . SG parsed_1cnn 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 16 . N . 16 . CA . 16 . CB . 16 . SG parsed_1cnn 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 20 . N . 20 . CA . 20 . CB . 20 . SG parsed_1cnn 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 26 . N . 26 . CA . 26 . CB . 26 . SG parsed_1cnn 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 19 . N . 19 . CA . 19 . CB . 19 . OG parsed_1cnn 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 angles
! 1
;
1 1 2 8 parsed_1cnn 1
2 "! 2" 5 1 5 8 parsed_1cnn 1
3 "! 2" 8 1 8 8 parsed_1cnn 1
4 "! 2" 11 1 11 8 parsed_1cnn 1
5 "! 3" 14 1 14 8 parsed_1cnn 1
6 "! 3" 17 1 17 8 parsed_1cnn 1
7 "! 4" 20 1 20 5 parsed_1cnn 1
8 "! 5" 23 1 23 10 parsed_1cnn 1
9 "! 6" 26 1 26 5 parsed_1cnn 1
10 "! 7" 29 1 29 5 parsed_1cnn 1
11 "! 8" 32 1 32 5 parsed_1cnn 1
12 "! 9" 35 1 35 5 parsed_1cnn 1
13 "! 10" 38 1 38 6 parsed_1cnn 1
14 "! 11" 41 1 41 6 parsed_1cnn 1
15 "! 12" 44 1 44 6 parsed_1cnn 1
16 "! 13" 47 1 47 6 parsed_1cnn 1
17 "! 14" 50 1 50 6 parsed_1cnn 1
18 "! 15" 53 1 53 6 parsed_1cnn 1
19
;
! determined from structures
! 1
;
58 1 59 5 parsed_1cnn 1
20 "! 2" 62 1 62 5 parsed_1cnn 1
21 "! 3" 65 1 65 5 parsed_1cnn 1
22 "! 4" 68 1 68 5 parsed_1cnn 1
23 "! 5" 71 1 71 5 parsed_1cnn 1
24
;
chi angles
! 1
;
76 1 77 10 parsed_1cnn 1
25 "! 6" 80 3 80 10 parsed_1cnn 1
26 "! 7" 83 3 83 10 parsed_1cnn 1
27 "! 8" 86 3 86 10 parsed_1cnn 1
28 "! 8" 89 3 89 10 parsed_1cnn 1
29 "! 9" 92 3 92 10 parsed_1cnn 1
30 "! 10" 95 3 95 10 parsed_1cnn 1
stop_
save_
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