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 |
|
|
633968 |
6mk4   |
30521 | cing | 2-parsed | STAR | dihedral angle | 38 |
data_6mk4_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6mk4
_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_6mk4 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6mk4
_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 6mk4 "Master copy" parsed_6mk4
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6mk4
_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 6mk4.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6mk4 1
1 6mk4.mr . . XPLOR/CNS 2 distance NOE simple 366 parsed_6mk4 1
1 6mk4.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 38 parsed_6mk4 1
1 6mk4.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 0 parsed_6mk4 1
1 6mk4.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6mk4 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6mk4
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.5 -75.7 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_6mk4 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.1 186.7 . . 2 . N . 2 . CA . 2 . C . 3 . N parsed_6mk4 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -128.4 -84.4 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_6mk4 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.2 -44.2 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_6mk4 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.3 176.5 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_6mk4 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.0 -37.0 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_6mk4 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.8 8.2 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_6mk4 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 7 . N . 7 . CA . 7 . CB . 7 . CG parsed_6mk4 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.6 -120.6 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_6mk4 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 141.3 181.3 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_6mk4 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 9 . N . 9 . CA . 9 . CB . 9 . SG parsed_6mk4 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.8 -42.8 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_6mk4 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44.7 -4.7 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_6mk4 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.5 -52.5 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_6mk4 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.3 159.9 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_6mk4 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.8 -57.6 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_6mk4 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.7 166.9 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_6mk4 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.9 -53.9 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_6mk4 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.0 164.0 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_6mk4 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.9 -37.9 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_6mk4 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.5 153.5 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_6mk4 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 72.0 112.0 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_6mk4 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -21.3 18.7 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_6mk4 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -144.3 -104.3 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_6mk4 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -147.3 -107.3 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_6mk4 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 119.6 172.0 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_6mk4 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.7 -50.7 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_6mk4 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.0 166.0 . . 21 . N . 21 . CA . 21 . C . 22 . N parsed_6mk4 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 21 . N . 21 . CA . 21 . CB . 21 . SG parsed_6mk4 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.9 -41.9 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_6mk4 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.3 -18.3 . . 23 . N . 23 . CA . 23 . C . 24 . N parsed_6mk4 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.9 -52.9 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_6mk4 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.4 161.4 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_6mk4 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 25 . N . 25 . CA . 25 . CB . 25 . SG parsed_6mk4 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.3 -83.3 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_6mk4 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.5 181.9 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_6mk4 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.2 -36.2 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_6mk4 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.5 172.5 . . 27 . N . 27 . CA . 27 . C . 28 . N parsed_6mk4 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 restraints" 1 1 1 21 parsed_6mk4 1
stop_
save_
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