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 |
|
|
627310 |
6btv   |
30377 | cing | 2-parsed | STAR | dihedral angle | 35 |
data_6btv_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6btv
_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_6btv 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6btv
_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 6btv "Master copy" parsed_6btv
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6btv
_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 6btv.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6btv 1
1 6btv.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 35 parsed_6btv 1
1 6btv.mr . . XPLOR/CNS 3 distance NOE simple 0 parsed_6btv 1
1 6btv.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 0 parsed_6btv 1
1 6btv.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6btv 1
stop_
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6btv
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 2
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -117.8 -39.8 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_6btv 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.3 175.1 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_6btv 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.2 -46.2 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_6btv 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.1 -120.3 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_6btv 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 138.8 178.8 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_6btv 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.1 -57.9 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_6btv 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 97.0 179.8 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_6btv 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.3 -48.3 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_6btv 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.9 -25.1 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_6btv 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 39.0 79.0 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_6btv 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.9 177.9 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_6btv 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -178.8 -105.2 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_6btv 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.5 172.1 . . 21 . N . 21 . CA . 21 . C . 22 . N parsed_6btv 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.6 -42.6 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_6btv 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.1 180.1 . . 22 . N . 22 . CA . 22 . C . 23 . N parsed_6btv 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -124.0 -57.2 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_6btv 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.0 175.0 . . 23 . N . 23 . CA . 23 . C . 24 . N parsed_6btv 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -107.0 -67.0 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_6btv 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.7 -17.7 . . 24 . N . 24 . CA . 24 . C . 25 . N parsed_6btv 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.8 -44.8 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_6btv 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.7 -14.7 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_6btv 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -117.1 -46.1 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_6btv 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.6 16.6 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_6btv 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.4 -48.6 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_6btv 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.1 155.1 . . 31 . N . 31 . CA . 31 . C . 32 . N parsed_6btv 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.1 -53.1 . . 31 . C . 32 . N . 32 . CA . 32 . C parsed_6btv 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.5 155.1 . . 32 . N . 32 . CA . 32 . C . 33 . N parsed_6btv 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -107.8 -51.6 . . 32 . C . 33 . N . 33 . CA . 33 . C parsed_6btv 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 27 . N . 27 . CA . 27 . CB . 27 . CG parsed_6btv 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 28 . N . 28 . CA . 28 . CB . 28 . CG parsed_6btv 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 2 . N . 2 . CA . 2 . CB . 2 . SG parsed_6btv 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 6 . N . 6 . CA . 6 . CB . 6 . CG parsed_6btv 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 22 . N . 22 . CA . 22 . CB . 22 . SG parsed_6btv 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 30 . N . 30 . CA . 30 . CB . 30 . CG parsed_6btv 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 18 . N . 18 . CA . 18 . CB . 18 . CG parsed_6btv 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 "-83.1 24.9 2" 11 151 11 166 parsed_6btv 1
2 "-101.9 36.8 2" 14 150 14 166 parsed_6btv 1
3 "123.3 24.4 2" 19 150 19 165 parsed_6btv 1
4 "-62.0 20.0 2" 20 151 20 166 parsed_6btv 1
stop_
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1
;
# Restraints file 1: dihedrals.tbl
#Dihedral angles
;
1 1 2 16 parsed_6btv 1
stop_
save_
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