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 |
|
|
644225 |
6qbk   |
34345 | cing | 2-parsed | STAR | dihedral angle | 56 |
data_6qbk_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6qbk
_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_6qbk 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6qbk
_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 6qbk "Master copy" parsed_6qbk
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6qbk
_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 6qbk.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6qbk 1
1 6qbk.mr . . XPLOR/CNS 2 distance "hydrogen bond" simple 26 parsed_6qbk 1
1 6qbk.mr . . XPLOR/CNS 3 distance "general distance" simple 0 parsed_6qbk 1
1 6qbk.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 56 parsed_6qbk 1
1 6qbk.mr . . XPLOR/CNS 5 distance NOE ambi 0 parsed_6qbk 1
1 6qbk.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6qbk 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6qbk
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 4
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -79.94 . " A" 2 . C " A" 3 . N " A" 3 . CA " A" 3 . C parsed_6qbk 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 152.88 . " A" 3 . N " A" 3 . CA " A" 3 . C " A" 4 . N parsed_6qbk 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.00 -76.80 . " A" 3 . C " A" 4 . N " A" 4 . CA " A" 4 . C parsed_6qbk 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 155.66 . " A" 4 . N " A" 4 . CA " A" 4 . C " A" 5 . N parsed_6qbk 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -86.78 . " A" 4 . C " A" 5 . N " A" 5 . CA " A" 5 . C parsed_6qbk 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 166.94 . " A" 5 . N " A" 5 . CA " A" 5 . C " A" 6 . N parsed_6qbk 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.00 -63.64 . " A" 5 . C " A" 6 . N " A" 6 . CA " A" 6 . C parsed_6qbk 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 155.42 . " A" 6 . N " A" 6 . CA " A" 6 . C " A" 7 . N parsed_6qbk 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.00 -89.18 . " A" 6 . C " A" 7 . N " A" 7 . CA " A" 7 . C parsed_6qbk 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 172.06 . " A" 7 . N " A" 7 . CA " A" 7 . C " A" 8 . N parsed_6qbk 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.00 2.38 . " A" 7 . C " A" 8 . N " A" 8 . CA " A" 8 . C parsed_6qbk 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 168.28 . " A" 8 . N " A" 8 . CA " A" 8 . C " A" 9 . N parsed_6qbk 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 -1.84 . " A" 9 . C " A" 10 . N " A" 10 . CA " A" 10 . C parsed_6qbk 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 182.08 . " A" 10 . N " A" 10 . CA " A" 10 . C " A" 11 . N parsed_6qbk 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -106.90 . " A" 10 . C " A" 11 . N " A" 11 . CA " A" 11 . C parsed_6qbk 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.00 197.74 . " A" 11 . N " A" 11 . CA " A" 11 . C " A" 12 . N parsed_6qbk 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.00 -9.26 . " A" 11 . C " A" 12 . N " A" 12 . CA " A" 12 . C parsed_6qbk 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 171.04 . " A" 12 . N " A" 12 . CA " A" 12 . C " A" 13 . N parsed_6qbk 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -92.76 . " A" 13 . C " A" 14 . N " A" 14 . CA " A" 14 . C parsed_6qbk 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.00 180.88 . " A" 14 . N " A" 14 . CA " A" 14 . C " A" 15 . N parsed_6qbk 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 -52.52 . " A" 17 . C " A" 18 . N " A" 18 . CA " A" 18 . C parsed_6qbk 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.00 29.90 . " A" 18 . N " A" 18 . CA " A" 18 . C " A" 19 . N parsed_6qbk 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 26.54 . " A" 18 . C " A" 19 . N " A" 19 . CA " A" 19 . C parsed_6qbk 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 202.42 . " A" 19 . N " A" 19 . CA " A" 19 . C " A" 20 . N parsed_6qbk 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 -33.82 . " A" 19 . C " A" 20 . N " A" 20 . CA " A" 20 . C parsed_6qbk 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 179.20 . " A" 20 . N " A" 20 . CA " A" 20 . C " A" 21 . N parsed_6qbk 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -62.50 . " A" 20 . C " A" 21 . N " A" 21 . CA " A" 21 . C parsed_6qbk 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 185.04 . " A" 21 . N " A" 21 . CA " A" 21 . C " A" 22 . N parsed_6qbk 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -96.14 . " A" 21 . C " A" 22 . N " A" 22 . CA " A" 22 . C parsed_6qbk 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 194.26 . " A" 22 . N " A" 22 . CA " A" 22 . C " A" 23 . N parsed_6qbk 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.00 -35.90 . " A" 22 . C " A" 23 . N " A" 23 . CA " A" 23 . C parsed_6qbk 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.00 188.70 . " A" 23 . N " A" 23 . CA " A" 23 . C " A" 24 . N parsed_6qbk 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 -90.72 . " A" 23 . C " A" 24 . N " A" 24 . CA " A" 24 . C parsed_6qbk 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 202.28 . " A" 24 . N " A" 24 . CA " A" 24 . C " A" 25 . N parsed_6qbk 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.00 -28.58 . " A" 24 . C " A" 25 . N " A" 25 . CA " A" 25 . C parsed_6qbk 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.00 23.36 . " A" 25 . N " A" 25 . CA " A" 25 . C " A" 26 . N parsed_6qbk 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 -48.42 . " A" 25 . C " A" 26 . N " A" 26 . CA " A" 26 . C parsed_6qbk 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.00 19.92 . " A" 26 . N " A" 26 . CA " A" 26 . C " A" 27 . N parsed_6qbk 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 -40.64 . " A" 27 . C " A" 28 . N " A" 28 . CA " A" 28 . C parsed_6qbk 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 163.64 . " A" 28 . N " A" 28 . CA " A" 28 . C " A" 29 . N parsed_6qbk 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.00 -80.32 . " A" 28 . C " A" 29 . N " A" 29 . CA " A" 29 . C parsed_6qbk 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 179.34 . " A" 29 . N " A" 29 . CA " A" 29 . C " A" 30 . N parsed_6qbk 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.00 -75.12 . " A" 29 . C " A" 30 . N " A" 30 . CA " A" 30 . C parsed_6qbk 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 176.76 . " A" 30 . N " A" 30 . CA " A" 30 . C " A" 31 . N parsed_6qbk 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.00 -66.90 . " A" 30 . C " A" 31 . N " A" 31 . CA " A" 31 . C parsed_6qbk 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 158.84 . " A" 31 . N " A" 31 . CA " A" 31 . C " A" 32 . N parsed_6qbk 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -83.18 . " A" 31 . C " A" 32 . N " A" 32 . CA " A" 32 . C parsed_6qbk 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 166.50 . " A" 32 . N " A" 32 . CA " A" 32 . C " A" 33 . N parsed_6qbk 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -12.10 . " A" 35 . C " A" 36 . N " A" 36 . CA " A" 36 . C parsed_6qbk 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.00 162.34 . " A" 36 . N " A" 36 . CA " A" 36 . C " A" 37 . N parsed_6qbk 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 -34.88 . " A" 36 . C " A" 37 . N " A" 37 . CA " A" 37 . C parsed_6qbk 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.00 10.88 . " A" 37 . N " A" 37 . CA " A" 37 . C " A" 38 . N parsed_6qbk 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.00 -25.12 . " A" 42 . C " A" 43 . N " A" 43 . CA " A" 43 . C parsed_6qbk 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 17.80 . " A" 43 . N " A" 43 . CA " A" 43 . C " A" 44 . N parsed_6qbk 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 3.60 . " A" 45 . C " A" 46 . N " A" 46 . CA " A" 46 . C parsed_6qbk 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50.00 242.06 . " A" 46 . N " A" 46 . CA " A" 46 . C " A" 47 . N parsed_6qbk 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 3: dihedral.tbl" 1 1 1 33 parsed_6qbk 1
stop_
save_
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