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 |
|
|
467366 |
2kw9   |
16816 | cing | 2-parsed | STAR | dihedral angle | 48 |
data_2kw9_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2kw9
_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_2kw9 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2kw9
_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 2kw9 "Master copy" parsed_2kw9
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2kw9
_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 2kw9.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kw9 1
1 2kw9.mr . . XPLOR/CNS 2 distance NOE simple 1698 parsed_2kw9 1
1 2kw9.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 48 parsed_2kw9 1
1 2kw9.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kw9 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2kw9
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.50 -38.50 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_2kw9 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.10 -22.10 . . 31 . N . 31 . CA . 31 . C . 32 . N parsed_2kw9 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.80 -44.80 . . 31 . C . 32 . N . 32 . CA . 32 . C parsed_2kw9 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.90 -18.10 . . 32 . N . 32 . CA . 32 . C . 33 . N parsed_2kw9 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.50 -48.50 . . 32 . C . 33 . N . 33 . CA . 33 . C parsed_2kw9 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.30 -19.30 . . 33 . N . 33 . CA . 33 . C . 34 . N parsed_2kw9 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.00 -42.00 . . 33 . C . 34 . N . 34 . CA . 34 . C parsed_2kw9 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.40 -26.40 . . 34 . N . 34 . CA . 34 . C . 35 . N parsed_2kw9 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.90 -41.90 . . 34 . C . 35 . N . 35 . CA . 35 . C parsed_2kw9 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.30 -22.30 . . 35 . N . 35 . CA . 35 . C . 36 . N parsed_2kw9 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.70 -47.70 . . 35 . C . 36 . N . 36 . CA . 36 . C parsed_2kw9 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.20 -22.20 . . 36 . N . 36 . CA . 36 . C . 37 . N parsed_2kw9 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.50 -43.50 . . 36 . C . 37 . N . 37 . CA . 37 . C parsed_2kw9 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.50 -21.50 . . 37 . N . 37 . CA . 37 . C . 38 . N parsed_2kw9 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.90 -45.90 . . 37 . C . 38 . N . 38 . CA . 38 . C parsed_2kw9 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.90 -19.80 . . 38 . N . 38 . CA . 38 . C . 39 . N parsed_2kw9 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.20 -43.20 . . 38 . C . 39 . N . 39 . CA . 39 . C parsed_2kw9 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.20 -18.20 . . 39 . N . 39 . CA . 39 . C . 40 . N parsed_2kw9 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.00 -46.00 . . 39 . C . 40 . N . 40 . CA . 40 . C parsed_2kw9 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.40 -10.40 . . 40 . N . 40 . CA . 40 . C . 41 . N parsed_2kw9 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.60 -36.60 . . 48 . C . 49 . N . 49 . CA . 49 . C parsed_2kw9 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.20 -21.20 . . 49 . N . 49 . CA . 49 . C . 50 . N parsed_2kw9 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.90 -42.90 . . 49 . C . 50 . N . 50 . CA . 50 . C parsed_2kw9 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.70 -18.70 . . 50 . N . 50 . CA . 50 . C . 51 . N parsed_2kw9 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.20 -46.20 . . 50 . C . 51 . N . 51 . CA . 51 . C parsed_2kw9 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.90 -21.90 . . 51 . N . 51 . CA . 51 . C . 52 . N parsed_2kw9 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.00 -43.00 . . 51 . C . 52 . N . 52 . CA . 52 . C parsed_2kw9 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.30 -19.30 . . 52 . N . 52 . CA . 52 . C . 53 . N parsed_2kw9 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.50 -43.50 . . 52 . C . 53 . N . 53 . CA . 53 . C parsed_2kw9 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.20 -25.20 . . 53 . N . 53 . CA . 53 . C . 54 . N parsed_2kw9 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.30 -42.30 . . 53 . C . 54 . N . 54 . CA . 54 . C parsed_2kw9 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.30 -21.30 . . 54 . N . 54 . CA . 54 . C . 55 . N parsed_2kw9 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.60 -42.60 . . 54 . C . 55 . N . 55 . CA . 55 . C parsed_2kw9 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.50 -23.50 . . 55 . N . 55 . CA . 55 . C . 56 . N parsed_2kw9 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.60 -42.60 . . 55 . C . 56 . N . 56 . CA . 56 . C parsed_2kw9 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.30 -21.30 . . 56 . N . 56 . CA . 56 . C . 57 . N parsed_2kw9 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.90 -38.90 . . 56 . C . 57 . N . 57 . CA . 57 . C parsed_2kw9 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.40 -16.50 . . 57 . N . 57 . CA . 57 . C . 58 . N parsed_2kw9 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.10 -40.10 . . 57 . C . 58 . N . 58 . CA . 58 . C parsed_2kw9 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.00 -19.00 . . 58 . N . 58 . CA . 58 . C . 59 . N parsed_2kw9 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.50 -47.50 . . 58 . C . 59 . N . 59 . CA . 59 . C parsed_2kw9 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.40 -17.20 . . 59 . N . 59 . CA . 59 . C . 60 . N parsed_2kw9 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.00 -45.00 . . 59 . C . 60 . N . 60 . CA . 60 . C parsed_2kw9 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.60 -12.70 . . 60 . N . 60 . CA . 60 . C . 61 . N parsed_2kw9 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.50 -46.50 . . 60 . C . 61 . N . 61 . CA . 61 . C parsed_2kw9 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.40 -16.40 . . 61 . N . 61 . CA . 61 . C . 62 . N parsed_2kw9 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -127.00 -53.70 . . 61 . C . 62 . N . 62 . CA . 62 . C parsed_2kw9 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.10 35.90 . . 62 . N . 62 . CA . 62 . C . 63 . N parsed_2kw9 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
;
ACO file produced by PDBStat
Version: 5.1-Exp Compiled 2008-08-11 on (europa)
;
1 1 4 2 parsed_2kw9 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 dihedral 5 2 5 9 parsed_2kw9 1
2 end 102 2 102 4 parsed_2kw9 1
stop_
save_
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