NMR Restraints Grid
| |
NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
616327 |
5lo2   |
34031 | cing | 2-parsed | STAR | dihedral angle | 43 |
data_5lo2_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5lo2
_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_5lo2 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5lo2
_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 5lo2 "Master copy" parsed_5lo2
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5lo2
_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 5lo2.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5lo2 1
1 5lo2.mr . . XPLOR/CNS 2 distance NOE ambi 459 parsed_5lo2 1
1 5lo2.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 43 parsed_5lo2 1
1 5lo2.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5lo2 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_5lo2
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.00 -32.56 . " A" 3 . C " A" 4 . N " A" 4 . CA " A" 4 . C parsed_5lo2 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 190.02 . " A" 4 . N " A" 4 . CA " A" 4 . C " A" 5 . N parsed_5lo2 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -30.50 . " A" 5 . C " A" 6 . N " A" 6 . CA " A" 6 . C parsed_5lo2 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.00 0.04 . " A" 6 . N " A" 6 . CA " A" 6 . C " A" 7 . N parsed_5lo2 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -47.48 . " A" 6 . C " A" 7 . N " A" 7 . CA " A" 7 . C parsed_5lo2 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 201.82 . " A" 7 . N " A" 7 . CA " A" 7 . C " A" 8 . N parsed_5lo2 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -21.20 . " A" 7 . C " A" 8 . N " A" 8 . CA " A" 8 . C parsed_5lo2 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -23.50 . " A" 14 . C " A" 15 . N " A" 15 . CA " A" 15 . C parsed_5lo2 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -0.46 . " A" 15 . N " A" 15 . CA " A" 15 . C " A" 16 . N parsed_5lo2 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -42.22 . " A" 15 . C " A" 16 . N " A" 16 . CA " A" 16 . C parsed_5lo2 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 0.50 . " A" 16 . N " A" 16 . CA " A" 16 . C " A" 17 . N parsed_5lo2 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -38.40 . " A" 16 . C " A" 17 . N " A" 17 . CA " A" 17 . C parsed_5lo2 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -1.36 . " A" 17 . N " A" 17 . CA " A" 17 . C " A" 18 . N parsed_5lo2 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -38.38 . " A" 17 . C " A" 18 . N " A" 18 . CA " A" 18 . C parsed_5lo2 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -12.68 . " A" 18 . N " A" 18 . CA " A" 18 . C " A" 19 . N parsed_5lo2 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -49.90 . " A" 18 . C " A" 19 . N " A" 19 . CA " A" 19 . C parsed_5lo2 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -19.78 . " A" 19 . N " A" 19 . CA " A" 19 . C " A" 20 . N parsed_5lo2 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -41.94 . " A" 19 . C " A" 20 . N " A" 20 . CA " A" 20 . C parsed_5lo2 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -23.80 . " A" 20 . N " A" 20 . CA " A" 20 . C " A" 21 . N parsed_5lo2 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -43.26 . " A" 20 . C " A" 21 . N " A" 21 . CA " A" 21 . C parsed_5lo2 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -17.78 . " A" 21 . N " A" 21 . CA " A" 21 . C " A" 22 . N parsed_5lo2 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.96 . " A" 21 . C " A" 22 . N " A" 22 . CA " A" 22 . C parsed_5lo2 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -12.60 . " A" 22 . N " A" 22 . CA " A" 22 . C " A" 23 . N parsed_5lo2 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.70 . " A" 22 . C " A" 23 . N " A" 23 . CA " A" 23 . C parsed_5lo2 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -16.94 . " A" 23 . N " A" 23 . CA " A" 23 . C " A" 24 . N parsed_5lo2 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.32 . " A" 23 . C " A" 24 . N " A" 24 . CA " A" 24 . C parsed_5lo2 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -11.48 . " A" 24 . N " A" 24 . CA " A" 24 . C " A" 25 . N parsed_5lo2 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -38.76 . " A" 24 . C " A" 25 . N " A" 25 . CA " A" 25 . C parsed_5lo2 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -17.62 . " A" 25 . N " A" 25 . CA " A" 25 . C " A" 26 . N parsed_5lo2 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -49.92 . " A" 25 . C " A" 26 . N " A" 26 . CA " A" 26 . C parsed_5lo2 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -19.82 . " A" 26 . N " A" 26 . CA " A" 26 . C " A" 27 . N parsed_5lo2 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -48.12 . " A" 26 . C " A" 27 . N " A" 27 . CA " A" 27 . C parsed_5lo2 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -20.04 . " A" 27 . N " A" 27 . CA " A" 27 . C " A" 28 . N parsed_5lo2 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -30.44 . " A" 27 . C " A" 28 . N " A" 28 . CA " A" 28 . C parsed_5lo2 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -29.48 . " A" 28 . N " A" 28 . CA " A" 28 . C " A" 29 . N parsed_5lo2 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.18 . " A" 28 . C " A" 29 . N " A" 29 . CA " A" 29 . C parsed_5lo2 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -14.30 . " A" 29 . N " A" 29 . CA " A" 29 . C " A" 30 . N parsed_5lo2 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.94 . " A" 29 . C " A" 30 . N " A" 30 . CA " A" 30 . C parsed_5lo2 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -20.66 . " A" 30 . N " A" 30 . CA " A" 30 . C " A" 31 . N parsed_5lo2 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.94 . " A" 30 . C " A" 31 . N " A" 31 . CA " A" 31 . C parsed_5lo2 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -19.60 . " A" 31 . N " A" 31 . CA " A" 31 . C " A" 32 . N parsed_5lo2 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.36 . " A" 31 . C " A" 32 . N " A" 32 . CA " A" 32 . C parsed_5lo2 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -13.10 . " A" 32 . N " A" 32 . CA " A" 32 . C " A" 33 . N parsed_5lo2 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
;
ASSIGN (segid " A" and resid 8 and name N ) (segid " A" and resid 8 and name CA )
(segid " A" and resid 8 and name C ) (segid " A" and resid 9 and name N ) 1.00 -33.62 16.38 2
ASSIGN (segid " A" and resid 8 and name C ) (segid " A" and resid 9 and name N )
(segid " A" and resid 9 and name CA ) (segid " A" and resid 9 and name C ) 1.00 -64.87 35.13 2
ASSIGN (segid " A" and resid 9 and name N ) (segid " A" and resid 9 and name CA )
(segid " A" and resid 9 and name C ) (segid " A" and resid 10 and name N ) 1.00 -40.44 29.56 2
ASSIGN (segid " A" and resid 9 and name C ) (segid " A" and resid 10 and name N )
(segid " A" and resid 10 and name CA ) (segid " A" and resid 10 and name C ) 1.00 -56.28 23.72 2
ASSIGN (segid " A" and resid 10 and name N ) (segid " A" and resid 10 and name CA )
(segid " A" and resid 10 and name C ) (segid " A" and resid 11 and name N ) 1.00 -42.05 27.95 2
ASSIGN (segid " A" and resid 10 and name C ) (segid " A" and resid 11 and name N )
(segid " A" and resid 11 and name CA ) (segid " A" and resid 11 and name C ) 1.00 -64.59 15.41 2
ASSIGN (segid " A" and resid 11 and name N ) (segid " A" and resid 11 and name CA )
(segid " A" and resid 11 and name C ) (segid " A" and resid 12 and name N ) 1.00 -25.40 34.60 2
ASSIGN (segid " A" and resid 11 and name C ) (segid " A" and resid 12 and name N )
(segid " A" and resid 12 and name CA ) (segid " A" and resid 12 and name C ) 1.00 -85.07 34.93 2
ASSIGN (segid " A" and resid 12 and name N ) (segid " A" and resid 12 and name CA )
(segid " A" and resid 12 and name C ) (segid " A" and resid 13 and name N ) 1.00 -5.24 34.76 2
;
23 1 48 119 parsed_5lo2 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: PATyr_diheds_040716.tbl" 1 1 1 44 parsed_5lo2 1
stop_
save_
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