NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
550103 |
2lua   |
18514 | cing | 2-parsed | STAR | dihedral angle | 56 |
data_2lua_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2lua
_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_2lua 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2lua
_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 2lua "Master copy" parsed_2lua
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2lua
_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 2lua.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2lua 1
1 2lua.mr . . XPLOR/CNS 2 distance NOE ambi 1322 parsed_2lua 1
1 2lua.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 56 parsed_2lua 1
1 2lua.mr . . unknown 4 unknown "Not applicable" "Not applicable" 0 parsed_2lua 1
1 2lua.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2lua 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2lua
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.6 -42.4 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_2lua 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.4 167.4 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_2lua 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -132.3 -48.9 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_2lua 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 83.4 180.0 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_2lua 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.7 -49.7 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_2lua 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.8 174.6 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_2lua 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151.1 -79.5 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_2lua 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 80.0 152.0 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_2lua 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -111.3 -49.9 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_2lua 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.9 10.7 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_2lua 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.1 -41.1 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_2lua 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.2 0.6 . . 24 . N . 24 . CA . 24 . C . 25 . N parsed_2lua 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -123.0 -53.4 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_2lua 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.4 21.6 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_2lua 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.0 -39.0 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_2lua 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.2 -24.2 . . 27 . N . 27 . CA . 27 . C . 28 . N parsed_2lua 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.7 -45.7 . . 27 . C . 28 . N . 28 . CA . 28 . C parsed_2lua 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.4 -6.4 . . 28 . N . 28 . CA . 28 . C . 29 . N parsed_2lua 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -128.7 -75.3 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_2lua 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -32.6 29.4 . . 29 . N . 29 . CA . 29 . C . 30 . N parsed_2lua 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169.3 -36.5 . . 29 . C . 30 . N . 30 . CA . 30 . C parsed_2lua 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 137.4 181.6 . . 30 . N . 30 . CA . 30 . C . 31 . N parsed_2lua 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.5 -35.3 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_2lua 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.1 -1.5 . . 31 . N . 31 . CA . 31 . C . 32 . N parsed_2lua 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109.5 -69.5 . . 31 . C . 32 . N . 32 . CA . 32 . C parsed_2lua 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -25.9 14.1 . . 32 . N . 32 . CA . 32 . C . 33 . N parsed_2lua 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.2 -41.4 . . 34 . C . 35 . N . 35 . CA . 35 . C parsed_2lua 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.9 -5.1 . . 35 . N . 35 . CA . 35 . C . 36 . N parsed_2lua 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.4 -28.2 . . 35 . C . 36 . N . 36 . CA . 36 . C parsed_2lua 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.6 -26.6 . . 36 . N . 36 . CA . 36 . C . 37 . N parsed_2lua 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.5 -47.5 . . 36 . C . 37 . N . 37 . CA . 37 . C parsed_2lua 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.7 -6.9 . . 37 . N . 37 . CA . 37 . C . 38 . N parsed_2lua 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 37.3 77.3 . . 38 . C . 39 . N . 39 . CA . 39 . C parsed_2lua 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 12.5 62.9 . . 39 . N . 39 . CA . 39 . C . 40 . N parsed_2lua 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159.1 -71.5 . . 39 . C . 40 . N . 40 . CA . 40 . C parsed_2lua 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.5 180.9 . . 40 . N . 40 . CA . 40 . C . 41 . N parsed_2lua 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -127.3 -57.7 . . 40 . C . 41 . N . 41 . CA . 41 . C parsed_2lua 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 142.9 189.1 . . 41 . N . 41 . CA . 41 . C . 42 . N parsed_2lua 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 67.1 107.1 . . 43 . C . 44 . N . 44 . CA . 44 . C parsed_2lua 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -26.7 13.3 . . 44 . N . 44 . CA . 44 . C . 45 . N parsed_2lua 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -119.5 -63.1 . . 45 . C . 46 . N . 46 . CA . 46 . C parsed_2lua 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.2 44.2 . . 46 . N . 46 . CA . 46 . C . 47 . N parsed_2lua 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.5 -62.1 . . 47 . C . 48 . N . 48 . CA . 48 . C parsed_2lua 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.5 163.9 . . 48 . N . 48 . CA . 48 . C . 49 . N parsed_2lua 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -132.0 -20.8 . . 49 . C . 50 . N . 50 . CA . 50 . C parsed_2lua 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.3 160.3 . . 50 . N . 50 . CA . 50 . C . 51 . N parsed_2lua 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.6 -78.2 . . 50 . C . 51 . N . 51 . CA . 51 . C parsed_2lua 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96.5 144.9 . . 51 . N . 51 . CA . 51 . C . 52 . N parsed_2lua 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109.3 -31.7 . . 51 . C . 52 . N . 52 . CA . 52 . C parsed_2lua 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99.7 144.5 . . 52 . N . 52 . CA . 52 . C . 53 . N parsed_2lua 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -132.9 -62.5 . . 53 . C . 54 . N . 54 . CA . 54 . C parsed_2lua 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 80.7 158.5 . . 54 . N . 54 . CA . 54 . C . 55 . N parsed_2lua 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.8 -44.6 . . 55 . C . 56 . N . 56 . CA . 56 . C parsed_2lua 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 85.4 179.2 . . 56 . N . 56 . CA . 56 . C . 57 . N parsed_2lua 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.7 -44.5 . . 57 . C . 58 . N . 58 . CA . 58 . C parsed_2lua 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 71.4 172.2 . . 58 . N . 58 . CA . 58 . C . 59 . N parsed_2lua 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 (resid 16 and name C ) (resid 17 and name N )
(resid 17 and name CA ) (resid 17 and name C ) 1.0 -87.5 46.7 2
assign (resid 17 and name N ) (resid 17 and name CA )
(resid 17 and name C ) (resid 18 and name N ) 1.0 -20.2 51.8 2
;
17 1 20 87 parsed_2lua 1
stop_
save_
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