Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | item_count |
|
|
54598 | 3nla RC | 4199 | cing | recoord | 2-parsed | STAR | dihedral angle | 49 |
data_3nla_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_3nla
_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_3nla 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_3nla
_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 3nla "Master copy" parsed_3nla
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_3nla
_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 3nla.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_3nla 1
1 3nla.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_3nla 1
1 3nla.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 49 parsed_3nla 1
1 3nla.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_3nla 1
1 3nla.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 0 parsed_3nla 1
1 3nla.mr . . XPLOR/CNS 6 distance NOE simple 0 parsed_3nla 1
1 3nla.mr . . n/a 7 comment "Not applicable" "Not applicable" 0 parsed_3nla 1
1 3nla.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_3nla 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_3nla
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5.0 5.0 . . 28 . ca . 28 . c . 29 . n . 29 . ca parsed_3nla 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.0 -64.0 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_3nla 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.0 -48.0 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_3nla 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.0 -82.0 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_3nla 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.5 -54.5 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_3nla 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.0 -81.0 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_3nla 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.5 -40.5 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_3nla 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -114.0 -73.0 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_3nla 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101.5 -51.5 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_3nla 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.5 -59.5 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_3nla 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.0 -78.0 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_3nla 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -55.0 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_3nla 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.0 -89.0 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_3nla 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.5 -41.5 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_3nla 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.5 -57.5 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_3nla 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -124.0 -77.0 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_3nla 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -121.0 -77.0 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_3nla 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.5 -65.5 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_3nla 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -113.0 -72.0 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_3nla 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.5 -58.5 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_3nla 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -119.0 -75.0 . . 27 . C . 28 . N . 28 . CA . 28 . C parsed_3nla 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.5 -42.5 . . 29 . C . 30 . N . 30 . CA . 30 . C parsed_3nla 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.5 -36.5 . . 34 . C . 35 . N . 35 . CA . 35 . C parsed_3nla 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.5 -64.5 . . 35 . C . 36 . N . 36 . CA . 36 . C parsed_3nla 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -114.0 -73.0 . . 38 . C . 39 . N . 39 . CA . 39 . C parsed_3nla 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.0 -62.0 . . 39 . C . 40 . N . 40 . CA . 40 . C parsed_3nla 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.5 -36.5 . . 40 . C . 41 . N . 41 . CA . 41 . C parsed_3nla 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.5 -65.5 . . 42 . C . 43 . N . 43 . CA . 43 . C parsed_3nla 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -70.0 . . 43 . C . 44 . N . 44 . CA . 44 . C parsed_3nla 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -121.0 -76.0 . . 44 . C . 45 . N . 45 . CA . 45 . C parsed_3nla 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -111.0 -71.0 . . 45 . C . 46 . N . 46 . CA . 46 . C parsed_3nla 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.0 -46.0 . . 47 . C . 48 . N . 48 . CA . 48 . C parsed_3nla 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.0 -82.0 . . 48 . C . 49 . N . 49 . CA . 49 . C parsed_3nla 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.5 -56.5 . . 52 . C . 53 . N . 53 . CA . 53 . C parsed_3nla 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -45.0 . . 53 . C . 54 . N . 54 . CA . 54 . C parsed_3nla 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.0 -62.0 . . 54 . C . 55 . N . 55 . CA . 55 . C parsed_3nla 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -113.0 -72.0 . . 55 . C . 56 . N . 56 . CA . 56 . C parsed_3nla 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.5 -51.5 . . 57 . C . 58 . N . 58 . CA . 58 . C parsed_3nla 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -114.0 -73.0 . . 58 . C . 59 . N . 59 . CA . 59 . C parsed_3nla 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.0 -80.0 . . 59 . C . 60 . N . 60 . CA . 60 . C parsed_3nla 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.5 -40.5 . . 60 . C . 61 . N . 61 . CA . 61 . C parsed_3nla 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.5 -60.5 . . 61 . C . 62 . N . 62 . CA . 62 . C parsed_3nla 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.5 -44.5 . . 62 . C . 63 . N . 63 . CA . 63 . C parsed_3nla 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.5 -64.5 . . 63 . C . 64 . N . 64 . CA . 64 . C parsed_3nla 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.5 -59.5 . . 64 . C . 65 . N . 65 . CA . 65 . C parsed_3nla 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -107.5 -67.5 . . 66 . C . 67 . N . 67 . CA . 67 . C parsed_3nla 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -70.0 . . 67 . C . 68 . N . 68 . CA . 68 . C parsed_3nla 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.0 -64.0 . . 71 . C . 72 . N . 72 . CA . 72 . C parsed_3nla 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109.0 -69.0 . . 72 . C . 73 . N . 73 . CA . 73 . C parsed_3nla 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 "keep T28-P29 in cis conformation" 1 1 1 34 parsed_3nla 1
2 "Dihedral Constraints from 15N-HNHA" 5 1 5 36 parsed_3nla 1
stop_
save_