NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
597642 |
2n6b   |
25758 | cing | 2-parsed | STAR | dihedral angle | 66 |
data_2n6b_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2n6b
_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_2n6b 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2n6b
_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 2n6b "Master copy" parsed_2n6b
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2n6b
_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 2n6b.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2n6b 1
1 2n6b.mr . . XPLOR/CNS 2 distance NOE simple 265 parsed_2n6b 1
1 2n6b.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 66 parsed_2n6b 1
1 2n6b.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2n6b 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2n6b
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150 -50 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_2n6b 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -147 -67 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_2n6b 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83 -43 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_2n6b 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74 -34 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_2n6b 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85 -45 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_2n6b 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99 -59 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_2n6b 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105 -65 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_2n6b 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136 -76 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_2n6b 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83 -43 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_2n6b 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85 -45 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_2n6b 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83 -43 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_2n6b 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -50 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_2n6b 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85 -45 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_2n6b 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110 -70 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_2n6b 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130 -70 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_2n6b 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79 -39 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_2n6b 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83 -43 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_2n6b 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85 -45 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_2n6b 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_2n6b 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -50 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_2n6b 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105 -65 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_2n6b 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135 -65 . . 27 . C . 28 . N . 28 . CA . 28 . C parsed_2n6b 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78 -38 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_2n6b 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85 -45 . . 29 . C . 30 . N . 30 . CA . 30 . C parsed_2n6b 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82 -42 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_2n6b 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105 -65 . . 31 . C . 32 . N . 32 . CA . 32 . C parsed_2n6b 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . . 32 . C . 33 . N . 33 . CA . 33 . C parsed_2n6b 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 92 192 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_2n6b 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110 170 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_2n6b 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125 165 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_2n6b 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55 -15 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_2n6b 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54 6 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_2n6b 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -38 2 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_2n6b 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100 200 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_2n6b 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140 180 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_2n6b 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56 -16 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_2n6b 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61 -21 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_2n6b 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64 -24 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_2n6b 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35 5 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_2n6b 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50 -10 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_2n6b 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -31 29 . . 19 . N . 19 . CA . 19 . C . 20 . N parsed_2n6b 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 77 137 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_2n6b 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50 -10 . . 21 . N . 21 . CA . 21 . C . 22 . N parsed_2n6b 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60 -20 . . 22 . N . 22 . CA . 22 . C . 23 . N parsed_2n6b 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64 -24 . . 23 . N . 23 . CA . 23 . C . 24 . N parsed_2n6b 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60 -20 . . 24 . N . 24 . CA . 24 . C . 25 . N parsed_2n6b 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60 0 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_2n6b 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45 15 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_2n6b 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130 210 . . 28 . N . 28 . CA . 28 . C . 29 . N parsed_2n6b 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60 -20 . . 29 . N . 29 . CA . 29 . C . 30 . N parsed_2n6b 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60 -20 . . 30 . N . 30 . CA . 30 . C . 31 . N parsed_2n6b 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54 -14 . . 31 . N . 31 . CA . 31 . C . 32 . N parsed_2n6b 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -15 25 . . 32 . N . 32 . CA . 32 . C . 33 . N parsed_2n6b 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7 67 . . 33 . N . 33 . CA . 33 . C . 34 . N parsed_2n6b 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126 -66 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_2n6b 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52 8 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_2n6b 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -100 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_2n6b 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110 190 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_2n6b 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 4 . n . 4 . ca . 4 . cb . 4 . cg parsed_2n6b 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 5 . n . 5 . ca . 5 . cb . 5 . cg parsed_2n6b 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 9 . n . 9 . ca . 9 . cb . 9 . cg parsed_2n6b 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 10 . n . 10 . ca . 10 . cb . 10 . cg parsed_2n6b 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 15 . n . 15 . ca . 15 . cb . 15 . cg parsed_2n6b 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 21 . n . 21 . ca . 21 . cb . 21 . cg parsed_2n6b 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 23 . n . 23 . ca . 23 . cb . 23 . cg parsed_2n6b 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 24 . n . 24 . ca . 24 . cb . 24 . cg parsed_2n6b 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
;
!Dihedral constraints
phi
;
1 1 2 6 parsed_2n6b 1
2 psi 30 1 30 6 parsed_2n6b 1
3 chi 62 1 62 6 parsed_2n6b 1
stop_
save_
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