NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
608919 |
2nci   |
26024 | cing | 2-parsed | STAR | dihedral angle | 72 |
data_2nci_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2nci
_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_2nci 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2nci
_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 2nci "Master copy" parsed_2nci
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2nci
_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 2nci.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2nci 1
1 2nci.mr . . XPLOR/CNS 2 distance NOE simple 473 parsed_2nci 1
1 2nci.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 50 parsed_2nci 1
1 2nci.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 29 parsed_2nci 1
1 2nci.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 183 parsed_2nci 1
1 2nci.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 72 parsed_2nci 1
1 2nci.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2nci 1
stop_
save_
save_CNS/XPLOR_dihedral_6
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2nci
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 6
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -19 25 . . 14 . C4' . 14 . O4' . 14 . C1' . 14 . C2' parsed_2nci 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -19 25 . . 15 . C4' . 15 . O4' . 15 . C1' . 15 . C2' parsed_2nci 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -43 1 . . 16 . C4' . 16 . O4' . 16 . C1' . 16 . C2' parsed_2nci 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -43 1 . . 17 . C4' . 17 . O4' . 17 . C1' . 17 . C2' parsed_2nci 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -19 25 . . 18 . C4' . 18 . O4' . 18 . C1' . 18 . C2' parsed_2nci 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -19 25 . . 19 . C4' . 19 . O4' . 19 . C1' . 19 . C2' parsed_2nci 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45 -5 . . 14 . O4' . 14 . C1' . 14 . C2' . 14 . C3' parsed_2nci 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45 -5 . . 15 . O4' . 15 . C1' . 15 . C2' . 15 . C3' parsed_2nci 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19 51 . . 16 . O4' . 16 . C1' . 16 . C2' . 16 . C3' parsed_2nci 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19 51 . . 17 . O4' . 17 . C1' . 17 . C2' . 17 . C3' parsed_2nci 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45 -5 . . 18 . O4' . 18 . C1' . 18 . C2' . 18 . C3' parsed_2nci 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45 -5 . . 19 . O4' . 19 . C1' . 19 . C2' . 19 . C3' parsed_2nci 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 22 50 . . 14 . C1' . 14 . C2' . 14 . C3' . 14 . C4' parsed_2nci 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 22 50 . . 15 . C1' . 15 . C2' . 15 . C3' . 15 . C4' parsed_2nci 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50 -20 . . 16 . C1' . 16 . C2' . 16 . C3' . 16 . C4' parsed_2nci 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50 -20 . . 17 . C1' . 17 . C2' . 17 . C3' . 17 . C4' parsed_2nci 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 22 50 . . 18 . C1' . 18 . C2' . 18 . C3' . 18 . C4' parsed_2nci 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 22 50 . . 19 . C1' . 19 . C2' . 19 . C3' . 19 . C4' parsed_2nci 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50 -20 . . 14 . C2' . 14 . C3' . 14 . C4' . 14 . O4' parsed_2nci 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50 -20 . . 15 . C2' . 15 . C3' . 15 . C4' . 15 . O4' parsed_2nci 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 47 . . 16 . C2' . 16 . C3' . 16 . C4' . 16 . O4' parsed_2nci 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 47 . . 17 . C2' . 17 . C3' . 17 . C4' . 17 . O4' parsed_2nci 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50 -20 . . 18 . C2' . 18 . C3' . 18 . C4' . 18 . O4' parsed_2nci 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50 -20 . . 19 . C2' . 19 . C3' . 19 . C4' . 19 . O4' parsed_2nci 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -3 43 . . 14 . C3' . 14 . C4' . 14 . O4' . 14 . C1' parsed_2nci 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -3 43 . . 15 . C3' . 15 . C4' . 15 . O4' . 15 . C1' parsed_2nci 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -27 23 . . 16 . C3' . 16 . C4' . 16 . O4' . 16 . C1' parsed_2nci 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -27 23 . . 17 . C3' . 17 . C4' . 17 . O4' . 17 . C1' parsed_2nci 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -3 43 . . 18 . C3' . 18 . C4' . 18 . O4' . 18 . C1' parsed_2nci 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -3 43 . . 19 . C3' . 19 . C4' . 19 . O4' . 19 . C1' parsed_2nci 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.4 109.4 . . 14 . H1' . 14 . C1' . 14 . C2' . 14 . H2' parsed_2nci 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96.7 116.7 . . 15 . H1' . 15 . C1' . 15 . C2' . 15 . H2' parsed_2nci 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.1 175.1 . . 16 . H1' . 16 . C1' . 16 . C2' . 16 . H2' parsed_2nci 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 17 . H1' . 17 . C1' . 17 . C2' . 17 . H2' parsed_2nci 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 75.0 105.0 . . 18 . H1' . 18 . C1' . 18 . C2' . 18 . H2' parsed_2nci 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -167.4 -147.4 . . 15 . H3' . 15 . C3' . 15 . C4' . 15 . H4' parsed_2nci 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -119.2 -99.2 . . 16 . H3' . 16 . C3' . 16 . C4' . 16 . H4' parsed_2nci 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -113.9 -83.9 . . 17 . H3' . 17 . C3' . 17 . C4' . 17 . H4' parsed_2nci 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -162.9 -142.9 . . 18 . H3' . 18 . C3' . 18 . C4' . 18 . H4' parsed_2nci 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -171.2 -151.2 . . 14 . O4' . 14 . C1' . 14 . N1 . 14 . C2 parsed_2nci 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -173.8 -143.8 . . 15 . O4' . 15 . C1' . 15 . N1 . 15 . C2 parsed_2nci 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151.4 -121.4 . . 16 . O4' . 16 . C1' . 16 . N1 . 16 . C2 parsed_2nci 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.4 -118.4 . . 17 . O4' . 17 . C1' . 17 . N1 . 17 . C2 parsed_2nci 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 39.0 79.0 . . 18 . O4' . 18 . C1' . 18 . N9 . 18 . C4 parsed_2nci 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -200.0 -160.0 . . 19 . O4' . 19 . C1' . 19 . N9 . 19 . C4 parsed_2nci 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 161 191 . . 14 . P . 14 . O5' . 14 . C5' . 14 . C4' parsed_2nci 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 151 201 . . 15 . P . 15 . O5' . 15 . C5' . 15 . C4' parsed_2nci 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120 240 . . 16 . P . 16 . O5' . 16 . C5' . 16 . C4' parsed_2nci 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 159 209 . . 17 . P . 17 . O5' . 17 . C5' . 17 . C4' parsed_2nci 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155 -125 . . 14 . C4' . 14 . C3' . 14 . O3' . 15 . P parsed_2nci 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -168 -138 . . 15 . C4' . 15 . C3' . 15 . O3' . 16 . P parsed_2nci 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 240 360 . . 16 . C4' . 16 . C3' . 16 . O3' . 17 . P parsed_2nci 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155 275 . . 17 . C4' . 17 . C3' . 17 . O3' . 18 . P parsed_2nci 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -188 -108 . . 18 . C4' . 18 . C3' . 18 . O3' . 19 . P parsed_2nci 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -206 -126 . . 19 . C4' . 19 . C3' . 19 . O3' . 20 . P parsed_2nci 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110 -60 . . 14 . O3' . 15 . P . 15 . O5' . 15 . C5' parsed_2nci 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 126 226 . . 15 . O3' . 16 . P . 16 . O5' . 16 . C5' parsed_2nci 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104 -44 . . 16 . O3' . 17 . P . 17 . O5' . 17 . C5' parsed_2nci 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 26 126 . . 17 . O3' . 18 . P . 18 . O5' . 18 . C5' parsed_2nci 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -119 -69 . . 18 . O3' . 19 . P . 19 . O5' . 19 . C5' parsed_2nci 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110 -60 . . 19 . O3' . 20 . P . 20 . O5' . 20 . C5' parsed_2nci 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96 -36 . . 14 . C3' . 14 . O3' . 15 . P . 15 . O5' parsed_2nci 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130 -70 . . 15 . C3' . 15 . O3' . 16 . P . 16 . O5' parsed_2nci 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78 -18 . . 16 . C3' . 16 . O3' . 17 . P . 17 . O5' parsed_2nci 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40 160 . . 17 . C3' . 17 . O3' . 18 . P . 18 . O5' parsed_2nci 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76 -16 . . 18 . C3' . 18 . O3' . 19 . P . 19 . O5' parsed_2nci 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105 -45 . . 19 . C3' . 19 . O3' . 20 . P . 20 . O5' parsed_2nci 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . . 14 . O5' . 14 . C5' . 14 . C4' . 14 . C3' parsed_2nci 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . . 15 . O5' . 15 . C5' . 15 . C4' . 15 . C3' parsed_2nci 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . . 16 . O5' . 16 . C5' . 16 . C4' . 16 . C3' parsed_2nci 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . . 17 . O5' . 17 . C5' . 17 . C4' . 17 . C3' parsed_2nci 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . . 18 . O5' . 18 . C5' . 18 . C4' . 18 . C3' parsed_2nci 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 restraints for UUCG loop from 2KOC *" 1 1 1 1 parsed_2nci 1
2 nu0 3 1 3 8 parsed_2nci 1
3 nu1 11 1 11 8 parsed_2nci 1
4 nu2 19 1 19 8 parsed_2nci 1
5 nu3 27 1 27 8 parsed_2nci 1
6 nu4 35 1 35 8 parsed_2nci 1
7 phi12 43 1 43 9 parsed_2nci 1
8 phi34 50 1 50 9 parsed_2nci 1
9 chi 56 1 56 7 parsed_2nci 1
10 beta 64 1 64 8 parsed_2nci 1
11 epsilon 70 1 70 11 parsed_2nci 1
12 alpha 78 1 78 9 parsed_2nci 1
13 zeta 86 1 86 8 parsed_2nci 1
14 gamma 94 1 94 9 parsed_2nci 1
stop_
save_
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