NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
473170 |
2i8f   |
7296 | cing | 2-parsed | STAR | dihedral angle | 64 |
data_2i8f_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2i8f
_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_2i8f 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2i8f
_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 2i8f "Master copy" parsed_2i8f
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2i8f
_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 2i8f.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2i8f 1
1 2i8f.mr . . XPLOR/CNS 2 distance "hydrogen bond" simple 30 parsed_2i8f 1
1 2i8f.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 64 parsed_2i8f 1
1 2i8f.mr . . XPLOR/CNS 4 distance NOE ambi 0 parsed_2i8f 1
1 2i8f.mr . . ARIA 5 peak "Not applicable" "Not applicable" 0 parsed_2i8f 1
1 2i8f.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2i8f 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2i8f
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.00 -80.00 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_2i8f 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.00 -80.00 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_2i8f 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.00 -80.00 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_2i8f 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.00 -80.00 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_2i8f 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.00 -80.00 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_2i8f 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.00 -80.00 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_2i8f 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.00 -80.00 . . 55 . C . 56 . N . 56 . CA . 56 . C parsed_2i8f 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.00 -80.00 . . 58 . C . 59 . N . 59 . CA . 59 . C parsed_2i8f 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.00 -80.00 . . 60 . C . 61 . N . 61 . CA . 61 . C parsed_2i8f 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.00 -80.00 . . 63 . C . 64 . N . 64 . CA . 64 . C parsed_2i8f 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.00 -80.00 . . 65 . C . 66 . N . 66 . CA . 66 . C parsed_2i8f 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.00 -80.00 . . 66 . C . 67 . N . 67 . CA . 67 . C parsed_2i8f 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.00 -80.00 . . 81 . C . 82 . N . 82 . CA . 82 . C parsed_2i8f 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_2i8f 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_2i8f 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_2i8f 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_2i8f 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_2i8f 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . . 32 . C . 33 . N . 33 . CA . 33 . C parsed_2i8f 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . . 34 . C . 35 . N . 35 . CA . 35 . C parsed_2i8f 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . . 39 . C . 40 . N . 40 . CA . 40 . C parsed_2i8f 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . . 40 . C . 41 . N . 41 . CA . 41 . C parsed_2i8f 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . . 41 . C . 42 . N . 42 . CA . 42 . C parsed_2i8f 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . . 42 . C . 43 . N . 43 . CA . 43 . C parsed_2i8f 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . . 43 . C . 44 . N . 44 . CA . 44 . C parsed_2i8f 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . . 44 . C . 45 . N . 45 . CA . 45 . C parsed_2i8f 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . . 47 . C . 48 . N . 48 . CA . 48 . C parsed_2i8f 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . . 67 . C . 68 . N . 68 . CA . 68 . C parsed_2i8f 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . . 70 . C . 71 . N . 71 . CA . 71 . C parsed_2i8f 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . . 71 . C . 72 . N . 72 . CA . 72 . C parsed_2i8f 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . . 72 . C . 73 . N . 73 . CA . 73 . C parsed_2i8f 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . . 73 . C . 74 . N . 74 . CA . 74 . C parsed_2i8f 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . . 74 . C . 75 . N . 75 . CA . 75 . C parsed_2i8f 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . . 75 . C . 76 . N . 76 . CA . 76 . C parsed_2i8f 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . . 76 . C . 77 . N . 77 . CA . 77 . C parsed_2i8f 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . . 77 . C . 78 . N . 78 . CA . 78 . C parsed_2i8f 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . . 78 . C . 79 . N . 79 . CA . 79 . C parsed_2i8f 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175.00 185.00 . . 10 . O . 10 . C . 11 . N . 11 . CD parsed_2i8f 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175.00 185.00 . . 24 . O . 24 . C . 25 . N . 25 . CD parsed_2i8f 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175.00 185.00 . . 57 . O . 57 . C . 58 . N . 58 . CD parsed_2i8f 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175.00 185.00 . . 59 . O . 59 . C . 60 . N . 60 . CD parsed_2i8f 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175.00 185.00 . . 61 . O . 61 . C . 62 . N . 62 . CD parsed_2i8f 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175.00 185.00 . . 62 . O . 62 . C . 63 . N . 63 . CD parsed_2i8f 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175.00 185.00 . . 64 . O . 64 . C . 65 . N . 65 . CD parsed_2i8f 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 0.00 . . 9 . N . 9 . CA . 9 . CB . 9 . OG parsed_2i8f 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 0.00 . . 10 . N . 10 . CA . 10 . CB . 10 . CG parsed_2i8f 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 0.00 . . 12 . N . 12 . CA . 12 . CB . 12 . SG parsed_2i8f 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 0.00 . . 15 . N . 15 . CA . 15 . CB . 15 . SG parsed_2i8f 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 0.00 . . 27 . N . 27 . CA . 27 . CB . 27 . CG parsed_2i8f 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 0.00 . . 34 . N . 34 . CA . 34 . CB . 34 . CG parsed_2i8f 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 0.00 . . 64 . N . 64 . CA . 64 . CB . 64 . CG parsed_2i8f 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 0.00 . . 74 . N . 74 . CA . 74 . CB . 74 . CG parsed_2i8f 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 0.00 . . 81 . N . 81 . CA . 81 . CB . 81 . CG parsed_2i8f 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 0.00 . . 22 . N . 22 . CA . 22 . CB . 22 . CG parsed_2i8f 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.00 240.00 . . 52 . N . 52 . CA . 52 . CB . 52 . OG parsed_2i8f 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 0.00 . . 56 . N . 56 . CA . 56 . CB . 56 . CG parsed_2i8f 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.00 240.00 . . 61 . N . 61 . CA . 61 . CB . 61 . CG parsed_2i8f 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.00 240.00 . . 77 . N . 77 . CA . 77 . CB . 77 . CG parsed_2i8f 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.00 120.00 . . 66 . N . 66 . CA . 66 . CB . 66 . CG1 parsed_2i8f 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 0.00 . . 18 . N . 18 . CA . 18 . CB . 18 . CG1 parsed_2i8f 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 0.00 . . 23 . N . 23 . CA . 23 . CB . 23 . CG1 parsed_2i8f 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 0.00 . . 30 . N . 30 . CA . 30 . CB . 30 . CG1 parsed_2i8f 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 0.00 . . 55 . N . 55 . CA . 55 . CB . 55 . CG1 parsed_2i8f 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 0.00 . . 78 . N . 78 . CA . 78 . CB . 78 . CG1 parsed_2i8f 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
;
h47a dihedral restraints
modified form m61h torzob_v2.tbl
;
3 5 4 38 parsed_2i8f 1
2 "MESSAGE OFF ECHO OFF" 5 1 5 28 parsed_2i8f 1
3 "9 Hz" 8 39 8 44 parsed_2i8f 1
4 "9 Hz" 11 39 11 44 parsed_2i8f 1
5 "9 Hz" 14 39 14 44 parsed_2i8f 1
6 "9 Hz" 17 39 17 44 parsed_2i8f 1
7 "9 Hz" 20 39 20 44 parsed_2i8f 1
8 "9 Hz" 23 39 23 45 parsed_2i8f 1
9 "9 Hz" 26 39 26 45 parsed_2i8f 1
10 "9 Hz" 29 39 29 46 parsed_2i8f 1
11 "9 Hz" 32 39 32 45 parsed_2i8f 1
12 "9 Hz" 35 39 35 47 parsed_2i8f 1
13 "9 Hz" 38 39 38 46 parsed_2i8f 1
14 "9 Hz" 41 39 41 46 parsed_2i8f 1
15 "9 Hz" 44 39 44 46 parsed_2i8f 1
16 5.5Hz 47 39 47 45 parsed_2i8f 1
17 5.5Hz 50 39 50 46 parsed_2i8f 1
18 5.5Hz 53 39 53 46 parsed_2i8f 1
19 5.5Hz 56 39 56 46 parsed_2i8f 1
20 5.5Hz 59 39 59 46 parsed_2i8f 1
21 5.5Hz 62 39 62 46 parsed_2i8f 1
22 5.5Hz 65 39 65 45 parsed_2i8f 1
23 5.5Hz 68 39 68 45 parsed_2i8f 1
24 5.5Hz 71 39 71 46 parsed_2i8f 1
25 5.5Hz 74 39 74 45 parsed_2i8f 1
26 5.5Hz 77 39 77 46 parsed_2i8f 1
27 5.5Hz 80 39 80 45 parsed_2i8f 1
28 5.5Hz 83 39 83 46 parsed_2i8f 1
29 5.5Hz 86 39 86 46 parsed_2i8f 1
30 5.5Hz 89 39 89 46 parsed_2i8f 1
31 5.5Hz 92 39 92 46 parsed_2i8f 1
32 5.5Hz 95 39 95 46 parsed_2i8f 1
33 5.5Hz 98 39 98 46 parsed_2i8f 1
34 5.5Hz 101 39 101 46 parsed_2i8f 1
35 5.5Hz 104 39 104 46 parsed_2i8f 1
36 5.5Hz 107 39 107 46 parsed_2i8f 1
37 5.5Hz 110 39 110 45 parsed_2i8f 1
38 5.5Hz 113 39 113 45 parsed_2i8f 1
39
;
5.5Hz
proline omega angles
;
116 39 118 23 parsed_2i8f 1
40 "Chi angles" 141 1 141 15 parsed_2i8f 1
41 Valines 185 4 185 13 parsed_2i8f 1
42 "MESSAGE ON ECHO ON" 205 1 205 26 parsed_2i8f 1
stop_
save_
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