NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
529722 |
2l8s   |
17424 | cing | 2-parsed | STAR | dihedral angle | 60 |
data_2l8s_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2l8s
_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_2l8s 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2l8s
_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 2l8s "Master copy" parsed_2l8s
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2l8s
_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 2l8s.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2l8s 1
1 2l8s.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 60 parsed_2l8s 1
1 2l8s.mr . . XPLOR/CNS 3 distance NOE simple 0 parsed_2l8s 1
1 2l8s.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2l8s 1
1 2l8s.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2l8s 1
stop_
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2l8s
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 2
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -107.974 -71.524 . . 2 . c . 3 . n . 3 . ca . 3 . c parsed_2l8s 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 56.975 88.467 . . 4 . c . 5 . n . 5 . ca . 5 . c parsed_2l8s 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.028 -24.652 . . 5 . c . 6 . n . 6 . ca . 6 . c parsed_2l8s 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.564 -83.094 . . 6 . c . 7 . n . 7 . ca . 7 . c parsed_2l8s 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.738 -48.738 . . 7 . c . 8 . n . 8 . ca . 8 . c parsed_2l8s 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.520 -46.520 . . 8 . c . 9 . n . 9 . ca . 9 . c parsed_2l8s 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.928 -56.928 . . 9 . c . 10 . n . 10 . ca . 10 . c parsed_2l8s 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.680 -54.680 . . 10 . c . 11 . n . 11 . ca . 11 . c parsed_2l8s 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.493 -54.493 . . 11 . c . 12 . n . 12 . ca . 12 . c parsed_2l8s 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.783 -49.783 . . 12 . c . 13 . n . 13 . ca . 13 . c parsed_2l8s 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.389 -52.389 . . 13 . c . 14 . n . 14 . ca . 14 . c parsed_2l8s 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.683 -56.619 . . 14 . c . 15 . n . 15 . ca . 15 . c parsed_2l8s 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.318 -51.318 . . 15 . c . 16 . n . 16 . ca . 16 . c parsed_2l8s 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.904 -56.904 . . 16 . c . 17 . n . 17 . ca . 17 . c parsed_2l8s 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.859 -53.859 . . 17 . c . 18 . n . 18 . ca . 18 . c parsed_2l8s 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.447 -55.447 . . 18 . c . 19 . n . 19 . ca . 19 . c parsed_2l8s 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.454 -47.454 . . 19 . c . 20 . n . 20 . ca . 20 . c parsed_2l8s 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.498 -54.498 . . 20 . c . 21 . n . 21 . ca . 21 . c parsed_2l8s 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.194 -53.194 . . 21 . c . 22 . n . 22 . ca . 22 . c parsed_2l8s 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.331 -52.331 . . 22 . c . 23 . n . 23 . ca . 23 . c parsed_2l8s 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.010 -53.010 . . 23 . c . 24 . n . 24 . ca . 24 . c parsed_2l8s 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.788 -53.788 . . 24 . c . 25 . n . 25 . ca . 25 . c parsed_2l8s 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.671 -58.671 . . 25 . c . 26 . n . 26 . ca . 26 . c parsed_2l8s 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.620 -53.620 . . 26 . c . 27 . n . 27 . ca . 27 . c parsed_2l8s 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.780 -48.780 . . 27 . c . 28 . n . 28 . ca . 28 . c parsed_2l8s 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.326 -53.326 . . 28 . c . 29 . n . 29 . ca . 29 . c parsed_2l8s 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.382 -51.382 . . 29 . c . 30 . n . 30 . ca . 30 . c parsed_2l8s 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.596 -52.596 . . 30 . c . 31 . n . 31 . ca . 31 . c parsed_2l8s 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.358 -54.358 . . 31 . c . 32 . n . 32 . ca . 32 . c parsed_2l8s 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.964 -68.020 . . 32 . c . 33 . n . 33 . ca . 33 . c parsed_2l8s 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.001 149.799 . . 3 . n . 3 . ca . 3 . c . 4 . n parsed_2l8s 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -13.535 31.935 . . 5 . n . 5 . ca . 5 . c . 6 . n parsed_2l8s 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.391 157.983 . . 6 . n . 6 . ca . 6 . c . 7 . n parsed_2l8s 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.854 152.446 . . 7 . n . 7 . ca . 7 . c . 8 . n parsed_2l8s 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 129.467 148.445 . . 8 . n . 8 . ca . 8 . c . 9 . n parsed_2l8s 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.855 -30.789 . . 9 . n . 9 . ca . 9 . c . 10 . n parsed_2l8s 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.288 -31.380 . . 10 . n . 10 . ca . 10 . c . 11 . n parsed_2l8s 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.534 -39.192 . . 11 . n . 11 . ca . 11 . c . 12 . n parsed_2l8s 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.981 -41.431 . . 12 . n . 12 . ca . 12 . c . 13 . n parsed_2l8s 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.659 -33.609 . . 13 . n . 13 . ca . 13 . c . 14 . n parsed_2l8s 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.740 -33.628 . . 14 . n . 14 . ca . 14 . c . 15 . n parsed_2l8s 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.669 -23.967 . . 15 . n . 15 . ca . 15 . c . 16 . n parsed_2l8s 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.731 -30.967 . . 16 . n . 16 . ca . 16 . c . 17 . n parsed_2l8s 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44.603 -37.033 . . 17 . n . 17 . ca . 17 . c . 18 . n parsed_2l8s 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.339 -20.509 . . 18 . n . 18 . ca . 18 . c . 19 . n parsed_2l8s 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.895 -20.555 . . 19 . n . 19 . ca . 19 . c . 20 . n parsed_2l8s 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.244 -36.666 . . 20 . n . 20 . ca . 20 . c . 21 . n parsed_2l8s 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.680 -31.762 . . 21 . n . 21 . ca . 21 . c . 22 . n parsed_2l8s 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.079 -37.607 . . 22 . n . 22 . ca . 22 . c . 23 . n parsed_2l8s 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.870 -37.098 . . 23 . n . 23 . ca . 23 . c . 24 . n parsed_2l8s 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.009 -40.205 . . 24 . n . 24 . ca . 24 . c . 25 . n parsed_2l8s 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.211 -34.811 . . 25 . n . 25 . ca . 25 . c . 26 . n parsed_2l8s 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.976 -30.698 . . 26 . n . 26 . ca . 26 . c . 27 . n parsed_2l8s 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.743 -38.429 . . 27 . n . 27 . ca . 27 . c . 28 . n parsed_2l8s 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.976 -36.064 . . 28 . n . 28 . ca . 28 . c . 29 . n parsed_2l8s 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.594 -35.826 . . 29 . n . 29 . ca . 29 . c . 30 . n parsed_2l8s 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.552 -35.332 . . 30 . n . 30 . ca . 30 . c . 31 . n parsed_2l8s 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.562 -37.534 . . 31 . n . 31 . ca . 31 . c . 32 . n parsed_2l8s 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.669 -28.443 . . 32 . n . 32 . ca . 32 . c . 33 . n parsed_2l8s 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -33.430 6.062 . . 33 . n . 33 . ca . 33 . c . 34 . n parsed_2l8s 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
;
remark phi angle constraints
3
;
1 1 3 4 parsed_2l8s 1
2 5 7 1 7 4 parsed_2l8s 1
3 6 11 1 11 4 parsed_2l8s 1
4 7 15 1 15 4 parsed_2l8s 1
5 8 19 1 19 4 parsed_2l8s 1
6 9 23 1 23 4 parsed_2l8s 1
7 10 27 1 27 5 parsed_2l8s 1
8 11 31 1 31 5 parsed_2l8s 1
9 12 35 1 35 5 parsed_2l8s 1
10 13 39 1 39 5 parsed_2l8s 1
11 14 43 1 43 5 parsed_2l8s 1
12 15 47 1 47 5 parsed_2l8s 1
13 16 51 1 51 5 parsed_2l8s 1
14 17 55 1 55 5 parsed_2l8s 1
15 18 59 1 59 5 parsed_2l8s 1
16 19 63 1 63 5 parsed_2l8s 1
17 20 67 1 67 5 parsed_2l8s 1
18 21 71 1 71 5 parsed_2l8s 1
19 22 75 1 75 5 parsed_2l8s 1
20 23 79 1 79 5 parsed_2l8s 1
21 24 83 1 83 5 parsed_2l8s 1
22 25 87 1 87 5 parsed_2l8s 1
23 26 91 1 91 5 parsed_2l8s 1
24 27 95 1 95 5 parsed_2l8s 1
25 28 99 1 99 5 parsed_2l8s 1
26 29 103 1 103 5 parsed_2l8s 1
27 30 107 1 107 5 parsed_2l8s 1
28 31 111 1 111 5 parsed_2l8s 1
29 32 115 1 115 5 parsed_2l8s 1
30 33 119 1 119 5 parsed_2l8s 1
31
;
remark psi angle constraints
3
;
125 1 127 4 parsed_2l8s 1
32 5 131 1 131 4 parsed_2l8s 1
33 6 135 1 135 4 parsed_2l8s 1
34 7 139 1 139 4 parsed_2l8s 1
35 8 143 1 143 4 parsed_2l8s 1
36 9 147 1 147 4 parsed_2l8s 1
37 10 151 1 151 5 parsed_2l8s 1
38 11 155 1 155 5 parsed_2l8s 1
39 12 159 1 159 5 parsed_2l8s 1
40 13 163 1 163 5 parsed_2l8s 1
41 14 167 1 167 5 parsed_2l8s 1
42 15 171 1 171 5 parsed_2l8s 1
43 16 175 1 175 5 parsed_2l8s 1
44 17 179 1 179 5 parsed_2l8s 1
45 18 183 1 183 5 parsed_2l8s 1
46 19 187 1 187 5 parsed_2l8s 1
47 20 191 1 191 5 parsed_2l8s 1
48 21 195 1 195 5 parsed_2l8s 1
49 22 199 1 199 5 parsed_2l8s 1
50 23 203 1 203 5 parsed_2l8s 1
51 24 207 1 207 5 parsed_2l8s 1
52 25 211 1 211 5 parsed_2l8s 1
53 26 215 1 215 5 parsed_2l8s 1
54 27 219 1 219 5 parsed_2l8s 1
55 28 223 1 223 5 parsed_2l8s 1
56 29 227 1 227 5 parsed_2l8s 1
57 30 231 1 231 5 parsed_2l8s 1
58 31 235 1 235 5 parsed_2l8s 1
59 32 239 1 239 5 parsed_2l8s 1
60 33 243 1 243 5 parsed_2l8s 1
stop_
save_
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