NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
567600 |
2m99   |
19287 | cing | 2-parsed | STAR | dihedral angle | 74 |
data_2m99_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2m99
_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_2m99 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2m99
_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 2m99 "Master copy" parsed_2m99
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2m99
_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 2m99.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2m99 1
1 2m99.mr . . DYANA/DIANA 2 distance NOE simple 1087 parsed_2m99 1
1 2m99.mr . . DYANA/DIANA 3 distance "general distance" simple 3 parsed_2m99 1
1 2m99.mr . . DYANA/DIANA 4 distance NOE simple 139 parsed_2m99 1
1 2m99.mr . . DYANA/DIANA 5 distance "hydrogen bond" simple 20 parsed_2m99 1
1 2m99.mr . . DYANA/DIANA 6 distance "general distance" simple 3 parsed_2m99 1
1 2m99.mr . . DYANA/DIANA 7 distance "hydrogen bond" simple 8 parsed_2m99 1
1 2m99.mr . . DYANA/DIANA 8 "dihedral angle" "Not applicable" "Not applicable" 74 parsed_2m99 1
1 2m99.mr . . "MR format" 9 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2m99 1
stop_
save_
save_DYANA/DIANA_dihedral_8
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2m99
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 8
_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 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.872 171.872 . . 2 PRO . . . . . . . . . . . . . parsed_2m99 1
2 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.207 -25.207 . . 3 ARG . . . . . . . . . . . . . parsed_2m99 1
3 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.200 -6.200 . . 3 ARG . . . . . . . . . . . . . parsed_2m99 1
4 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.328 -39.328 . . 4 PHE . . . . . . . . . . . . . parsed_2m99 1
5 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.872 1.128 . . 4 PHE . . . . . . . . . . . . . parsed_2m99 1
6 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.751 -39.751 . . 5 CYSS . . . . . . . . . . . . . parsed_2m99 1
7 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.467 -2.467 . . 5 CYSS . . . . . . . . . . . . . parsed_2m99 1
8 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.659 -38.659 . . 8 ALA . . . . . . . . . . . . . parsed_2m99 1
9 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.618 165.618 . . 8 ALA . . . . . . . . . . . . . parsed_2m99 1
10 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.542 -37.542 . . 11 ALA . . . . . . . . . . . . . parsed_2m99 1
11 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.000 -3.000 . . 11 ALA . . . . . . . . . . . . . parsed_2m99 1
12 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.477 -39.477 . . 12 GLY . . . . . . . . . . . . . parsed_2m99 1
13 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.095 6.905 . . 12 GLY . . . . . . . . . . . . . parsed_2m99 1
14 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.613 -89.613 . . 15 PHE . . . . . . . . . . . . . parsed_2m99 1
15 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.235 168.235 . . 15 PHE . . . . . . . . . . . . . parsed_2m99 1
16 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -147.748 -87.748 . . 16 ALA . . . . . . . . . . . . . parsed_2m99 1
17 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 137.954 197.954 . . 16 ALA . . . . . . . . . . . . . parsed_2m99 1
18 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -131.527 -71.527 . . 17 PHE . . . . . . . . . . . . . parsed_2m99 1
19 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 98.516 158.516 . . 17 PHE . . . . . . . . . . . . . parsed_2m99 1
20 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136.517 -76.517 . . 18 VAL . . . . . . . . . . . . . parsed_2m99 1
21 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 92.774 152.774 . . 18 VAL . . . . . . . . . . . . . parsed_2m99 1
22 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.426 171.426 . . 19 PRO . . . . . . . . . . . . . parsed_2m99 1
23 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -157.060 -97.060 . . 20 SER . . . . . . . . . . . . . parsed_2m99 1
24 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 124.154 184.154 . . 20 SER . . . . . . . . . . . . . parsed_2m99 1
25 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.585 -110.585 . . 21 TYR . . . . . . . . . . . . . parsed_2m99 1
26 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123.489 183.489 . . 21 TYR . . . . . . . . . . . . . parsed_2m99 1
27 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159.522 -99.522 . . 22 TYR . . . . . . . . . . . . . parsed_2m99 1
28 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.874 175.874 . . 22 TYR . . . . . . . . . . . . . parsed_2m99 1
29 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136.429 -76.429 . . 23 TYR . . . . . . . . . . . . . parsed_2m99 1
30 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.068 149.068 . . 23 TYR . . . . . . . . . . . . . parsed_2m99 1
31 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.616 -32.616 . . 25 GLN . . . . . . . . . . . . . parsed_2m99 1
32 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.569 2.431 . . 25 GLN . . . . . . . . . . . . . parsed_2m99 1
33 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.508 -42.508 . . 26 TYR . . . . . . . . . . . . . parsed_2m99 1
34 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.796 -4.796 . . 26 TYR . . . . . . . . . . . . . parsed_2m99 1
35 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -118.666 -58.666 . . 27 SER . . . . . . . . . . . . . parsed_2m99 1
36 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.849 14.151 . . 27 SER . . . . . . . . . . . . . parsed_2m99 1
37 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -161.081 -101.081 . . 29 THR . . . . . . . . . . . . . parsed_2m99 1
38 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135.530 195.530 . . 29 THR . . . . . . . . . . . . . parsed_2m99 1
39 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156.638 -96.638 . . 30 CYSS . . . . . . . . . . . . . parsed_2m99 1
40 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.385 170.385 . . 30 CYSS . . . . . . . . . . . . . parsed_2m99 1
41 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -163.258 -103.258 . . 31 HIS . . . . . . . . . . . . . parsed_2m99 1
42 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 119.088 179.088 . . 31 HIS . . . . . . . . . . . . . parsed_2m99 1
43 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -123.784 -63.784 . . 32 SER . . . . . . . . . . . . . parsed_2m99 1
44 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.492 172.492 . . 32 SER . . . . . . . . . . . . . parsed_2m99 1
45 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.619 -88.619 . . 33 PHE . . . . . . . . . . . . . parsed_2m99 1
46 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99.643 179.643 . . 33 PHE . . . . . . . . . . . . . parsed_2m99 1
47 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.728 -65.728 . . 34 THR . . . . . . . . . . . . . parsed_2m99 1
48 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 91.250 151.250 . . 34 THR . . . . . . . . . . . . . parsed_2m99 1
49 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.251 -85.251 . . 35 TYR . . . . . . . . . . . . . parsed_2m99 1
50 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104.209 184.209 . . 35 TYR . . . . . . . . . . . . . parsed_2m99 1
51 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -116.612 -56.612 . . 42 ALA . . . . . . . . . . . . . parsed_2m99 1
52 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44.894 15.106 . . 42 ALA . . . . . . . . . . . . . parsed_2m99 1
53 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.426 -73.426 . . 44 ARG . . . . . . . . . . . . . parsed_2m99 1
54 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 98.173 158.173 . . 44 ARG . . . . . . . . . . . . . parsed_2m99 1
55 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.086 -85.086 . . 45 PHE . . . . . . . . . . . . . parsed_2m99 1
56 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 129.921 189.921 . . 45 PHE . . . . . . . . . . . . . parsed_2m99 1
57 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.315 -55.315 . . 46 ARG . . . . . . . . . . . . . parsed_2m99 1
58 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.681 9.319 . . 46 ARG . . . . . . . . . . . . . parsed_2m99 1
59 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -162.188 -102.188 . . 47 THR . . . . . . . . . . . . . parsed_2m99 1
60 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 131.012 191.012 . . 47 THR . . . . . . . . . . . . . parsed_2m99 1
61 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.530 -32.530 . . 48 ILE . . . . . . . . . . . . . parsed_2m99 1
62 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.982 -10.982 . . 48 ILE . . . . . . . . . . . . . parsed_2m99 1
63 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.637 -31.637 . . 49 ASP . . . . . . . . . . . . . parsed_2m99 1
64 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.513 -8.513 . . 49 ASP . . . . . . . . . . . . . parsed_2m99 1
65 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.613 -34.613 . . 50 GLU . . . . . . . . . . . . . parsed_2m99 1
66 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.117 -11.117 . . 50 GLU . . . . . . . . . . . . . parsed_2m99 1
67 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.732 -37.732 . . 51 CYSS . . . . . . . . . . . . . parsed_2m99 1
68 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.970 -10.970 . . 51 CYSS . . . . . . . . . . . . . parsed_2m99 1
69 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.022 -29.022 . . 52 ASN . . . . . . . . . . . . . parsed_2m99 1
70 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.150 -9.150 . . 52 ASN . . . . . . . . . . . . . parsed_2m99 1
71 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.978 -32.978 . . 53 ARG . . . . . . . . . . . . . parsed_2m99 1
72 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.209 -11.209 . . 53 ARG . . . . . . . . . . . . . parsed_2m99 1
73 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.309 -37.309 . . 54 THR . . . . . . . . . . . . . parsed_2m99 1
74 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.829 -13.829 . . 54 THR . . . . . . . . . . . . . parsed_2m99 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 "2 PRO PHI -88.323 -28.323" 1 1 1 33 parsed_2m99 1
2 "19 PRO PHI -94.906 -34.906" 23 1 23 33 parsed_2m99 1
3 "109.643 169.643" 48 34 48 51 parsed_2m99 1
stop_
save_
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