NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
604695 |
5aaz   |
25742 | cing | 2-parsed | STAR | dihedral angle | 46 |
data_5aaz_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5aaz
_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_5aaz 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5aaz
_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 5aaz "Master copy" parsed_5aaz
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5aaz
_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 5aaz.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5aaz 1
1 5aaz.mr . . XPLOR/CNS 2 distance NOE simple 579 parsed_5aaz 1
1 5aaz.mr . . XPLOR/CNS 3 distance "general distance" simple 10 parsed_5aaz 1
1 5aaz.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 10 parsed_5aaz 1
1 5aaz.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 46 parsed_5aaz 1
1 5aaz.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5aaz 1
stop_
save_
save_CNS/XPLOR_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_5aaz
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 5
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.8 -65.4 . . 492 . C . 493 . N . 493 . CA . 493 . C parsed_5aaz 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.4 -54.4 . . 493 . C . 494 . N . 494 . CA . 494 . C parsed_5aaz 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.4 -73.4 . . 494 . C . 495 . N . 495 . CA . 495 . C parsed_5aaz 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.5 -73.5 . . 495 . C . 496 . N . 496 . CA . 496 . C parsed_5aaz 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -134.4 -79.8 . . 496 . C . 497 . N . 497 . CA . 497 . C parsed_5aaz 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -127.0 -78.8 . . 497 . C . 498 . N . 498 . CA . 498 . C parsed_5aaz 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -108.5 -69.9 . . 499 . C . 500 . N . 500 . CA . 500 . C parsed_5aaz 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.9 -60.5 . . 502 . C . 503 . N . 503 . CA . 503 . C parsed_5aaz 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -137.2 -74.6 . . 503 . C . 504 . N . 504 . CA . 504 . C parsed_5aaz 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.4 -64.2 . . 504 . C . 505 . N . 505 . CA . 505 . C parsed_5aaz 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.2 -44.2 . . 505 . C . 506 . N . 506 . CA . 506 . C parsed_5aaz 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -192.2 -92.2 . . 506 . C . 507 . N . 507 . CA . 507 . C parsed_5aaz 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.4 -58.0 . . 508 . C . 509 . N . 509 . CA . 509 . C parsed_5aaz 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.3 -59.7 . . 509 . C . 510 . N . 510 . CA . 510 . C parsed_5aaz 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.7 -54.5 . . 510 . C . 511 . N . 511 . CA . 511 . C parsed_5aaz 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.2 -52.4 . . 511 . C . 512 . N . 512 . CA . 512 . C parsed_5aaz 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.7 -60.3 . . 512 . C . 513 . N . 513 . CA . 513 . C parsed_5aaz 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.3 -55.7 . . 513 . C . 514 . N . 514 . CA . 514 . C parsed_5aaz 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.1 -52.7 . . 514 . C . 515 . N . 515 . CA . 515 . C parsed_5aaz 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.1 -54.5 . . 515 . C . 516 . N . 516 . CA . 516 . C parsed_5aaz 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -118.3 -81.5 . . 516 . C . 517 . N . 517 . CA . 517 . C parsed_5aaz 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.1 -55.5 . . 517 . C . 518 . N . 518 . CA . 518 . C parsed_5aaz 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.6 -67.6 . . 518 . C . 519 . N . 519 . CA . 519 . C parsed_5aaz 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 80.2 168.0 . . 493 . N . 493 . CA . 493 . C . 494 . N parsed_5aaz 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135.7 167.9 . . 494 . N . 494 . CA . 494 . C . 495 . N parsed_5aaz 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.7 159.9 . . 495 . N . 495 . CA . 495 . C . 496 . N parsed_5aaz 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 77.0 161.2 . . 496 . N . 496 . CA . 496 . C . 497 . N parsed_5aaz 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96.4 144.2 . . 497 . N . 497 . CA . 497 . C . 498 . N parsed_5aaz 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104.1 148.3 . . 498 . N . 498 . CA . 498 . C . 499 . N parsed_5aaz 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.2 2.2 . . 500 . N . 500 . CA . 500 . C . 501 . N parsed_5aaz 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.6 134.4 . . 503 . N . 503 . CA . 503 . C . 504 . N parsed_5aaz 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104.5 134.1 . . 504 . N . 504 . CA . 504 . C . 505 . N parsed_5aaz 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.0 168.6 . . 505 . N . 505 . CA . 505 . C . 506 . N parsed_5aaz 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.8 -12.2 . . 506 . N . 506 . CA . 506 . C . 507 . N parsed_5aaz 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 146.3 183.9 . . 507 . N . 507 . CA . 507 . C . 508 . N parsed_5aaz 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.8 -35.0 . . 509 . N . 509 . CA . 509 . C . 510 . N parsed_5aaz 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.3 -32.9 . . 510 . N . 510 . CA . 510 . C . 511 . N parsed_5aaz 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.1 -37.9 . . 511 . N . 511 . CA . 511 . C . 512 . N parsed_5aaz 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.9 -29.5 . . 512 . N . 512 . CA . 512 . C . 513 . N parsed_5aaz 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 -24.4 . . 513 . N . 513 . CA . 513 . C . 514 . N parsed_5aaz 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.3 -21.5 . . 514 . N . 514 . CA . 514 . C . 515 . N parsed_5aaz 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.2 -29.6 . . 515 . N . 515 . CA . 515 . C . 516 . N parsed_5aaz 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.3 -12.9 . . 516 . N . 516 . CA . 516 . C . 517 . N parsed_5aaz 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -23.0 22.2 . . 517 . N . 517 . CA . 517 . C . 518 . N parsed_5aaz 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 158.8 . . 518 . N . 518 . CA . 518 . C . 519 . N parsed_5aaz 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.7 150.9 . . 519 . N . 519 . CA . 519 . C . 520 . N parsed_5aaz 1
stop_
save_
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