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 |
|
|
572808 |
2m5f   |
19052 | cing | 2-parsed | STAR | dihedral angle | 45 |
data_2m5f_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2m5f
_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_2m5f 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2m5f
_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 2m5f "Master copy" parsed_2m5f
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2m5f
_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 2m5f.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2m5f 1
1 2m5f.mr . . XPLOR/CNS 2 distance NOE simple 447 parsed_2m5f 1
1 2m5f.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 45 parsed_2m5f 1
1 2m5f.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2m5f 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2m5f
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.0 -50.8 . . 507 . C . 508 . N . 508 . CA . 508 . C parsed_2m5f 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -132.7 -49.3 . . 513 . C . 514 . N . 514 . CA . 514 . C parsed_2m5f 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.9 -40.9 . . 516 . C . 517 . N . 517 . CA . 517 . C parsed_2m5f 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.2 -59.6 . . 517 . C . 518 . N . 518 . CA . 518 . C parsed_2m5f 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 56.7 116.7 . . 523 . C . 524 . N . 524 . CA . 524 . C parsed_2m5f 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -121.1 -57.1 . . 524 . C . 525 . N . 525 . CA . 525 . C parsed_2m5f 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 53.8 114.8 . . 527 . C . 528 . N . 528 . CA . 528 . C parsed_2m5f 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.6 -37.4 . . 533 . C . 534 . N . 534 . CA . 534 . C parsed_2m5f 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.5 -69.5 . . 534 . C . 535 . N . 535 . CA . 535 . C parsed_2m5f 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 48.0 111.2 . . 540 . C . 541 . N . 541 . CA . 541 . C parsed_2m5f 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -119.0 -26.0 . . 541 . C . 542 . N . 542 . CA . 542 . C parsed_2m5f 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.0 -32.8 . . 542 . C . 543 . N . 543 . CA . 543 . C parsed_2m5f 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.1 -36.5 . . 543 . C . 544 . N . 544 . CA . 544 . C parsed_2m5f 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -116.6 -54.6 . . 544 . C . 545 . N . 545 . CA . 545 . C parsed_2m5f 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 51.3 112.7 . . 545 . C . 546 . N . 546 . CA . 546 . C parsed_2m5f 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -103.8 -28.6 . . 548 . C . 549 . N . 549 . CA . 549 . C parsed_2m5f 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -114.9 -53.5 . . 549 . C . 550 . N . 550 . CA . 550 . C parsed_2m5f 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -137.3 -46.3 . . 550 . C . 551 . N . 551 . CA . 551 . C parsed_2m5f 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55.6 115.6 . . 552 . C . 553 . N . 553 . CA . 553 . C parsed_2m5f 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -122.5 -58.5 . . 555 . C . 556 . N . 556 . CA . 556 . C parsed_2m5f 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 59.4 119.4 . . 556 . C . 557 . N . 557 . CA . 557 . C parsed_2m5f 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.2 175.4 . . 508 . N . 508 . CA . 508 . C . 509 . N parsed_2m5f 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.9 -7.3 . . 516 . N . 516 . CA . 516 . C . 517 . N parsed_2m5f 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.7 2.5 . . 517 . N . 517 . CA . 517 . C . 518 . N parsed_2m5f 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.5 41.5 . . 520 . N . 520 . CA . 520 . C . 521 . N parsed_2m5f 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -24.6 37.2 . . 524 . N . 524 . CA . 524 . C . 525 . N parsed_2m5f 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 57.7 195.5 . . 525 . N . 525 . CA . 525 . C . 526 . N parsed_2m5f 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -18.1 52.5 . . 528 . N . 528 . CA . 528 . C . 529 . N parsed_2m5f 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -14.4 65.8 . . 531 . N . 531 . CA . 531 . C . 532 . N parsed_2m5f 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.4 -0.8 . . 534 . N . 534 . CA . 534 . C . 535 . N parsed_2m5f 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.5 23.1 . . 535 . N . 535 . CA . 535 . C . 536 . N parsed_2m5f 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.1 3.9 . . 538 . N . 538 . CA . 538 . C . 539 . N parsed_2m5f 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.2 15.6 . . 539 . N . 539 . CA . 539 . C . 540 . N parsed_2m5f 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -16.9 59.5 . . 541 . N . 541 . CA . 541 . C . 542 . N parsed_2m5f 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.6 24.4 . . 542 . N . 542 . CA . 542 . C . 543 . N parsed_2m5f 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.4 -4.8 . . 543 . N . 543 . CA . 543 . C . 544 . N parsed_2m5f 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.5 -10.5 . . 544 . N . 544 . CA . 544 . C . 545 . N parsed_2m5f 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.8 46.2 . . 545 . N . 545 . CA . 545 . C . 546 . N parsed_2m5f 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -17.7 53.5 . . 546 . N . 546 . CA . 546 . C . 547 . N parsed_2m5f 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.5 -11.9 . . 549 . N . 549 . CA . 549 . C . 550 . N parsed_2m5f 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.8 11.0 . . 550 . N . 550 . CA . 550 . C . 551 . N parsed_2m5f 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -17.8 43.2 . . 553 . N . 553 . CA . 553 . C . 554 . N parsed_2m5f 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -32.3 37.7 . . 556 . N . 556 . CA . 556 . C . 557 . N parsed_2m5f 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -33.2 26.8 . . 557 . N . 557 . CA . 557 . C . 558 . N parsed_2m5f 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 82.7 172.9 . . 559 . N . 559 . CA . 559 . C . 560 . N parsed_2m5f 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 angles" 1 1 1 19 parsed_2m5f 1
2 "remark psi angles" 45 1 45 19 parsed_2m5f 1
stop_
save_
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