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 | subtype | item_count |
|
|
650186 |
6ti5   |
34454 | cing | 2-parsed | STAR | entry | full | 24 |
data_6ti5_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6ti5
_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_6ti5 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6ti5
_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 6ti5 "Master copy" parsed_6ti5
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6ti5
_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 6ti5.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6ti5 1
1 6ti5.mr . . XPLOR/CNS 2 distance NOE simple 24 parsed_6ti5 1
1 6ti5.mr . . "MR format" 3 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6ti5 1
stop_
save_
save_MR_file_comment_1
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_6ti5
_Org_constr_file_comment.ID 1
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 1
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
*HEADER PROTEIN FIBRIL 21-NOV-19 6TI5
*TITLE A NEW STRUCTURAL MODEL OF ABETA(1-40) FIBRILS
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: AMYLOID-BETA PRECURSOR PROTEIN;
*COMPND 3 CHAIN: A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P;
*COMPND 4 SYNONYM: APP,ABPP,APPI,ALZHEIMER DISEASE AMYLOID PROTEIN,AMYLOID
*COMPND 5 PRECURSOR PROTEIN,AMYLOID-BETA A4 PROTEIN,CEREBRAL VASCULAR AMYLOID
*COMPND 6 PEPTIDE,CVAP,PREA4,PROTEASE NEXIN-II,PN-II;
*COMPND 7 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
*SOURCE 3 ORGANISM_COMMON: HUMAN;
*SOURCE 4 ORGANISM_TAXID: 9606;
*SOURCE 5 GENE: APP, A4, AD1;
*SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562
*KEYWDS AMYLOID BETA PEPTIDES, ALZHEIMER'S DISEASE, SUPRAMOLECULAR ASSEMBLY,
*KEYWDS 2 PROTEIN FIBRIL
*EXPDTA SOLID-STATE NMR
*NUMMDL 4
*AUTHOR I.BERTINI,L.GONNELLI,C.LUCHINAT,J.MAO,A.NESI
*REVDAT 1 22-JUL-20 6TI5 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6ti5
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 2
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . parsed_6ti5 1
2 1 . . . parsed_6ti5 1
3 1 . . . parsed_6ti5 1
4 1 . . . parsed_6ti5 1
5 1 . . . parsed_6ti5 1
6 1 . . . parsed_6ti5 1
7 1 . . . parsed_6ti5 1
8 1 . . . parsed_6ti5 1
9 1 . . . parsed_6ti5 1
10 1 . . . parsed_6ti5 1
11 1 . . . parsed_6ti5 1
12 1 . . . parsed_6ti5 1
13 1 . . . parsed_6ti5 1
14 1 . . . parsed_6ti5 1
15 1 . . . parsed_6ti5 1
16 1 . . . parsed_6ti5 1
17 1 . . . parsed_6ti5 1
18 1 . . . parsed_6ti5 1
19 1 . . . parsed_6ti5 1
20 1 . . . parsed_6ti5 1
21 1 . . . parsed_6ti5 1
22 1 . . . parsed_6ti5 1
23 1 . . . parsed_6ti5 1
24 1 . . . parsed_6ti5 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 . . . . . . . . A 35 . CE parsed_6ti5 1
1 1 2 . . . . . . . . B 39 . CG1 parsed_6ti5 1
2 1 1 . . . . . . . . A 35 . CE parsed_6ti5 1
2 1 2 . . . . . . . . B 37 . C parsed_6ti5 1
3 1 1 . . . . . . . . A 35 . CE parsed_6ti5 1
3 1 2 . . . . . . . . B 38 . C parsed_6ti5 1
4 1 1 . . . . . . . . A 35 . CE parsed_6ti5 1
4 1 2 . . . . . . . . B 37 . CA parsed_6ti5 1
5 1 1 . . . . . . . . A 35 . CE parsed_6ti5 1
5 1 2 . . . . . . . . B 38 . CA parsed_6ti5 1
6 1 1 . . . . . . . . A 35 . CE parsed_6ti5 1
6 1 2 . . . . . . . . B 37 . N parsed_6ti5 1
7 1 1 . . . . . . . . A 35 . CE parsed_6ti5 1
7 1 2 . . . . . . . . B 38 . N parsed_6ti5 1
8 1 1 . . . . . . . . A 39 . CG1 parsed_6ti5 1
8 1 2 . . . . . . . . B 31 . CG2 parsed_6ti5 1
9 1 1 . . . . . . . . A 39 . CG1 parsed_6ti5 1
9 1 2 . . . . . . . . B 33 . CA parsed_6ti5 1
10 1 1 . . . . . . . . A 39 . CG2 parsed_6ti5 1
10 1 2 . . . . . . . . B 32 . CA parsed_6ti5 1
11 1 1 . . . . . . . . A 39 . CB parsed_6ti5 1
11 1 2 . . . . . . . . B 32 . CA parsed_6ti5 1
12 1 1 . . . . . . . . A 19 . CD parsed_6ti5 1
12 1 2 . . . . . . . . B 34 . CD2 parsed_6ti5 1
13 1 1 . . . . . . . . A 19 . CE parsed_6ti5 1
13 1 2 . . . . . . . . B 34 . CD2 parsed_6ti5 1
14 1 1 . . . . . . . . A 19 . CD parsed_6ti5 1
14 1 2 . . . . . . . . B 34 . CD1 parsed_6ti5 1
15 1 1 . . . . . . . . A 19 . CE parsed_6ti5 1
15 1 2 . . . . . . . . B 34 . CD1 parsed_6ti5 1
16 1 1 . . . . . . . . A 19 . CB parsed_6ti5 1
16 1 2 . . . . . . . . B 34 . CD2 parsed_6ti5 1
17 1 1 . . . . . . . . A 19 . CD parsed_6ti5 1
17 1 2 . . . . . . . . B 34 . CA parsed_6ti5 1
18 1 1 . . . . . . . . A 19 . CE parsed_6ti5 1
18 1 2 . . . . . . . . B 34 . CA parsed_6ti5 1
19 1 1 . . . . . . . . A 19 . CD parsed_6ti5 1
19 1 2 . . . . . . . . B 36 . CG1 parsed_6ti5 1
20 1 1 . . . . . . . . A 19 . CE parsed_6ti5 1
20 1 2 . . . . . . . . B 36 . CG1 parsed_6ti5 1
21 1 1 . . . . . . . . A 19 . CB parsed_6ti5 1
21 1 2 . . . . . . . . B 36 . CG1 parsed_6ti5 1
22 1 1 . . . . . . . . A 19 . CA parsed_6ti5 1
22 1 2 . . . . . . . . B 36 . CG1 parsed_6ti5 1
23 1 1 . . . . . . . . A 21 . CB parsed_6ti5 1
23 1 2 . . . . . . . . B 32 . CG1 parsed_6ti5 1
24 1 1 . . . . . . . . A 17 . CD2 parsed_6ti5 1
24 1 2 . . . . . . . . B 37 . CA parsed_6ti5 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 4.000 2.000 6.000 parsed_6ti5 1
2 1 . . . . . 4.000 2.000 6.000 parsed_6ti5 1
3 1 . . . . . 4.000 2.000 6.000 parsed_6ti5 1
4 1 . . . . . 4.000 2.000 6.000 parsed_6ti5 1
5 1 . . . . . 4.000 2.000 6.000 parsed_6ti5 1
6 1 . . . . . 4.000 2.000 6.000 parsed_6ti5 1
7 1 . . . . . 4.000 2.000 6.000 parsed_6ti5 1
8 1 . . . . . 4.000 2.000 6.000 parsed_6ti5 1
9 1 . . . . . 4.000 2.000 6.000 parsed_6ti5 1
10 1 . . . . . 4.000 2.000 6.000 parsed_6ti5 1
11 1 . . . . . 4.000 2.000 6.000 parsed_6ti5 1
12 1 . . . . . 4.500 3.000 6.000 parsed_6ti5 1
13 1 . . . . . 4.500 3.000 6.000 parsed_6ti5 1
14 1 . . . . . 4.500 3.000 6.000 parsed_6ti5 1
15 1 . . . . . 4.500 3.000 6.000 parsed_6ti5 1
16 1 . . . . . 4.500 3.000 6.000 parsed_6ti5 1
17 1 . . . . . 4.500 3.000 6.000 parsed_6ti5 1
18 1 . . . . . 4.500 3.000 6.000 parsed_6ti5 1
19 1 . . . . . 4.500 3.000 6.000 parsed_6ti5 1
20 1 . . . . . 4.500 3.000 6.000 parsed_6ti5 1
21 1 . . . . . 4.500 3.000 6.000 parsed_6ti5 1
22 1 . . . . . 4.500 3.000 6.000 parsed_6ti5 1
23 1 . . . . . 4.500 3.000 6.000 parsed_6ti5 1
24 1 . . . . . 4.500 3.000 6.000 parsed_6ti5 1
stop_
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1 "# Restraints file 1: Inter_protofilament_restr_AB40.tbl" 1 1 1 55 parsed_6ti5 1
2 "# Restraints file 2: Intra_monomer_long-range_restr_AB40.tbl" 13 1 13 60 parsed_6ti5 1
stop_
save_
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