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 |
|
|
468035 |
2kye   |
17088 | cing | 2-parsed | STAR | dipolar coupling | 27 |
data_2kye_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2kye
_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_2kye 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2kye
_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 2kye "Master copy" parsed_2kye
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2kye
_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 2kye.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kye 1
1 2kye.mr . . XPLOR/CNS 2 distance NOE simple 273 parsed_2kye 1
1 2kye.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 27 parsed_2kye 1
1 2kye.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 89 parsed_2kye 1
1 2kye.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 27 parsed_2kye 1
1 2kye.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kye 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_5
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2kye
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 5
_RDC_constraint_list.Details "Generated by Wattos"
loop_
_RDC_constraint.ID
_RDC_constraint.Assembly_atom_ID_1
_RDC_constraint.Entity_assembly_ID_1
_RDC_constraint.Entity_ID_1
_RDC_constraint.Comp_index_ID_1
_RDC_constraint.Seq_ID_1
_RDC_constraint.Comp_ID_1
_RDC_constraint.Atom_ID_1
_RDC_constraint.Resonance_ID_1
_RDC_constraint.Assembly_atom_ID_2
_RDC_constraint.Entity_assembly_ID_2
_RDC_constraint.Entity_ID_2
_RDC_constraint.Comp_index_ID_2
_RDC_constraint.Seq_ID_2
_RDC_constraint.Comp_ID_2
_RDC_constraint.Atom_ID_2
_RDC_constraint.Resonance_ID_2
_RDC_constraint.RDC_val
_RDC_constraint.RDC_lower_bound
_RDC_constraint.RDC_upper_bound
_RDC_constraint.RDC_val_err
_RDC_constraint.Source_experiment_ID
_RDC_constraint.Auth_asym_ID_1
_RDC_constraint.Auth_seq_ID_1
_RDC_constraint.Auth_comp_ID_1
_RDC_constraint.Auth_atom_ID_1
_RDC_constraint.Auth_asym_ID_2
_RDC_constraint.Auth_seq_ID_2
_RDC_constraint.Auth_comp_ID_2
_RDC_constraint.Auth_atom_ID_2
_RDC_constraint.Entry_ID
_RDC_constraint.RDC_constraint_list_ID
1 . . . . . . . . . . . . . . . . 4.283 3.653 4.913 . . . 1 . H8 . 1 . C8 parsed_2kye 1
2 . . . . . . . . . . . . . . . . 6.488 5.858 7.118 . . . 2 . H2 . 2 . C2 parsed_2kye 1
3 . . . . . . . . . . . . . . . . 4.321 3.691 4.951 . . . 3 . H8 . 3 . C8 parsed_2kye 1
4 . . . . . . . . . . . . . . . . 6.626 5.996 7.256 . . . 4 . H8 . 4 . C8 parsed_2kye 1
5 . . . . . . . . . . . . . . . . 2.784 2.154 3.414 . . . 4 . H2 . 4 . C2 parsed_2kye 1
6 . . . . . . . . . . . . . . . . 6.739 6.109 7.369 . . . 5 . H8 . 5 . C8 parsed_2kye 1
7 . . . . . . . . . . . . . . . . 3.376 2.746 4.006 . . . 6 . H6 . 6 . C6 parsed_2kye 1
8 . . . . . . . . . . . . . . . . 2.998 2.368 3.628 . . . 9 . H8 . 9 . C8 parsed_2kye 1
9 . . . . . . . . . . . . . . . . 1.260 0.630 1.890 . . . 10 . H8 . 10 . C8 parsed_2kye 1
10 . . . . . . . . . . . . . . . . 2.456 1.826 3.086 . . . 11 . H6 . 11 . C6 parsed_2kye 1
11 . . . . . . . . . . . . . . . . -0.126 -0.756 0.504 . . . 11 . H5 . 11 . C5 parsed_2kye 1
12 . . . . . . . . . . . . . . . . 6.223 5.593 6.853 . . . 12 . H6 . 12 . C6 parsed_2kye 1
13 . . . . . . . . . . . . . . . . 5.114 4.484 5.744 . . . 13 . H6 . 13 . C6 parsed_2kye 1
14 . . . . . . . . . . . . . . . . 1.096 0.466 1.726 . . . 13 . H5 . 13 . C5 parsed_2kye 1
15 . . . . . . . . . . . . . . . . 3.981 3.351 4.611 . . . 14 . H6 . 14 . C6 parsed_2kye 1
16 . . . . . . . . . . . . . . . . 6.135 5.505 6.765 . . . 15 . H6 . 15 . C6 parsed_2kye 1
17 . . . . . . . . . . . . . . . . 1.978 1.348 2.608 . . . 15 . H5 . 15 . C5 parsed_2kye 1
18 . . . . . . . . . . . . . . . . -2.888 -3.536 -2.240 . . . 2 . H1' . 2 . C1' parsed_2kye 1
19 . . . . . . . . . . . . . . . . 0.311 -0.337 0.959 . . . 3 . H1' . 3 . C1' parsed_2kye 1
20 . . . . . . . . . . . . . . . . 4.455 3.807 5.103 . . . 4 . H1' . 4 . C1' parsed_2kye 1
21 . . . . . . . . . . . . . . . . 5.789 5.141 6.437 . . . 5 . H1' . 5 . C1' parsed_2kye 1
22 . . . . . . . . . . . . . . . . -4.973 -5.621 -4.325 . . . 8 . H1' . 8 . C1' parsed_2kye 1
23 . . . . . . . . . . . . . . . . 0.803 0.155 1.451 . . . 9 . H1' . 9 . C1' parsed_2kye 1
24 . . . . . . . . . . . . . . . . -9.454 -10.102 -8.806 . . . 11 . H1' . 11 . C1' parsed_2kye 1
25 . . . . . . . . . . . . . . . . 0.401 -0.247 1.049 . . . 13 . H1' . 13 . C1' parsed_2kye 1
26 . . . . . . . . . . . . . . . . 7.641 6.993 8.289 . . . 14 . H1' . 14 . C1' parsed_2kye 1
27 . . . . . . . . . . . . . . . . 5.815 5.167 6.463 . . . 15 . H1' . 15 . C1' parsed_2kye 1
stop_
loop_
_RDC_constraint_comment_org.ID
_RDC_constraint_comment_org.Comment_text
_RDC_constraint_comment_org.Comment_begin_line
_RDC_constraint_comment_org.Comment_begin_column
_RDC_constraint_comment_org.Comment_end_line
_RDC_constraint_comment_org.Comment_end_column
_RDC_constraint_comment_org.Entry_ID
_RDC_constraint_comment_org.RDC_constraint_list_ID
1 "Residual dipolar coupling restraints" 1 1 1 39 parsed_2kye 1
stop_
save_
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