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 |
|
|
36282 |
1naj   |
5671 | cing | 2-parsed | STAR | dipolar coupling | 22 |
data_1naj_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1naj
_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_1naj 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1naj
_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 1naj "Master copy" parsed_1naj
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1naj
_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 1naj.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1naj 1
1 1naj.mr . . XPLOR/CNS 2 distance NOE ambi 162 parsed_1naj 1
1 1naj.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 56 parsed_1naj 1
1 1naj.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 22 parsed_1naj 1
1 1naj.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 132 parsed_1naj 1
1 1naj.mr . . XPLOR/CNS 6 "dipolar coupling" "Not applicable" "Not applicable" 76 parsed_1naj 1
1 1naj.mr . . XPLOR/CNS 7 "dipolar coupling" "Not applicable" "Not applicable" 200 parsed_1naj 1
1 1naj.mr . . XPLOR/CNS 8 "dipolar coupling" "Not applicable" "Not applicable" 64 parsed_1naj 1
1 1naj.mr . . XPLOR/CNS 9 "dipolar coupling" "Not applicable" "Not applicable" 6 parsed_1naj 1
1 1naj.mr . . XPLOR/CNS 10 "dipolar coupling" "Not applicable" "Not applicable" 354 parsed_1naj 1
1 1naj.mr . . XPLOR/CNS 11 "dipolar coupling" "Not applicable" "Not applicable" 22 parsed_1naj 1
1 1naj.mr . . XPLOR/CNS 12 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_1naj 1
1 1naj.mr . . XPLOR/CNS 13 "chemical shift anisotropy" "Not applicable" "Not applicable" 0 parsed_1naj 1
1 1naj.mr . . XPLOR/CNS 14 "chemical shift anisotropy" "Not applicable" "Not applicable" 0 parsed_1naj 1
1 1naj.mr . . "MR format" 15 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1naj 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_11
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_1naj
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 11
_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 . . . . . . . . . . . . . . . . 1.28 1.2000 1.3600 . . . 1 . H3' . 2 . P parsed_1naj 1
2 . . . . . . . . . . . . . . . . 1.49 1.4100 1.5700 . . . 2 . H3' . 3 . P parsed_1naj 1
3 . . . . . . . . . . . . . . . . 1.94 1.8300 2.0500 . . . 3 . H3' . 4 . P parsed_1naj 1
4 . . . . . . . . . . . . . . . . 1.59 1.5000 1.6800 . . . 4 . H3' . 5 . P parsed_1naj 1
5 . . . . . . . . . . . . . . . . 1.58 1.4700 1.6900 . . . 5 . H3' . 6 . P parsed_1naj 1
6 . . . . . . . . . . . . . . . . 1.14 1.0100 1.2700 . . . 6 . H3' . 7 . P parsed_1naj 1
7 . . . . . . . . . . . . . . . . 0.89 0.7500 1.0300 . . . 7 . H3' . 8 . P parsed_1naj 1
8 . . . . . . . . . . . . . . . . 0.31 0.1800 0.4400 . . . 8 . H3' . 9 . P parsed_1naj 1
9 . . . . . . . . . . . . . . . . -0.33 -0.4500 -0.2100 . . . 9 . H3' . 10 . P parsed_1naj 1
10 . . . . . . . . . . . . . . . . -0.28 -0.3700 -0.1900 . . . 10 . H3' . 11 . P parsed_1naj 1
11 . . . . . . . . . . . . . . . . 0.25 0.1600 0.3400 . . . 11 . H3' . 12 . P parsed_1naj 1
12 . . . . . . . . . . . . . . . . 1.28 1.2000 1.3600 . . . 13 . H3' . 14 . P parsed_1naj 1
13 . . . . . . . . . . . . . . . . 1.49 1.4100 1.5700 . . . 14 . H3' . 15 . P parsed_1naj 1
14 . . . . . . . . . . . . . . . . 1.94 1.8300 2.0500 . . . 15 . H3' . 16 . P parsed_1naj 1
15 . . . . . . . . . . . . . . . . 1.59 1.5000 1.6800 . . . 16 . H3' . 17 . P parsed_1naj 1
16 . . . . . . . . . . . . . . . . 1.58 1.4700 1.6900 . . . 17 . H3' . 18 . P parsed_1naj 1
17 . . . . . . . . . . . . . . . . 1.14 1.0100 1.2700 . . . 18 . H3' . 19 . P parsed_1naj 1
18 . . . . . . . . . . . . . . . . 0.89 0.7500 1.0300 . . . 19 . H3' . 20 . P parsed_1naj 1
19 . . . . . . . . . . . . . . . . 0.31 0.1800 0.4400 . . . 20 . H3' . 21 . P parsed_1naj 1
20 . . . . . . . . . . . . . . . . -0.33 -0.4500 -0.2100 . . . 21 . H3' . 22 . P parsed_1naj 1
21 . . . . . . . . . . . . . . . . -0.28 -0.3700 -0.1900 . . . 22 . H3' . 23 . P parsed_1naj 1
22 . . . . . . . . . . . . . . . . 0.25 0.1600 0.3400 . . . 23 . H3' . 24 . P parsed_1naj 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
;
*********************************************************************
H3'-P dipolar coupling measured in Pf1 medium
First strand
;
2 1 5 14 parsed_1naj 1
2
;
Second strand
H3'-P dipolar coupling
;
84 1 86 2 parsed_1naj 1
stop_
save_
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