NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
497075 |
2k21   |
cing | 2-parsed | STAR | dipolar coupling | 20 |
data_2k21_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2k21
_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_2k21 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2k21
_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 2k21 "Master copy" parsed_2k21
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2k21
_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 2k21.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2k21 1
1 2k21.mr . . XPLOR/CNS 2 distance "hydrogen bond" simple 72 parsed_2k21 1
1 2k21.mr . . XPLOR/CNS 3 "dipolar coupling" "Not applicable" "Not applicable" 20 parsed_2k21 1
1 2k21.mr . . XPLOR/CNS 4 distance PRE "Not applicable" 0 parsed_2k21 1
1 2k21.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2k21 1
1 2k21.mr . . XPLOR/CNS 6 distance NOE simple 0 parsed_2k21 1
1 2k21.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2k21 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_3
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2k21
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 3
_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 . . . . . . . . . . . . . . . . 2.63232 . . . . . 41 . N . 41 . HN parsed_2k21 1
2 . . . . . . . . . . . . . . . . 5.95209 . . . . . 47 . N . 47 . HN parsed_2k21 1
3 . . . . . . . . . . . . . . . . 13.9536 . . . . . 48 . N . 48 . HN parsed_2k21 1
4 . . . . . . . . . . . . . . . . 11.02422 . . . . . 49 . N . 49 . HN parsed_2k21 1
5 . . . . . . . . . . . . . . . . 8.69656 . . . . . 51 . N . 51 . HN parsed_2k21 1
6 . . . . . . . . . . . . . . . . 5.89639 . . . . . 52 . N . 52 . HN parsed_2k21 1
7 . . . . . . . . . . . . . . . . 13.1372 . . . . . 53 . N . 53 . HN parsed_2k21 1
8 . . . . . . . . . . . . . . . . 7.60091 . . . . . 54 . N . 54 . HN parsed_2k21 1
9 . . . . . . . . . . . . . . . . 0.888123 . . . . . 55 . N . 55 . HN parsed_2k21 1
10 . . . . . . . . . . . . . . . . 6.28857 . . . . . 57 . N . 57 . HN parsed_2k21 1
11 . . . . . . . . . . . . . . . . 11.1999 . . . . . 63 . N . 63 . HN parsed_2k21 1
12 . . . . . . . . . . . . . . . . 8.20023 . . . . . 64 . N . 64 . HN parsed_2k21 1
13 . . . . . . . . . . . . . . . . 10.1203 . . . . . 65 . N . 65 . HN parsed_2k21 1
14 . . . . . . . . . . . . . . . . 3.52883 . . . . . 67 . N . 67 . HN parsed_2k21 1
15 . . . . . . . . . . . . . . . . 6.24049 . . . . . 68 . N . 68 . HN parsed_2k21 1
16 . . . . . . . . . . . . . . . . 7.60854 . . . . . 69 . N . 69 . HN parsed_2k21 1
17 . . . . . . . . . . . . . . . . 10.0806 . . . . . 70 . N . 70 . HN parsed_2k21 1
18 . . . . . . . . . . . . . . . . 2.42402 . . . . . 72 . N . 72 . HN parsed_2k21 1
19 . . . . . . . . . . . . . . . . 1.8884 . . . . . 75 . N . 75 . HN parsed_2k21 1
20 . . . . . . . . . . . . . . . . 0.616112 . . . . . 76 . N . 76 . HN parsed_2k21 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 "remark N-H RDC of KCNE1 in neutral gel" 1 1 1 41 parsed_2k21 1
stop_
save_
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