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 |
|
|
40659 |
1w1n   |
6228 | cing | 2-parsed | STAR | dipolar coupling | 29 |
data_1w1n_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1w1n
_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_1w1n 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1w1n
_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 1w1n "Master copy" parsed_1w1n
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1w1n
_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 1w1n.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1w1n 1
1 1w1n.mr . . XPLOR/CNS 2 distance NOE simple 727 parsed_1w1n 1
1 1w1n.mr . . XPLOR/CNS 3 distance NOE ambi 97 parsed_1w1n 1
1 1w1n.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 46 parsed_1w1n 1
1 1w1n.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 29 parsed_1w1n 1
1 1w1n.mr . . XPLOR/CNS 6 distance "disulfide bond" simple 0 parsed_1w1n 1
1 1w1n.mr . . XPLOR/CNS 7 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1w1n 1
1 1w1n.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1w1n 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_5
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_1w1n
_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 . . . . . . . . . . . . . . . . 2.079502211 . . . . . 5 . N . 5 . HN parsed_1w1n 1
2 . . . . . . . . . . . . . . . . 2.160540028 . . . . . 7 . N . 7 . HN parsed_1w1n 1
3 . . . . . . . . . . . . . . . . 2.910560775 . . . . . 8 . N . 8 . HN parsed_1w1n 1
4 . . . . . . . . . . . . . . . . 0.194361617 . . . . . 9 . N . 9 . HN parsed_1w1n 1
5 . . . . . . . . . . . . . . . . 1.451005389 . . . . . 10 . N . 10 . HN parsed_1w1n 1
6 . . . . . . . . . . . . . . . . -1.021970983 . . . . . 11 . N . 11 . HN parsed_1w1n 1
7 . . . . . . . . . . . . . . . . -1.548968264 . . . . . 12 . N . 12 . HN parsed_1w1n 1
8 . . . . . . . . . . . . . . . . -4.265167422 . . . . . 13 . N . 13 . HN parsed_1w1n 1
9 . . . . . . . . . . . . . . . . 0.417275748 . . . . . 14 . N . 14 . HN parsed_1w1n 1
10 . . . . . . . . . . . . . . . . 2.687537309 . . . . . 15 . N . 15 . HN parsed_1w1n 1
11 . . . . . . . . . . . . . . . . 0.457718122 . . . . . 16 . N . 16 . HN parsed_1w1n 1
12 . . . . . . . . . . . . . . . . -0.859764147 . . . . . 17 . N . 17 . HN parsed_1w1n 1
13 . . . . . . . . . . . . . . . . 2.038841167 . . . . . 18 . N . 18 . HN parsed_1w1n 1
14 . . . . . . . . . . . . . . . . 9.072736784 . . . . . 19 . N . 19 . HN parsed_1w1n 1
15 . . . . . . . . . . . . . . . . -0.839586694 . . . . . 20 . N . 20 . HN parsed_1w1n 1
16 . . . . . . . . . . . . . . . . -5.299050132 . . . . . 21 . N . 21 . HN parsed_1w1n 1
17 . . . . . . . . . . . . . . . . 7.71452787 . . . . . 22 . N . 22 . HN parsed_1w1n 1
18 . . . . . . . . . . . . . . . . -3.292276278 . . . . . 23 . N . 23 . HN parsed_1w1n 1
19 . . . . . . . . . . . . . . . . -17.35993631 . . . . . 24 . N . 24 . HN parsed_1w1n 1
20 . . . . . . . . . . . . . . . . 2.54555166 . . . . . 25 . N . 25 . HN parsed_1w1n 1
21 . . . . . . . . . . . . . . . . 0.275333833 . . . . . 26 . N . 26 . HN parsed_1w1n 1
22 . . . . . . . . . . . . . . . . 10.06604592 . . . . . 27 . N . 27 . HN parsed_1w1n 1
23 . . . . . . . . . . . . . . . . 1.207695135 . . . . . 28 . N . 28 . HN parsed_1w1n 1
24 . . . . . . . . . . . . . . . . -1.994905861 . . . . . 29 . N . 29 . HN parsed_1w1n 1
25 . . . . . . . . . . . . . . . . 11.16035165 . . . . . 30 . N . 30 . HN parsed_1w1n 1
26 . . . . . . . . . . . . . . . . 2.748463274 . . . . . 32 . N . 32 . HN parsed_1w1n 1
27 . . . . . . . . . . . . . . . . -4.569250572 . . . . . 33 . N . 33 . HN parsed_1w1n 1
28 . . . . . . . . . . . . . . . . 9.943909717 . . . . . 29 . NE1 . 29 . HE1 parsed_1w1n 1
29 . . . . . . . . . . . . . . . . -4.367213638 . . . . . 33 . NE1 . 33 . HE1 parsed_1w1n 1
stop_
loop_
_RDC_constraint_parse_err.ID
_RDC_constraint_parse_err.Content
_RDC_constraint_parse_err.Begin_line
_RDC_constraint_parse_err.Begin_column
_RDC_constraint_parse_err.End_line
_RDC_constraint_parse_err.End_column
_RDC_constraint_parse_err.Entry_ID
_RDC_constraint_parse_err.RDC_constraint_list_ID
1
;
#
# Residual dipolar coupling restraints based on the measured D(N-H)
;
1 1 2 67 parsed_1w1n 1
2 "#" 178 1 178 1 parsed_1w1n 1
stop_
save_
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