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 |
|
|
610101 |
5iem   |
30026 | cing | 2-parsed | STAR | dipolar coupling | 44 |
data_5iem_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5iem
_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_5iem 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5iem
_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 5iem "Master copy" parsed_5iem
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5iem
_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 5iem.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5iem 1
1 5iem.mr . . XPLOR/CNS 2 distance NOE simple 762 parsed_5iem 1
1 5iem.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 483 parsed_5iem 1
1 5iem.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 118 parsed_5iem 1
1 5iem.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 44 parsed_5iem 1
1 5iem.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5iem 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_5
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_5iem
_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 . . . . . . . . . . . . . . . . 16.58 . . . . . 1 . C8 . 1 . H8 parsed_5iem 1
2 . . . . . . . . . . . . . . . . 24.33 . . . . . 2 . C8 . 2 . H8 parsed_5iem 1
3 . . . . . . . . . . . . . . . . 29.50 . . . . . 8 . C8 . 8 . H8 parsed_5iem 1
4 . . . . . . . . . . . . . . . . 35.02 . . . . . 23 . C8 . 23 . H8 parsed_5iem 1
5 . . . . . . . . . . . . . . . . 14.69 . . . . . 29 . C8 . 29 . H8 parsed_5iem 1
6 . . . . . . . . . . . . . . . . 35.00 . . . . . 34 . C8 . 34 . H8 parsed_5iem 1
7 . . . . . . . . . . . . . . . . 26.81 . . . . . 51 . C8 . 51 . H8 parsed_5iem 1
8 . . . . . . . . . . . . . . . . 26.13 . . . . . 52 . C8 . 52 . H8 parsed_5iem 1
9 . . . . . . . . . . . . . . . . 32.19 . . . . . 53 . C8 . 53 . H8 parsed_5iem 1
10 . . . . . . . . . . . . . . . . 21.11 . . . . . 27 . C6 . 27 . H6 parsed_5iem 1
11 . . . . . . . . . . . . . . . . 13.36 . . . . . 18 . C5 . 18 . H5 parsed_5iem 1
12 . . . . . . . . . . . . . . . . 9.9 . . . . . 27 . C5 . 27 . H5 parsed_5iem 1
13 . . . . . . . . . . . . . . . . 1.52 . . . . . 33 . C5 . 33 . H5 parsed_5iem 1
14 . . . . . . . . . . . . . . . . 9.77 . . . . . 17 . C1' . 17 . H1' parsed_5iem 1
15 . . . . . . . . . . . . . . . . 3.46 . . . . . 26 . C1' . 26 . H1' parsed_5iem 1
16 . . . . . . . . . . . . . . . . 13.24 . . . . . 27 . C1' . 27 . H1' parsed_5iem 1
17 . . . . . . . . . . . . . . . . 16.16 . . . . . 29 . C1' . 29 . H1' parsed_5iem 1
18 . . . . . . . . . . . . . . . . -4.12 . . . . . 33 . C1' . 33 . H1' parsed_5iem 1
19 . . . . . . . . . . . . . . . . 23.32 . . . . . 29 . C3' . 29 . H3' parsed_5iem 1
20 . . . . . . . . . . . . . . . . 9.7 . . . . . 27 . C2' . 27 . H2' parsed_5iem 1
21 . . . . . . . . . . . . . . . . -18.15 . . . . . 29 . C5' . 29 . H5' parsed_5iem 1
22 . . . . . . . . . . . . . . . . -39.06 . . . . . 30 . C5' . 30 . H5' parsed_5iem 1
23 . . . . . . . . . . . . . . . . 21.16 . . . . . 11 . C8 . 11 . H8 parsed_5iem 1
24 . . . . . . . . . . . . . . . . 14.68 . . . . . 47 . C8 . 47 . H8 parsed_5iem 1
25 . . . . . . . . . . . . . . . . 11.01 . . . . . 47 . C2 . 47 . H2 parsed_5iem 1
26 . . . . . . . . . . . . . . . . 15.81 . . . . . 2 . N1 . 2 . H1 parsed_5iem 1
27 . . . . . . . . . . . . . . . . 14.94 . . . . . 3 . N1 . 3 . H1 parsed_5iem 1
28 . . . . . . . . . . . . . . . . 14.70 . . . . . 5 . N3 . 5 . H3 parsed_5iem 1
29 . . . . . . . . . . . . . . . . 14.93 . . . . . 7 . N3 . 7 . H3 parsed_5iem 1
30 . . . . . . . . . . . . . . . . 15.71 . . . . . 8 . N1 . 8 . H1 parsed_5iem 1
31 . . . . . . . . . . . . . . . . 12.05 . . . . . 9 . N3 . 9 . H3 parsed_5iem 1
32 . . . . . . . . . . . . . . . . 11.62 . . . . . 19 . N1 . 19 . H1 parsed_5iem 1
33 . . . . . . . . . . . . . . . . 13.40 . . . . . 21 . N3 . 21 . H3 parsed_5iem 1
34 . . . . . . . . . . . . . . . . 11.35 . . . . . 29 . N1 . 29 . H1 parsed_5iem 1
35 . . . . . . . . . . . . . . . . 11.64 . . . . . 30 . N1 . 30 . H1 parsed_5iem 1
36 . . . . . . . . . . . . . . . . 11.13 . . . . . 31 . N1 . 31 . H1 parsed_5iem 1
37 . . . . . . . . . . . . . . . . 14.9 . . . . . 34 . N1 . 34 . H1 parsed_5iem 1
38 . . . . . . . . . . . . . . . . 9.14 . . . . . 36 . N3 . 36 . H3 parsed_5iem 1
39 . . . . . . . . . . . . . . . . 10.83 . . . . . 48 . N1 . 48 . H1 parsed_5iem 1
40 . . . . . . . . . . . . . . . . 14.44 . . . . . 49 . N1 . 49 . H1 parsed_5iem 1
41 . . . . . . . . . . . . . . . . 15.88 . . . . . 51 . N1 . 51 . H1 parsed_5iem 1
42 . . . . . . . . . . . . . . . . 14.86 . . . . . 52 . N1 . 52 . H1 parsed_5iem 1
43 . . . . . . . . . . . . . . . . 14.6 . . . . . 53 . N1 . 53 . H1 parsed_5iem 1
44 . . . . . . . . . . . . . . . . 14.84 . . . . . 54 . N3 . 54 . H3 parsed_5iem 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 RDCs(CH) 1 1 3 10 parsed_5iem 1
2 RDCs(NH) 29 1 32 10 parsed_5iem 1
stop_
save_
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