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 |
|
|
526878 |
2l8i   |
17409 | cing | 2-parsed | STAR | dipolar coupling | 39 |
data_2l8i_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2l8i
_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_2l8i 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2l8i
_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 2l8i "Master copy" parsed_2l8i
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2l8i
_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 2l8i.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2l8i 1
1 2l8i.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 136 parsed_2l8i 1
1 2l8i.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 78 parsed_2l8i 1
1 2l8i.mr . . XPLOR/CNS 4 distance NOE simple 351 parsed_2l8i 1
1 2l8i.mr . . XPLOR/CNS 5 planarity "Not applicable" "Not applicable" 0 parsed_2l8i 1
1 2l8i.mr . . XPLOR/CNS 6 "dipolar coupling" "Not applicable" "Not applicable" 39 parsed_2l8i 1
1 2l8i.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2l8i 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_6
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2l8i
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 6
_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 . . . . . . . . . . . . . . . . 36.600 36.000 37.200 . . . 6 . C2 . 6 . H2 parsed_2l8i 1
2 . . . . . . . . . . . . . . . . 30.000 29.400 30.600 . . . 7 . C2 . 7 . H2 parsed_2l8i 1
3 . . . . . . . . . . . . . . . . 28.200 27.600 28.800 . . . 8 . C2 . 8 . H2 parsed_2l8i 1
4 . . . . . . . . . . . . . . . . 21.000 20.400 21.600 . . . 16 . C2 . 16 . H2 parsed_2l8i 1
5 . . . . . . . . . . . . . . . . 36.000 35.400 36.600 . . . 24 . C2 . 24 . H2 parsed_2l8i 1
6 . . . . . . . . . . . . . . . . 24.000 23.400 24.600 . . . 5 . C5 . 5 . H5 parsed_2l8i 1
7 . . . . . . . . . . . . . . . . 24.000 23.400 24.600 . . . 23 . C5 . 23 . H5 parsed_2l8i 1
8 . . . . . . . . . . . . . . . . 5.400 4.800 6.000 . . . 3 . C1' . 3 . H1' parsed_2l8i 1
9 . . . . . . . . . . . . . . . . 9.600 9.000 10.200 . . . 5 . C1' . 5 . H1' parsed_2l8i 1
10 . . . . . . . . . . . . . . . . 7.200 6.600 7.800 . . . 11 . C1' . 11 . H1' parsed_2l8i 1
11 . . . . . . . . . . . . . . . . 20.400 19.800 21.000 . . . 19 . C1' . 19 . H1' parsed_2l8i 1
12 . . . . . . . . . . . . . . . . -15.600 -16.200 -15.000 . . . 20 . C1' . 20 . H1' parsed_2l8i 1
13 . . . . . . . . . . . . . . . . 20.400 19.800 21.000 . . . 21 . C1' . 21 . H1' parsed_2l8i 1
14 . . . . . . . . . . . . . . . . 13.200 12.600 13.800 . . . 23 . C1' . 23 . H1' parsed_2l8i 1
15 . . . . . . . . . . . . . . . . 31.800 31.200 32.400 . . . 3 . C6 . 3 . H6 parsed_2l8i 1
16 . . . . . . . . . . . . . . . . 36.000 35.400 36.600 . . . 5 . C6 . 5 . H6 parsed_2l8i 1
17 . . . . . . . . . . . . . . . . 37.800 37.200 38.400 . . . 9 . C6 . 9 . H6 parsed_2l8i 1
18 . . . . . . . . . . . . . . . . 26.400 25.800 27.000 . . . 11 . C6 . 11 . H6 parsed_2l8i 1
19 . . . . . . . . . . . . . . . . 38.400 37.800 39.000 . . . 17 . C6 . 17 . H6 parsed_2l8i 1
20 . . . . . . . . . . . . . . . . 28.800 28.200 29.400 . . . 19 . C6 . 19 . H6 parsed_2l8i 1
21 . . . . . . . . . . . . . . . . 25.800 25.200 26.400 . . . 20 . C6 . 20 . H6 parsed_2l8i 1
22 . . . . . . . . . . . . . . . . 28.200 27.600 28.800 . . . 21 . C6 . 21 . H6 parsed_2l8i 1
23 . . . . . . . . . . . . . . . . 34.800 34.200 35.400 . . . 23 . C6 . 23 . H6 parsed_2l8i 1
24 . . . . . . . . . . . . . . . . 37.200 36.600 37.800 . . . 4 . C8 . 4 . H8 parsed_2l8i 1
25 . . . . . . . . . . . . . . . . 31.800 31.200 32.400 . . . 6 . C8 . 6 . H8 parsed_2l8i 1
26 . . . . . . . . . . . . . . . . 34.800 34.200 35.400 . . . 7 . C8 . 7 . H8 parsed_2l8i 1
27 . . . . . . . . . . . . . . . . 34.800 34.200 35.400 . . . 8 . C8 . 8 . H8 parsed_2l8i 1
28 . . . . . . . . . . . . . . . . 25.200 24.600 25.800 . . . 16 . C8 . 16 . H8 parsed_2l8i 1
29 . . . . . . . . . . . . . . . . 36.000 35.400 36.600 . . . 18 . C8 . 18 . H8 parsed_2l8i 1
30 . . . . . . . . . . . . . . . . 37.200 36.600 37.800 . . . 22 . C8 . 22 . H8 parsed_2l8i 1
31 . . . . . . . . . . . . . . . . 34.800 34.200 35.400 . . . 24 . C8 . 24 . H8 parsed_2l8i 1
32 . . . . . . . . . . . . . . . . -8.400 -9.000 -7.800 . . . 20 . C1a . 20 . H1b parsed_2l8i 1
33 . . . . . . . . . . . . . . . . 6.600 6.000 7.200 . . . 20 . C3a . 20 . H3a parsed_2l8i 1
34 . . . . . . . . . . . . . . . . -5.400 -6.000 -4.800 . . . 19 . C2' . 19 . H2'' parsed_2l8i 1
35 . . . . . . . . . . . . . . . . -9.600 -11.500 -7.700 . . . 3 . C5 . 3 . C7 parsed_2l8i 1
36 . . . . . . . . . . . . . . . . -14.400 -16.300 -12.500 . . . 11 . C5 . 11 . C7 parsed_2l8i 1
37 . . . . . . . . . . . . . . . . -12.600 -14.500 -10.700 . . . 19 . C5 . 19 . C7 parsed_2l8i 1
38 . . . . . . . . . . . . . . . . -15.600 -17.500 -13.700 . . . 20 . C5 . 20 . C7 parsed_2l8i 1
39 . . . . . . . . . . . . . . . . -7.800 -9.700 -5.900 . . . 21 . C5 . 21 . C7 parsed_2l8i 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 "RDC table" 1 1 1 12 parsed_2l8i 1
2 "RDC table" 274 1 274 12 parsed_2l8i 1
stop_
save_
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