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 |
|
|
48170 |
2i5o   |
15160 | cing | 2-parsed | STAR | dipolar coupling | 45 |
data_2i5o_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2i5o
_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_2i5o 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2i5o
_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 2i5o "Master copy" parsed_2i5o
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2i5o
_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 2i5o.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2i5o 1
1 2i5o.mr . . XPLOR/CNS 2 distance NOE simple 737 parsed_2i5o 1
1 2i5o.mr . . XPLOR/CNS 3 distance "general distance" simple 6 parsed_2i5o 1
1 2i5o.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 30 parsed_2i5o 1
1 2i5o.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 82 parsed_2i5o 1
1 2i5o.mr . . XPLOR/CNS 6 "dipolar coupling" "Not applicable" "Not applicable" 45 parsed_2i5o 1
1 2i5o.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2i5o 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_6
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2i5o
_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 . . . . . . . . . . . . . . . . 7.50 . . . . . 9 . N . 9 . HN parsed_2i5o 1
2 . . . . . . . . . . . . . . . . 4.00 . . . . . 10 . N . 10 . HN parsed_2i5o 1
3 . . . . . . . . . . . . . . . . -14.90 . . . . . 12 . N . 12 . HN parsed_2i5o 1
4 . . . . . . . . . . . . . . . . -9.70 . . . . . 13 . N . 13 . HN parsed_2i5o 1
5 . . . . . . . . . . . . . . . . -0.10 . . . . . 14 . N . 14 . HN parsed_2i5o 1
6 . . . . . . . . . . . . . . . . 0.00 . . . . . 15 . N . 15 . HN parsed_2i5o 1
7 . . . . . . . . . . . . . . . . -15.60 . . . . . 16 . N . 16 . HN parsed_2i5o 1
8 . . . . . . . . . . . . . . . . 14.00 . . . . . 17 . N . 17 . HN parsed_2i5o 1
9 . . . . . . . . . . . . . . . . -9.80 . . . . . 19 . N . 19 . HN parsed_2i5o 1
10 . . . . . . . . . . . . . . . . 14.60 . . . . . 21 . N . 21 . HN parsed_2i5o 1
11 . . . . . . . . . . . . . . . . 5.20 . . . . . 22 . N . 22 . HN parsed_2i5o 1
12 . . . . . . . . . . . . . . . . 4.40 . . . . . 23 . N . 23 . HN parsed_2i5o 1
13 . . . . . . . . . . . . . . . . 17.00 . . . . . 24 . N . 24 . HN parsed_2i5o 1
14 . . . . . . . . . . . . . . . . 16.40 . . . . . 26 . N . 26 . HN parsed_2i5o 1
15 . . . . . . . . . . . . . . . . 15.80 . . . . . 27 . N . 27 . HN parsed_2i5o 1
16 . . . . . . . . . . . . . . . . 10.20 . . . . . 28 . N . 28 . HN parsed_2i5o 1
17 . . . . . . . . . . . . . . . . 12.70 . . . . . 29 . N . 29 . HN parsed_2i5o 1
18 . . . . . . . . . . . . . . . . 19.30 . . . . . 30 . N . 30 . HN parsed_2i5o 1
19 . . . . . . . . . . . . . . . . 14.50 . . . . . 31 . N . 31 . HN parsed_2i5o 1
20 . . . . . . . . . . . . . . . . 11.90 . . . . . 32 . N . 32 . HN parsed_2i5o 1
21 . . . . . . . . . . . . . . . . 14.90 . . . . . 33 . N . 33 . HN parsed_2i5o 1
22 . . . . . . . . . . . . . . . . 16.90 . . . . . 34 . N . 34 . HN parsed_2i5o 1
23 . . . . . . . . . . . . . . . . 8.50 . . . . . 35 . N . 35 . HN parsed_2i5o 1
24 . . . . . . . . . . . . . . . . 6.60 . . . . . 36 . N . 36 . HN parsed_2i5o 1
25 . . . . . . . . . . . . . . . . -7.97 . . . . . 8 . CA . 8 . HA parsed_2i5o 1
26 . . . . . . . . . . . . . . . . 4.88 . . . . . 9 . CA . 9 . HA parsed_2i5o 1
27 . . . . . . . . . . . . . . . . -14.69 . . . . . 11 . CA . 11 . HA parsed_2i5o 1
28 . . . . . . . . . . . . . . . . -13.79 . . . . . 12 . CA . 12 . HA parsed_2i5o 1
29 . . . . . . . . . . . . . . . . 3.73 . . . . . 13 . CA . 13 . HA parsed_2i5o 1
30 . . . . . . . . . . . . . . . . -2.14 . . . . . 14 . CA . 14 . HA parsed_2i5o 1
31 . . . . . . . . . . . . . . . . -14.99 . . . . . 18 . CA . 18 . HA parsed_2i5o 1
32 . . . . . . . . . . . . . . . . 14.64 . . . . . 20 . CA . 20 . HA parsed_2i5o 1
33 . . . . . . . . . . . . . . . . 6.47 . . . . . 21 . CA . 21 . HA parsed_2i5o 1
34 . . . . . . . . . . . . . . . . -16.58 . . . . . 22 . CA . 22 . HA parsed_2i5o 1
35 . . . . . . . . . . . . . . . . 0.30 . . . . . 23 . CA . 23 . HA parsed_2i5o 1
36 . . . . . . . . . . . . . . . . 9.31 . . . . . 26 . CA . 26 . HA parsed_2i5o 1
37 . . . . . . . . . . . . . . . . -7.42 . . . . . 27 . CA . 27 . HA parsed_2i5o 1
38 . . . . . . . . . . . . . . . . -6.37 . . . . . 28 . CA . 28 . HA parsed_2i5o 1
39 . . . . . . . . . . . . . . . . -3.14 . . . . . 29 . CA . 29 . HA parsed_2i5o 1
40 . . . . . . . . . . . . . . . . 9.06 . . . . . 30 . CA . 30 . HA parsed_2i5o 1
41 . . . . . . . . . . . . . . . . -10.71 . . . . . 31 . CA . 31 . HA parsed_2i5o 1
42 . . . . . . . . . . . . . . . . -4.18 . . . . . 32 . CA . 32 . HA parsed_2i5o 1
43 . . . . . . . . . . . . . . . . 0.10 . . . . . 33 . CA . 33 . HA parsed_2i5o 1
44 . . . . . . . . . . . . . . . . -7.87 . . . . . 35 . CA . 35 . HA parsed_2i5o 1
45 . . . . . . . . . . . . . . . . -6.27 . . . . . 36 . CA . 36 . HA parsed_2i5o 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(HN), estimated error (3*sigma) of +/- 1.0 Hz" 2 1 2 51 parsed_2i5o 1
2
;
RDCs were converted with a scaling factor of -0.4980.
Error (3*sigma) was estimated to be +/- 2.0 Hz after conversion
;
173 1 174 66 parsed_2i5o 1
stop_
save_
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