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 |
|
|
501897 |
2l9r   |
17484 | cing | 2-parsed | STAR | dipolar coupling | 36 |
data_2l9r_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2l9r
_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_2l9r 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2l9r
_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 2l9r "Master copy" parsed_2l9r
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2l9r
_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 2l9r.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2l9r 1
1 2l9r.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 70 parsed_2l9r 1
1 2l9r.mr . . XPLOR/CNS 3 distance NOE simple 1534 parsed_2l9r 1
1 2l9r.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 70 parsed_2l9r 1
1 2l9r.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 38 parsed_2l9r 1
1 2l9r.mr . . DYANA/DIANA 6 unknown "Not applicable" "Not applicable" 0 parsed_2l9r 1
1 2l9r.mr . . DYANA/DIANA 7 "dipolar coupling" "Not applicable" "Not applicable" 36 parsed_2l9r 1
1 2l9r.mr . . DYANA/DIANA 8 unknown "Not applicable" "Not applicable" 0 parsed_2l9r 1
1 2l9r.mr . . DYANA/DIANA 9 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2l9r 1
1 2l9r.mr . . "MR format" 10 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2l9r 1
stop_
save_
save_DYANA/DIANA_dipolar_coupling_7
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2l9r
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 7
_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 . . . . . . . . . . . . . . . . 3.745 . . 4.000 . . 11 MET H . 11 MET N parsed_2l9r 1
2 . . . . . . . . . . . . . . . . 3.067 . . 4.000 . . 12 SER H . 12 SER N parsed_2l9r 1
3 . . . . . . . . . . . . . . . . 5.121 . . 4.000 . . 14 THR H . 14 THR N parsed_2l9r 1
4 . . . . . . . . . . . . . . . . -6.559 . . 4.000 . . 15 GLN H . 15 GLN N parsed_2l9r 1
5 . . . . . . . . . . . . . . . . -8.342 . . 4.000 . . 16 VAL H . 16 VAL N parsed_2l9r 1
6 . . . . . . . . . . . . . . . . -6.693 . . 4.000 . . 19 LEU H . 19 LEU N parsed_2l9r 1
7 . . . . . . . . . . . . . . . . -8.418 . . 4.000 . . 20 GLU H . 20 GLU N parsed_2l9r 1
8 . . . . . . . . . . . . . . . . 6.752 . . 4.000 . . 21 ARG H . 21 ARG N parsed_2l9r 1
9 . . . . . . . . . . . . . . . . -5.493 . . 4.000 . . 23 PHE H . 23 PHE N parsed_2l9r 1
10 . . . . . . . . . . . . . . . . 2.451 . . 4.000 . . 24 SER H . 24 SER N parsed_2l9r 1
11 . . . . . . . . . . . . . . . . 18.333 . . 4.000 . . 25 HIS H . 25 HIS N parsed_2l9r 1
12 . . . . . . . . . . . . . . . . 2.508 . . 4.000 . . 27 LYS H . 27 LYS N parsed_2l9r 1
13 . . . . . . . . . . . . . . . . -7.106 . . 4.000 . . 29 LEU H . 29 LEU N parsed_2l9r 1
14 . . . . . . . . . . . . . . . . -15.455 . . 4.000 . . 30 SER H . 30 SER N parsed_2l9r 1
15 . . . . . . . . . . . . . . . . -12.780 . . 4.000 . . 31 ALA H . 31 ALA N parsed_2l9r 1
16 . . . . . . . . . . . . . . . . -1.454 . . 4.000 . . 33 GLU H . 33 GLU N parsed_2l9r 1
17 . . . . . . . . . . . . . . . . -15.444 . . 4.000 . . 34 ARG H . 34 ARG N parsed_2l9r 1
18 . . . . . . . . . . . . . . . . -11.862 . . 4.000 . . 35 ALA H . 35 ALA N parsed_2l9r 1
19 . . . . . . . . . . . . . . . . -13.189 . . 4.000 . . 38 ALA H . 38 ALA N parsed_2l9r 1
20 . . . . . . . . . . . . . . . . -10.342 . . 4.000 . . 39 LYS H . 39 LYS N parsed_2l9r 1
21 . . . . . . . . . . . . . . . . -2.469 . . 4.000 . . 40 ASN H . 40 ASN N parsed_2l9r 1
22 . . . . . . . . . . . . . . . . -14.355 . . 4.000 . . 41 LEU H . 41 LEU N parsed_2l9r 1
23 . . . . . . . . . . . . . . . . -6.455 . . 4.000 . . 42 LYS H . 42 LYS N parsed_2l9r 1
24 . . . . . . . . . . . . . . . . -7.400 . . 4.000 . . 43 LEU H . 43 LEU N parsed_2l9r 1
25 . . . . . . . . . . . . . . . . 6.804 . . 4.000 . . 44 THR H . 44 THR N parsed_2l9r 1
26 . . . . . . . . . . . . . . . . 22.379 . . 4.000 . . 45 GLU H . 45 GLU N parsed_2l9r 1
27 . . . . . . . . . . . . . . . . 23.077 . . 4.000 . . 46 THR H . 46 THR N parsed_2l9r 1
28 . . . . . . . . . . . . . . . . 23.479 . . 4.000 . . 48 VAL H . 48 VAL N parsed_2l9r 1
29 . . . . . . . . . . . . . . . . 24.813 . . 4.000 . . 50 ILE H . 50 ILE N parsed_2l9r 1
30 . . . . . . . . . . . . . . . . 26.060 . . 4.000 . . 51 TRP H . 51 TRP N parsed_2l9r 1
31 . . . . . . . . . . . . . . . . 26.215 . . 4.000 . . 52 PHE H . 52 PHE N parsed_2l9r 1
32 . . . . . . . . . . . . . . . . 26.665 . . 4.000 . . 54 ASN H . 54 ASN N parsed_2l9r 1
33 . . . . . . . . . . . . . . . . 25.658 . . 4.000 . . 55 ARG H . 55 ARG N parsed_2l9r 1
34 . . . . . . . . . . . . . . . . 17.343 . . 4.000 . . 56 ARG H . 56 ARG N parsed_2l9r 1
35 . . . . . . . . . . . . . . . . 16.167 . . 4.000 . . 58 LYS H . 58 LYS N parsed_2l9r 1
36 . . . . . . . . . . . . . . . . 2.004 . . 4.000 . . 59 THR H . 59 THR N parsed_2l9r 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 "First atom Second atom RDC Error Weight Orientation" 1 1 1 72 parsed_2l9r 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 1 2 63 2 64 parsed_2l9r 1
2 1 3 63 3 64 parsed_2l9r 1
3 1 4 63 4 64 parsed_2l9r 1
4 1 5 63 5 64 parsed_2l9r 1
5 1 6 63 6 64 parsed_2l9r 1
6 1 7 63 7 64 parsed_2l9r 1
7 1 8 63 8 64 parsed_2l9r 1
8 1 9 63 9 64 parsed_2l9r 1
9 1 10 63 10 64 parsed_2l9r 1
10 1 11 63 11 64 parsed_2l9r 1
11 1 12 63 12 64 parsed_2l9r 1
12 1 13 63 13 64 parsed_2l9r 1
13 1 14 63 14 64 parsed_2l9r 1
14 1 15 63 15 64 parsed_2l9r 1
15 1 16 63 16 64 parsed_2l9r 1
16 1 17 63 17 64 parsed_2l9r 1
17 1 18 63 18 64 parsed_2l9r 1
18 1 19 63 19 64 parsed_2l9r 1
19 1 20 63 20 64 parsed_2l9r 1
20 1 21 63 21 64 parsed_2l9r 1
21 1 22 63 22 64 parsed_2l9r 1
22 1 23 63 23 64 parsed_2l9r 1
23 1 24 63 24 64 parsed_2l9r 1
24 1 25 63 25 64 parsed_2l9r 1
25 1 26 63 26 64 parsed_2l9r 1
26 1 27 63 27 64 parsed_2l9r 1
27 1 28 63 28 64 parsed_2l9r 1
28 1 29 63 29 64 parsed_2l9r 1
29 1 30 63 30 64 parsed_2l9r 1
30 1 31 63 31 64 parsed_2l9r 1
31 1 32 63 32 64 parsed_2l9r 1
32 1 33 63 33 64 parsed_2l9r 1
33 1 34 63 34 64 parsed_2l9r 1
34 1 35 63 35 64 parsed_2l9r 1
35 1 36 63 36 64 parsed_2l9r 1
36
;
1
# 60 LYS H 60 LYS N 0.541 4.000 1.000 1
# 61 ARG H 61 ARG N 1.783 4.000 1.000 1
# 62 LYS H 62 LYS N -3.544 4.000 1.000 1
# 63 GLN H 63 GLN N -2.539 4.000 1.000 1
# 64 LEU H 64 LEU N -1.533 4.000 1.000 1
# 65 SER H 65 SER N -1.378 4.000 1.000 1
# 67 GLU H 67 GLU N -0.625 4.000 1.000 1
# 68 LEU H 68 LEU N 0.009 4.000 1.000 1
# 69 GLY H 69 GLY N -0.038 4.000 1.000 1
;
37 63 46 65 parsed_2l9r 1
stop_
save_
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