NMR Restraints Grid
| |
NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
475078 |
2ktz   |
cing | 2-parsed | STAR | dipolar coupling | 51 |
data_2ktz_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2ktz
_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_2ktz 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2ktz
_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 2ktz "Master copy" parsed_2ktz
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2ktz
_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 2ktz.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2ktz 1
1 2ktz.mr . . AMBER 2 distance "hydrogen bond" simple 0 parsed_2ktz 1
1 2ktz.mr . . AMBER 3 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2ktz 1
1 2ktz.mr . . AMBER 4 distance "general distance" simple 0 parsed_2ktz 1
1 2ktz.mr . . AMBER 5 distance NOE simple 0 parsed_2ktz 1
1 2ktz.mr . . AMBER 6 "dipolar coupling" "Not applicable" "Not applicable" 51 parsed_2ktz 1
1 2ktz.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2ktz 1
stop_
save_
save_AMBER_dipolar_coupling_6
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2ktz
_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 . . . . . . . . . . . . . . . . . 22.60 22.60 . . 2ktz_ambr001 1 G C8 2ktz_ambr001 1 G H8 parsed_2ktz 1
2 . . . . . . . . . . . . . . . . . -11.60 -11.60 . . 2ktz_ambr001 1 G C1' 2ktz_ambr001 1 G H1' parsed_2ktz 1
3 . . . . . . . . . . . . . . . . . 21.60 21.60 . . 2ktz_ambr001 2 G C8 2ktz_ambr001 2 G H8 parsed_2ktz 1
4 . . . . . . . . . . . . . . . . . 10.90 10.90 . . 2ktz_ambr001 4 G C8 2ktz_ambr001 4 G H8 parsed_2ktz 1
5 . . . . . . . . . . . . . . . . . -3.60 -3.60 . . 2ktz_ambr001 4 G C1' 2ktz_ambr001 4 G H1' parsed_2ktz 1
6 . . . . . . . . . . . . . . . . . 21.80 21.80 . . 2ktz_ambr001 5 G C8 2ktz_ambr001 5 G H8 parsed_2ktz 1
7 . . . . . . . . . . . . . . . . . 9.40 9.40 . . 2ktz_ambr001 11 C C6 2ktz_ambr001 11 C H6 parsed_2ktz 1
8 . . . . . . . . . . . . . . . . . 12.84 12.84 . . 2ktz_ambr001 13 G C8 2ktz_ambr001 13 G H8 parsed_2ktz 1
9 . . . . . . . . . . . . . . . . . 18.51 18.51 . . 2ktz_ambr001 18 C C6 2ktz_ambr001 18 C H6 parsed_2ktz 1
10 . . . . . . . . . . . . . . . . . 12.56 12.56 . . 2ktz_ambr001 19 C C6 2ktz_ambr001 19 C H6 parsed_2ktz 1
11 . . . . . . . . . . . . . . . . . 12.24 12.24 . . 2ktz_ambr001 22 C C6 2ktz_ambr001 22 C H6 parsed_2ktz 1
12 . . . . . . . . . . . . . . . . . 19.90 19.90 . . 2ktz_ambr001 23 G C8 2ktz_ambr001 23 G H8 parsed_2ktz 1
13 . . . . . . . . . . . . . . . . . 21.40 21.40 . . 2ktz_ambr001 23 G C1' 2ktz_ambr001 23 G H1' parsed_2ktz 1
14 . . . . . . . . . . . . . . . . . 9.70 9.70 . . 2ktz_ambr001 24 G C8 2ktz_ambr001 24 G H8 parsed_2ktz 1
15 . . . . . . . . . . . . . . . . . 15.00 15.00 . . 2ktz_ambr001 25 G C8 2ktz_ambr001 25 G H8 parsed_2ktz 1
16 . . . . . . . . . . . . . . . . . 32.10 32.10 . . 2ktz_ambr001 28 G C8 2ktz_ambr001 28 G H8 parsed_2ktz 1
17 . . . . . . . . . . . . . . . . . 26.80 26.80 . . 2ktz_ambr001 30 G C8 2ktz_ambr001 30 G H8 parsed_2ktz 1
18 . . . . . . . . . . . . . . . . . -6.90 -6.90 . . 2ktz_ambr001 30 G C1' 2ktz_ambr001 30 G H1' parsed_2ktz 1
19 . . . . . . . . . . . . . . . . . 11.10 11.10 . . 2ktz_ambr001 33 G C8 2ktz_ambr001 33 G H8 parsed_2ktz 1
20 . . . . . . . . . . . . . . . . . 22.05 22.05 . . 2ktz_ambr001 3 A C2 2ktz_ambr001 3 A H2 parsed_2ktz 1
21 . . . . . . . . . . . . . . . . . 20.10 20.10 . . 2ktz_ambr001 6 A C2 2ktz_ambr001 6 A H2 parsed_2ktz 1
22 . . . . . . . . . . . . . . . . . 4.00 4.00 . . 2ktz_ambr001 7 A C2 2ktz_ambr001 7 A H2 parsed_2ktz 1
23 . . . . . . . . . . . . . . . . . 18.19 18.19 . . 2ktz_ambr001 10 A C2 2ktz_ambr001 10 A H2 parsed_2ktz 1
24 . . . . . . . . . . . . . . . . . 8.40 8.40 . . 2ktz_ambr001 7 A C8 2ktz_ambr001 7 A H8 parsed_2ktz 1
25 . . . . . . . . . . . . . . . . . 11.17 11.17 . . 2ktz_ambr001 9 U C6 2ktz_ambr001 9 U H6 parsed_2ktz 1
26 . . . . . . . . . . . . . . . . . 22.45 22.45 . . 2ktz_ambr001 10 A C8 2ktz_ambr001 10 A H8 parsed_2ktz 1
27 . . . . . . . . . . . . . . . . . 17.21 17.21 . . 2ktz_ambr001 12 U C6 2ktz_ambr001 12 U H6 parsed_2ktz 1
28 . . . . . . . . . . . . . . . . . 30.16 30.16 . . 2ktz_ambr001 16 U C6 2ktz_ambr001 16 U H6 parsed_2ktz 1
29 . . . . . . . . . . . . . . . . . 25.93 25.93 . . 2ktz_ambr001 17 U C6 2ktz_ambr001 17 U H6 parsed_2ktz 1
30 . . . . . . . . . . . . . . . . . 19.70 19.70 . . 2ktz_ambr001 21 U C6 2ktz_ambr001 21 U H6 parsed_2ktz 1
31 . . . . . . . . . . . . . . . . . 4.10 4.10 . . 2ktz_ambr001 29 U C6 2ktz_ambr001 29 U H6 parsed_2ktz 1
32 . . . . . . . . . . . . . . . . . 8.40 8.40 . . 2ktz_ambr001 32 A C8 2ktz_ambr001 32 A H8 parsed_2ktz 1
33 . . . . . . . . . . . . . . . . . 12.32 12.32 . . 2ktz_ambr001 36 U C6 2ktz_ambr001 36 U H6 parsed_2ktz 1
34 . . . . . . . . . . . . . . . . . -6.92 -6.92 . . 2ktz_ambr001 3 A C1' 2ktz_ambr001 3 A H1' parsed_2ktz 1
35 . . . . . . . . . . . . . . . . . -12.60 -12.60 . . 2ktz_ambr001 6 A C1' 2ktz_ambr001 6 A H1' parsed_2ktz 1
36 . . . . . . . . . . . . . . . . . -2.92 -2.92 . . 2ktz_ambr001 7 A C1' 2ktz_ambr001 7 A H1' parsed_2ktz 1
37 . . . . . . . . . . . . . . . . . -2.22 -2.22 . . 2ktz_ambr001 9 U C1' 2ktz_ambr001 9 U H1' parsed_2ktz 1
38 . . . . . . . . . . . . . . . . . -8.52 -8.52 . . 2ktz_ambr001 10 A C1' 2ktz_ambr001 10 A H1' parsed_2ktz 1
39 . . . . . . . . . . . . . . . . . -20.60 -20.60 . . 2ktz_ambr001 20 U C1' 2ktz_ambr001 20 U H1' parsed_2ktz 1
40 . . . . . . . . . . . . . . . . . 18.67 18.67 . . 2ktz_ambr001 21 U C1' 2ktz_ambr001 21 U H1' parsed_2ktz 1
41 . . . . . . . . . . . . . . . . . 32.88 32.88 . . 2ktz_ambr001 18 C C5 2ktz_ambr001 18 C H5 parsed_2ktz 1
42 . . . . . . . . . . . . . . . . . 15.78 15.78 . . 2ktz_ambr001 19 C C5 2ktz_ambr001 19 C H5 parsed_2ktz 1
43 . . . . . . . . . . . . . . . . . -25.9 -25.9 . . 2ktz_ambr001 22 C C5 2ktz_ambr001 22 C H5 parsed_2ktz 1
44 . . . . . . . . . . . . . . . . . 21.52 21.52 . . 2ktz_ambr001 27 C C5 2ktz_ambr001 27 C H5 parsed_2ktz 1
45 . . . . . . . . . . . . . . . . . 20.28 20.28 . . 2ktz_ambr001 31 C C5 2ktz_ambr001 31 C H5 parsed_2ktz 1
46 . . . . . . . . . . . . . . . . . 22.78 22.78 . . 2ktz_ambr001 37 C C5 2ktz_ambr001 37 C H5 parsed_2ktz 1
47 . . . . . . . . . . . . . . . . . 15.3 15.3 . . 2ktz_ambr001 38 C C5 2ktz_ambr001 38 C H5 parsed_2ktz 1
48 . . . . . . . . . . . . . . . . . 6.99 6.99 . . 2ktz_ambr001 21 U C5 2ktz_ambr001 21 U H5 parsed_2ktz 1
49 . . . . . . . . . . . . . . . . . 6.92 6.92 . . 2ktz_ambr001 26 U C5 2ktz_ambr001 26 U H5 parsed_2ktz 1
50 . . . . . . . . . . . . . . . . . 0.92 0.92 . . 2ktz_ambr001 29 U C5 2ktz_ambr001 29 U H5 parsed_2ktz 1
51 . . . . . . . . . . . . . . . . . 13.92 13.92 . . 2ktz_ambr001 36 U C5 2ktz_ambr001 36 U H5 parsed_2ktz 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
;
&align
ndip=51, dcut = -1.0, gigj = 51*7.84665, dwt = 51*0.05,
s11 = 34.122, s22 = -25.765, s12 = 26.156, s13 = -77.547, s23 = -17.371,
;
1 2 3 76 parsed_2ktz 1
2 / 56 2 56 2 parsed_2ktz 1
stop_
save_
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