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 |
|
|
144312 |
2kl3   |
16382 | cing | 2-parsed | STAR | dipolar coupling | 36 |
data_2kl3_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2kl3
_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_2kl3 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2kl3
_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 2kl3 "Master copy" parsed_2kl3
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2kl3
_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 2kl3.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kl3 1
1 2kl3.mr . . DYANA/DIANA 2 distance NOE simple 2802 parsed_2kl3 1
1 2kl3.mr . . DYANA/DIANA 3 distance "hydrogen bond" simple 220 parsed_2kl3 1
1 2kl3.mr . . DYANA/DIANA 4 "dihedral angle" "Not applicable" "Not applicable" 128 parsed_2kl3 1
1 2kl3.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_2kl3 1
1 2kl3.mr . . DYANA/DIANA 6 "dipolar coupling" "Not applicable" "Not applicable" 36 parsed_2kl3 1
1 2kl3.mr . . DYANA/DIANA 7 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2kl3 1
1 2kl3.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kl3 1
stop_
save_
save_DYANA/DIANA_dipolar_coupling_6
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2kl3
_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 . . . . . . . . . . . . . . . . 5.346 . . 1.500 . . 4 GLN H . 4 GLN N parsed_2kl3 1
2 . . . . . . . . . . . . . . . . 5.589 . . 1.500 . . 5 SER H . 5 SER N parsed_2kl3 1
3 . . . . . . . . . . . . . . . . 1.458 . . 1.500 . . 6 ASP H . 6 ASP N parsed_2kl3 1
4 . . . . . . . . . . . . . . . . 3.646 . . 1.500 . . 8 HIS H . 8 HIS N parsed_2kl3 1
5 . . . . . . . . . . . . . . . . -3.402 . . 1.500 . . 9 VAL H . 9 VAL N parsed_2kl3 1
6 . . . . . . . . . . . . . . . . 4.495 . . 1.500 . . 11 LYS H . 11 LYS N parsed_2kl3 1
7 . . . . . . . . . . . . . . . . 0.121 . . 1.500 . . 12 SER H . 12 SER N parsed_2kl3 1
8 . . . . . . . . . . . . . . . . -2.188 . . 1.500 . . 13 ARG H . 13 ARG N parsed_2kl3 1
9 . . . . . . . . . . . . . . . . 4.374 . . 1.500 . . 15 GLU H . 15 GLU N parsed_2kl3 1
10 . . . . . . . . . . . . . . . . -5.347 . . 1.500 . . 22 THR H . 22 THR N parsed_2kl3 1
11 . . . . . . . . . . . . . . . . 0.851 . . 1.500 . . 23 ILE H . 23 ILE N parsed_2kl3 1
12 . . . . . . . . . . . . . . . . 7.412 . . 1.500 . . 24 LEU H . 24 LEU N parsed_2kl3 1
13 . . . . . . . . . . . . . . . . 9.600 . . 1.500 . . 25 ASP H . 25 ASP N parsed_2kl3 1
14 . . . . . . . . . . . . . . . . -7.048 . . 1.500 . . 30 SER H . 30 SER N parsed_2kl3 1
15 . . . . . . . . . . . . . . . . -9.112 . . 1.500 . . 31 THR H . 31 THR N parsed_2kl3 1
16 . . . . . . . . . . . . . . . . -4.375 . . 1.500 . . 33 ASN H . 33 ASN N parsed_2kl3 1
17 . . . . . . . . . . . . . . . . -8.869 . . 1.500 . . 34 ASP H . 34 ASP N parsed_2kl3 1
18 . . . . . . . . . . . . . . . . -1.944 . . 1.500 . . 49 VAL H . 49 VAL N parsed_2kl3 1
19 . . . . . . . . . . . . . . . . -2.188 . . 1.500 . . 53 SER H . 53 SER N parsed_2kl3 1
20 . . . . . . . . . . . . . . . . -1.094 . . 1.500 . . 54 SER H . 54 SER N parsed_2kl3 1
21 . . . . . . . . . . . . . . . . 2.066 . . 1.500 . . 63 TYR H . 63 TYR N parsed_2kl3 1
22 . . . . . . . . . . . . . . . . -3.767 . . 1.500 . . 71 GLN H . 71 GLN N parsed_2kl3 1
23 . . . . . . . . . . . . . . . . 2.674 . . 1.500 . . 72 THR H . 72 THR N parsed_2kl3 1
24 . . . . . . . . . . . . . . . . 1.944 . . 1.500 . . 73 SER H . 73 SER N parsed_2kl3 1
25 . . . . . . . . . . . . . . . . -3.645 . . 1.500 . . 74 GLN H . 74 GLN N parsed_2kl3 1
26 . . . . . . . . . . . . . . . . -0.608 . . 1.500 . . 77 ASN H . 77 ASN N parsed_2kl3 1
27 . . . . . . . . . . . . . . . . -4.738 . . 1.500 . . 78 LEU H . 78 LEU N parsed_2kl3 1
28 . . . . . . . . . . . . . . . . 0.364 . . 1.500 . . 79 LEU H . 79 LEU N parsed_2kl3 1
29 . . . . . . . . . . . . . . . . -2.673 . . 1.500 . . 81 SER H . 81 SER N parsed_2kl3 1
30 . . . . . . . . . . . . . . . . 1.702 . . 1.500 . . 88 SER H . 88 SER N parsed_2kl3 1
31 . . . . . . . . . . . . . . . . -7.656 . . 1.500 . . 95 ALA H . 95 ALA N parsed_2kl3 1
32 . . . . . . . . . . . . . . . . -0.487 . . 1.500 . . 97 TRP H . 97 TRP N parsed_2kl3 1
33 . . . . . . . . . . . . . . . . -4.618 . . 1.500 . . 98 LYS H . 98 LYS N parsed_2kl3 1
34 . . . . . . . . . . . . . . . . -8.384 . . 1.500 . . 99 ALA H . 99 ALA N parsed_2kl3 1
35 . . . . . . . . . . . . . . . . -9.720 . . 1.500 . . 104 THR H . 104 THR N parsed_2kl3 1
36 . . . . . . . . . . . . . . . . -9.477 . . 1.500 . . 105 GLU H . 105 GLU N parsed_2kl3 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_2kl3 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_2kl3 1
2 1 3 63 3 64 parsed_2kl3 1
3 1 4 63 4 64 parsed_2kl3 1
4 1 5 63 5 64 parsed_2kl3 1
5 1 6 63 6 64 parsed_2kl3 1
6 1 7 63 7 64 parsed_2kl3 1
7 1 8 63 8 64 parsed_2kl3 1
8 1 9 63 9 64 parsed_2kl3 1
9 1 10 63 10 64 parsed_2kl3 1
10 1 11 63 11 64 parsed_2kl3 1
11 1 12 63 12 64 parsed_2kl3 1
12 1 13 63 13 64 parsed_2kl3 1
13 1 14 63 14 64 parsed_2kl3 1
14 1 15 63 15 64 parsed_2kl3 1
15 1 16 63 16 64 parsed_2kl3 1
16 1 17 63 17 64 parsed_2kl3 1
17 1 18 63 18 64 parsed_2kl3 1
18 1 19 63 19 64 parsed_2kl3 1
19 1 20 63 20 64 parsed_2kl3 1
20 1 21 63 21 64 parsed_2kl3 1
21 1 22 63 22 64 parsed_2kl3 1
22 1 23 63 23 64 parsed_2kl3 1
23 1 24 63 24 64 parsed_2kl3 1
24 1 25 63 25 64 parsed_2kl3 1
25 1 26 63 26 64 parsed_2kl3 1
26 1 27 63 27 64 parsed_2kl3 1
27 1 28 63 28 64 parsed_2kl3 1
28 1 29 63 29 64 parsed_2kl3 1
29 1 30 63 30 64 parsed_2kl3 1
30 1 31 63 31 64 parsed_2kl3 1
31 1 32 63 32 64 parsed_2kl3 1
32 1 33 63 33 64 parsed_2kl3 1
33 1 34 63 34 64 parsed_2kl3 1
34 1 35 63 35 64 parsed_2kl3 1
35 1 36 63 36 64 parsed_2kl3 1
36 1 37 63 37 64 parsed_2kl3 1
stop_
save_
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