NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
474823 |
2kyd   |
16980 | cing | 2-parsed | STAR | dipolar coupling | 42 |
data_2kyd_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2kyd
_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_2kyd 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2kyd
_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 2kyd "Master copy" parsed_2kyd
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2kyd
_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 2kyd.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kyd 1
1 2kyd.mr . . AMBER 2 distance NOE simple 303 parsed_2kyd 1
1 2kyd.mr . . AMBER 3 "dihedral angle" "Not applicable" "Not applicable" 572 parsed_2kyd 1
1 2kyd.mr . . AMBER 4 unknown "Not applicable" "Not applicable" 0 parsed_2kyd 1
1 2kyd.mr . . AMBER 5 distance "general distance" simple 316 parsed_2kyd 1
1 2kyd.mr . . AMBER 6 "dipolar coupling" "Not applicable" "Not applicable" 42 parsed_2kyd 1
1 2kyd.mr . . AMBER 7 distance "hydrogen bond" simple 0 parsed_2kyd 1
1 2kyd.mr . . AMBER 8 unknown "Not applicable" "Not applicable" 0 parsed_2kyd 1
1 2kyd.mr . . PDB 9 coordinate initial "Not applicable" 0 parsed_2kyd 1
1 2kyd.mr . . "MR format" 10 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kyd 1
stop_
save_
save_AMBER_dipolar_coupling_6
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2kyd
_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 . . . . . . . . . . . . . . . . . 28.40 28.40 . . 2kyd_ambr001 1 RC5 C5 2kyd_ambr001 1 RC5 H5 parsed_2kyd 1
2 . . . . . . . . . . . . . . . . . 31.10 31.10 . . 2kyd_ambr001 9 RC C5 2kyd_ambr001 9 RC H5 parsed_2kyd 1
3 . . . . . . . . . . . . . . . . . 31.10 31.10 . . 2kyd_ambr001 13 RC C5 2kyd_ambr001 13 RC H5 parsed_2kyd 1
4 . . . . . . . . . . . . . . . . . 40.80 40.80 . . 2kyd_ambr001 5 RU C5 2kyd_ambr001 5 RU H5 parsed_2kyd 1
5 . . . . . . . . . . . . . . . . . 35.40 35.40 . . 2kyd_ambr001 6 RU C5 2kyd_ambr001 6 RU H5 parsed_2kyd 1
6 . . . . . . . . . . . . . . . . . 33.60 33.60 . . 2kyd_ambr001 1 RC5 C6 2kyd_ambr001 1 RC5 H6 parsed_2kyd 1
7 . . . . . . . . . . . . . . . . . 45.80 45.80 . . 2kyd_ambr001 9 RC C6 2kyd_ambr001 9 RC H6 parsed_2kyd 1
8 . . . . . . . . . . . . . . . . . 36.70 36.70 . . 2kyd_ambr001 13 RC C6 2kyd_ambr001 13 RC H6 parsed_2kyd 1
9 . . . . . . . . . . . . . . . . . 40.40 40.40 . . 2kyd_ambr001 2 RU C6 2kyd_ambr001 2 RU H6 parsed_2kyd 1
10 . . . . . . . . . . . . . . . . . 44.50 44.50 . . 2kyd_ambr001 5 RU C6 2kyd_ambr001 5 RU H6 parsed_2kyd 1
11 . . . . . . . . . . . . . . . . . 41.70 41.70 . . 2kyd_ambr001 6 RU C6 2kyd_ambr001 6 RU H6 parsed_2kyd 1
12 . . . . . . . . . . . . . . . . . 49.40 49.40 . . 2kyd_ambr001 14 RU C6 2kyd_ambr001 14 RU H6 parsed_2kyd 1
13 . . . . . . . . . . . . . . . . . 36.70 36.70 . . 2kyd_ambr001 4 RG C8 2kyd_ambr001 4 RG H8 parsed_2kyd 1
14 . . . . . . . . . . . . . . . . . 41.50 41.50 . . 2kyd_ambr001 8 RG C8 2kyd_ambr001 8 RG H8 parsed_2kyd 1
15 . . . . . . . . . . . . . . . . . 33.70 33.70 . . 2kyd_ambr001 16 RG3 C8 2kyd_ambr001 16 RG3 H8 parsed_2kyd 1
16 . . . . . . . . . . . . . . . . . 39.20 39.20 . . 2kyd_ambr001 12 RA C8 2kyd_ambr001 12 RA H8 parsed_2kyd 1
17 . . . . . . . . . . . . . . . . . 44.80 44.80 . . 2kyd_ambr001 3 RA C2 2kyd_ambr001 3 RA H2 parsed_2kyd 1
18 . . . . . . . . . . . . . . . . . 46.90 46.90 . . 2kyd_ambr001 7 RA C2 2kyd_ambr001 7 RA H2 parsed_2kyd 1
19 . . . . . . . . . . . . . . . . . 47.70 47.70 . . 2kyd_ambr001 11 RA C2 2kyd_ambr001 11 RA H2 parsed_2kyd 1
20 . . . . . . . . . . . . . . . . . 44.60 44.60 . . 2kyd_ambr001 12 RA C2 2kyd_ambr001 12 RA H2 parsed_2kyd 1
21 . . . . . . . . . . . . . . . . . 44.80 44.80 . . 2kyd_ambr001 15 RA C2 2kyd_ambr001 15 RA H2 parsed_2kyd 1
22 . . . . . . . . . . . . . . . . . 28.40 28.40 . . 2kyd_ambr002 1 RC5 C5 2kyd_ambr002 1 RC5 H5 parsed_2kyd 1
23 . . . . . . . . . . . . . . . . . 31.10 31.10 . . 2kyd_ambr002 9 RC C5 2kyd_ambr002 9 RC H5 parsed_2kyd 1
24 . . . . . . . . . . . . . . . . . 31.10 31.10 . . 2kyd_ambr002 13 RC C5 2kyd_ambr002 13 RC H5 parsed_2kyd 1
25 . . . . . . . . . . . . . . . . . 40.80 40.80 . . 2kyd_ambr002 5 RU C5 2kyd_ambr002 5 RU H5 parsed_2kyd 1
26 . . . . . . . . . . . . . . . . . 35.40 35.40 . . 2kyd_ambr002 6 RU C5 2kyd_ambr002 6 RU H5 parsed_2kyd 1
27 . . . . . . . . . . . . . . . . . 33.60 33.60 . . 2kyd_ambr002 1 RC5 C6 2kyd_ambr002 1 RC5 H6 parsed_2kyd 1
28 . . . . . . . . . . . . . . . . . 45.80 45.80 . . 2kyd_ambr002 9 RC C6 2kyd_ambr002 9 RC H6 parsed_2kyd 1
29 . . . . . . . . . . . . . . . . . 36.70 36.70 . . 2kyd_ambr002 13 RC C6 2kyd_ambr002 13 RC H6 parsed_2kyd 1
30 . . . . . . . . . . . . . . . . . 40.40 40.40 . . 2kyd_ambr002 2 RU C6 2kyd_ambr002 2 RU H6 parsed_2kyd 1
31 . . . . . . . . . . . . . . . . . 44.50 44.50 . . 2kyd_ambr002 5 RU C6 2kyd_ambr002 5 RU H6 parsed_2kyd 1
32 . . . . . . . . . . . . . . . . . 41.70 41.70 . . 2kyd_ambr002 6 RU C6 2kyd_ambr002 6 RU H6 parsed_2kyd 1
33 . . . . . . . . . . . . . . . . . 49.40 49.40 . . 2kyd_ambr002 14 RU C6 2kyd_ambr002 14 RU H6 parsed_2kyd 1
34 . . . . . . . . . . . . . . . . . 36.70 36.70 . . 2kyd_ambr002 4 RG C8 2kyd_ambr002 4 RG H8 parsed_2kyd 1
35 . . . . . . . . . . . . . . . . . 41.50 41.50 . . 2kyd_ambr002 8 RG C8 2kyd_ambr002 8 RG H8 parsed_2kyd 1
36 . . . . . . . . . . . . . . . . . 33.70 33.70 . . 2kyd_ambr002 16 RG3 C8 2kyd_ambr002 16 RG3 H8 parsed_2kyd 1
37 . . . . . . . . . . . . . . . . . 39.20 39.20 . . 2kyd_ambr002 12 RA C8 2kyd_ambr002 12 RA H8 parsed_2kyd 1
38 . . . . . . . . . . . . . . . . . 44.80 44.80 . . 2kyd_ambr002 3 RA C2 2kyd_ambr002 3 RA H2 parsed_2kyd 1
39 . . . . . . . . . . . . . . . . . 46.90 46.90 . . 2kyd_ambr002 7 RA C2 2kyd_ambr002 7 RA H2 parsed_2kyd 1
40 . . . . . . . . . . . . . . . . . 47.70 47.70 . . 2kyd_ambr002 11 RA C2 2kyd_ambr002 11 RA H2 parsed_2kyd 1
41 . . . . . . . . . . . . . . . . . 44.60 44.60 . . 2kyd_ambr002 12 RA C2 2kyd_ambr002 12 RA H2 parsed_2kyd 1
42 . . . . . . . . . . . . . . . . . 44.80 44.80 . . 2kyd_ambr002 15 RA C2 2kyd_ambr002 15 RA H2 parsed_2kyd 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=42, dcut=-1.0,
dwt=42*1.0, gigj = 42*7.8467, dij=42*1.09,
s11= 0.000, s12= 0.000, s13= 0.000, s22= 0.000, s23= 0.000,
freezemol= .false.,
freezes= .false.,
;
1 2 6 20 parsed_2kyd 1
2 &end 49 2 49 5 parsed_2kyd 1
stop_
save_
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