NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
47181 |
2gat   |
cing | 2-parsed | STAR | dipolar coupling | 36 |
data_2gat_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2gat
_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_2gat 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2gat
_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 2gat "Master copy" parsed_2gat
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2gat
_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 2gat.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2gat 1
1 2gat.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_2gat 1
1 2gat.mr . . XPLOR/CNS 3 distance NOE ambi 116 parsed_2gat 1
1 2gat.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_2gat 1
1 2gat.mr . . XPLOR/CNS 5 distance NOE simple 370 parsed_2gat 1
1 2gat.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_2gat 1
1 2gat.mr . . XPLOR/CNS 7 distance "hydrogen bond" simple 37 parsed_2gat 1
1 2gat.mr . . n/a 8 comment "Not applicable" "Not applicable" 0 parsed_2gat 1
1 2gat.mr . . XPLOR/CNS 9 distance NOE simple 915 parsed_2gat 1
1 2gat.mr . . n/a 10 comment "Not applicable" "Not applicable" 0 parsed_2gat 1
1 2gat.mr . . XPLOR/CNS 11 distance "hydrogen bond" simple 30 parsed_2gat 1
1 2gat.mr . . n/a 12 comment "Not applicable" "Not applicable" 0 parsed_2gat 1
1 2gat.mr . . XPLOR/CNS 13 distance "hydrogen bond" ambi 2 parsed_2gat 1
1 2gat.mr . . n/a 14 comment "Not applicable" "Not applicable" 0 parsed_2gat 1
1 2gat.mr . . XPLOR/CNS 15 distance NOE simple 7 parsed_2gat 1
1 2gat.mr . . n/a 16 comment "Not applicable" "Not applicable" 0 parsed_2gat 1
1 2gat.mr . . XPLOR/CNS 17 "dihedral angle" "Not applicable" "Not applicable" 142 parsed_2gat 1
1 2gat.mr . . n/a 18 comment "Not applicable" "Not applicable" 0 parsed_2gat 1
1 2gat.mr . . XPLOR/CNS 19 "dihedral angle" "Not applicable" "Not applicable" 184 parsed_2gat 1
1 2gat.mr . . n/a 20 comment "Not applicable" "Not applicable" 0 parsed_2gat 1
1 2gat.mr . . XPLOR/CNS 21 "dipolar coupling" "Not applicable" "Not applicable" 52 parsed_2gat 1
1 2gat.mr . . n/a 22 comment "Not applicable" "Not applicable" 0 parsed_2gat 1
1 2gat.mr . . XPLOR/CNS 23 "dipolar coupling" "Not applicable" "Not applicable" 36 parsed_2gat 1
1 2gat.mr . . "MR format" 24 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2gat 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_23
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2gat
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 23
_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 . . . . . . . . . . . . . . . . 0.7988 . . . . . 1 . CA . 1 . HA parsed_2gat 1
2 . . . . . . . . . . . . . . . . 0.8026 . . . . . 3 . CA . 3 . HA parsed_2gat 1
3 . . . . . . . . . . . . . . . . 0.2877 . . . . . 6 . CA . 6 . HA parsed_2gat 1
4 . . . . . . . . . . . . . . . . 0.2777 . . . . . 7 . CA . 7 . HA parsed_2gat 1
5 . . . . . . . . . . . . . . . . 0.4507 . . . . . 8 . CA . 8 . HA parsed_2gat 1
6 . . . . . . . . . . . . . . . . -0.2765 . . . . . 9 . CA . 9 . HA parsed_2gat 1
7 . . . . . . . . . . . . . . . . 0.0524 . . . . . 10 . CA . 10 . HA parsed_2gat 1
8 . . . . . . . . . . . . . . . . 0.3844 . . . . . 12 . CA . 12 . HA parsed_2gat 1
9 . . . . . . . . . . . . . . . . -0.0380 . . . . . 13 . CA . 13 . HA parsed_2gat 1
10 . . . . . . . . . . . . . . . . 2.0605 . . . . . 14 . CA . 14 . HA parsed_2gat 1
11 . . . . . . . . . . . . . . . . -0.1866 . . . . . 16 . CA . 16 . HA parsed_2gat 1
12 . . . . . . . . . . . . . . . . 1.0902 . . . . . 18 . CA . 18 . HA parsed_2gat 1
13 . . . . . . . . . . . . . . . . -0.1577 . . . . . 19 . CA . 19 . HA parsed_2gat 1
14 . . . . . . . . . . . . . . . . -0.9850 . . . . . 20 . CA . 20 . HA parsed_2gat 1
15 . . . . . . . . . . . . . . . . 1.1933 . . . . . 21 . CA . 21 . HA parsed_2gat 1
16 . . . . . . . . . . . . . . . . 0.3577 . . . . . 22 . CA . 22 . HA parsed_2gat 1
17 . . . . . . . . . . . . . . . . 1.3375 . . . . . 25 . CA . 25 . HA parsed_2gat 1
18 . . . . . . . . . . . . . . . . 0.0150 . . . . . 26 . CA . 26 . HA parsed_2gat 1
19 . . . . . . . . . . . . . . . . -0.5538 . . . . . 27 . CA . 27 . HA parsed_2gat 1
20 . . . . . . . . . . . . . . . . 0.7622 . . . . . 29 . CA . 29 . HA parsed_2gat 1
21 . . . . . . . . . . . . . . . . 0.0229 . . . . . 33 . CA . 33 . HA parsed_2gat 1
22 . . . . . . . . . . . . . . . . 0.7193 . . . . . 36 . CA . 36 . HA parsed_2gat 1
23 . . . . . . . . . . . . . . . . -0.5558 . . . . . 37 . CA . 37 . HA parsed_2gat 1
24 . . . . . . . . . . . . . . . . 1.6922 . . . . . 39 . CA . 39 . HA parsed_2gat 1
25 . . . . . . . . . . . . . . . . 0.7679 . . . . . 41 . CA . 41 . HA parsed_2gat 1
26 . . . . . . . . . . . . . . . . 0.8393 . . . . . 44 . CA . 44 . HA parsed_2gat 1
27 . . . . . . . . . . . . . . . . -0.2497 . . . . . 45 . CA . 45 . HA parsed_2gat 1
28 . . . . . . . . . . . . . . . . 0.9483 . . . . . 49 . CA . 49 . HA parsed_2gat 1
29 . . . . . . . . . . . . . . . . -0.5199 . . . . . 51 . CA . 51 . HA parsed_2gat 1
30 . . . . . . . . . . . . . . . . 0.7387 . . . . . 53 . CA . 53 . HA parsed_2gat 1
31 . . . . . . . . . . . . . . . . 1.5297 . . . . . 54 . CA . 54 . HA parsed_2gat 1
32 . . . . . . . . . . . . . . . . 0.9395 . . . . . 55 . CA . 55 . HA parsed_2gat 1
33 . . . . . . . . . . . . . . . . 0.3516 . . . . . 56 . CA . 56 . HA parsed_2gat 1
34 . . . . . . . . . . . . . . . . 0.1020 . . . . . 58 . CA . 58 . HA parsed_2gat 1
35 . . . . . . . . . . . . . . . . 0.2910 . . . . . 59 . CA . 59 . HA parsed_2gat 1
36 . . . . . . . . . . . . . . . . 0.0770 . . . . . 60 . CA . 60 . HA parsed_2gat 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
;
assign ( resid 300 and name CA )
( resid 300 and name CB )
( resid 30 and name CA )
( resid 30 and name HA ) -0.3709 0.4000
;
101 1 104 53 parsed_2gat 1
2
;
assign ( resid 300 and name CA )
( resid 300 and name CB )
( resid 46 and name CA )
( resid 46 and name HA ) 1.0721 0.4000
;
141 1 144 52 parsed_2gat 1
stop_
save_
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