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 | subtype | subsubtype | item_count |
|
|
48544 |
2jmd   |
cing | 2-parsed | STAR | distance | general distance | simple | 7 |
data_2jmd_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2jmd
_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_2jmd 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2jmd
_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 2jmd "Master copy" parsed_2jmd
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2jmd
_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 2jmd.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2jmd 1
1 2jmd.mr . . XPLOR/CNS 2 distance NOE simple 1334 parsed_2jmd 1
1 2jmd.mr . . XPLOR/CNS 3 distance "general distance" simple 7 parsed_2jmd 1
1 2jmd.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2jmd 1
1 2jmd.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2jmd 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2jmd
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "general distance"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 3
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . parsed_2jmd 1
2 1 . . . parsed_2jmd 1
3 1 . . . parsed_2jmd 1
4 1 . . . parsed_2jmd 1
5 1 . . . parsed_2jmd 1
6 1 . . . parsed_2jmd 1
7 1 . . . parsed_2jmd 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 . . . . . . . . . 9 . SG parsed_2jmd 1
1 1 2 . . . . . . . . . 12 . SG parsed_2jmd 1
2 1 1 . . . . . . . . . 9 . SG parsed_2jmd 1
2 1 2 . . . . . . . . . 29 . SG parsed_2jmd 1
3 1 1 . . . . . . . . . 9 . SG parsed_2jmd 1
3 1 2 . . . . . . . . . 32 . SG parsed_2jmd 1
4 1 1 . . . . . . . . . 12 . SG parsed_2jmd 1
4 1 2 . . . . . . . . . 29 . SG parsed_2jmd 1
5 1 1 . . . . . . . . . 12 . SG parsed_2jmd 1
5 1 2 . . . . . . . . . 32 . SG parsed_2jmd 1
6 1 1 . . . . . . . . . 29 . SG parsed_2jmd 1
6 1 2 . . . . . . . . . 32 . SG parsed_2jmd 1
7 1 1 . . . . . . . . . 24 . SG parsed_2jmd 1
7 1 2 . . . . . . . . . 44 . SG parsed_2jmd 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 3.96 3.77 4.15 parsed_2jmd 1
2 1 . . . . . 3.96 3.77 4.15 parsed_2jmd 1
3 1 . . . . . 3.96 3.77 4.15 parsed_2jmd 1
4 1 . . . . . 3.96 3.77 4.15 parsed_2jmd 1
5 1 . . . . . 3.96 3.77 4.15 parsed_2jmd 1
6 1 . . . . . 3.96 3.77 4.15 parsed_2jmd 1
7 1 . . . . . 3.96 3.77 4.15 parsed_2jmd 1
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1
;
!!!!!!!!!!!!!!!!!!!site 1
S-S restraints
;
2 1 3 16 parsed_2jmd 1
2
;
!!!!!!!!!!!!!!!!!!!site 2
CYS24
;
26 1 28 7 parsed_2jmd 1
stop_
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1 "assign (id 975) (resid 9 and name SG) 2.33 0.05 0.05" 15 1 15 60 parsed_2jmd 1
2 "assign (id 975) (resid 12 and name SG) 2.33 0.05 0.05" 16 1 16 60 parsed_2jmd 1
3 "assign (id 975) (resid 29 and name SG) 2.33 0.05 0.05" 17 1 17 60 parsed_2jmd 1
4 "assign (id 975) (resid 32 and name SG) 2.33 0.05 0.05" 18 1 18 60 parsed_2jmd 1
5 "assign (id 975) (resid 9 and name CB) 3.43 0.18 0.18" 21 1 21 61 parsed_2jmd 1
6 "assign (id 975) (resid 12 and name CB) 3.43 0.18 0.18" 22 1 22 61 parsed_2jmd 1
7 "assign (id 975) (resid 29 and name CB) 3.43 0.18 0.18" 23 1 23 61 parsed_2jmd 1
8 "assign (id 975) (resid 32 and name CB) 3.43 0.18 0.18" 24 1 24 61 parsed_2jmd 1
9 "assign (id 976) (resid 24 and name SG) 2.33 0.05 0.05" 33 1 33 61 parsed_2jmd 1
10 "assign (id 976) (resid 44 and name SG) 2.33 0.05 0.05" 34 1 34 61 parsed_2jmd 1
11
;
assign (id 976) (resid 26 and name ND1) 2.04 0.4 0.4
or (id 976) (resid 26 and name NE2)
;
35 1 36 45 parsed_2jmd 1
12 "assign (id 976) (resid 24 and name CB) 3.43 0.18 0.18" 39 1 39 61 parsed_2jmd 1
13 "assign (id 976) (resid 44 and name CB) 3.43 0.18 0.18" 40 1 40 61 parsed_2jmd 1
14
;
assign (id 976) (resid 47 and name OD1) 2.02 0.1 0.1
or (id 976) (resid 47 and name OD2)
;
43 1 44 42 parsed_2jmd 1
stop_
save_
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