NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
50111 |
2jyk   |
cing | 2-parsed | STAR | distance | NOE | ambi |
data_2jyk_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2jyk
_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_2jyk 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2jyk
_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 2jyk "Master copy" parsed_2jyk
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2jyk
_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 2jyk.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2jyk 1
1 2jyk.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 286 parsed_2jyk 1
1 2jyk.mr . . XPLOR/CNS 3 distance NOE simple 670 parsed_2jyk 1
1 2jyk.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 102 parsed_2jyk 1
1 2jyk.mr . . XPLOR/CNS 5 distance NOE ambi 0 parsed_2jyk 1
1 2jyk.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2jyk 1
stop_
save_
save_CNS/XPLOR_distance_constraints_5
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2jyk
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 5
_Distance_constraint_list.Details "Generated by Wattos"
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
;
message=on
echo=on
echo=off message=off
;
1 1 3 28 parsed_2jyk 1
2 "echo=on message=on" 235 1 235 26 parsed_2jyk 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
;
group
selection=(
(resid 1 and name N1) or
(resid 1 and name N3) or
(resid 1 and name C5) or
(resid 42 and name N1) or
(resid 42 and name N3) or
(resid 42 and name C5)
)
weight=10.0
end
group
selection=(
(resid 2 and name N1) or
(resid 2 and name N3) or
(resid 2 and name C5) or
(resid 41 and name N1) or
(resid 41 and name N3) or
(resid 41 and name C5)
)
weight=10.0
end
group
selection=(
(resid 3 and name N1) or
(resid 3 and name N3) or
(resid 3 and name C5) or
(resid 40 and name N1) or
(resid 40 and name N3) or
(resid 40 and name C5)
)
weight=10.0
end
group
selection=(
(resid 4 and name N1) or
(resid 4 and name N3) or
(resid 4 and name C5) or
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)
weight=10.0
end
group
selection=(
(resid 5 and name N1) or
(resid 5 and name N3) or
(resid 5 and name C5) or
(resid 38 and name N1) or
(resid 38 and name N3) or
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)
weight=10.0
end
group
selection=(
(resid 6 and name N1) or
(resid 6 and name N3) or
(resid 6 and name C5) or
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)
weight=10.0
end
group
selection=(
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)
weight=10.0
end
group
selection=(
(resid 8 and name N1) or
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)
weight=10.0
end
group
selection=(
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)
weight=10.0
end
group
selection=(
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)
weight=10.0
end
group
selection=(
(resid 11 and name N1) or
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)
weight=10.0
end
group
selection=(
(resid 12 and name N1) or
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)
weight=10.0
end
group
selection=(
(resid 13 and name N1) or
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)
weight=10.0
end
group
selection=(
(resid 14 and name N1) or
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(resid 29 and name N1) or
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)
weight=10.0
end
group
selection=(
(resid 15 and name N1) or
(resid 15 and name N3) or
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)
weight=10.0
end
group
selection=(
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)
weight=10.0
end
group
selection=(
(resid 17 and name N1) or
(resid 17 and name N3) or
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)
weight=10.0
end
group
selection=(
(resid 18 and name N1) or
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(resid 18 and name C5) or
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)
weight=10.0
end
group
selection=(
(resid 19 and name N1) or
(resid 19 and name N3) or
(resid 19 and name C5) or
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(resid 24 and name N3) or
(resid 24 and name C5)
)
weight=10.0
end
group
selection=(
(resid 20 and name N1) or
(resid 20 and name N3) or
(resid 20 and name C5) or
(resid 23 and name N1) or
(resid 23 and name N3) or
(resid 23 and name C5)
)
weight=10.0
end
group
selection=(
(resid 21 and name N1) or
(resid 21 and name N3) or
(resid 21 and name C5) or
(resid 22 and name N1) or
(resid 22 and name N3) or
(resid 22 and name C5)
)
weight=10.0
end
;
4 1 234 3 parsed_2jyk 1
stop_
save_
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