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 | subtype | subsubtype |
|
|
562880 |
2m7x   |
19216 | cing | 2-parsed | STAR | distance | hydrogen bond | simple |
data_2m7x_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2m7x
_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_2m7x 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2m7x
_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 2m7x "Master copy" parsed_2m7x
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2m7x
_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 2m7x.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2m7x 1
1 2m7x.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 42 parsed_2m7x 1
1 2m7x.mr . . XPLOR/CNS 3 distance NOE simple 0 parsed_2m7x 1
1 2m7x.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 0 parsed_2m7x 1
1 2m7x.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2m7x 1
stop_
save_
save_CNS/XPLOR_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2m7x
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 4
_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
;
hbonds
assign (resid 20 and name N )(resid 1 and name O ) 3.3 0.8 0.2
assign (resid 3 and name N )(resid 18 and name O ) 3.3 0.8 0.2
assign (resid 18 and name N )(resid 3 and name O ) 3.3 0.8 0.2
assign (resid 5 and name N )(resid 16 and name O ) 3.3 0.8 0.2
assign (resid 16 and name N )(resid 5 and name O ) 3.3 0.8 0.2
assign (resid 7 and name N )(resid 14 and name O ) 3.3 0.8 0.2
assign (resid 14 and name N )(resid 7 and name O ) 3.3 0.8 0.2
assign (resid 9 and name N )(resid 12 and name O ) 3.3 0.8 0.2
!assign (resid 12 and name N )(resid 9 and name O ) 3.3 0.8 0.2
assign (resid 4 and name N )(resid 50 and name O ) 3.3 0.8 0.2
assign (resid 52 and name N )(resid 4 and name O ) 3.3 0.8 0.2
assign (resid 6 and name N )(resid 52 and name O ) 3.3 0.8 0.2
assign (resid 54 and name N )(resid 6 and name O ) 3.3 0.8 0.2
assign (resid 8 and name N )(resid 54 and name O ) 3.3 0.8 0.2
assign (resid 42 and name N )(resid 55 and name O ) 3.3 0.8 0.2
assign (resid 55 and name N )(resid 42 and name O ) 3.3 0.8 0.2
assign (resid 44 and name N )(resid 53 and name O ) 3.3 0.8 0.2
assign (resid 53 and name N )(resid 44 and name O ) 3.3 0.8 0.2
assign (resid 46 and name N )(resid 51 and name O ) 3.3 0.8 0.2
assign (resid 50 and name N )(resid 46 and name O ) 3.3 0.8 0.2
assign (resid 51 and name N )(resid 46 and name O ) 3.3 0.8 0.2
assign (resid 22 and name O )(resid 26 and name N ) 3.3 0.8 0.2
assign (resid 23 and name O )(resid 27 and name N ) 3.3 0.8 0.2
!assign (resid 24 and name O )(resid 28 and name N ) 3.3 0.8 0.2
assign (resid 25 and name O )(resid 29 and name N ) 3.3 0.8 0.2
assign (resid 26 and name O )(resid 30 and name N ) 3.3 0.8 0.2
assign (resid 27 and name O )(resid 31 and name N ) 3.3 0.8 0.2
assign (resid 28 and name O )(resid 32 and name N ) 3.3 0.8 0.2
assign (resid 29 and name O )(resid 33 and name N ) 3.3 0.8 0.2
assign (resid 30 and name O )(resid 34 and name N ) 3.3 0.8 0.2
assign (resid 31 and name O )(resid 35 and name N ) 3.3 0.8 0.2
assign (resid 34 and name O )(resid 39 and name N ) 3.3 0.8 0.2
assign (resid 22 and name OD# )(resid 25 and name N ) 3.3 0.8 0.2
assign (resid 20 and name HN )(resid 1 and name O ) 2.3 0.8 0.2
assign (resid 3 and name HN )(resid 18 and name O ) 2.3 0.8 0.2
assign (resid 18 and name HN )(resid 3 and name O ) 2.3 0.8 0.2
assign (resid 5 and name HN )(resid 16 and name O ) 2.3 0.8 0.2
assign (resid 16 and name HN )(resid 5 and name O ) 2.3 0.8 0.2
assign (resid 7 and name HN )(resid 14 and name O ) 2.3 0.8 0.2
assign (resid 14 and name HN )(resid 7 and name O ) 2.3 0.8 0.2
assign (resid 9 and name HN )(resid 12 and name O ) 2.3 0.8 0.2
!assign (resid 12 and name HN )(resid 9 and name O ) 2.3 0.8 0.2
assign (resid 4 and name HN )(resid 50 and name O ) 2.3 0.8 0.2
assign (resid 52 and name HN )(resid 4 and name O ) 2.3 0.8 0.2
assign (resid 6 and name HN )(resid 52 and name O ) 2.3 0.8 0.2
assign (resid 54 and name HN )(resid 6 and name O ) 2.3 0.8 0.2
assign (resid 8 and name HN )(resid 54 and name O ) 2.3 0.8 0.2
assign (resid 42 and name HN )(resid 55 and name O ) 2.3 0.8 0.2
assign (resid 55 and name HN )(resid 42 and name O ) 2.3 0.8 0.2
assign (resid 44 and name HN )(resid 53 and name O ) 2.3 0.8 0.2
assign (resid 53 and name HN )(resid 44 and name O ) 2.3 0.8 0.2
assign (resid 46 and name HN )(resid 51 and name O ) 2.3 0.8 0.2
assign (resid 50 and name HN )(resid 46 and name O ) 2.3 0.8 0.2
assign (resid 51 and name HN )(resid 46 and name O ) 2.3 0.8 0.2
assign (resid 22 and name O )(resid 26 and name HN ) 2.3 0.8 0.2
assign (resid 23 and name O )(resid 27 and name HN ) 2.3 0.8 0.2
!assign (resid 24 and name O )(resid 28 and name HN ) 2.3 0.8 0.2
assign (resid 25 and name O )(resid 29 and name HN ) 2.3 0.8 0.2
assign (resid 26 and name O )(resid 30 and name HN ) 2.3 0.8 0.2
assign (resid 27 and name O )(resid 31 and name HN ) 2.3 0.8 0.2
assign (resid 28 and name O )(resid 32 and name HN ) 2.3 0.8 0.2
assign (resid 29 and name O )(resid 33 and name HN ) 2.3 0.8 0.2
assign (resid 30 and name O )(resid 34 and name HN ) 2.3 0.8 0.2
assign (resid 31 and name O )(resid 35 and name HN ) 2.3 0.8 0.2
assign (resid 34 and name O )(resid 39 and name HN ) 2.3 0.8 0.2
assign (resid 22 and name OD# )(resid 25 and name HN ) 2.3 0.8 0.2
assign (resid 46 and name OD# )(resid 48 and name HN ) 2.3 0.8 0.2
assign (resid 46 and name OD# )(resid 48 and name N ) 3.3 0.8 0.2
;
1 1 70 77 parsed_2m7x 1
2
;
echo=true
wrnlev=5
;
71 1 72 16 parsed_2m7x 1
stop_
save_
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