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 |
|
|
54523 |
3cys   |
cing | 2-parsed | STAR | entry | full |
data_3cys_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_3cys
_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_3cys 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_3cys
_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 3cys "Master copy" parsed_3cys
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_3cys
_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 3cys.mr . . "MR format" 1 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_3cys 1
1 3cys.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_3cys 1
1 3cys.mr . . n/a 3 "chemical shift" "Not applicable" "format 3" 0 parsed_3cys 1
1 3cys.mr . . "MR format" 4 distance NOE simple 0 parsed_3cys 1
1 3cys.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_3cys 1
stop_
save_
save_MR_file_comment_2
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_3cys
_Org_constr_file_comment.ID 1
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 2
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
REMARK 1
REMARK 1 THIS FILE CONTAINS DATA THAT WAS USED IN THE DETERMINATION
REMARK 1 OF THE THREE-DIMENSIONAL STRUCTURE OF THE COMPLEX OF
REMARK 1 CYCLOPHILIN A - CYCLOSPORIN A BY NMR IN SOLUTION.
REMARK 2
REMARK 2
REMARK 2 THE DIFFERENT KINDS OF DATA TOGETHER WITH THE CORRESPONDING
REMARK 2 RECORD IDENTIFIERS ARE GIVEN IN THE FOLLOWING TABLE.
REMARK 2
REMARK 2 RECORD CONTENT UNIT
REMARK 2 ------ ------------------------------------------- ---------
REMARK 2 SHIFTS CHEMICAL SHIFTS OF THE ASSIGNED PROTONS PPM
REMARK 2 13 C AND 15 N RESONACES
REMARK 2 JCOUPL VICINAL 1H-1H SCALAR COUPLING CONSTANTS HERTZ
REMARK 2 NOEUPP UPPER LIMITS FOR INTERATOMIC DISTANCES ANGSTROMS
REMARK 2 DETERMINED FROM NUCLEAR OVERHAUSER EFFECTS
REMARK 2 ANGLE TORSION ANGLE CONSTRAINTS IN THE FORM OF DEGREES
REMARK 2 AN ALLOWED INTERVAL
REMARK 2
REMARK 2 THE NEXT TABLE CONTAINS A DETAILED DESCRIPTION OF THE
REMARK 2 CONTENTS AND FORMATS OF THE VARIOUS DATA RECORDS AND THE
REMARK 2 MASTER RECORD.
REMARK 2
REMARK 2 RECORD CONTENTS (FORTRAN FORMAT)
REMARK 2 ------ -----------------------------------------------------
REMARK 2 SHIFTS RESIDUE NAME, RESIDUE NUMBER, ATOM NAME, CHEMICAL
REMARK 2 SHIFT(S), ATOM NAME, CHEMICAL SHIFT(S), ATOM NAME,
REMARK 2 CHEMICAL SHIFT(S)
REMARK 2 ('SHIFTS',2X,A4,I4,2X,3(A4,2F6.2,2X))
REMARK 2 JCOUPL RESIDUE NAME, RESIDUE NUMBER, FIRST AND SECOND ATOM
REMARK 2 NAME, J-COUPLING CONSTANT, FIRST AND SECOND ATOM
REMARK 2 NAME, J-COUPLING CONSTANT, FIRST AND SECOND ATOM
REMARK 2 NAME, J-COUPLING CONSTANT
REMARK 2 ('JCOUPL',2X,A4,I4,2X,3(A4,1X,A4,F6.2,3X))
REMARK 2 NOEUPP FIRST RESIDUE NAME, FIRST RESIDUE NUMBER, FIRST ATOM
REMARK 2 NAME, SECOND RESIDUE NAME, SECOND RESIDUE NUMBER,
REMARK 2 SECOND ATOM NAME, UPPER DISTANCE LIMIT, FIRST ATOM
REMARK 2 NAME, SECOND RESIDUE NAME, SECOND RESIDUE NUMBER,
REMARK 2 SECOND ATOM NAME, UPPER DISTANCE LIMIT
REMARK 2 ('NOEUPP',2X,A4,I4,1X,2(A4,1X,A4,I4,1X,A4,F6.2,5X))
REMARK 2 ANGLE RESIDUE NAME, RESIDUE NUMBER, ANGLE NAME, LOWER AND
REMARK 2 UPPER BOUND, ANGLE NAME, LOWER AND UPPER BOUND
REMARK 2 ('ANGLE',3X,A4,I4,1X,2(A5,2F8.2,8X))
REMARK 3 PROTON CHEMICAL SHIFTS
;
save_
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