NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image	mrblock_id	pdb_id	cing	stage	program	type
	28533	3cti	cing	1-original	MR format	comment

*HEADER    PROTEINASE INHIBITOR (TRYPSIN)          27-MAR-91   3CTI    
*COMPND    TRYPSIN INHIBITOR (/NMR$, 6 SIMULATED ANNEALING STRUCTURES) 
*COMPND   2 (/CMTI$ I)                                                 
*AUTHOR    M.NILGES,J.HABAZETTL,A.T.BRUENGER,T.A.HOLAK                 
*REVDAT   1   15-APR-92 3CTI    0                                      

REMARK
REMARK CMTI-I REFINEMENT AGAINST NOESY INTENSITIES
REMARK NOESY INTENSITY FILE
REMARK M.NILGES,J.HABAZETTL,A.T.BRUENGER,T.A.HOLAK                                     
REMARK
REMARK THIS FILE CONTAINS ALL USED INTENSITIES IN THE 
REMARK FORMAT READABLE BY THE EXTENDED VERSION OF X-PLOR
REMARK USED IN THE REFINEMENT. THERE ARE THREE SETS OF
REMARK INTENSITIES IN THIS FILE. THE FIRST CONTAINS VALUES
REMARK FROM A BUILDUP CURVE MEASURED AT FOUR MIXING TIMES
REMARK 50, 100, 150, 200 MS, THE SECOND ADDITIONAL VALUES
REMARK FROM H2O AND D2O SPECTRA WITH 150 MS MIXING TIME,
REMARK THE THIRD INTENSITIES WITH ZERO VALUES FOR NON-EXISTANT
REMARK NOES WHICH SEEMED STRUCTURALLY IMPORTANT, FOR ALL FOUR
REMARK MIXING TIMES.
REMARK ENTRIES FOLLOWING A ! ARE TREATED AS COMMENTS.
REMARK FOR UNASSIGNED METHYLENE PROTONS AND OTHER AMBIGUOUS
REMARK PEAKS, THE SUM OF THE OBSERVED INTENSITIES IS RESTRAINED
REMARK TO THE SUM OF THE CORRESPONDING CALCULATED INTENSITIES.


REMARK BUILDUP CURVE (50, 100, 150, 200 MS) IN H2O

CLASS  50
CLASS 100
CLASS 150
CLASS 200
ERROR INPUT=PLUSMINUS MODE=ABSOLUTE END

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