$##1.0

Project:      	Dynamic method/Hetero NOE(1)
Date:         	Friday, June 1, 2012 11:10:43 PM
User:         	Mengjun Xue
Computer:     	MengjunXue
generated by: 	Dynamics Center 2.0.8 (2012 Sep/27)


SECTION:	 sample information 
sample name:	 DHP new
Description/Title:	 standard demo sample
Origin:	 in-house
Date of preparation:	 06 / 2005
Solvent:	 90% H2O + 10% D2O
pH:	 7.0
Sample tube:	 normal 
Tube diameter (mm):	 3
Concentration (mM):	 10.00
Temperature (K):	 308.0
Weight (Daltons):	 8900
Correlation time (ns):	 12.40
Labelling:	 15N    
AminoAcid storage:	 FASTA file 
AminoAcid file:	 C:\Users\Mengjun Xue\Desktop\2QFK_A.fasta.txt
 	 0   G F K Q D I A T I R 
 	 10  G D L R T Y A Q D I 
 	 20  F L A F L N K Y P D 
 	 30  E R R Y F K N Y V G 
 	 40  K S D Q E L K S M A 
 	 50  K F G D H T E K V F 
 	 60  N L M M E V A D R A 
 	 70  T D C V P L A S D A 
 	 80  N T L V Q M K Q H S 
 	 90  S L T T G N F E K L 
 	 100 F V A L V E Y M R A 
 	 110 S G Q S F D S Q S W 
 	 120 D R F G K N L V S A 
 	 130 L S S A G M K 
PDB file:	 C:\Users\Mengjun Xue\Desktop\2QFK_MONOMERHabc5.pdb


SECTION:	 relevant parameters
Proton frequency[MHz]:	 700.170
X nucleus frequency[MHz]:	 70.948


SECTION:	 integrals
Spectrum [ ]:	               0	               1
Peak name	              I0	              I1
    GLY [1]	  153424.29687500	  135349.14062500
    PHE [2]	  190737.50000000	  163426.34375000


SECTION:	 integral errors
Spectrum [ ]:	               0	               1
Peak name	              I0	              I1
    GLY [1]	    7423.60740516	    6603.21577265
    PHE [2]	    7423.60740516	    6603.21577265


SECTION:	 integrals back calculated from fit
Spectrum [ ]:	               0	               1
Peak name	              I0	              I1
    GLY [1]	       0.00000000	       0.00000000
    PHE [2]	       0.00000000	       0.00000000


SECTION:	 details
Random error estimation of data:	 RMS per spectrum (or trace/plane)
Systematic error estimation of data:	 none
Used peaks:	 peaks from peaklist.xml at spectrum
Used integrals:	 peak intensities


SECTION:	 results
Peak name	   F1 [ppm]	   F2 [ppm]	   NOE [none]	   error	   errorScale
GLY [1]	    111.882	      9.096	   0.8822	 0.060617	   1.0000
PHE [2]	    122.695	      8.105	   0.8568	 0.048068	   1.0000
