$##1.0

Project:      	Dynamic method/T2(1)
Date:         	Saturday, June 2, 2012 12:05:02 AM
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
Time [s]:	       0.02000000	       0.04000000	       0.06000000	       0.08000000	       0.11000000	       0.14000000	       0.17000000	       0.24000000
Peak name	              I0	              I1	              I2	              I3	              I4	              I5	              I6	              I7
    GLY [1]	  819613.37500000	  696009.68750000	  536271.25000000	  436679.06250000	  285130.43750000	  255271.15625000	  167179.17187500	   88758.62500000
    PHE [2]	  1066559.62500000	  861516.37500000	  642675.93750000	  529941.62500000	  326501.46875000	  254946.18750000	  187926.98437500	       0.00000000


SECTION:	 integral errors
Time [s]:	       0.02000000	       0.04000000	       0.06000000	       0.08000000	       0.11000000	       0.14000000	       0.17000000	       0.24000000
Peak name	              I0	              I1	              I2	              I3	              I4	              I5	              I6	              I7
    GLY [1]	    7604.71371191	    9795.64773478	   13253.99811749	    9439.63427528	   15271.97105317	   15362.70994561	    8926.94202414	    8169.00387905
    PHE [2]	    7604.71371191	    9795.64773478	   13253.99811749	    9439.63427528	   15271.97105317	   15362.70994561	    8926.94202414	       0.00000000


SECTION:	 integrals back calculated from fit
Time [s]:	       0.02000000	       0.04000000	       0.06000000	       0.08000000	       0.11000000	       0.14000000	       0.17000000	       0.24000000
Peak name	              I0	              I1	              I2	              I3	              I4	              I5	              I6	              I7
    GLY [1]	  827119.07090721	  670448.97839047	  543454.80407289	  440515.43605738	  321482.75348647	  234614.16406707	  171218.53469258	   82099.91774919
    PHE [2]	  1070835.37650061	  843302.19810588	  664115.71090806	  523003.11616114	  365506.46208643	  255438.19854751	  178515.78575311	       0.00000000


SECTION:	 details
Fitted function:	 f(t) = Io * exp (-t/T)
Random error estimation of data:	 RMS per spectrum (or trace/plane)
Systematic error estimation of data:	 average variance calculation
Fit parameter Error estimation method:	 from fit using calculated y uncertainties
Confidence level:	 95%
Used peaks:	 peaks from peaklist.xml at spectrum
Used integrals:	 peak intensities
Used Time:	 all values (including replicates) used


SECTION:	 results
Peak name	   F1 [ppm]	   F2 [ppm]	   Io	   error	   T2 [s]	   error	   errorScale	   R2 [rad/s]	   R2 sd [rad/s]
GLY [1]	    111.835	      9.104	 1020399.731387	 26794.0278654	 0.095238	 0.0045640	 2.4469119	 10.500053	 0.2056394
PHE [2]	    122.727	      8.109	 1359759.770745	 31681.7650333	 0.083728	 0.0035437	 2.5705818	 11.943449	 0.1966456
