$##1.0

Project:      	Dynamic method/T2
Date:         	Thursday, February 24, 2011 10:02:43 AM
User:         	neidig
Computer:     	moertel2
generated by: 	ProteinCenter 1.1.5 (2011 Feb/24)


SECTION:	 sample information 
sample name:	 ubiquitine
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:	 E:\data\dynamic\nmr\sample_ber\ubi_fasta_.txt
 	 0   M Q I F V K T L T G 
 	 10  K T I T L E V E P S 
 	 20  D T I E N V K A K T 
 	 30  Q D K E G I P P D Q 
 	 40  Q R L I F A G K Q L 
 	 50  E D G R T L S D Y N 
 	 60  I Q K E S T L H L V 
 	 70  L R L R G G 


SECTION:	 relevant parameters
Proton frequency[MHz]:	 600.130
X nucleus frequency[MHz]:	 60.811


SECTION:	 integrals
Mixing time [s]:	       0.01608000	       0.03216000	       0.06432000	       0.06432000	       0.09648000	       0.12864000	       0.16080000	       0.16080000	       0.19296000	       0.22512000	       0.28944000	       0.38592000
Peak name	              I0	              I1	              I2	              I3	              I4	              I5	              I6	              I7	              I8	              I9	             I10	             I11
    Gln [2]	  178741396.00000000	  160832067.00000000	  137304705.00000000	  136403982.00000000	  113480759.00000000	  93838303.00000000	  78349238.00000000	  77472363.00000000	  64219844.00000000	  54392104.00000000	  37553549.00000000	  21276430.00000000
    Ile [3]	  166496167.00000000	  155040799.00000000	  128964304.00000000	  126725150.00000000	  105953294.00000000	  88572210.00000000	  72047095.00000000	  73338860.00000000	  59945958.00000000	  50942354.00000000	  34085594.00000000	  18950939.00000000
    Phe [4]	  135269581.00000000	  123688088.00000000	  101456006.00000000	  101224272.00000000	  84779811.00000000	  71420911.00000000	  59944013.00000000	  58735117.00000000	  48837206.00000000	  41492329.00000000	  28796505.00000000	  16149220.00000000
    Val [5]	  154746895.00000000	  141800422.00000000	  120716760.00000000	  119942123.00000000	  103274133.00000000	  85645428.00000000	  72958890.00000000	  71912477.00000000	  59951031.00000000	  50478215.00000000	  35957205.00000000	  22380162.00000000
    Lys [6]	  167389135.00000000	  152242728.00000000	  128786448.00000000	  129096339.00000000	  107295576.00000000	  86717449.00000000	  74286310.00000000	  72071966.00000000	  59458762.00000000	  49555289.00000000	  34703750.00000000	  20285857.00000000
    Thr [7]	  179762884.00000000	  169638119.00000000	  141697725.00000000	  142859628.00000000	  116959216.00000000	  98148151.00000000	  81565238.00000000	  83141609.00000000	  67961702.00000000	  57180178.00000000	  39429697.00000000	  22056109.00000000
    Leu [8]	  141026080.00000000	  125774070.00000000	  110955521.00000000	  110470600.00000000	  97228922.00000000	  82542459.00000000	  68107846.00000000	  68306020.00000000	  55041964.00000000	  45675002.00000000	  32824030.00000000	  20336987.00000000
    Thr [9]	  92453869.00000000	  80114426.00000000	  73926522.00000000	  73204729.00000000	  62175124.00000000	  55982122.00000000	  43926851.00000000	  46146297.00000000	  36409329.00000000	  29874373.00000000	  20488380.00000000	  12666304.00000000
   Gly [10]	  209425835.00000000	  188941077.00000000	  170812899.00000000	  169377111.00000000	  149712213.00000000	  132307249.00000000	  109404520.00000000	  109002901.00000000	  90247224.00000000	  75746622.00000000	  55486017.00000000	  35572923.00000000
   Lys [11]	  212695869.00000000	  192054400.00000000	  174005267.00000000	  173572913.00000000	  151132554.00000000	  132731695.00000000	  110087097.00000000	  110565465.00000000	  91445434.00000000	  77321603.00000000	  55244608.00000000	  34367900.00000000
   Thr [12]	  169505486.00000000	  146751981.00000000	  131839756.00000000	  131699979.00000000	  114691244.00000000	  97145953.00000000	  79892893.00000000	  79815710.00000000	  65267694.00000000	  53858047.00000000	  37850047.00000000	  22883737.00000000
   Ile [13]	  134786886.00000000	  123850121.00000000	  105316258.00000000	  104550584.00000000	  86409624.00000000	  72869404.00000000	  60645287.00000000	  59562592.00000000	  50295353.00000000	  41339352.00000000	  29066708.00000000	  17625581.00000000
   Thr [14]	  190709289.00000000	  174759650.00000000	  148070359.00000000	  148074757.00000000	  125321644.00000000	  104753170.00000000	  88357743.00000000	  86719434.00000000	  72524493.00000000	  60143153.00000000	  42910259.00000000	  25383387.00000000
   Leu [15]	  145706142.00000000	  140398072.00000000	  115529714.00000000	  117524040.00000000	  93997554.00000000	  80070376.00000000	  66707648.00000000	  66613754.00000000	  57053841.00000000	  48287221.00000000	  34123156.00000000	  20036756.00000000
   Glu [16]	  214072721.00000000	  193376931.00000000	  168192367.00000000	  166880885.00000000	  142514780.00000000	  120482822.00000000	  101238247.00000000	  101217272.00000000	  82557322.00000000	  72772575.00000000	  52211270.00000000	  32384274.00000000
   Val [17]	  184201533.00000000	  164617242.00000000	  140730857.00000000	  138866237.00000000	  115974678.00000000	  96369662.00000000	  79796438.00000000	  78429551.00000000	  64994874.00000000	  54016975.00000000	  36712253.00000000	  21153170.00000000
   Glu [18]	  161862697.00000000	  144852890.00000000	  120735653.00000000	  118888088.00000000	  99669844.00000000	  82856623.00000000	  69964844.00000000	  68369708.00000000	  58201804.00000000	  48097813.00000000	  33638411.00000000	  19426243.00000000
   Ser [20]	  186553323.00000000	  170874697.00000000	  145655168.00000000	  146037792.00000000	  120452290.00000000	  97434664.00000000	  82364260.00000000	  80878489.00000000	  65470166.00000000	  54820229.00000000	  37908353.00000000	  21687083.00000000
   Asp [21]	  234120214.00000000	  201959474.00000000	  168563123.00000000	  168569036.00000000	  141702127.00000000	  117824436.00000000	  98935085.00000000	  98212417.00000000	  80866641.00000000	  65982800.00000000	  45320872.00000000	  26008471.00000000
   Thr [22]	  148985135.00000000	  135571361.00000000	  116898927.00000000	  114309631.00000000	  96399522.00000000	  80849941.00000000	  69007578.00000000	  69716812.00000000	  57938701.00000000	  48065507.00000000	  34362123.00000000	  20544084.00000000
   Ile [23]	  130166765.00000000	  110343630.00000000	  91263775.00000000	  90543469.00000000	  74711673.00000000	  57791526.00000000	  47742251.00000000	  46905388.00000000	  36576924.00000000	  30057245.00000000	  19141321.00000000	  9800785.00000000
   Asn [25]	  153898446.00000000	  132424836.00000000	  105403149.00000000	  106905793.00000000	  82851176.00000000	  64281581.00000000	  48407702.00000000	  48063474.00000000	  36949863.00000000	  28788381.00000000	  16087987.00000000	  7861086.00000000
   Val [26]	  214072721.00000000	  193376931.00000000	  168192367.00000000	  166880885.00000000	  142514780.00000000	  120482822.00000000	  101238247.00000000	  101217272.00000000	  82557322.00000000	  72772575.00000000	  52211270.00000000	  32384274.00000000
   Lys [27]	  138123853.00000000	  121492124.00000000	  101101025.00000000	  100527035.00000000	  84487132.00000000	  68164489.00000000	  58138338.00000000	  57432772.00000000	  47006461.00000000	  39223901.00000000	  26486317.00000000	  14773641.00000000
   Ala [28]	  167506991.00000000	  151362040.00000000	  126760968.00000000	  126948040.00000000	  105639223.00000000	  86755085.00000000	  72134468.00000000	  72702058.00000000	  59724569.00000000	  49361084.00000000	  35230617.00000000	  19605055.00000000
   Lys [29]	  139168003.00000000	  127119045.00000000	  108468661.00000000	  108676452.00000000	  91590887.00000000	  74322609.00000000	  62682722.00000000	  62283899.00000000	  51882642.00000000	  43323694.00000000	  30156398.00000000	  17758385.00000000
   Thr [30]	  166155249.00000000	  148648961.00000000	  125699764.00000000	  124157776.00000000	  103579391.00000000	  87507725.00000000	  72836152.00000000	  73347410.00000000	  58668952.00000000	  49446220.00000000	  33842313.00000000	  20704810.00000000
   Gln [31]	  187983568.00000000	  170264834.00000000	  140600842.00000000	  139799775.00000000	  114393070.00000000	  96341548.00000000	  80826672.00000000	  81037185.00000000	  67666100.00000000	  56572203.00000000	  41154183.00000000	  23218831.00000000
   Asp [32]	  192273331.00000000	  165662916.00000000	  142384817.00000000	  140499771.00000000	  118040726.00000000	  95731485.00000000	  81778874.00000000	  77828977.00000000	  65560343.00000000	  55962459.00000000	  39386256.00000000	  21485575.00000000
   Lys [33]	  197604792.00000000	  181006353.00000000	  151282203.00000000	  150392351.00000000	  125473166.00000000	  105936628.00000000	  88125086.00000000	  88871868.00000000	  74936193.00000000	  62358781.00000000	  44271964.00000000	  25528436.00000000
   Glu [34]	  187721507.00000000	  170535708.00000000	  142693111.00000000	  142458909.00000000	  120504441.00000000	  100644423.00000000	  83058227.00000000	  83444593.00000000	  68914623.00000000	  58656412.00000000	  40017743.00000000	  23484044.00000000
   Gly [35]	  218408500.00000000	  192941353.00000000	  164107312.00000000	  164532510.00000000	  135688135.00000000	  112052045.00000000	  94875720.00000000	  92964585.00000000	  77519038.00000000	  65047430.00000000	  44901689.00000000	  25956747.00000000
   Ile [36]	  214516887.00000000	  191731889.00000000	  163858974.00000000	  161143775.00000000	  140125907.00000000	  115715462.00000000	  98811359.00000000	  97542190.00000000	  83955170.00000000	  72238517.00000000	  49890232.00000000	  31234426.00000000
   Asp [39]	  215522418.00000000	  196296277.00000000	  165629637.00000000	  165189628.00000000	  138945813.00000000	  115776289.00000000	  97008797.00000000	  97480960.00000000	  80855370.00000000	  68233499.00000000	  47130920.00000000	  28158513.00000000
   Gln [40]	  177040172.00000000	  161948932.00000000	  134689242.00000000	  135444412.00000000	  113005767.00000000	  94960033.00000000	  78561452.00000000	  78783772.00000000	  65698185.00000000	  54389533.00000000	  38015917.00000000	  21667865.00000000
   Gln [41]	  144357581.00000000	  132430603.00000000	  111601548.00000000	  111660421.00000000	  93903224.00000000	  77839441.00000000	  66397334.00000000	  65790720.00000000	  55136221.00000000	  46832210.00000000	  32659028.00000000	  19173671.00000000
   Arg [42]	  128204773.00000000	  111212508.00000000	  93896657.00000000	  94576623.00000000	  80654015.00000000	  68494644.00000000	  57626311.00000000	  56878521.00000000	  48695880.00000000	  40079577.00000000	  28850852.00000000	  17848715.00000000
   Leu [43]	  110526191.00000000	  102561945.00000000	  84873040.00000000	  86755238.00000000	  71270005.00000000	  61378275.00000000	  50677057.00000000	  51795641.00000000	  41924736.00000000	  36181357.00000000	  25703381.00000000	  15014569.00000000
   Ile [44]	  130229013.00000000	  116240672.00000000	  98496571.00000000	  98445297.00000000	  84853523.00000000	  70648851.00000000	  59214353.00000000	  59051847.00000000	  49896430.00000000	  41634749.00000000	  29679408.00000000	  17239908.00000000
   Phe [45]	  124131193.00000000	  110369953.00000000	  91993151.00000000	  92910510.00000000	  80528401.00000000	  65516850.00000000	  54286346.00000000	  54575312.00000000	  45305646.00000000	  37561290.00000000	  25561810.00000000	  15515436.00000000
   Ala [46]	  58783063.00000000	  53351172.00000000	  47550219.00000000	  47444964.00000000	  39789441.00000000	  34589540.00000000	  27136450.00000000	  27807162.00000000	  22307556.00000000	  17943478.00000000	  12717014.00000000	  7147546.00000000
   Gly [47]	  175972273.00000000	  156574154.00000000	  133863737.00000000	  133226477.00000000	  111921821.00000000	  93558054.00000000	  77878414.00000000	  77649358.00000000	  63712087.00000000	  54248409.00000000	  38227426.00000000	  22900111.00000000
   Lys [48]	  167597688.00000000	  146528742.00000000	  128714384.00000000	  127451059.00000000	  104853986.00000000	  88450585.00000000	  73189345.00000000	  71466356.00000000	  60546895.00000000	  51170906.00000000	  33932199.00000000	  20631817.00000000
   Gln [49]	  182556983.00000000	  159788363.00000000	  141913449.00000000	  142439431.00000000	  120601476.00000000	  101901635.00000000	  87098653.00000000	  84846319.00000000	  73953934.00000000	  61176058.00000000	  44293551.00000000	  25974943.00000000
   Leu [50]	  135621468.00000000	  122924341.00000000	  105534299.00000000	  105317384.00000000	  88737938.00000000	  73018202.00000000	  62251234.00000000	  61368337.00000000	  51939147.00000000	  44037784.00000000	  29056304.00000000	  17481100.00000000
   Glu [51]	  139101903.00000000	  125530191.00000000	  108987294.00000000	  107856485.00000000	  90931481.00000000	  78265059.00000000	  64261267.00000000	  63970448.00000000	  54288129.00000000	  44160624.00000000	  31306472.00000000	  18263324.00000000
   Asp [52]	  177237101.00000000	  159084740.00000000	  139313075.00000000	  138177640.00000000	  119719156.00000000	  96755053.00000000	  83019180.00000000	  81600089.00000000	  67163788.00000000	  57109939.00000000	  40885876.00000000	  24084209.00000000
   Arg [54]	  146626190.00000000	  131100844.00000000	  109368064.00000000	  109989201.00000000	  91363457.00000000	  76187346.00000000	  65551522.00000000	  63701279.00000000	  53801778.00000000	  44139881.00000000	  31113542.00000000	  18446121.00000000
   Thr [55]	  120915776.00000000	  107365867.00000000	  91061971.00000000	  90994126.00000000	  76656526.00000000	  63637588.00000000	  50647439.00000000	  51548357.00000000	  42145154.00000000	  35179059.00000000	  23268997.00000000	  13532834.00000000
   Leu [56]	  158354275.00000000	  143764284.00000000	  119498536.00000000	  119286285.00000000	  99719098.00000000	  83357653.00000000	  68596447.00000000	  67688633.00000000	  56470546.00000000	  46366970.00000000	  31151699.00000000	  18504244.00000000
   Ser [57]	  207470244.00000000	  190595645.00000000	  161871088.00000000	  162019530.00000000	  135578864.00000000	  113922681.00000000	  93376574.00000000	  94605776.00000000	  79539813.00000000	  65091951.00000000	  44899090.00000000	  26630919.00000000
   Asp [58]	  177828182.00000000	  158483092.00000000	  139662431.00000000	  140192592.00000000	  118507082.00000000	  102813153.00000000	  81534462.00000000	  82248154.00000000	  65660218.00000000	  54991301.00000000	  38113448.00000000	  20950425.00000000
   Tyr [59]	  169726258.00000000	  154161180.00000000	  129738182.00000000	  129049683.00000000	  108830494.00000000	  93045635.00000000	  75500661.00000000	  78140629.00000000	  64367447.00000000	  54982972.00000000	  37987764.00000000	  22007187.00000000
   Asn [60]	  209112805.00000000	  193142336.00000000	  160980576.00000000	  161077945.00000000	  133417017.00000000	  112558802.00000000	  92969037.00000000	  94026166.00000000	  77939237.00000000	  65178569.00000000	  45397519.00000000	  25533155.00000000
   Ile [61]	  148062006.00000000	  133783519.00000000	  115041023.00000000	  114180583.00000000	  96407237.00000000	  79693556.00000000	  66845649.00000000	  65639920.00000000	  55268037.00000000	  47514805.00000000	  32317341.00000000	  19325975.00000000
   Gln [62]	  182508290.00000000	  172686813.00000000	  151209105.00000000	  151804106.00000000	  128838524.00000000	  109014611.00000000	  92243800.00000000	  93461358.00000000	  80177452.00000000	  69239653.00000000	  51376491.00000000	  32380133.00000000
   Lys [63]	  264779040.00000000	  238013905.00000000	  199567195.00000000	  200078262.00000000	  169417774.00000000	  139122448.00000000	  117076501.00000000	  116194948.00000000	  96884351.00000000	  80442811.00000000	  55541821.00000000	  32763753.00000000
   Glu [64]	  142468619.00000000	  128690566.00000000	  109058073.00000000	  108359740.00000000	  91520745.00000000	  74904191.00000000	  62576889.00000000	  63439562.00000000	  51647755.00000000	  43846845.00000000	  30420548.00000000	  17492703.00000000
   Ser [65]	  176435672.00000000	  162518444.00000000	  138200426.00000000	  136821139.00000000	  115221060.00000000	  98525638.00000000	  79183279.00000000	  81078442.00000000	  66816966.00000000	  54964179.00000000	  38207107.00000000	  22267670.00000000
   Thr [66]	  174394112.00000000	  157194759.00000000	  134610436.00000000	  134533171.00000000	  113259288.00000000	  96539861.00000000	  79003165.00000000	  79974459.00000000	  65903277.00000000	  54751845.00000000	  37918417.00000000	  22539607.00000000
   Leu [67]	  127510931.00000000	  118815006.00000000	  100304635.00000000	  99047980.00000000	  83567207.00000000	  68363825.00000000	  57337435.00000000	  55429353.00000000	  46789588.00000000	  40162538.00000000	  27666235.00000000	  16749385.00000000
   His [68]	  128270115.00000000	  116857841.00000000	  98404475.00000000	  98840698.00000000	  83882033.00000000	  69544449.00000000	  58653685.00000000	  57934760.00000000	  48360553.00000000	  41257730.00000000	  28485931.00000000	  16539201.00000000
   Leu [69]	  164552740.00000000	  159276396.00000000	  134761014.00000000	  135075549.00000000	  112932058.00000000	  93208104.00000000	  79207666.00000000	  79184776.00000000	  66605080.00000000	  56309887.00000000	  38815343.00000000	  22896939.00000000
   Val [70]	  130588303.00000000	  121528073.00000000	  100481210.00000000	  100364317.00000000	  81321034.00000000	  67941498.00000000	  56122257.00000000	  55587275.00000000	  45284696.00000000	  37590539.00000000	  25419400.00000000	  13985768.00000000
   Leu [71]	  185879880.00000000	  157304360.00000000	  135506127.00000000	  134234678.00000000	  113905712.00000000	  97371917.00000000	  83256145.00000000	  82605910.00000000	  70723331.00000000	  59096362.00000000	  42561125.00000000	  26460468.00000000
   Arg [72]	  208817799.00000000	  204808943.00000000	  175249608.00000000	  173847639.00000000	  147678966.00000000	  126755359.00000000	  107195863.00000000	  106914392.00000000	  91228953.00000000	  76783747.00000000	  56944814.00000000	  35458540.00000000
   Leu [73]	  246607451.00000000	  244490250.00000000	  220340394.00000000	  219728672.00000000	  199892788.00000000	  179503296.00000000	  160087146.00000000	  160747073.00000000	  137986862.00000000	  127028092.00000000	  97143513.00000000	  66712350.00000000
   Arg [74]	  216332635.00000000	  201210587.00000000	  195309311.00000000	  194355804.00000000	  181850015.00000000	  171200745.00000000	  149171678.00000000	  150968919.00000000	  130562300.00000000	  117108768.00000000	  95775114.00000000	  73256915.00000000
   Gly [75]	  148679258.00000000	  137671954.00000000	  137910479.00000000	  137729023.00000000	  134621656.00000000	  131473524.00000000	  115957005.00000000	  118648401.00000000	  105354387.00000000	  94992709.00000000	  82340100.00000000	  69058779.00000000
   Gly [76]	  427099851.00000000	  421407757.00000000	  420651051.00000000	  419709670.00000000	  409555675.00000000	  408432741.00000000	  379481245.00000000	  388798767.00000000	  367333561.00000000	  351897256.00000000	  324419576.00000000	  294544547.00000000


SECTION:	 integral errors
Mixing time [s]:	       0.01608000	       0.03216000	       0.06432000	       0.06432000	       0.09648000	       0.12864000	       0.16080000	       0.16080000	       0.19296000	       0.22512000	       0.28944000	       0.38592000
Peak name	              I0	              I1	              I2	              I3	              I4	              I5	              I6	              I7	              I8	              I9	             I10	             I11
    Gln [2]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
    Ile [3]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
    Phe [4]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
    Val [5]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
    Lys [6]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
    Thr [7]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
    Leu [8]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
    Thr [9]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
   Gly [10]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
   Lys [11]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
   Thr [12]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
   Ile [13]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
   Thr [14]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
   Leu [15]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
   Glu [16]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
   Val [17]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
   Glu [18]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
   Ser [20]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
   Asp [21]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
   Thr [22]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
   Ile [23]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
   Asn [25]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
   Val [26]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
   Lys [27]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
   Ala [28]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
   Lys [29]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
   Thr [30]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
   Gln [31]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
   Asp [32]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
   Lys [33]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
   Glu [34]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
   Gly [35]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
   Ile [36]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
   Asp [39]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
   Gln [40]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
   Gln [41]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
   Arg [42]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
   Leu [43]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
   Ile [44]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
   Phe [45]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
   Ala [46]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
   Gly [47]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
   Lys [48]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
   Gln [49]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
   Leu [50]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
   Glu [51]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
   Asp [52]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
   Arg [54]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
   Thr [55]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
   Leu [56]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
   Ser [57]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
   Asp [58]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
   Tyr [59]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
   Asn [60]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
   Ile [61]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
   Gln [62]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
   Lys [63]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
   Glu [64]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
   Ser [65]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
   Thr [66]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
   Leu [67]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
   His [68]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
   Leu [69]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
   Val [70]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
   Leu [71]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
   Arg [72]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
   Leu [73]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
   Arg [74]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
   Gly [75]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969
   Gly [76]	  867432.75711818	  871216.05764824	  867483.88684028	  883527.79930409	  870315.49482260	  850240.39454618	  856787.17203265	  873619.75283562	  860701.77776358	  910354.71448385	  883775.37135706	  887909.60037969


SECTION:	 details
Fitted function:	 f(t) = I0 * e-t/T2  to fit I0 and T2
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 E:\data\dynamic\nmr\sample_ber\2D-Ref\pdata\10\peaklist.xml
Used integrals:	 peak intensities
Used Mixing time:	 all values (including replicates) used


SECTION:	 results
Peak name	   F1 [ppm]	   F2 [ppm]	   T2 [s]	   error	   errorScale	   R2 [rad/s]	   R2 sd [rad/s]
Gln [2]	    122.508	      8.898	 0.175187	 0.0026246	 2.2281389	 5.708196	 0.0383819
Ile [3]	    114.800	      8.280	 0.172869	 0.0027396	 2.2281389	 5.784736	 0.0411443
Phe [4]	    118.172	      8.565	 0.175539	 0.0034870	 2.2281389	 5.696750	 0.0507883
Val [5]	    120.902	      9.256	 0.189162	 0.0033071	 2.2281389	 5.286461	 0.0414799
Lys [6]	    127.647	      8.923	 0.173286	 0.0027495	 2.2281389	 5.770818	 0.0410948
Thr [7]	    115.121	      8.703	 0.179945	 0.0026350	 2.2281389	 5.557246	 0.0365228
Leu [8]	    120.902	      9.061	 0.195694	 0.0037903	 2.2281389	 5.110031	 0.0444200
Thr [9]	    105.486	      7.596	 0.197125	 0.0058532	 2.2281389	 5.072915	 0.0676033
Gly [10]	    108.858	      7.784	 0.216134	 0.0028683	 2.2281389	 4.626764	 0.0275573
Lys [11]	    121.545	      7.230	 0.213443	 0.0027722	 2.2281389	 4.685081	 0.0273097
Thr [12]	    120.260	      8.589	 0.192414	 0.0031211	 2.2281389	 5.197130	 0.0378352
Ile [13]	    127.326	      9.508	 0.178698	 0.0035306	 2.2281389	 5.596028	 0.0496209
Thr [14]	    121.223	      8.679	 0.184157	 0.0025933	 2.2281389	 5.430135	 0.0343193
Leu [15]	    124.917	      8.695	 0.182829	 0.0032981	 2.2281389	 5.469588	 0.0442826
Glu [16]	    122.139	      8.082	 0.194006	 0.0024779	 2.2281389	 5.154484	 0.0295467
Val [17]	    117.209	      8.898	 0.172007	 0.0024981	 2.2281389	 5.813732	 0.0378949
Glu [18]	    119.136	      8.630	 0.172920	 0.0028908	 2.2281389	 5.783017	 0.0433894
Ser [20]	    103.077	      6.994	 0.171818	 0.0024222	 2.2281389	 5.820108	 0.0368243
Asp [21]	    123.472	      8.003	 0.169680	 0.0019857	 2.2281389	 5.893455	 0.0309532
Thr [22]	    108.697	      7.832	 0.187274	 0.0034072	 2.2281389	 5.339773	 0.0436009
Ile [23]	    120.902	      8.483	 0.144266	 0.0029650	 2.2281389	 6.931639	 0.0639378
Asn [25]	    121.063	      7.889	 0.126308	 0.0021451	 2.2281389	 7.917167	 0.0603443
Val [26]	    122.187	      8.085	 0.194006	 0.0024779	 2.2281389	 5.154484	 0.0295467
Lys [27]	    118.654	      8.516	 0.166844	 0.0032640	 2.2281389	 5.993634	 0.0526246
Ala [28]	    123.151	      7.946	 0.172948	 0.0027624	 2.2281389	 5.782068	 0.0414482
Lys [29]	    119.939	      7.824	 0.179779	 0.0034439	 2.2281389	 5.562400	 0.0478219
Thr [30]	    120.902	      8.247	 0.175047	 0.0028418	 2.2281389	 5.712764	 0.0416239
Gln [31]	    123.151	      8.516	 0.173816	 0.0024962	 2.2281389	 5.753217	 0.0370813
Asp [32]	    119.457	      7.979	 0.169800	 0.0024069	 2.2281389	 5.889269	 0.0374662
Lys [33]	    115.121	      7.401	 0.181073	 0.0024695	 2.2281389	 5.522649	 0.0338041
Glu [34]	    113.997	      8.687	 0.178710	 0.0025609	 2.2281389	 5.595671	 0.0359883
Gly [35]	    108.537	      8.459	 0.173464	 0.0021464	 2.2281389	 5.764876	 0.0320139
Ile [36]	    119.939	      6.124	 0.190301	 0.0024469	 2.2281389	 5.254847	 0.0303245
Asp [39]	    113.194	      8.483	 0.181533	 0.0022682	 2.2281389	 5.508631	 0.0308901
Gln [40]	    116.566	      7.784	 0.178057	 0.0026948	 2.2281389	 5.616173	 0.0381481
Gln [41]	    117.690	      7.434	 0.184241	 0.0034371	 2.2281389	 5.427669	 0.0454444
Arg [42]	    122.669	      8.467	 0.186022	 0.0040482	 2.2281389	 5.375719	 0.0525045
Leu [43]	    124.114	      8.776	 0.185804	 0.0045200	 2.2281389	 5.382014	 0.0587607
Ile [44]	    122.026	      9.085	 0.186197	 0.0039150	 2.2281389	 5.370662	 0.0506813
Phe [45]	    124.756	      8.817	 0.177861	 0.0038898	 2.2281389	 5.622383	 0.0551856
Ala [46]	    132.465	      8.931	 0.185181	 0.0083431	 2.2281389	 5.400132	 0.1091927
Gly [47]	    102.113	      8.052	 0.179388	 0.0027646	 2.2281389	 5.574507	 0.0385573
Lys [48]	    121.705	      7.946	 0.176211	 0.0028455	 2.2281389	 5.675020	 0.0411299
Gln [49]	    122.669	      8.589	 0.196294	 0.0029805	 2.2281389	 5.094388	 0.0347166
Leu [50]	    125.399	      8.516	 0.183417	 0.0036392	 2.2281389	 5.452068	 0.0485491
Glu [51]	    122.829	      8.337	 0.187014	 0.0036362	 2.2281389	 5.347195	 0.0466609
Asp [52]	    120.099	      8.109	 0.187676	 0.0028644	 2.2281389	 5.328343	 0.0364985
Arg [54]	    118.975	      7.426	 0.177212	 0.0032809	 2.2281389	 5.642946	 0.0468884
Thr [55]	    108.537	      8.792	 0.170545	 0.0037758	 2.2281389	 5.863543	 0.0582618
Leu [56]	    117.690	      8.117	 0.171652	 0.0028910	 2.2281389	 5.825744	 0.0440368
Ser [57]	    113.194	      8.434	 0.181850	 0.0023399	 2.2281389	 5.499036	 0.0317558
Asp [58]	    124.114	      7.897	 0.184222	 0.0027789	 2.2281389	 5.428244	 0.0367493
Tyr [59]	    115.442	      7.222	 0.184001	 0.0029392	 2.2281389	 5.434747	 0.0389628
Asn [60]	    115.603	      8.109	 0.178401	 0.0022754	 2.2281389	 5.605340	 0.0320857
Ile [61]	    118.493	      7.206	 0.181696	 0.0033021	 2.2281389	 5.503702	 0.0448914
Gln [62]	    124.596	      7.572	 0.212065	 0.0031671	 2.2281389	 4.715532	 0.0316067
Lys [63]	    120.260	      8.434	 0.177216	 0.0018053	 2.2281389	 5.642838	 0.0257995
Glu [64]	    114.318	      9.272	 0.177291	 0.0033416	 2.2281389	 5.640444	 0.0477130
Ser [65]	    114.639	      7.629	 0.181654	 0.0027447	 2.2281389	 5.504963	 0.0373298
Thr [66]	    117.048	      8.670	 0.183681	 0.0028440	 2.2281389	 5.444224	 0.0378317
Leu [67]	    127.486	      9.370	 0.177562	 0.0036798	 2.2281389	 5.631841	 0.0523820
His [68]	    119.136	      9.191	 0.183276	 0.0038515	 2.2281389	 5.456254	 0.0514605
Leu [69]	    123.632	      8.255	 0.189646	 0.0030188	 2.2281389	 5.272985	 0.0376706
Val [70]	    126.362	      9.134	 0.166951	 0.0033445	 2.2281389	 5.989779	 0.0538523
Leu [71]	    122.669	      8.044	 0.188160	 0.0028720	 2.2281389	 5.314626	 0.0364073
Arg [72]	    123.472	      8.557	 0.206875	 0.0026405	 2.2281389	 4.833827	 0.0276897
Leu [73]	    124.114	      8.288	 0.295006	 0.0035617	 2.2281389	 3.389761	 0.0183674
Arg [74]	    121.545	      8.378	 0.352478	 0.0053543	 2.2281389	 2.837060	 0.0193417
Gly [75]	    110.624	      8.426	 0.499489	 0.0133751	 2.2281389	 2.002047	 0.0240604
Gly [76]	    114.800	      7.889	 0.981304	 0.0146427	 2.2281389	 1.019053	 0.0068245
