$##1.0

Project:      	Dynamic method/T1
Date:         	Thursday, February 24, 2011 10:01:41 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 
PDB file:	 E:\data\dynamic\nmr\sample_ber\1UBQ_H.pdb


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


SECTION:	 integrals
Mixing time [s]:	       0.01000000	       0.05000000	       0.10000000	       0.10000000	       0.20000000	       0.30000000	       0.40000000	       0.50000000	       0.50000000	       0.70000000	       1.00000000	       1.50000000
Peak name	              I0	              I1	              I2	              I3	              I4	              I5	              I6	              I7	              I8	              I9	             I10	             I11
    Gln [2]	  188221907.00000000	  170715850.00000000	  155029756.00000000	  153590916.00000000	  122823911.00000000	  99589044.00000000	  80386192.00000000	  64045596.00000000	  63158976.00000000	  41739761.00000000	  21211820.00000000	  7618632.00000000
    Ile [3]	  181874689.00000000	  165473246.00000000	  147666938.00000000	  148524160.00000000	  116288129.00000000	  92254697.00000000	  73753362.00000000	  57608294.00000000	  58646397.00000000	  35733527.00000000	  18548893.00000000	  6005615.00000000
    Phe [4]	  147736300.00000000	  133647904.00000000	  117589408.00000000	  119154699.00000000	  93381858.00000000	  74435015.00000000	  58156869.00000000	  46568010.00000000	  47185417.00000000	  29618171.00000000	  14448174.00000000	  4475585.00000000
    Val [5]	  172103680.00000000	  157977126.00000000	  138726372.00000000	  139593108.00000000	  110181985.00000000	  90727929.00000000	  71825742.00000000	  57015817.00000000	  56609499.00000000	  36754012.00000000	  18636098.00000000	  5915940.00000000
    Lys [6]	  184837364.00000000	  169841476.00000000	  149555131.00000000	  149561168.00000000	  118207658.00000000	  96525000.00000000	  75218229.00000000	  60520977.00000000	  60785249.00000000	  39232235.00000000	  19053059.00000000	  5911738.00000000
    Thr [7]	  192406245.00000000	  178220844.00000000	  161282534.00000000	  159685797.00000000	  128408433.00000000	  102309141.00000000	  82353495.00000000	  64542680.00000000	  64903073.00000000	  41463111.00000000	  21578782.00000000	  6967174.00000000
    Leu [8]	  130796113.00000000	  119302010.00000000	  106222149.00000000	  106097448.00000000	  83896652.00000000	  70313374.00000000	  53594025.00000000	  43359729.00000000	  41922537.00000000	  28564305.00000000	  15169905.00000000	  5118688.00000000
    Thr [9]	  80828873.00000000	  73551278.00000000	  65538757.00000000	  66204377.00000000	  53767038.00000000	  47027898.00000000	  36774364.00000000	  30312041.00000000	  30297906.00000000	  20279013.00000000	  11447427.00000000	  4398465.00000000
   Gly [10]	  196444267.00000000	  181408096.00000000	  163517301.00000000	  163740568.00000000	  128910461.00000000	  110597233.00000000	  87159892.00000000	  70063736.00000000	  70482549.00000000	  46864957.00000000	  24391496.00000000	  9338526.00000000
   Lys [11]	  204925786.00000000	  188156171.00000000	  170725817.00000000	  171664068.00000000	  138396013.00000000	  118623502.00000000	  93100167.00000000	  75589849.00000000	  76549623.00000000	  51775645.00000000	  28245193.00000000	  10511265.00000000
   Thr [12]	  155972063.00000000	  145124644.00000000	  130533396.00000000	  127649681.00000000	  101133311.00000000	  86240669.00000000	  66791444.00000000	  53655693.00000000	  53809611.00000000	  35330827.00000000	  19018799.00000000	  6964352.00000000
   Ile [13]	  149073156.00000000	  137648890.00000000	  121932973.00000000	  123353789.00000000	  96407727.00000000	  76851948.00000000	  61598849.00000000	  48577923.00000000	  49077995.00000000	  31877412.00000000	  16991567.00000000	  5467033.00000000
   Thr [14]	  203826075.00000000	  186670441.00000000	  168914930.00000000	  167411869.00000000	  133044702.00000000	  109541506.00000000	  85994201.00000000	  68565235.00000000	  69031018.00000000	  45706119.00000000	  23389399.00000000	  7601632.00000000
   Leu [15]	  158283516.00000000	  143893232.00000000	  129676769.00000000	  126021573.00000000	  100668023.00000000	  80726932.00000000	  65125997.00000000	  51373700.00000000	  52088949.00000000	  33239768.00000000	  16461249.00000000	  6296729.00000000
   Glu [16]	  225963215.00000000	  212325157.00000000	  184562498.00000000	  190140009.00000000	  151892701.00000000	  126339896.00000000	  99325730.00000000	  81217506.00000000	  81240784.00000000	  54639685.00000000	  29386089.00000000	  10259760.00000000
   Val [17]	  195330282.00000000	  178537519.00000000	  158540567.00000000	  160266729.00000000	  126175260.00000000	  101759540.00000000	  79347988.00000000	  63317661.00000000	  64053890.00000000	  40731679.00000000	  20747332.00000000	  6415007.00000000
   Glu [18]	  170100664.00000000	  158220566.00000000	  142372202.00000000	  139627085.00000000	  112860869.00000000	  92924818.00000000	  74749975.00000000	  60510520.00000000	  61354983.00000000	  40540113.00000000	  20870964.00000000	  7150110.00000000
   Ser [20]	  206667085.00000000	  188202370.00000000	  166114180.00000000	  167053174.00000000	  133269379.00000000	  108489522.00000000	  84123329.00000000	  68266768.00000000	  68204704.00000000	  45122277.00000000	  22960355.00000000	  7920875.00000000
   Asp [21]	  252093784.00000000	  225735737.00000000	  202161335.00000000	  202677240.00000000	  161698292.00000000	  126351595.00000000	  101096108.00000000	  79184293.00000000	  79308447.00000000	  48641599.00000000	  24186094.00000000	  7537456.00000000
   Thr [22]	  158822828.00000000	  145220679.00000000	  127802315.00000000	  129052997.00000000	  101234270.00000000	  82890557.00000000	  64809612.00000000	  51810263.00000000	  52344521.00000000	  33530186.00000000	  16842055.00000000	  4971973.00000000
   Ile [23]	  139165254.00000000	  127183675.00000000	  110164756.00000000	  112050649.00000000	  84417439.00000000	  70125039.00000000	  53337849.00000000	  41514679.00000000	  40799801.00000000	  25947688.00000000	  12321715.00000000	  3665780.00000000
   Asn [25]	  169208205.00000000	  152364736.00000000	  135523059.00000000	  136722043.00000000	  106644958.00000000	  85414773.00000000	  65883737.00000000	  51375755.00000000	  52188109.00000000	  32845424.00000000	  15842467.00000000	  4256425.00000000
   Val [26]	  235646394.00000000	  218394909.00000000	  188839431.00000000	  194279364.00000000	  151892701.00000000	  126773388.00000000	  102004963.00000000	  83226525.00000000	  81710722.00000000	  55222728.00000000	  30058947.00000000	  10939380.00000000
   Lys [27]	  146466511.00000000	  134446433.00000000	  117952859.00000000	  119287488.00000000	  93539795.00000000	  75379248.00000000	  58082109.00000000	  45800415.00000000	  45733428.00000000	  29030393.00000000	  14369955.00000000	  3967653.00000000
   Ala [28]	  183087389.00000000	  166098382.00000000	  148631233.00000000	  146815888.00000000	  115468550.00000000	  90010364.00000000	  71937600.00000000	  57235980.00000000	  57096426.00000000	  36050387.00000000	  17905899.00000000	  5287941.00000000
   Lys [29]	  157871398.00000000	  142549971.00000000	  125931036.00000000	  127087384.00000000	  99749407.00000000	  80317945.00000000	  63334994.00000000	  49933573.00000000	  49808151.00000000	  32140080.00000000	  16130921.00000000	  5424571.00000000
   Thr [30]	  184470441.00000000	  168290646.00000000	  146650015.00000000	  150163517.00000000	  113697010.00000000	  90447602.00000000	  71094552.00000000	  57373548.00000000	  55671590.00000000	  36597966.00000000	  18224066.00000000	  4885754.00000000
   Gln [31]	  204881745.00000000	  184287001.00000000	  163186285.00000000	  166581360.00000000	  130000538.00000000	  103291161.00000000	  80123021.00000000	  63010012.00000000	  64053853.00000000	  40240137.00000000	  19779908.00000000	  6412819.00000000
   Asp [32]	  206035470.00000000	  187130556.00000000	  169073538.00000000	  167487239.00000000	  128878170.00000000	  104982870.00000000	  81980949.00000000	  65137953.00000000	  64910564.00000000	  42783169.00000000	  21115101.00000000	  6175989.00000000
   Lys [33]	  212740148.00000000	  194462516.00000000	  175656082.00000000	  173752539.00000000	  139949402.00000000	  112434991.00000000	  91024053.00000000	  72902312.00000000	  72526609.00000000	  46299505.00000000	  24241760.00000000	  7887105.00000000
   Glu [34]	  202083258.00000000	  186077531.00000000	  165899251.00000000	  165095264.00000000	  133557975.00000000	  105670841.00000000	  84452949.00000000	  67781756.00000000	  67018349.00000000	  43605515.00000000	  22094114.00000000	  7249634.00000000
   Gly [35]	  241506461.00000000	  222006098.00000000	  197131421.00000000	  196490618.00000000	  156830176.00000000	  125434750.00000000	  100439539.00000000	  79676985.00000000	  80747732.00000000	  52457372.00000000	  26540226.00000000	  8731184.00000000
   Ile [36]	  234058810.00000000	  218005077.00000000	  195564053.00000000	  195696906.00000000	  158786247.00000000	  133281122.00000000	  105431963.00000000	  87420968.00000000	  88893101.00000000	  60448520.00000000	  33550118.00000000	  13039064.00000000
   Asp [39]	  231493725.00000000	  209189654.00000000	  185905154.00000000	  186077342.00000000	  146789328.00000000	  118799297.00000000	  94957274.00000000	  75061455.00000000	  74535024.00000000	  47398333.00000000	  23745296.00000000	  7231902.00000000
   Gln [40]	  193819563.00000000	  177932952.00000000	  158302631.00000000	  159486024.00000000	  126855965.00000000	  101705817.00000000	  81086278.00000000	  63678183.00000000	  64471977.00000000	  40884502.00000000	  20531223.00000000	  6390964.00000000
   Gln [41]	  155167988.00000000	  142473700.00000000	  126524839.00000000	  127556879.00000000	  101252993.00000000	  81581562.00000000	  65281387.00000000	  52497166.00000000	  52595045.00000000	  33464811.00000000	  16670631.00000000	  5325981.00000000
   Arg [42]	  132318085.00000000	  123493555.00000000	  106143297.00000000	  111806654.00000000	  85129506.00000000	  70470044.00000000	  54134938.00000000	  43503199.00000000	  43946518.00000000	  27513557.00000000	  14001214.00000000	  4693041.00000000
   Leu [43]	  117743446.00000000	  107602632.00000000	  96274144.00000000	  97964494.00000000	  78572832.00000000	  63301420.00000000	  51260876.00000000	  41269809.00000000	  39238878.00000000	  26045828.00000000	  13277650.00000000	  4357848.00000000
   Ile [44]	  139710089.00000000	  130095625.00000000	  115486414.00000000	  114394665.00000000	  90148056.00000000	  73745378.00000000	  57454185.00000000	  46234985.00000000	  45862730.00000000	  29520061.00000000	  14532453.00000000	  4677290.00000000
   Phe [45]	  132867198.00000000	  120805825.00000000	  108270684.00000000	  107100014.00000000	  85889973.00000000	  69091124.00000000	  55020744.00000000	  43236350.00000000	  44260399.00000000	  27503468.00000000	  13441035.00000000	  4826130.00000000
   Ala [46]	  57914597.00000000	  51881309.00000000	  46579229.00000000	  47092814.00000000	  37037144.00000000	  31924167.00000000	  23903155.00000000	  19563653.00000000	  19746012.00000000	  12878110.00000000	  6609089.00000000	  2699082.00000000
   Gly [47]	  188826864.00000000	  172677977.00000000	  151981140.00000000	  152700081.00000000	  123676846.00000000	  102049320.00000000	  79022474.00000000	  63133692.00000000	  64204513.00000000	  41947915.00000000	  21645746.00000000	  7029647.00000000
   Lys [48]	  178431003.00000000	  165617287.00000000	  146584627.00000000	  150749529.00000000	  117496476.00000000	  98262260.00000000	  74737811.00000000	  60170695.00000000	  61619711.00000000	  39233738.00000000	  20328841.00000000	  6156701.00000000
   Gln [49]	  186021781.00000000	  175056129.00000000	  157099110.00000000	  156008670.00000000	  125463985.00000000	  102293402.00000000	  81579021.00000000	  66980952.00000000	  66344623.00000000	  44594468.00000000	  23191461.00000000	  7761648.00000000
   Leu [50]	  143844863.00000000	  132127991.00000000	  117546981.00000000	  119479003.00000000	  94670839.00000000	  76256888.00000000	  59560726.00000000	  48402696.00000000	  48185607.00000000	  30318410.00000000	  15068508.00000000	  4839653.00000000
   Glu [51]	  145894664.00000000	  134099654.00000000	  120946012.00000000	  121216828.00000000	  97978112.00000000	  78347944.00000000	  63562757.00000000	  51163711.00000000	  52797973.00000000	  33220440.00000000	  16651981.00000000	  6038678.00000000
   Asp [52]	  195905463.00000000	  180334422.00000000	  164853593.00000000	  163313105.00000000	  131390726.00000000	  109689711.00000000	  87684801.00000000	  70466565.00000000	  72501426.00000000	  48470051.00000000	  26133017.00000000	  9850633.00000000
   Arg [54]	  158337145.00000000	  145064669.00000000	  129967983.00000000	  130449620.00000000	  102043048.00000000	  83981092.00000000	  67008960.00000000	  53914300.00000000	  53985173.00000000	  35544289.00000000	  18773027.00000000	  6598057.00000000
   Thr [55]	  125689709.00000000	  114960229.00000000	  103498437.00000000	  103430099.00000000	  80896155.00000000	  64811193.00000000	  51404358.00000000	  40829824.00000000	  41911615.00000000	  26866122.00000000	  13687023.00000000	  4107187.00000000
   Leu [56]	  168255466.00000000	  154967127.00000000	  136634823.00000000	  135990949.00000000	  106681521.00000000	  85486309.00000000	  67363079.00000000	  52627948.00000000	  52676455.00000000	  33329474.00000000	  16011504.00000000	  5151936.00000000
   Ser [57]	  222266360.00000000	  203639252.00000000	  182176188.00000000	  181782509.00000000	  144761477.00000000	  116207703.00000000	  90526285.00000000	  72206981.00000000	  71441266.00000000	  45297358.00000000	  22859099.00000000	  7411511.00000000
   Asp [58]	  186091017.00000000	  168301874.00000000	  150697528.00000000	  151946572.00000000	  118337303.00000000	  93943924.00000000	  73474227.00000000	  57766643.00000000	  58410938.00000000	  35629320.00000000	  17647619.00000000	  5556101.00000000
   Tyr [59]	  182353535.00000000	  166629228.00000000	  150558070.00000000	  150011046.00000000	  121323530.00000000	  95925749.00000000	  77125206.00000000	  60634749.00000000	  61111522.00000000	  38930013.00000000	  20178398.00000000	  6734658.00000000
   Asn [60]	  232274110.00000000	  210967445.00000000	  190126440.00000000	  189307384.00000000	  151891486.00000000	  119903539.00000000	  94693227.00000000	  75699056.00000000	  75756423.00000000	  47698283.00000000	  23928648.00000000	  8405669.00000000
   Ile [61]	  163369731.00000000	  147733354.00000000	  132578855.00000000	  131810056.00000000	  102691464.00000000	  82992313.00000000	  64360664.00000000	  51288385.00000000	  52392778.00000000	  33234661.00000000	  16457737.00000000	  5243736.00000000
   Gln [62]	  195292818.00000000	  180098314.00000000	  165607120.00000000	  164228419.00000000	  135334020.00000000	  110794150.00000000	  89402934.00000000	  74016447.00000000	  74633530.00000000	  50249122.00000000	  27828964.00000000	  10877159.00000000
   Lys [63]	  281179848.00000000	  258350481.00000000	  230185994.00000000	  231846663.00000000	  184575436.00000000	  151618598.00000000	  120743661.00000000	  96049008.00000000	  97593757.00000000	  64174356.00000000	  32745570.00000000	  11027506.00000000
   Glu [64]	  151318119.00000000	  138657658.00000000	  123776848.00000000	  122882896.00000000	  97330060.00000000	  77001620.00000000	  60956752.00000000	  48516943.00000000	  49073731.00000000	  30993799.00000000	  15397797.00000000	  5153073.00000000
   Ser [65]	  184598153.00000000	  168471042.00000000	  151200708.00000000	  151588090.00000000	  121730596.00000000	  99328520.00000000	  78782220.00000000	  62742003.00000000	  62983030.00000000	  39920482.00000000	  20786435.00000000	  7055237.00000000
   Thr [66]	  182654649.00000000	  165327131.00000000	  147419506.00000000	  147923225.00000000	  117711125.00000000	  96520239.00000000	  76769191.00000000	  62873606.00000000	  62786605.00000000	  40242044.00000000	  21059009.00000000	  7329810.00000000
   Leu [67]	  143684306.00000000	  131497707.00000000	  115388575.00000000	  114537365.00000000	  90695052.00000000	  74300811.00000000	  59131607.00000000	  45743324.00000000	  47463749.00000000	  31209095.00000000	  16007523.00000000	  5240329.00000000
   His [68]	  140517325.00000000	  128617689.00000000	  114525583.00000000	  114547343.00000000	  91085108.00000000	  73627345.00000000	  58108417.00000000	  46488924.00000000	  46747152.00000000	  30349782.00000000	  15259372.00000000	  4969182.00000000
   Leu [69]	  180495711.00000000	  164962789.00000000	  149583780.00000000	  147708405.00000000	  118473209.00000000	  94724063.00000000	  75166040.00000000	  59510986.00000000	  61175770.00000000	  37846415.00000000	  18656762.00000000	  6386896.00000000
   Val [70]	  143843305.00000000	  131509536.00000000	  117016675.00000000	  118095171.00000000	  91953416.00000000	  73928447.00000000	  58677098.00000000	  46199502.00000000	  46016621.00000000	  29717313.00000000	  14212759.00000000	  4903616.00000000
   Leu [71]	  191455127.00000000	  176651362.00000000	  158015972.00000000	  157904736.00000000	  128801815.00000000	  102927475.00000000	  82348955.00000000	  64723785.00000000	  65167510.00000000	  44107575.00000000	  21833425.00000000	  7546767.00000000
   Arg [72]	  220333907.00000000	  204367568.00000000	  181950724.00000000	  183639051.00000000	  145962293.00000000	  119764773.00000000	  94903357.00000000	  76685950.00000000	  76686350.00000000	  49351551.00000000	  25919565.00000000	  8855974.00000000
   Leu [73]	  241226873.00000000	  225493937.00000000	  202361540.00000000	  204490091.00000000	  169504467.00000000	  145551444.00000000	  117185563.00000000	  95819760.00000000	  96013079.00000000	  65569272.00000000	  39020218.00000000	  16620089.00000000
   Arg [74]	  191883204.00000000	  176872888.00000000	  161473483.00000000	  163244378.00000000	  134860239.00000000	  123123988.00000000	  99579916.00000000	  84545481.00000000	  84896390.00000000	  62306995.00000000	  39809111.00000000	  18680798.00000000
   Gly [75]	  126157098.00000000	  117318927.00000000	  107762024.00000000	  108701708.00000000	  94295201.00000000	  91933672.00000000	  77029905.00000000	  67062951.00000000	  68482726.00000000	  55565058.00000000	  39230387.00000000	  23453548.00000000
   Gly [76]	  404472039.00000000	  392822505.00000000	  379864243.00000000	  379113005.00000000	  351789088.00000000	  330797588.00000000	  303200697.00000000	  278284758.00000000	  278155671.00000000	  237265365.00000000	  190531294.00000000	  131036521.00000000


SECTION:	 integral errors
Mixing time [s]:	       0.01000000	       0.05000000	       0.10000000	       0.10000000	       0.20000000	       0.30000000	       0.40000000	       0.50000000	       0.50000000	       0.70000000	       1.00000000	       1.50000000
Peak name	              I0	              I1	              I2	              I3	              I4	              I5	              I6	              I7	              I8	              I9	             I10	             I11
    Gln [2]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
    Ile [3]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
    Phe [4]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
    Val [5]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
    Lys [6]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
    Thr [7]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
    Leu [8]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
    Thr [9]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
   Gly [10]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
   Lys [11]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
   Thr [12]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
   Ile [13]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
   Thr [14]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
   Leu [15]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
   Glu [16]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
   Val [17]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
   Glu [18]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
   Ser [20]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
   Asp [21]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
   Thr [22]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
   Ile [23]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
   Asn [25]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
   Val [26]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
   Lys [27]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
   Ala [28]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
   Lys [29]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
   Thr [30]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
   Gln [31]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
   Asp [32]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
   Lys [33]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
   Glu [34]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
   Gly [35]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
   Ile [36]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
   Asp [39]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
   Gln [40]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
   Gln [41]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
   Arg [42]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
   Leu [43]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
   Ile [44]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
   Phe [45]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
   Ala [46]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
   Gly [47]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
   Lys [48]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
   Gln [49]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
   Leu [50]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
   Glu [51]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
   Asp [52]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
   Arg [54]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
   Thr [55]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
   Leu [56]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
   Ser [57]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
   Asp [58]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
   Tyr [59]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
   Asn [60]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
   Ile [61]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
   Gln [62]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
   Lys [63]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
   Glu [64]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
   Ser [65]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
   Thr [66]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
   Leu [67]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
   His [68]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
   Leu [69]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
   Val [70]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
   Leu [71]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
   Arg [72]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
   Leu [73]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
   Arg [74]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
   Gly [75]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618
   Gly [76]	  897542.47418861	  896854.72297723	  897490.21067925	  878081.13588050	  897985.79603740	  913382.23030477	  888948.93460278	  905641.14635477	  903540.85559709	  912300.24401111	  899610.64435054	  908895.14915618


SECTION:	 details
Fitted function:	 f(t) = I0 * e-t/T1  to fit I0 and T1
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]	   T1 [s]	   error	   errorScale	   R1 [rad/s]	   R1 sd [rad/s]
Gln [2]	    122.508	      8.898	 0.455964	 0.0068944	 2.2281389	 2.193154	 0.0148831
Ile [3]	    114.800	      8.280	 0.428915	 0.0066831	 2.2281389	 2.331464	 0.0163040
Phe [4]	    118.172	      8.565	 0.425840	 0.0082278	 2.2281389	 2.348298	 0.0203633
Val [5]	    120.902	      9.256	 0.444626	 0.0073507	 2.2281389	 2.249082	 0.0166877
Lys [6]	    127.647	      8.914	 0.438708	 0.0067408	 2.2281389	 2.279420	 0.0157187
Thr [7]	    115.121	      8.703	 0.450505	 0.0065654	 2.2281389	 2.219733	 0.0145184
Leu [8]	    120.902	      9.061	 0.446379	 0.0097167	 2.2281389	 2.240248	 0.0218862
Thr [9]	    105.486	      7.596	 0.508068	 0.0181498	 2.2281389	 1.968241	 0.0315564
Gly [10]	    108.858	      7.784	 0.478923	 0.0069071	 2.2281389	 2.088020	 0.0135152
Lys [11]	    121.545	      7.230	 0.500560	 0.0069525	 2.2281389	 1.997764	 0.0124534
Thr [12]	    120.260	      8.581	 0.462003	 0.0083643	 2.2281389	 2.164486	 0.0175872
Ile [13]	    127.326	      9.508	 0.440033	 0.0083279	 2.2281389	 2.272555	 0.0193029
Thr [14]	    121.223	      8.679	 0.454693	 0.0063159	 2.2281389	 2.199286	 0.0137106
Leu [15]	    124.756	      8.695	 0.438705	 0.0079068	 2.2281389	 2.279434	 0.0184379
Glu [16]	    122.139	      8.081	 0.479129	 0.0059839	 2.2281389	 2.087119	 0.0116987
Val [17]	    117.209	      8.898	 0.437689	 0.0063469	 2.2281389	 2.284726	 0.0148692
Glu [18]	    119.136	      8.630	 0.474376	 0.0078907	 2.2281389	 2.108033	 0.0157373
Ser [20]	    103.077	      6.994	 0.445760	 0.0061582	 2.2281389	 2.243358	 0.0139094
Asp [21]	    123.472	      8.003	 0.425686	 0.0048213	 2.2281389	 2.349147	 0.0119410
Thr [22]	    108.697	      7.832	 0.439544	 0.0078749	 2.2281389	 2.275084	 0.0182934
Ile [23]	    120.902	      8.483	 0.405302	 0.0082766	 2.2281389	 2.467297	 0.0226127
Asn [25]	    121.063	      7.889	 0.417428	 0.0070222	 2.2281389	 2.395623	 0.0180870
Val [26]	    122.187	      8.076	 0.468735	 0.0056780	 2.2281389	 2.133402	 0.0115985
Lys [27]	    118.654	      8.516	 0.423265	 0.0081709	 2.2281389	 2.362587	 0.0204693
Ala [28]	    123.151	      7.946	 0.419321	 0.0065113	 2.2281389	 2.384809	 0.0166201
Lys [29]	    119.778	      7.824	 0.429743	 0.0077809	 2.2281389	 2.326970	 0.0189091
Thr [30]	    120.902	      8.247	 0.413113	 0.0063654	 2.2281389	 2.420645	 0.0167396
Gln [31]	    123.151	      8.516	 0.421539	 0.0058624	 2.2281389	 2.372260	 0.0148068
Asp [32]	    119.457	      7.979	 0.426754	 0.0058742	 2.2281389	 2.343273	 0.0144760
Lys [33]	    115.121	      7.393	 0.456046	 0.0060817	 2.2281389	 2.192763	 0.0131240
Glu [34]	    113.997	      8.687	 0.446808	 0.0062499	 2.2281389	 2.238095	 0.0140504
Gly [35]	    108.537	      8.459	 0.445209	 0.0052284	 2.2281389	 2.246135	 0.0118385
Ile [36]	    119.939	      6.124	 0.502203	 0.0060943	 2.2281389	 1.991228	 0.0108449
Asp [39]	    113.194	      8.483	 0.435980	 0.0053834	 2.2281389	 2.293684	 0.0127111
Gln [40]	    116.566	      7.784	 0.443530	 0.0064664	 2.2281389	 2.254641	 0.0147528
Gln [41]	    117.690	      7.434	 0.449556	 0.0082079	 2.2281389	 2.224417	 0.0182273
Arg [42]	    122.669	      8.467	 0.438518	 0.0093080	 2.2281389	 2.280409	 0.0217239
Leu [43]	    124.114	      8.776	 0.460339	 0.0110682	 2.2281389	 2.172311	 0.0234412
Ile [44]	    122.026	      9.085	 0.438684	 0.0088293	 2.2281389	 2.279544	 0.0205911
Phe [45]	    124.756	      8.809	 0.441269	 0.0094487	 2.2281389	 2.266189	 0.0217781
Ala [46]	    132.465	      8.931	 0.460208	 0.0228343	 2.2281389	 2.172932	 0.0483880
Gly [47]	    102.113	      8.044	 0.456263	 0.0068961	 2.2281389	 2.191717	 0.0148673
Lys [48]	    121.705	      7.946	 0.454172	 0.0071454	 2.2281389	 2.201810	 0.0155468
Gln [49]	    122.669	      8.589	 0.472999	 0.0071233	 2.2281389	 2.114171	 0.0142895
Leu [50]	    125.399	      8.516	 0.445518	 0.0087348	 2.2281389	 2.244579	 0.0197506
Glu [51]	    122.829	      8.337	 0.468716	 0.0090864	 2.2281389	 2.133487	 0.0185623
Asp [52]	    119.939	      8.109	 0.488758	 0.0070756	 2.2281389	 2.046001	 0.0132932
Arg [54]	    118.975	      7.426	 0.456173	 0.0081824	 2.2281389	 2.192151	 0.0176473
Thr [55]	    108.537	      8.792	 0.439543	 0.0098878	 2.2281389	 2.275093	 0.0229697
Leu [56]	    117.690	      8.109	 0.422097	 0.0070906	 2.2281389	 2.369124	 0.0178614
Ser [57]	    113.194	      8.434	 0.435133	 0.0055263	 2.2281389	 2.298150	 0.0130993
Asp [58]	    124.114	      7.897	 0.420657	 0.0064053	 2.2281389	 2.377232	 0.0162459
Tyr [59]	    115.442	      7.222	 0.449317	 0.0069618	 2.2281389	 2.225601	 0.0154766
Asn [60]	    115.603	      8.109	 0.437713	 0.0053400	 2.2281389	 2.284601	 0.0125089
Ile [61]	    118.493	      7.206	 0.426933	 0.0074409	 2.2281389	 2.342287	 0.0183215
Gln [62]	    124.596	      7.572	 0.506648	 0.0073560	 2.2281389	 1.973756	 0.0128614
Lys [63]	    120.260	      8.434	 0.461866	 0.0046613	 2.2281389	 2.165131	 0.0098068
Glu [64]	    114.318	      9.272	 0.431191	 0.0080626	 2.2281389	 2.319157	 0.0194624
Ser [65]	    114.639	      7.629	 0.456789	 0.0070215	 2.2281389	 2.189195	 0.0151027
Thr [66]	    117.048	      8.662	 0.458386	 0.0071943	 2.2281389	 2.181569	 0.0153668
Leu [67]	    127.486	      9.370	 0.440943	 0.0087785	 2.2281389	 2.267869	 0.0202635
His [68]	    119.136	      9.191	 0.445135	 0.0089911	 2.2281389	 2.246511	 0.0203651
Leu [69]	    123.632	      8.255	 0.444745	 0.0069606	 2.2281389	 2.248480	 0.0157936
Val [70]	    126.362	      9.134	 0.431874	 0.0084928	 2.2281389	 2.315492	 0.0204360
Leu [71]	    122.669	      8.044	 0.459630	 0.0067783	 2.2281389	 2.175662	 0.0143999
Arg [72]	    123.472	      8.557	 0.462167	 0.0059132	 2.2281389	 2.163721	 0.0124246
Leu [73]	    124.114	      8.288	 0.538610	 0.0063631	 2.2281389	 1.856632	 0.0098441
Arg [74]	    121.545	      8.378	 0.620132	 0.0094987	 2.2281389	 1.612559	 0.0110854
Gly [75]	    110.624	      8.426	 0.860138	 0.0215613	 2.2281389	 1.162604	 0.0130796
Gly [76]	    114.800	      7.889	 1.310509	 0.0113189	 2.2281389	 0.763062	 0.0029579
