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CCPNMR  November 2007

CCPNMR November 2007

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Subject:

Re: Traceback Error when fitting rates

From:

Johnny Eugene Croy <[log in to unmask]>

Reply-To:

CcpNmr software mailing list <[log in to unmask]>

Date:

Sat, 24 Nov 2007 10:56:04 -0700

Content-Type:

multipart/mixed

Parts/Attachments:

Parts/Attachments

text/plain (7 lines) , peakfit_output.txt (1 lines) , Picture 1.png (1 lines) , Picture 2.png (1 lines)

Wayne,

Sorry it's thanksgiving here in the US (national traitor day in the UK : ) !!!). I installed the update and have attached two .png files that contain the popup windows that came up when the fit finished. It seems that for most of the peaks a fit was done and I am not convinced that these errors are with analysis, but rather they are coming from the program not being able to fit the data. Let me know what you think. I have also attached the output from this fitting for you to look at. Let me know if there is anything else that I can do.

- Johnny


Number # Assign F1 Assign F2 TC TC Error Fit Error Num Peaks Function Fit Param 1 Fit Param 2 Fit Param 3 Param Error 1 Param Error 2 Param Error 3
1 3 A3GlyN A3GlyH 363.12641 -209.83468 0.85727 8 A exp(-Bx) + C 6.72326e+05 0.00275 1.18772e+05 1.29088e+06 0.00602 1.29520e+06
2 96 A4SerN A4SerH -1627.75030 -220.45792 0.45683 8 A exp(-Bx) + C 8.76492e+05 -6.14345e-04 -1.14894e+04 6.72279e+06 0.00462 6.72398e+06
3 4 A11GlyN A11GlyH 2518.29984 -162.53821 0.59187 8 A exp(-Bx) + C 5.74420e+05 3.97093e-04 -7.44731e+04 8.71103e+06 0.00618 8.71166e+06
4 52 A12SerN A12SerH 864.75785 -53.56422 1.14248 8 A exp(-Bx) + C 1.06317e+06 0.00116 2.17156e+05 1.64362e+07 0.01874 1.64463e+07
5 40 A13MetN A13MetH 3046.99073 -713.14135 0.64799 8 A exp(-Bx) + C 2.18042e+06 3.28193e-04 9.34721e+04 9.53714e+06 0.00148 9.53761e+06
6 6 A14GlyN A14GlyH 1569.05848 -849.44375 1.06858 8 A exp(-Bx) + C 2.32902e+06 6.37325e-04 -3.28112e+04 4.99933e+06 0.00146 5.00026e+06
7 49 A15GluN A15GluH 2.82548e+04 -3738.30381 1.14483 8 A exp(-Bx) + C 3.45919e+06 3.53922e-05 -1.23050e+04 1.67343e+06 2.72104e-04 1.67343e+06
8 46 A16AspN A16AspH 1215.90369 -507.50134 0.60027 8 A exp(-Bx) + C 3.39360e+06 8.22434e-04 -4.33815e+05 9.04038e+06 0.00227 9.04319e+06
9 77 A17ValN A17ValH 1005.19541 -143.08316 0.79089 8 A exp(-Bx) + C 1.66711e+06 9.94831e-04 4.03751e+05 1.14633e+07 0.00713 1.14685e+07
10 69 A18IleN A18IleH -1713.57669 -159.69232 0.95373 8 A exp(-Bx) + C 1.34574e+06 -5.83575e-04 -2.75915e+05 1.48448e+07 0.00632 1.48471e+07
11 79 A19AspN A19AspH 1.00579e+04 -1666.29779 0.59374 8 A exp(-Bx) + C 8.06031e+05 9.94247e-05 -4.77694e+04 8.68336e+05 6.16176e-04 8.68338e+05
12 44 A20SerN A20SerH 938.86454 -450.39746 0.88497 8 A exp(-Bx) + C 6.24462e+05 0.00107 2.79133e+04 1.31739e+06 0.00265 1.31803e+06
13 74 A21LeuN A21LeuH -1.19543e+04 -1379.58278 0.73503 8 A exp(-Bx) + C 8.24501e+05 -8.36519e-05 -4.62687e+04 1.07113e+06 7.34385e-04 1.07113e+06
14 104 A22GlnN A22GlnH -4359.67800 -442.79073 1.04221 8 A exp(-Bx) + C 1.57229e+06 -2.29375e-04 -1.69954e+05 1.53397e+07 0.00228 1.53401e+07
15 97 A23LeuN A23LeuH 3217.42268 -610.91260 0.67142 8 A exp(-Bx) + C 1.89313e+06 3.10808e-04 1.87781e+05 1.00353e+07 0.00169 1.00358e+07
16 73 A24AsnN A24AsnH -2567.96630 -244.77396 0.78119 8 A exp(-Bx) + C 1.11393e+06 -3.89413e-04 -1.56161e+05 1.18624e+07 0.00412 1.18633e+07
17 80 A25GluN A25GluH 2684.51857 -264.14777 0.60186 8 A exp(-Bx) + C 8.86017e+05 3.72506e-04 -4.40553e+04 8.85814e+06 0.00382 8.85870e+06
18 112 A27LeuN A27LeuH -564.16319 -134.81420 0.65426 8 A exp(-Bx) + C 6.07935e+05 -0.00177 -1.82528e+05 2.86010e+06 0.00782 2.86433e+06
19 105 A28AsnN A28AsnH -2894.18208 -253.96860 1.08695 8 A exp(-Bx) + C 1.35245e+06 -3.45521e-04 -2.18566e+05 1.55339e+07 0.00397 1.55348e+07
20 86 A29AlaN A29AlaH -4130.16692 -245.88268 0.79034 8 A exp(-Bx) + C 7.01157e+05 -2.42121e-04 1.65097e+04 1.16325e+07 0.00408 1.16328e+07
21 107 A30GlyN A30GlyH -927.32738 -323.52632 1.05820 8 A exp(-Bx) + C 5.12573e+05 -0.00108 1233.75781 1.50915e+06 0.00343 1.51001e+06
22 91 A31GluN A31GluH 2027.52823 -187.96037 0.63468 8 A exp(-Bx) + C 9.23648e+05 4.93211e-04 6.03811e+04 9.79655e+06 0.00537 9.79764e+06
23 98 A32TyrN A32TyrH 9.28731 1.89161 0.85091 8 A exp(-Bx) + C 8.07793e+05 0.10767 1.04886e+06 6.25792e+04 0.02109 2.41153e+04
24 99 A33LysN A33LysH 654.32793 -2300.52557 0.46927 8 A exp(-Bx) + C 6.90199e+05 0.00153 9.60291e+04 7.02627e+05 0.00176 7.03347e+05
25 56 A34IleN A34IleH 11.10478 1.12569 0.98559 8 A exp(-Bx) + C 1.71705e+06 0.09005 4.65008e+05 7.02137e+04 0.00904 2.99956e+04
26 22 A35GlyN A35GlyH 1029.35334 -241.92335 0.93627 8 A exp(-Bx) + C 3.72629e+05 9.71484e-04 2.13839e+04 1.39054e+06 0.00435 1.39110e+06
27 25 A36GluN A36GluH -809.68746 -1483.31387 0.43197 8 A exp(-Bx) + C 4.90170e+05 -0.00124 1.18046e+05 6.13503e+05 0.00162 6.13961e+05
28 84 A37LeuN A37LeuH 7.96891 -1.73629 3.62855 8 A exp(-Bx) + C 1.36922e+05 0.12549 1.10776e+06 2.55587e+05 0.60210 8.88135e+04
29 11 A39PheN A39PheH 945.82398 -248.34516 1.51559 8 A exp(-Bx) + C 1.84866e+06 0.00106 -2.21129e+05 7.08840e+06 0.00429 7.09202e+06
30 88 A40GlnN A40GlnH 5789.60772 -786.08761 0.88207 8 A exp(-Bx) + C 1.85776e+06 1.72723e-04 5.67285e+04 1.31841e+07 0.00130 1.31843e+07
31 18 A41SerN A41SerH 9.15743 0.99222 0.86210 8 A exp(-Bx) + C 1.50595e+06 0.10920 2.95927e+05 6.35758e+04 0.01170 2.43147e+04
32 9 A42IleN A42IleH 181.38127 387.56262 0.64380 8 A exp(-Bx) + C 1.33961e+06 0.00551 7.25972e+04 8.45186e+05 0.00437 8.56341e+05
33 55 A43ArgN A43ArgH 35.52978 6.96033 1.49179 8 A exp(-Bx) + C 2.15587e+06 0.02815 5.70697e+05 1.49503e+05 0.00532 1.63580e+05
34 67 A45SerN A45SerH -1.33078e+04 -1027.34643 0.45991 8 A exp(-Bx) + C 6.88939e+05 -7.51437e-05 -8709.75977 7.48369e+06 9.79148e-04 7.48370e+06
35 92 A47GluN A47GluH 706.56098 -200.88585 1.07151 8 A exp(-Bx) + C 4.82124e+05 0.00142 4.70862e+04 1.60243e+06 0.00535 1.60384e+06
36 12 A55ValN A55ValH 17.80921 1.54113 0.73341 8 A exp(-Bx) + C 1.50281e+06 0.05615 4.25524e+05 4.97353e+04 0.00482 3.12734e+04
37 70 A56AsnN A56AsnH 841.59623 1614.57086 0.88490 8 A exp(-Bx) + C 1.97836e+06 0.00119 -6.91953e+04 1.31896e+06 9.18231e-04 1.31977e+06
38 14 A57LeuN A57LeuH -1717.93882 -184.46564 1.55312 8 A exp(-Bx) + C 2.41874e+06 -5.82093e-04 -6.10264e+05 2.32108e+07 0.00548 2.32145e+07
39 8 A58PheN A58PheH -1430.00721 -336.71101 0.84818 8 A exp(-Bx) + C 2.64584e+06 -6.99297e-04 -5.61265e+05 1.21195e+07 0.00313 1.21222e+07
40 2 A59GlyN A59GlyH -2654.31702 -328.52823 1.21042 8 A exp(-Bx) + C 2.23027e+06 -3.76745e-04 -2.31726e+05 1.83805e+07 0.00309 1.83817e+07
41 110 A60IleN A60IleH -755.60142 -121.93426 0.83891 8 A exp(-Bx) + C 5.64304e+05 -0.00132 -1.75731e+05 3.74321e+06 0.00841 3.74629e+06
42 106 A61ValN A61ValH 9.14358 0.39503 0.32620 8 A exp(-Bx) + C 1.41632e+06 0.10937 4.05076e+05 2.40631e+04 0.00472 9195.56055
43 95 A63AspN A63AspH 2451.02310 -413.64309 0.83277 8 A exp(-Bx) + C 2.16358e+06 4.07993e-04 -1.67193e+05 1.28546e+07 0.00248 1.28556e+07
44 31 A68ArgN A68ArgH 491.43718 -215.16011 0.72075 8 A exp(-Bx) + C 1.35530e+06 0.00203 -6.48798e+05 3.31104e+06 0.00541 3.31726e+06
45 111 A72HisN A72HisH -696.36867 -464.28198 0.40642 8 A exp(-Bx) + C 2.91468e+05 -0.00144 2.38790e+04 5.74476e+05 0.00287 5.75053e+05
46 32 A79ThrN A79ThrH -592.73173 -848.49836 0.96007 8 A exp(-Bx) + C 9.43596e+05 -0.00169 -1.93922e+05 1.34744e+06 0.00238 1.34930e+06
47 81 A80ThrN A80ThrH 2.37497 -0.96622 0.97251 8 A exp(-Bx) + C 6.72606e+05 0.42106 3.04799e+05 7.89704e+05 1.18462 2.29795e+04
48 19 A81ValN A81ValH -912.67141 -135.73266 0.69633 8 A exp(-Bx) + C 1.41932e+06 -0.00110 -9496.57812 1.01666e+07 0.00753 1.01723e+07
49 100 A82TyrN A82TyrH 314.06814 -104.48368 1.11501 8 A exp(-Bx) + C 5.82993e+05 0.00318 9.94187e+04 1.67176e+06 0.01053 1.67924e+06
50 24 A83LeuN A83LeuH -661.13164 -502.85936 1.44751 8 A exp(-Bx) + C 1.10723e+06 -0.00151 -1.23068e+05 2.04271e+06 0.00280 2.04498e+06
51 5 A87ThrN A87ThrH 233.39007 113.28407 2.75349 8 A exp(-Bx) + C 4.23822e+06 0.00428 -1.38232e+06 1.33964e+06 0.00174 1.34906e+06
52 82 A88CysN A88CysH 17.78381 1.78622 0.57175 8 A exp(-Bx) + C 1.01157e+06 0.05623 4.01010e+05 3.87738e+04 0.00559 2.43467e+04
53 34 A95LeuN A95LeuH 171.47738 -534.38125 0.58107 8 A exp(-Bx) + C 1.36121e+06 0.00583 -2.13397e+05 1.25999e+06 0.00684 1.27873e+06
54 23 A97IleN A97IleH -1055.38071 -89.59997 1.26750 8 A exp(-Bx) + C 1.51693e+06 -9.47525e-04 -1.92228e+04 1.86482e+07 0.01124 1.86560e+07
55 101 A98HisN A98HisH 16.41150 1.92996 1.08165 8 A exp(-Bx) + C 1.61150e+06 0.06093 5.32734e+05 7.35922e+04 0.00707 4.27412e+04
56 39 A99LeuN A99LeuH -1717.19014 -189.00113 1.21730 8 A exp(-Bx) + C 1.87102e+06 -5.82347e-04 -3.02444e+05 1.75206e+07 0.00535 1.75234e+07
57 50 A100PheN A100PheH -477.49230 -363.66753 4.33197 8 A exp(-Bx) + C 1.23986e+06 -0.00209 -3.20051e+05 1.90639e+06 0.00388 1.91144e+06
58 1 A101SerN A101SerH 14.90716 2.08873 0.69461 8 A exp(-Bx) + C 8.62948e+05 0.06708 1.85542e+05 4.76359e+04 0.00922 2.53568e+04
59 61 A103GlnN A103GlnH 569.83123 -45.82087 1.13569 8 A exp(-Bx) + C 4.56363e+05 0.00175 1.57160e+05 5.29879e+06 0.02196 5.30620e+06
60 109 A104GlyN A104GlyH 1562.46963 -71.96604 0.56464 8 A exp(-Bx) + C 3.93227e+05 6.40012e-04 -4.57243e+04 8.30930e+06 0.01392 8.31086e+06
61 94 A107LeuN A107LeuH 5.28254 2.23010 1.18801 8 A exp(-Bx) + C 9.59235e+05 0.18930 2.33110e+05 1.08944e+05 0.06923 2.97656e+04
62 33 A109ValN A109ValH 53.63185 -27.95323 2.07026 8 A exp(-Bx) + C 1.08274e+05 0.01865 3.36202e+05 1.25886e+05 0.04373 1.05712e+05
63 13 A117LeuN A117LeuH -1520.19953 -217.75226 1.05801 8 A exp(-Bx) + C 2.07614e+06 -6.57808e-04 -3.29125e+05 1.51181e+07 0.00468 1.51212e+07
64 16 A118LeuN A118LeuH -1844.94991 -168.36864 1.18333 8 A exp(-Bx) + C 1.65332e+06 -5.42020e-04 -4.41120e+05 1.85770e+07 0.00599 1.85795e+07
65 10 A119LeuN A119LeuH 6008.65900 -168.69529 1.76613 8 A exp(-Bx) + C 2.44708e+06 1.66426e-04 -5.60245e+05 8.62156e+07 0.00593 8.62168e+07
66 15 A120HisN A120HisH -876.42530 -2224.54026 1.39447 8 A exp(-Bx) + C 1.73903e+06 -0.00114 -3.39702e+05 1.98520e+06 0.00139 1.98647e+06
67 83 A121GlnN A121GlnH 96.96538 33.86623 1.13571 8 A exp(-Bx) + C 9.44630e+05 0.01031 2.60912e+05 1.77522e+05 0.00325 1.80594e+05
68 30 A122IleN A122IleH -631.69570 -281.23112 1.44963 8 A exp(-Bx) + C 2.30247e+06 -0.00158 -7.92520e+05 6.39496e+06 0.00416 6.40250e+06
69 17 A123ThrN A123ThrH 160.98629 101.36777 1.10982 8 A exp(-Bx) + C 1.47195e+06 0.00621 -5460.30859 5.32404e+05 0.00300 5.40472e+05
70 37 A124LeuN A124LeuH 1.49633 -0.26117 0.43479 8 A exp(-Bx) + C 8.06796e+05 0.66830 1.86759e+05 3.17750e+06 3.94228 9739.14258
71 21 A125ArgN A125ArgH 6.36909 0.68002 0.48905 8 A exp(-Bx) + C 1.11050e+06 0.15701 2.87247e+05 4.00312e+04 0.01658 1.26004e+04
72 35 A126SerN A126SerH 8.46776 0.50161 0.54947 8 A exp(-Bx) + C 1.81043e+06 0.11810 5.90163e+05 4.11847e+04 0.00697 1.51172e+04
73 59 A130ArgN A130ArgH 47.24902 -29.92128 0.87001 8 A exp(-Bx) + C 1.49463e+05 0.02116 4.43326e+05 1.33673e+05 0.04368 1.48918e+05
74 102 A132GlnN A132GlnH -1062.87045 -152.41321 0.61746 8 A exp(-Bx) + C 1.24204e+06 -9.40848e-04 -2.45564e+05 9.15410e+06 0.00669 9.15788e+06
75 113 A135SerN A135SerH 295.09212 -46.27630 0.89898 8 A exp(-Bx) + C 2.38828e+05 0.00339 6.80831e+04 1.34293e+06 0.02213 1.34973e+06
76 114 A138GlnN A138GlnH 2116.95426 -82.83731 0.61311 8 A exp(-Bx) + C 3.61732e+05 4.72377e-04 1695.64795 9.02331e+06 0.01209 9.02424e+06
77 36 A140ArgN A140ArgH 19.89901 7.21440 1.53664 8 A exp(-Bx) + C 8.64757e+05 0.05025 1.12042e+06 1.04572e+05 0.01630 7.36376e+04
78 28 A141TyrN A141TyrH 2242.33790 -184.87504 2.40130 8 A exp(-Bx) + C 3.16410e+06 4.45963e-04 -6.43670e+05 3.76996e+07 0.00545 3.77030e+07
79 29 A142AlaN A142AlaH -3962.56871 -441.61445 1.25241 8 A exp(-Bx) + C 2.11948e+06 -2.52362e-04 -1.56546e+05 1.90188e+07 0.00229 1.90193e+07
80 87 A143LeuN A143LeuH 6.75515 0.75024 0.96923 8 A exp(-Bx) + C 2.00872e+06 0.14804 4.14313e+05 7.74732e+04 0.01624 2.52482e+04
81 43 A144TrpN A144TrpH -7.70749e+04 -2644.70217 0.79906 8 A exp(-Bx) + C 1.68842e+06 -1.29744e-05 -2.39460e+04 1.17568e+05 3.78559e-04 1.17572e+05
82 89 A149SerN A149SerH 1.75050e+04 -832.69795 0.73131 8 A exp(-Bx) + C 7.09828e+05 5.71264e-05 -2.33937e+04 1.06045e+07 0.00120 1.06045e+07
83 42 A150AsnN A150AsnH -4470.08512 -730.03685 1.11837 8 A exp(-Bx) + C 2.84410e+06 -2.23709e-04 -1.91372e+05 1.75592e+07 0.00141 1.75596e+07
84 51 A151SerN A151SerH -3967.24875 -293.27555 0.87157 8 A exp(-Bx) + C 1.00067e+06 -2.52064e-04 -1.97435e+05 1.34542e+07 0.00343 1.34546e+07
85 38 A152LysN A152LysH 2897.50596 -250.46957 0.42573 8 A exp(-Bx) + C 5.69271e+05 3.45124e-04 6081.48633 6.46480e+06 0.00402 6.46516e+06
86 53 A153AspN A153AspH -1680.94034 -185.63943 1.22092 8 A exp(-Bx) + C 2.05074e+06 -5.94905e-04 -4.45104e+05 1.91667e+07 0.00545 1.91698e+07
87 108 A154ThrN A154ThrH -675.01926 -529.03099 0.84638 8 A exp(-Bx) + C 6.61023e+05 -0.00148 7.35890e+04 1.19529e+06 0.00270 1.19657e+06
88 78 A155LeuN A155LeuH -2956.35721 -247.33457 0.71127 8 A exp(-Bx) + C 9.10996e+05 -3.38254e-04 -5.30689e+04 1.09795e+07 0.00407 1.09801e+07
89 48 A156CysN A156CysH -1441.27399 -183.57602 0.89802 8 A exp(-Bx) + C 1.60506e+06 -6.93831e-04 -3.61965e+05 1.31158e+07 0.00553 1.31187e+07
90 93 A163LeuN A163LeuH 1.99158 -14.71816 0.70559 8 A exp(-Bx) + C 2.94548e+06 0.50211 7.07974e+05 1.57417e+06 0.53723 1.67137e+04
91 47 A164MetN A164MetH 12.61464 1.45960 1.50693 8 A exp(-Bx) + C 2.25999e+06 0.07927 7.60568e+05 1.05446e+05 0.00905 4.91417e+04
92 103 A165LysN A165LysH 15.08506 6.37804 0.71802 8 A exp(-Bx) + C 3.35244e+05 0.06629 1.04483e+06 4.91846e+04 0.02427 2.64535e+04
93 71 A166ThrN A166ThrH 2469.98229 -146.66170 1.08513 8 A exp(-Bx) + C 9.84164e+05 4.04861e-04 1.00048e+05 1.62183e+07 0.00684 1.62195e+07
94 27 A168AspN A168AspH -4668.03521 -271.26218 0.58445 8 A exp(-Bx) + C 5.17699e+05 -2.14223e-04 -8.19774e+04 8.73560e+06 0.00370 8.73578e+06
95 26 A169LysN A169LysH -2259.65920 -180.44786 0.70471 8 A exp(-Bx) + C 8.03138e+05 -4.42545e-04 2.24320e+04 1.02178e+07 0.00558 1.02187e+07
96 20 A170GluN A170GluH 94.38514 541.41916 1.79804 8 A exp(-Bx) + C 5.14455e+05 0.01059 3.12059e+05 2.80129e+05 0.00971 2.85368e+05
97 76 A171GluN A171GluH 28.43988 34.31353 5.32758 8 A exp(-Bx) + C 1.06978e+06 0.03516 6.20251e+05 3.18779e+05 0.02349 2.28985e+05
98 65 A172GlnN A172GlnH 40.41305 9.63689 2.12333 8 A exp(-Bx) + C 2.93535e+06 0.02474 4.21922e+05 2.60183e+05 0.00560 2.91204e+05
99 85 A173PheN A173PheH 3284.33793 -304.78378 2.48000 8 A exp(-Bx) + C 3.45625e+06 3.04475e-04 -2.82983e+05 3.65011e+07 0.00331 3.65026e+07
100 68 A174AlaN A174AlaH -936.15123 2161.39471 2.18079 8 A exp(-Bx) + C 4.17626e+06 -0.00107 -4.31558e+05 3.11061e+06 8.61633e-04 3.11236e+06
101 72 A175LeuN A175LeuH -2269.82164 -293.53506 2.46656 8 A exp(-Bx) + C 4.50766e+06 -4.40563e-04 -6.34873e+05 3.57637e+07 0.00346 3.57669e+07
102 90 A176LeuN A176LeuH -2283.31264 -270.81734 2.78752 8 A exp(-Bx) + C 4.68504e+06 -4.37960e-04 -6.41898e+05 4.04174e+07 0.00374 4.04210e+07
103 45 A177LeuN A177LeuH -1554.52588 -268.93772 1.52886 8 A exp(-Bx) + C 3.70106e+06 -6.43283e-04 -7.46822e+05 2.24987e+07 0.00383 2.25030e+07
104 62 A178AsnN A178AsnH -2955.74583 -486.07809 1.11465 8 A exp(-Bx) + C 2.45397e+06 -3.38324e-04 -1.41643e+05 1.52880e+07 0.00211 1.52888e+07
105 66 A189LysN A189LysH 1682.84128 -286.95794 0.45427 8 A exp(-Bx) + C 1.15763e+06 5.94233e-04 1.67050e+04 6.78893e+06 0.00358 6.79004e+06
106 41 A190AsnN A190AsnH 4331.77056 -323.46468 1.04074 8 A exp(-Bx) + C 1.25573e+06 2.30852e-04 6.24059e+04 1.63404e+07 0.00311 1.63408e+07
107 7 A191GlyN A191GlyH -2.86649e+04 -2174.97848 1.08674 8 A exp(-Bx) + C 1.92413e+06 -3.48859e-05 -2.17776e+04 1.58555e+06 4.62407e-04 1.58555e+06
108 58 A192GluN A192GluH 2250.95218 -414.59172 0.73576 8 A exp(-Bx) + C 5.05489e+06 4.44256e-04 2.57724e+05 2.78189e+07 0.00249 2.78214e+07
109 57 A193LeuN A193LeuH 1.05706e+04 -5655.65091 1.29475 8 A exp(-Bx) + C 4.78431e+06 9.46022e-05 -2.03583e+04 1.90928e+05 2.17888e-04 1.90882e+05
110 60 A194LeuN A194LeuH 4690.12754 -5135.37506 0.51713 8 A exp(-Bx) + C 5.25127e+06 2.13214e-04 -8.17740e+04 7.85299e+06 3.31756e-04 7.85315e+06
111 54 A195SerN A195SerH 3045.10668 -588.06714 1.19439 8 A exp(-Bx) + C 3.47166e+06 3.28396e-04 6.21475e+05 1.81374e+07 0.00176 1.81383e+07
112 63 A196ThrN A196ThrH 1631.40856 -571.69768 0.69698 8 A exp(-Bx) + C 3.35527e+06 6.12967e-04 -1.60054e+05 1.03356e+07 0.00194 1.03374e+07
113 75 A197SerN A197SerH 9234.40300 1.79192e+04 0.74168 8 A exp(-Bx) + C 7.41724e+06 1.08291e-04 -1.86950e+04 1.08470e+06 8.39247e-05 1.08471e+06
114 64 B190AsnN B190AsnH 2012.69663 -57.34839 1.06371 8 A exp(-Bx) + C 4.79490e+05 4.96846e-04 -6.35650e+04 1.64189e+07 0.01745 1.64208e+07

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