Content for NMR-STAR saveframe, "spectral_peak_list_8"
save_spectral_peak_list_8
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_8
_Spectral_peak_list.Entry_ID 30870
_Spectral_peak_list.ID 8
_Spectral_peak_list.Name .
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $sample_1
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
_Spectral_peak_list.Chem_shift_reference_ID 1
_Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1
_Spectral_peak_list.Experiment_ID 10
_Spectral_peak_list.Experiment_name '2D 1H-13C HSQC aromatic'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 2
_Spectral_peak_list.Chemical_shift_list .
_Spectral_peak_list.Assigned_chem_shift_list_ID 1
_Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1
_Spectral_peak_list.Details .
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
label dataset sw sf
H1 C13 N15
20191119_JR21_gc_co_nh_S.nv
2404.53930664 9649.31054687 1800.0
599.607971191 150.776992798 60.7649993896
H1.L H1.P H1.W H1.B H1.E H1.J H1.U C13.L C13.P C13.W C13.B C13.E C13.J C13.U N15.L N15.P N15.W N15.B N15.E N15.J N15.U vol int stat comment flag0 flag8 flag9
0 {} 8.39287 0.01723 0.00158 ++ {0.0} {} {} 36.47224 0.80023 0.07378 ++ {0.0} {} {} 134.73129 0.64688 0.05964 ++ {0.0} {} 0.0 0.0177 0 {} 0 0 0
1 {} 7.90911 0.03277 0.03277 ++ {0.0} {} {} 30.28486 0.73288 0.73277 ++ {0.0} {} {} 128.64333 0.08673 0.08672 ++ {0.0} {} 0.0 0.0338 0 {} 0 0 0
2 {} 7.91048 0.03392 0.09662 ++ {0.0} {} {} 56.65812 0.78068 1.78213 ++ {0.0} {} {} 127.48927 0.71211 1.84041 ++ {0.0} {} 0.0 1.9809 0 {} 0 0 0
3 {} 7.81685 0.01985 0.02847 ++ {0.0} {} {} 56.67673 0.79245 0.50189 ++ {0.0} {} {} 127.54415 0.87061 0.55120 ++ {0.0} {} 0.0 0.0247 0 {} 0 0 0
4 {} 7.91297 0.04085 0.04951 ++ {0.0} {} {} 40.96128 0.36151 0.50230 ++ {0.0} {} {} 127.51376 0.69622 0.96736 ++ {0.0} {} 0.0 0.0553 0 {} 0 0 0
5 {} 7.91098 0.03368 0.10937 ++ {0.0} {} {56.CG} 36.40083 0.68212 1.87173 ++ {0.0} {} {} 127.48989 0.71502 1.85781 ++ {0.0} {} 0.0 5.1605 0 {} 0 0 0
6 {} 7.84711 0.02630 0.03757 ++ {0.0} {} {} 36.41428 0.70518 1.08833 ++ {0.0} {} {} 127.57805 0.80767 1.30784 ++ {0.0} {} 0.0 0.0740 0 {} 0 0 0
7 {} 7.69977 0.07891 0.11272 ++ {0.0} {} {} 36.45359 0.72231 0.75399 ++ {0.0} {} {} 127.55991 0.84546 0.88254 ++ {0.0} {} 0.0 0.0353 0 {} 0 0 0
8 {} 7.47782 0.03467 0.03468 ++ {0.0} {} {} 36.36645 0.69747 0.69770 ++ {0.0} {} {} 127.53708 0.76220 0.76244 ++ {0.0} {} 0.0 0.0338 0 {} 0 0 0
9 {} 7.18608 0.03504 0.03072 ++ {0.0} {} {} 36.42062 0.74283 0.58842 ++ {0.0} {} {} 127.54723 0.82405 0.65275 ++ {0.0} {} 0.0 0.0280 0 {} 0 0 0
10 {} 7.91203 0.02452 0.01959 ++ {0.0} {} {} 28.55139 1.16583 1.13833 ++ {0.0} {} {} 127.52891 0.73177 0.52826 ++ {0.0} {} 0.0 0.0264 0 {} 0 0 0
11 {} 8.36846 0.02693 0.02482 ++ {0.0} {} {} 56.05547 0.83712 0.74532 ++ {0.0} {} {} 124.21744 0.67800 0.60365 ++ {0.0} {} 0.0 0.0304 0 {} 0 0 0
12 {} 8.65604 0.01872 0.00060 ++ {0.0} {} {} 44.07198 0.92118 0.02417 ++ {0.0} {} {} 124.25927 0.82574 0.02167 ++ {0.0} {} 0.0 0.0171 0 {} 0 0 0
13 {} 8.36364 0.04122 0.07658 ++ {0.0} {} {} 43.37685 0.72877 1.65192 ++ {0.0} {} {} 124.12770 0.64745 1.37758 ++ {0.0} {} 0.0 0.1327 0 {} 0 0 0
14 {} 8.36094 0.04345 0.05502 ++ {0.0} {} {} 30.78163 0.73152 0.99086 ++ {0.0} {} {} 124.17574 0.65580 0.88830 ++ {0.0} {} 0.0 0.0523 0 {} 0 0 0
15 {} 8.36419 0.03915 0.05640 ++ {0.0} {} {} 27.10104 0.97827 1.52503 ++ {0.0} {} {} 124.15904 0.66152 1.02240 ++ {0.0} {} 0.0 0.0737 0 {} 0 0 0
16 {} 8.73183 0.03231 0.03843 ++ {0.0} {} {} 43.24383 0.67583 0.88646 ++ {0.0} {} {} 123.76949 0.76047 0.99748 ++ {0.0} {} 0.0 0.0491 0 {} 0 0 0
17 {} 8.73516 0.02483 0.01988 ++ {0.0} {} {} 27.25358 0.69948 0.54118 ++ {0.0} {} {} 123.73085 0.72951 0.56441 ++ {0.0} {} 0.0 0.0276 0 {} 0 0 0
18 {} 8.68389 0.04522 0.08092 ++ {0.0} {} {} 28.04278 0.91938 1.52384 ++ {0.0} {} {} 123.40784 0.89373 1.41793 ++ {0.0} {} 0.0 0.0758 0 {} 0 0 0
19 {} 8.63040 0.01389 0.02333 ++ {0.0} {} {} 27.99053 0.81371 0.54015 ++ {0.0} {} {} 123.31336 0.88784 0.58936 ++ {0.0} {} 0.0 0.0253 0 {} 0 0 0
20 {} 8.41863 0.04102 0.07797 ++ {0.0} {} {} 55.92177 0.73550 1.41928 ++ {0.0} {} {} 123.03224 0.74018 1.60740 ++ {0.0} {} 0.0 0.1081 0 {} 0 0 0
21 {} 8.42051 0.04389 0.16231 ++ {0.0} {} {13.CD} 43.24841 0.75761 2.04480 ++ {0.0} {} {} 122.99879 0.74189 1.76557 ++ {0.0} {} 0.0 0.5593 0 {} 0 0 0
22 {} 8.42170 0.04100 0.10427 ++ {0.0} {} {} 30.98704 0.82537 1.85375 ++ {0.0} {} {} 122.98994 0.75651 1.68597 ++ {0.0} {} 0.0 0.2380 0 {} 0 0 0
23 {} 8.42010 0.04402 0.13152 ++ {0.0} {} {13.CG} 27.27595 0.64955 1.63228 ++ {0.0} {} {} 123.00278 0.75155 1.76158 ++ {0.0} {} 0.0 0.2552 0 {} 0 0 0
24 {} 7.96041 0.04068 0.06267 ++ {0.0} {} {} 58.82892 0.75795 1.57971 ++ {0.0} {} {} 122.46239 0.83668 1.51058 ++ {0.0} {} 0.0 0.0936 0 {} 0 0 0
25 {} 8.66757 0.07148 0.13726 ++ {0.0} {} {} 55.94599 0.75566 1.58028 ++ {0.0} {} {} 122.36483 0.68908 1.40626 ++ {0.0} {} 0.0 0.1110 0 {} 0 0 0
26 {} 7.96089 0.04079 0.10455 ++ {0.0} {} {16.CD} 43.04140 1.00795 1.74586 ++ {0.0} {} {} 122.46046 0.83420 1.72308 ++ {0.0} {} 0.0 0.3963 0 {} 0 0 0
27 {} 7.96686 0.02076 0.00820 ++ {0.0} {} {} 36.51104 0.82090 0.20084 ++ {0.0} {} {} 122.37600 0.67867 0.16604 ++ {0.0} {} 0.0 0.0192 0 {} 0 0 0
28 {} 7.91551 0.02363 0.02892 ++ {0.0} {} {} 36.47845 0.71444 0.92824 ++ {0.0} {} {} 122.48858 1.06918 1.52740 ++ {0.0} {} 0.0 0.0482 0 {} 0 0 0
29 {} 8.66797 0.07067 0.20684 ++ {0.0} {} {} 31.99951 0.84145 1.91319 ++ {0.0} {} {} 122.37107 0.68190 1.66657 ++ {0.0} {} 0.0 0.2618 0 {} 0 0 0
30 {} 7.96127 0.03865 0.06956 ++ {0.0} {} {} 29.45801 0.81088 1.78550 ++ {0.0} {} {} 122.46401 0.87835 1.60421 ++ {0.0} {} 0.0 0.1506 0 {} 0 0 0
31 {} 7.96155 0.04261 0.08533 ++ {0.0} {} {16.CG} 27.63934 0.77871 1.77953 ++ {0.0} {} {} 122.46773 0.82896 1.65120 ++ {0.0} {} 0.0 0.2003 0 {} 0 0 0
32 {} 8.38589 0.04733 0.09769 ++ {0.0} {} {} 59.00739 0.87729 1.88477 ++ {0.0} {} {} 121.92352 0.85645 1.78803 ++ {0.0} {} 0.0 0.2716 0 {} 0 0 0
33 {} 8.43820 0.05786 0.08266 ++ {0.0} {} {} 58.72382 0.69178 1.62299 ++ {0.0} {} {} 121.95565 0.79796 1.66354 ++ {0.0} {} 0.0 0.1870 0 {} 0 0 0
34 {} 8.28154 0.03267 0.22313 ++ {0.0} {} {} 56.98114 0.69776 2.05649 ++ {0.0} {} {} 121.96180 0.78603 1.90079 ++ {0.0} {} 0.0 1.0533 0 {} 0 0 0
35 {} 7.97526 0.02619 0.01956 ++ {0.0} {} {} 38.48418 0.73407 0.50294 ++ {0.0} {} {} 121.98436 0.84184 0.57677 ++ {0.0} {} 0.0 0.0257 0 {} 0 0 0
36 {} 8.28206 0.03821 0.44055 ++ {0.0} {} {55.CG} 36.30828 0.65778 1.82577 ++ {0.0} {} {} 121.95326 0.76275 1.88229 ++ {0.0} {} 0.0 2.8969 0 {} 0 0 0
37 {} 8.15050 0.04734 0.06763 ++ {0.0} {} {} 36.40071 0.69182 0.97037 ++ {0.0} {} {} 121.98188 0.98663 1.40534 ++ {0.0} {} 0.0 0.0566 0 {} 0 0 0
38 {} 8.06993 0.02197 0.04549 ++ {0.0} {} {} 36.33959 0.60136 0.53485 ++ {0.0} {} {} 121.96226 0.94778 0.84296 ++ {0.0} {} 0.0 0.0304 0 {} 0 0 0
39 {} 7.55902 0.02374 0.01264 ++ {0.0} {} {} 36.38109 0.82519 0.51310 ++ {0.0} {} {} 121.93515 0.77347 0.48093 ++ {0.0} {} 0.0 0.0245 0 {} 0 0 0
40 {} 7.84781 0.02878 0.01627 ++ {0.0} {} {} 36.22954 0.76426 0.48401 ++ {0.0} {} {} 121.99120 0.85434 0.54105 ++ {0.0} {} 0.0 0.0247 0 {} 0 0 0
41 {} 8.38711 0.04156 0.23296 ++ {0.0} {} {} 34.11564 0.97517 1.75683 ++ {0.0} {} {} 121.89896 1.06918 1.52740 ++ {0.0} {} 0.0 0.6130 0 {} 0 0 0
42 {} 8.45177 0.03682 0.05260 ++ {0.0} {} {} 36.23159 0.71796 1.86111 ++ {0.0} {} {} 121.39423 0.70519 1.87595 ++ {0.0} {} 0.0 0.3991 0 {} 0 0 0
43 {} 8.06501 0.03959 0.13730 ++ {0.0} {} {18.CG} 34.14341 0.84165 1.92187 ++ {0.0} {} {} 121.35561 0.60877 1.64733 ++ {0.0} {} 0.0 0.5579 0 {} 0 0 0
44 {} 8.48448 0.03321 0.04854 ++ {0.0} {} {12.CG} 27.40619 0.89717 1.45380 ++ {0.0} {} {} 121.59443 0.79965 1.39839 ++ {0.0} {} 0.0 0.0753 0 {} 0 0 0
45 {} 8.39365 0.03931 0.05527 ++ {0.0} {} {35.CG} 34.49811 1.04884 1.58368 ++ {0.0} {} {} 121.61143 0.73181 1.17834 ++ {0.0} {} 0.0 0.0674 0 {} 0 0 0
46 {} 8.48479 0.03912 0.08547 ++ {0.0} {} {} 63.35766 0.69041 1.71706 ++ {0.0} {} {} 121.16347 0.73069 1.67495 ++ {0.0} {} 0.0 0.2222 0 {} 0 0 0
47 {} 8.10841 0.04205 0.10977 ++ {0.0} {} {} 63.64481 1.09578 1.90510 ++ {0.0} {} {} 121.06284 0.83527 1.70719 ++ {0.0} {} 0.0 0.3591 0 {} 0 0 0
48 {} 8.10887 0.04427 0.20290 ++ {0.0} {} {} 59.48846 0.76950 1.91524 ++ {0.0} {} {} 121.05669 0.82686 1.75483 ++ {0.0} {} 0.0 0.9985 0 {} 0 0 0
49 {} 8.21863 0.04039 0.10811 ++ {0.0} {} {} 59.23179 0.70753 1.74326 ++ {0.0} {} {} 121.16002 0.74223 1.69502 ++ {0.0} {} 0.0 0.2376 0 {} 0 0 0
50 {} 8.39747 0.03986 0.22354 ++ {0.0} {} {39.CA} 56.99509 1.00252 1.85891 ++ {0.0} {} {} 121.03413 0.81491 3.39545 ++ {0.0} {} 0.0 1.0727 0 {} 0 0 0
51 {} 8.35055 0.03669 0.11272 ++ {0.0} {} {} 54.51155 0.76859 1.90538 ++ {0.0} {} {} 121.21262 0.68051 2.01111 ++ {0.0} {} 0.0 2.5441 0 {} 0 0 0
52 {} 8.12726 0.03605 0.05150 ++ {0.0} {} {} 54.52033 0.65784 0.84352 ++ {0.0} {} {} 121.05592 1.04049 1.27479 ++ {0.0} {} 0.0 0.0471 0 {} 0 0 0
53 {} 7.92450 0.02108 0.00457 ++ {0.0} {} {} 54.50764 0.73048 0.12750 ++ {0.0} {} {} 121.24187 0.59948 0.10463 ++ {0.0} {} 0.0 0.0185 0 {} 0 0 0
54 {} 7.83560 0.03452 0.02054 ++ {0.0} {} {} 54.52271 0.79561 0.28466 ++ {0.0} {} {} 120.91579 0.62218 0.22261 ++ {0.0} {} 0.0 0.0206 0 {} 0 0 0
55 {} 8.64213 0.02413 0.00773 ++ {0.0} {} {} 50.48730 0.77417 0.17755 ++ {0.0} {} {} 121.07149 0.99389 0.22728 ++ {0.0} {} 0.0 0.0191 0 {} 0 0 0
56 {} 8.48599 0.03973 0.11759 ++ {0.0} {} {12.CD} 50.64024 1.02939 1.80407 ++ {0.0} {} {} 121.15947 0.72887 1.70882 ++ {0.0} {} 0.0 0.3456 0 {} 0 0 0
57 {} 8.46832 0.06274 0.05016 ++ {0.0} {} {} 45.25153 0.59959 0.49574 ++ {0.0} {} {} 121.09485 0.94228 0.78136 ++ {0.0} {} 0.0 0.0288 0 {} 0 0 0
58 {} 8.35921 0.03086 0.00755 ++ {0.0} {} {} 43.57513 0.27117 0.05025 ++ {0.0} {} {} 121.09786 1.17517 0.22607 ++ {0.0} {} 0.0 0.0186 0 {} 0 0 0
59 {} 8.34992 0.03720 0.11272 ++ {0.0} {} {} 41.42824 0.99309 2.12614 ++ {0.0} {} {} 121.22272 0.66279 1.94752 ++ {0.0} {} 0.0 1.3017 0 {} 0 0 0
60 {} 8.12350 0.01442 0.02067 ++ {0.0} {} {} 41.40425 0.78195 0.43317 ++ {0.0} {} {} 121.01961 0.91400 0.50633 ++ {0.0} {} 0.0 0.0234 0 {} 0 0 0
61 {} 8.39818 0.03873 0.39683 ++ {0.0} {} {43.CB} 36.37700 0.66529 1.84697 ++ {0.0} {} {} 121.02036 0.82220 3.46416 ++ {0.0} {} 0.0 2.8861 0 {} 0 0 0
62 {} 8.82358 0.02284 0.01997 ++ {0.0} {} {} 36.25565 0.72913 0.64938 ++ {0.0} {} {} 121.05827 0.92346 0.82246 ++ {0.0} {} 0.0 0.0305 0 {} 0 0 0
63 {} 8.21979 0.03917 0.14278 ++ {0.0} {} {24.CG} 35.92781 0.70471 1.87001 ++ {0.0} {} {} 121.15353 0.76606 2.54567 ++ {0.0} {} 0.0 0.6838 0 {} 0 0 0
64 {} 8.25552 0.05161 0.10931 ++ {0.0} {} {} 33.88140 0.70580 1.88281 ++ {0.0} {} {} 121.29649 0.81450 2.70639 ++ {0.0} {} 0.0 0.2884 0 {} 0 0 0
65 {} 8.34390 0.03990 0.12775 ++ {0.0} {} {} 33.80564 0.70261 2.11480 ++ {0.0} {} {} 121.04991 0.91446 2.54567 ++ {0.0} {} 0.0 0.4785 0 {} 0 0 0
66 {} 8.48651 0.03996 0.13327 ++ {0.0} {} {} 32.17371 0.94146 1.34495 ++ {0.0} {} {} 121.16178 0.71371 1.72007 ++ {0.0} {} 0.0 0.4064 0 {} 0 0 0
67 {} 8.60908 0.01350 0.01566 ++ {0.0} {} {} 27.07020 1.03546 0.46271 ++ {0.0} {} {} 121.05022 1.03647 0.46194 ++ {0.0} {} 0.0 0.0218 0 {} 0 0 0
68 {} 8.50871 0.05729 0.20821 ++ {0.0} {} {4.CG} 27.16647 0.78441 1.96332 ++ {0.0} {} {} 121.09197 0.98796 2.01432 ++ {0.0} {} 0.0 0.5364 0 {} 0 0 0
69 {} 8.64106 0.04990 0.02733 ++ {0.0} {} {} 24.87887 0.64993 0.35768 ++ {0.0} {} {} 121.08836 0.91905 0.50613 ++ {0.0} {} 0.0 0.0233 0 {} 0 0 0
70 {} 8.52463 0.04049 0.08828 ++ {0.0} {} {} 59.59596 0.95641 1.83777 ++ {0.0} {} {} 120.60476 0.86755 1.70155 ++ {0.0} {} 0.0 0.2371 0 {} 0 0 0
71 {} 8.67731 0.03882 0.08237 ++ {0.0} {} {} 58.77814 0.65961 1.62178 ++ {0.0} {} {} 120.75587 0.65673 1.69692 ++ {0.0} {} 0.0 0.2751 0 {} 0 0 0
72 {} 7.75339 0.04138 0.07031 ++ {0.0} {} {} 58.10186 0.91739 1.65465 ++ {0.0} {} {} 120.75533 0.65957 1.36377 ++ {0.0} {} 0.0 0.1162 0 {} 0 0 0
73 {} 8.15454 0.03773 0.16928 ++ {0.0} {} {} 56.44736 1.02874 1.95144 ++ {0.0} {} {} 120.57698 0.77991 1.75274 ++ {0.0} {} 0.0 0.7923 0 {} 0 0 0
74 {} 8.51827 0.04453 0.09417 ++ {0.0} {} {} 56.22805 0.74635 1.65632 ++ {0.0} {} {} 120.75441 0.69102 1.66144 ++ {0.0} {} 0.0 0.1866 0 {} 0 0 0
75 {} 8.26704 0.03606 0.09769 ++ {0.0} {} {} 54.54042 0.82872 1.88645 ++ {0.0} {} {} 120.75187 0.96082 2.68072 ++ {0.0} {} 0.0 2.8646 0 {} 0 0 0
76 {} 8.24538 0.04906 0.32937 ++ {0.0} {} {} 45.22919 0.69040 1.94836 ++ {0.0} {} {} 120.62448 0.83655 1.79853 ++ {0.0} {} 0.0 2.1416 0 {} 0 0 0
77 {} 8.10492 0.04412 0.06303 ++ {0.0} {} {} 45.18558 0.75062 1.01388 ++ {0.0} {} {} 120.66483 0.85905 1.21144 ++ {0.0} {} 0.0 0.0520 0 {} 0 0 0
78 {} 7.80363 0.01611 0.01663 ++ {0.0} {} {} 45.24902 0.64208 0.16457 ++ {0.0} {} {} 120.74549 0.53960 0.13830 ++ {0.0} {} 0.0 0.0194 0 {} 0 0 0
79 {} 8.03891 0.02630 0.03757 ++ {0.0} {} {} 43.39896 0.77659 0.14785 ++ {0.0} {} {} 120.55217 0.79925 0.15216 ++ {0.0} {} 0.0 0.0187 0 {} 0 0 0
80 {} 8.51893 0.04259 0.18047 ++ {0.0} {} {4.CD} 43.32327 0.71648 2.10244 ++ {0.0} {} {} 120.74952 0.66688 1.89970 ++ {0.0} {} 0.0 0.8797 0 {} 0 0 0
81 {} 8.01674 0.01700 0.00809 ++ {0.0} {} {} 43.24616 0.68920 0.31527 ++ {0.0} {} {} 120.68053 0.84432 0.38623 ++ {0.0} {} 0.0 0.0219 0 {} 0 0 0
82 {} 7.75462 0.04035 0.09859 ++ {0.0} {} {46.CD} 43.12209 0.94991 1.94550 ++ {0.0} {} {} 120.75384 0.65460 1.69677 ++ {0.0} {} 0.0 0.3144 0 {} 0 0 0
83 {} 8.26629 0.03721 0.09769 ++ {0.0} {} {} 41.37857 0.91679 2.11653 ++ {0.0} {} {} 120.75552 0.96277 2.57151 ++ {0.0} {} 0.0 1.4338 0 {} 0 0 0
84 {} 8.07534 0.03903 0.10331 ++ {0.0} {} {} 38.59138 0.99606 1.94561 ++ {0.0} {} {} 120.84103 0.60690 1.78400 ++ {0.0} {} 0.0 0.4616 0 {} 0 0 0
85 {} 9.11383 0.01631 0.00253 ++ {0.0} {} {} 36.43704 0.74389 0.11289 ++ {0.0} {} {} 120.73640 1.48222 0.27493 ++ {0.0} {} 0.0 0.0183 0 {} 0 0 0
86 {} 8.52703 0.03948 0.14278 ++ {0.0} {} {44.CG} 36.39437 0.68487 1.81273 ++ {0.0} {} {} 120.60700 0.88605 1.79464 ++ {0.0} {} 0.0 0.4660 0 {} 0 0 0
87 {} 8.67750 0.03807 0.17373 ++ {0.0} {} {49.CG} 36.13890 0.98073 1.96010 ++ {0.0} {} {} 120.76009 0.65162 1.91377 ++ {0.0} {} 0.0 0.9798 0 {} 0 0 0
88 {} 8.58630 0.02707 0.00972 ++ {0.0} {} {} 33.94258 0.76962 0.29497 ++ {0.0} {} {} 120.50609 0.79135 0.30330 ++ {0.0} {} 0.0 0.0209 0 {} 0 0 0
89 {} 8.15639 0.03768 0.32792 ++ {0.0} {} {} 33.93859 0.74377 1.92197 ++ {0.0} {} {} 120.53001 0.72770 1.89530 ++ {0.0} {} 0.0 2.6044 0 {} 0 0 0
90 {} 7.72708 0.02972 0.02336 ++ {0.0} {} {} 33.78211 0.69069 0.44805 ++ {0.0} {} {} 120.55197 0.75538 0.49002 ++ {0.0} {} 0.0 0.0250 0 {} 0 0 0
91 {} 8.15275 0.02761 0.02627 ++ {0.0} {} {} 31.69940 0.62594 1.33307 ++ {0.0} {} {} 120.54615 0.72391 0.68993 ++ {0.0} {} 0.0 0.0323 0 {} 0 0 0
92 {} 8.51876 0.04324 0.12144 ++ {0.0} {} {} 31.22080 0.75713 1.94067 ++ {0.0} {} {} 120.74548 0.67378 1.82812 ++ {0.0} {} 0.0 0.4496 0 {} 0 0 0
93 {} 7.75463 0.03767 0.07823 ++ {0.0} {} {} 30.01193 0.90216 1.83725 ++ {0.0} {} {} 120.74905 0.65983 1.52868 ++ {0.0} {} 0.0 0.1641 0 {} 0 0 0
94 {} 8.15339 0.01398 0.00194 ++ {0.0} {} {} 27.57843 0.87288 0.12127 ++ {0.0} {} {} 120.56033 0.65199 0.09058 ++ {0.0} {} 0.0 0.0182 0 {} 0 0 0
95 {} 7.75421 0.03928 0.09051 ++ {0.0} {} {46.CG} 27.11947 0.82349 1.68755 ++ {0.0} {} {} 120.74167 0.69838 1.65628 ++ {0.0} {} 0.0 0.1940 0 {} 0 0 0
96 {} 8.16335 0.03922 0.07232 ++ {0.0} {} {} 58.73896 0.76055 1.88681 ++ {0.0} {} {} 120.24640 0.73578 1.71991 ++ {0.0} {} 0.0 0.2133 0 {} 0 0 0
97 {} 7.97041 0.03723 0.08935 ++ {0.0} {} {} 57.61168 0.99347 1.71282 ++ {0.0} {} {} 120.28989 0.66481 1.87851 ++ {0.0} {} 0.0 0.4028 0 {} 0 0 0
98 {} 8.63867 0.02157 0.00992 ++ {0.0} {} {} 54.49887 0.70182 0.28981 ++ {0.0} {} {} 120.07202 0.73161 0.30212 ++ {0.0} {} 0.0 0.0213 0 {} 0 0 0
99 {} 8.20656 0.03687 0.11272 ++ {0.0} {} {} 54.49685 0.74258 1.89298 ++ {0.0} {} {} 120.08010 0.80245 1.94054 ++ {0.0} {} 0.0 2.8593 0 {} 0 0 0
100 {} 8.10320 0.04531 0.05724 ++ {0.0} {} {} 43.37839 0.71657 1.00087 ++ {0.0} {} {} 120.15407 0.85870 1.23704 ++ {0.0} {} 0.0 0.0560 0 {} 0 0 0
101 {} 8.20610 0.03814 0.13121 ++ {0.0} {} {} 41.13841 1.24237 1.77481 ++ {0.0} {} {} 120.07241 0.81002 1.93290 ++ {0.0} {} 0.0 1.6440 0 {} 0 0 0
102 {} 7.97308 0.03855 0.12248 ++ {0.0} {} {51.CG} 34.38100 0.72808 2.09846 ++ {0.0} {} {} 120.26933 0.67821 1.92049 ++ {0.0} {} 0.0 1.2158 0 {} 0 0 0
103 {} 8.09005 0.03476 0.02663 ++ {0.0} {} {} 30.34340 0.68945 0.39233 ++ {0.0} {} {} 120.17037 0.76019 0.43259 ++ {0.0} {} 0.0 0.0236 0 {} 0 0 0
104 {} 8.09426 0.04028 0.04012 ++ {0.0} {} {} 27.23544 0.64912 0.64450 ++ {0.0} {} {} 120.16437 0.87561 0.86938 ++ {0.0} {} 0.0 0.0336 0 {} 0 0 0
105 {} 7.69594 0.03122 0.04536 ++ {0.0} {} {} 77.18642 0.76438 1.26694 ++ {0.0} {} {} 119.86140 0.61060 0.92621 ++ {0.0} {} 0.0 0.0699 0 {} 0 0 0
106 {} 7.69879 0.03733 0.05969 ++ {0.0} {} {} 64.93731 0.71724 1.29521 ++ {0.0} {} {} 119.85080 0.62045 1.00783 ++ {0.0} {} 0.0 0.0900 0 {} 0 0 0
107 {} 8.30269 0.04187 0.09635 ++ {0.0} {} {} 59.63111 0.89660 1.81402 ++ {0.0} {} {} 119.58748 0.70839 1.57701 ++ {0.0} {} 0.0 0.1738 0 {} 0 0 0
108 {} 7.88494 0.03732 0.07196 ++ {0.0} {} {} 59.56234 0.99419 1.84680 ++ {0.0} {} {} 119.48169 0.61585 1.44031 ++ {0.0} {} 0.0 0.1937 0 {} 0 0 0
109 {} 8.34917 0.04217 0.12183 ++ {0.0} {} {} 56.85767 0.70516 1.00737 ++ {0.0} {} {} 119.82913 1.01645 2.54567 ++ {0.0} {} 0.0 0.5425 0 {} 0 0 0
110 {} 7.69746 0.04142 0.06297 ++ {0.0} {} {} 38.01038 0.87021 1.35062 ++ {0.0} {} {} 119.80593 0.68769 0.99785 ++ {0.0} {} 0.0 0.0615 0 {} 0 0 0
111 {} 8.34984 0.04097 0.12899 ++ {0.0} {} {10.CG} 36.36053 0.65213 1.79780 ++ {0.0} {} {} 119.83328 0.65573 1.93708 ++ {0.0} {} 0.0 1.7499 0 {} 0 0 0
112 {} 7.90978 0.02630 0.03757 ++ {0.0} {} {} 36.47811 0.73233 0.83023 ++ {0.0} {} {} 119.54354 0.66995 0.75951 ++ {0.0} {} 0.0 0.0390 0 {} 0 0 0
113 {} 7.99729 0.03207 0.08666 ++ {0.0} {} {48.CG} 36.18867 0.77262 1.10375 ++ {0.0} {} {} 119.71777 0.84119 1.76333 ++ {0.0} {} 0.0 1.0362 0 {} 0 0 0
114 {} 8.30462 0.03495 0.09335 ++ {0.0} {} {} 34.16187 0.81134 1.91070 ++ {0.0} {} {} 119.64259 0.90837 1.97971 ++ {0.0} {} 0.0 0.4630 0 {} 0 0 0
115 {} 7.88473 0.03919 0.08096 ++ {0.0} {} {23.CG} 33.60893 0.92124 1.89160 ++ {0.0} {} {} 119.48525 0.58587 1.52676 ++ {0.0} {} 0.0 0.3928 0 {} 0 0 0
116 {} 7.69517 0.03121 0.03114 ++ {0.0} {} {41.CG1} 29.17889 0.81122 0.80932 ++ {0.0} {} {} 119.79248 0.73540 0.73368 ++ {0.0} {} 0.0 0.0337 0 {} 0 0 0
117 {} 7.69912 0.04339 0.07299 ++ {0.0} {} {41.CG2} 17.17339 0.82125 1.68695 ++ {0.0} {} {} 119.82986 0.68690 1.52434 ++ {0.0} {} 0.0 0.1141 0 {} 0 0 0
118 {} 8.09945 0.03177 0.06401 ++ {0.0} {} {} 59.08039 0.96458 1.85159 ++ {0.0} {} {} 119.20056 0.86549 1.75275 ++ {0.0} {} 0.0 0.2429 0 {} 0 0 0
119 {} 8.20085 0.03504 0.06713 ++ {0.0} {} {} 58.63245 0.89523 1.84866 ++ {0.0} {} {} 119.08372 0.66143 1.90497 ++ {0.0} {} 0.0 0.2353 0 {} 0 0 0
120 {} 7.85637 0.03928 0.07149 ++ {0.0} {} {} 56.27945 0.61838 1.13906 ++ {0.0} {} {} 119.24605 0.86450 1.60926 ++ {0.0} {} 0.0 0.1659 0 {} 0 0 0
121 {} 8.90051 0.02061 0.00474 ++ {0.0} {} {} 54.61979 0.95416 0.20000 ++ {0.0} {} {} 119.39779 0.63065 0.13219 ++ {0.0} {} 0.0 0.0189 0 {} 0 0 0
122 {} 8.60306 0.02604 0.00962 ++ {0.0} {} {} 54.81542 0.64894 0.23899 ++ {0.0} {} {} 119.42789 0.58222 0.21442 ++ {0.0} {} 0.0 0.0207 0 {} 0 0 0
123 {} 8.17673 0.03551 0.08770 ++ {0.0} {} {} 54.70256 0.67511 1.87567 ++ {0.0} {} {} 119.45147 0.62280 1.89708 ++ {0.0} {} 0.0 2.1833 0 {} 0 0 0
124 {} 8.35947 0.03190 0.01697 ++ {0.0} {} {} 43.23785 0.67952 0.18834 ++ {0.0} {} {} 119.28511 0.83645 0.23184 ++ {0.0} {} 0.0 0.0196 0 {} 0 0 0
125 {} 8.27428 0.04385 0.10915 ++ {0.0} {} {34.CD} 43.12912 1.01284 1.96372 ++ {0.0} {} {} 119.24970 0.86423 1.74933 ++ {0.0} {} 0.0 0.3176 0 {} 0 0 0
126 {} 8.17656 0.03659 0.08629 ++ {0.0} {} {} 41.14101 1.20624 1.72319 ++ {0.0} {} {} 119.45438 0.62312 1.86686 ++ {0.0} {} 0.0 1.3565 0 {} 0 0 0
127 {} 8.10126 0.03924 0.09859 ++ {0.0} {} {45.CG} 36.61040 0.99158 1.41654 ++ {0.0} {} {} 119.27524 0.93850 2.00384 ++ {0.0} {} 0.0 0.6545 0 {} 0 0 0
128 {} 7.85590 0.03890 0.07378 ++ {0.0} {} {} 36.68789 0.87156 1.90575 ++ {0.0} {} {} 119.23724 0.82875 1.66700 ++ {0.0} {} 0.0 0.2382 0 {} 0 0 0
129 {} 8.20074 0.03681 0.09627 ++ {0.0} {} {17.CG} 35.65894 1.01362 1.84571 ++ {0.0} {} {} 119.10725 0.68697 1.87701 ++ {0.0} {} 0.0 0.6337 0 {} 0 0 0
130 {} 8.35274 0.03997 0.05898 ++ {0.0} {} {10.CB} 33.89019 0.78460 1.58041 ++ {0.0} {} {} 119.26475 0.79052 1.42124 ++ {0.0} {} 0.0 0.0984 0 {} 0 0 0
131 {} 8.27752 0.04315 0.08789 ++ {0.0} {} {34.CG} 27.25879 0.63748 1.21507 ++ {0.0} {} {} 119.21892 0.83901 1.55742 ++ {0.0} {} 0.0 0.1446 0 {} 0 0 0
132 {} 8.41581 0.03692 0.06365 ++ {0.0} {} {} 60.11312 0.84658 1.61009 ++ {0.0} {} {} 118.81610 0.79064 1.50453 ++ {0.0} {} 0.0 0.1109 0 {} 0 0 0
133 {} 8.32413 0.03517 0.07586 ++ {0.0} {} {} 56.47517 0.72229 1.82454 ++ {0.0} {} {} 118.95623 0.63798 1.72430 ++ {0.0} {} 0.0 0.3979 0 {} 0 0 0
134 {} 8.07868 0.02094 0.01299 ++ {0.0} {} {} 54.96484 0.71203 0.28608 ++ {0.0} {} {} 118.80050 0.59267 0.23812 ++ {0.0} {} 0.0 0.0211 0 {} 0 0 0
135 {} 8.32418 0.03528 0.07158 ++ {0.0} {} {} 40.59314 1.09086 1.62670 ++ {0.0} {} {} 118.93664 0.63390 1.78473 ++ {0.0} {} 0.0 0.4540 0 {} 0 0 0
136 {} 8.41531 0.03883 0.08159 ++ {0.0} {} {} 37.63948 1.03888 1.86724 ++ {0.0} {} {} 118.77039 0.81553 1.61469 ++ {0.0} {} 0.0 0.3564 0 {} 0 0 0
137 {} 8.04827 0.04240 0.07466 ++ {0.0} {} {} 59.08750 0.94259 1.75350 ++ {0.0} {} {} 118.08694 0.55980 1.00862 ++ {0.0} {} 0.0 0.1704 0 {} 0 0 0
138 {} 8.19019 0.05151 0.13993 ++ {0.0} {} {} 46.37998 0.65753 1.77573 ++ {0.0} {} {} 118.28532 0.83209 1.72518 ++ {0.0} {} 0.0 0.6119 0 {} 0 0 0
139 {} 8.15767 0.03742 0.07489 ++ {0.0} {} {20.CD} 43.17767 0.82476 1.86982 ++ {0.0} {} {} 118.37585 0.94196 1.52740 ++ {0.0} {} 0.0 0.2336 0 {} 0 0 0
140 {} 7.86705 0.03378 0.06408 ++ {0.0} {} {} 41.40000 0.72630 1.72129 ++ {0.0} {} {} 118.46552 0.61798 1.47018 ++ {0.0} {} 0.0 0.2145 0 {} 0 0 0
141 {} 8.04855 0.04091 0.10991 ++ {0.0} {} {37.CG} 33.96717 0.75859 1.81856 ++ {0.0} {} {} 118.10896 0.58598 1.58996 ++ {0.0} {} 0.0 0.5335 0 {} 0 0 0
142 {} 8.15672 0.03888 0.06238 ++ {0.0} {} {} 30.08016 0.86984 1.60671 ++ {0.0} {} {} 118.35040 0.89552 1.69325 ++ {0.0} {} 0.0 0.1190 0 {} 0 0 0
143 {} 8.15708 0.03848 0.07197 ++ {0.0} {} {20.CG} 27.61428 0.84072 1.66209 ++ {0.0} {} {} 118.38175 0.92769 1.52740 ++ {0.0} {} 0.0 0.1525 0 {} 0 0 0
144 {} 7.86903 0.03638 0.05283 ++ {0.0} {} {47.CG} 27.08924 0.98120 1.56257 ++ {0.0} {} {} 118.49473 0.60967 0.97069 ++ {0.0} {} 0.0 0.0828 0 {} 0 0 0
145 {} 7.86734 0.03390 0.06993 ++ {0.0} {} {47.CD1} 24.05292 1.14401 1.86203 ++ {0.0} {} {} 118.46905 0.64195 1.71006 ++ {0.0} {} 0.0 0.2823 0 {} 0 0 0
146 {} 8.51642 0.03340 0.09791 ++ {0.0} {} {} 65.14377 0.86315 1.80185 ++ {0.0} {} {} 117.81432 0.83663 1.60535 ++ {0.0} {} 0.0 0.1740 0 {} 0 0 0
147 {} 7.62975 0.03737 0.05933 ++ {0.0} {} {} 58.42111 0.72219 1.18235 ++ {0.0} {} {} 117.80073 0.83911 1.43447 ++ {0.0} {} 0.0 0.0773 0 {} 0 0 0
148 {} 7.66811 0.03645 0.05922 ++ {0.0} {} {} 57.02080 1.01076 1.74518 ++ {0.0} {} {} 117.90212 0.73264 1.39093 ++ {0.0} {} 0.0 0.0947 0 {} 0 0 0
149 {} 8.51516 0.03593 0.07343 ++ {0.0} {} {15.CD} 51.19822 0.82070 1.74993 ++ {0.0} {} {} 117.81468 0.86544 1.67285 ++ {0.0} {} 0.0 0.1336 0 {} 0 0 0
150 {} 7.66729 0.03682 0.05260 ++ {0.0} {} {28.CD} 43.64562 1.01500 1.77066 ++ {0.0} {} {} 117.88174 0.80034 1.72346 ++ {0.0} {} 0.0 0.4078 0 {} 0 0 0
151 {} 7.63179 0.03682 0.05260 ++ {0.0} {} {27.CD} 43.52709 1.01796 1.77683 ++ {0.0} {} {} 117.81847 0.84518 1.74076 ++ {0.0} {} 0.0 0.3973 0 {} 0 0 0
152 {} 8.51571 0.03247 0.08833 ++ {0.0} {} {} 32.89682 0.71786 1.74646 ++ {0.0} {} {} 117.81983 0.82581 1.61699 ++ {0.0} {} 0.0 0.1958 0 {} 0 0 0
153 {} 7.66469 0.05313 0.14316 ++ {0.0} {} {} 30.58712 0.98219 1.79137 ++ {0.0} {} {} 117.88794 0.79306 1.60852 ++ {0.0} {} 0.0 0.1597 0 {} 0 0 0
154 {} 8.51557 0.03513 0.09866 ++ {0.0} {} {15.CG} 27.54807 0.93649 1.82261 ++ {0.0} {} {} 117.81601 0.86745 1.93020 ++ {0.0} {} 0.0 0.2524 0 {} 0 0 0
155 {} 7.66770 0.06532 0.13305 ++ {0.0} {} {28.CG} 27.44481 0.78887 1.81956 ++ {0.0} {} {} 117.88338 0.81411 1.64561 ++ {0.0} {} 0.0 0.1842 0 {} 0 0 0
156 {} 8.16967 0.03479 0.05486 ++ {0.0} {} {} 59.17019 0.80463 1.43240 ++ {0.0} {} {} 117.27461 0.76721 1.53036 ++ {0.0} {} 0.0 0.0804 0 {} 0 0 0
157 {} 8.40624 0.02321 0.00590 ++ {0.0} {} {} 61.23522 0.68299 0.09773 ++ {0.0} {} {} 116.82561 0.70348 0.10067 ++ {0.0} {} 0.0 0.0182 0 {} 0 0 0
158 {} 8.39552 0.05431 0.07361 ++ {0.0} {} {} 43.43312 0.75688 1.22117 ++ {0.0} {} {} 116.85332 0.72872 1.20463 ++ {0.0} {} 0.0 0.0713 0 {} 0 0 0
159 {} 8.40265 0.03832 0.09104 ++ {0.0} {} {} 37.46544 0.79817 1.86947 ++ {0.0} {} {} 116.73197 0.59306 1.47660 ++ {0.0} {} 0.0 0.4440 0 {} 0 0 0
160 {} 8.39386 0.03712 0.04093 ++ {0.0} {} {} 30.90319 0.65710 0.72210 ++ {0.0} {} {} 116.85072 0.70938 0.77956 ++ {0.0} {} 0.0 0.0375 0 {} 0 0 0
161 {} 8.39408 0.03726 0.04338 ++ {0.0} {} {} 27.07041 0.96988 1.26213 ++ {0.0} {} {} 116.83985 0.71507 0.91964 ++ {0.0} {} 0.0 0.0473 0 {} 0 0 0
162 {} 8.21309 0.01961 0.00266 ++ {0.0} {} {} 54.57820 1.05768 0.15880 ++ {0.0} {} {} 116.03600 0.73981 0.11062 ++ {0.0} {} 0.0 0.0183 0 {} 0 0 0
163 {} 7.91251 0.02202 0.02124 ++ {0.0} {} {} 36.49846 0.77749 0.74120 ++ {0.0} {} {} 115.83607 0.79407 0.75701 ++ {0.0} {} 0.0 0.0323 0 {} 0 0 0
164 {} 8.21157 0.04286 0.06520 ++ {0.0} {} {} 57.82036 0.68067 1.28660 ++ {0.0} {} {} 115.45242 0.75971 1.53571 ++ {0.0} {} 0.0 0.1122 0 {} 0 0 0
165 {} 8.21419 0.04100 0.12265 ++ {0.0} {} {52.CD} 43.52187 1.01983 1.80108 ++ {0.0} {} {} 115.45615 0.71350 1.73618 ++ {0.0} {} 0.0 0.5683 0 {} 0 0 0
166 {} 8.21368 0.04113 0.10228 ++ {0.0} {} {} 30.52730 0.86032 1.83528 ++ {0.0} {} {} 115.46240 0.71310 1.59846 ++ {0.0} {} 0.0 0.2562 0 {} 0 0 0
167 {} 8.21303 0.04184 0.09510 ++ {0.0} {} {52.CG} 27.33116 0.58125 1.08416 ++ {0.0} {} {} 115.46491 0.75248 1.69202 ++ {0.0} {} 0.0 0.2507 0 {} 0 0 0
168 {} 7.72969 0.02609 0.04674 ++ {0.0} {} {} 39.04399 0.84727 1.71483 ++ {0.0} {} {} 113.31164 0.90485 1.89678 ++ {0.0} {} 0.0 0.1966 0 {} 0 0 0
169 {} 6.95991 0.03480 0.05808 ++ {0.0} {} {} 39.02020 0.78880 1.57474 ++ {0.0} {} {} 113.18358 1.06879 1.78325 ++ {0.0} {} 0.0 0.1391 0 {} 0 0 0
170 {} 7.57796 0.03905 0.07851 ++ {0.0} {} {} 56.24937 0.72999 1.57963 ++ {0.0} {} {} 112.11491 0.78252 1.64111 ++ {0.0} {} 0.0 0.1287 0 {} 0 0 0
171 {} 7.54523 0.02630 0.03757 ++ {0.0} {} {} 56.08492 0.99132 1.64490 ++ {0.0} {} {} 112.16189 0.82616 1.44229 ++ {0.0} {} 0.0 0.0839 0 {} 0 0 0
172 {} 7.55816 0.04591 0.06389 ++ {0.0} {} {} 58.97840 0.81793 1.37037 ++ {0.0} {} {} 111.82405 1.17417 1.66855 ++ {0.0} {} 0.0 0.0745 0 {} 0 0 0
173 {} 7.48484 0.02592 0.03870 ++ {0.0} {} {} 58.68545 0.82087 1.10912 ++ {0.0} {} {} 111.76337 1.12115 1.49675 ++ {0.0} {} 0.0 0.0516 0 {} 0 0 0
174 {} 6.91440 0.04628 0.05792 ++ {0.0} {} {} 58.74997 0.73416 0.99441 ++ {0.0} {} {} 111.70055 0.77339 1.07004 ++ {0.0} {} 0.0 0.0523 0 {} 0 0 0
175 {} 6.67694 0.02892 0.02896 ++ {0.0} {} {} 56.85801 0.64902 0.65089 ++ {0.0} {} {} 111.95369 0.87363 0.87614 ++ {0.0} {} 0.0 0.0339 0 {} 0 0 0
176 {} 7.05191 0.02479 0.02752 ++ {0.0} {} {} 56.77443 0.72331 0.82585 ++ {0.0} {} {} 111.98430 0.77098 0.88028 ++ {0.0} {} 0.0 0.0394 0 {} 0 0 0
177 {} 6.86880 0.03735 0.06731 ++ {0.0} {} {} 56.25069 0.76727 1.77982 ++ {0.0} {} {} 111.91486 0.87619 1.81504 ++ {0.0} {} 0.0 0.1589 0 {} 0 0 0
178 {} 7.47364 0.02660 0.03358 ++ {0.0} {} {} 55.40879 0.73183 0.99120 ++ {0.0} {} {} 111.69746 0.81567 1.15333 ++ {0.0} {} 0.0 0.0523 0 {} 0 0 0
179 {} 7.56892 0.04841 0.11272 ++ {0.0} {} {} 33.95047 0.85778 1.85639 ++ {0.0} {} {} 111.95364 0.97505 2.21289 ++ {0.0} {} 0.0 0.2144 0 {} 0 0 0
180 {} 7.47855 0.03705 0.06892 ++ {0.0} {} {} 34.00967 0.85614 1.76936 ++ {0.0} {} {} 111.70143 0.96297 1.88272 ++ {0.0} {} 0.0 0.1459 0 {} 0 0 0
181 {} 7.05164 0.03099 0.03720 ++ {0.0} {} {} 33.64480 0.75319 0.99299 ++ {0.0} {} {} 111.98885 0.80933 1.09743 ++ {0.0} {} 0.0 0.0496 0 {} 0 0 0
182 {} 6.86630 0.04866 0.09089 ++ {0.0} {} {} 33.80866 0.70877 1.88259 ++ {0.0} {} {} 111.80951 1.25965 2.20009 ++ {0.0} {} 0.0 0.2463 0 {} 0 0 0
183 {} 6.67297 0.02536 0.03211 ++ {0.0} {} {} 33.63520 0.78423 1.02022 ++ {0.0} {} {} 111.82224 0.59130 1.60681 ++ {0.0} {} 0.0 0.0483 0 {} 0 0 0
184 {} 7.63186 0.02790 0.03267 ++ {0.0} {} {} 58.91555 0.68096 0.83371 ++ {0.0} {} {} 111.50903 0.85918 1.06607 ++ {0.0} {} 0.0 0.0436 0 {} 0 0 0
185 {} 6.80850 0.03155 0.03063 ++ {0.0} {} {} 58.94003 0.74868 0.70373 ++ {0.0} {} {} 111.26960 0.72030 0.67706 ++ {0.0} {} 0.0 0.0319 0 {} 0 0 0
186 {} 6.74851 0.03080 0.02959 ++ {0.0} {} {} 55.36853 0.72442 0.68070 ++ {0.0} {} {} 111.56757 0.69303 0.65120 ++ {0.0} {} 0.0 0.0319 0 {} 0 0 0
187 {} 8.18752 0.01131 0.00000 ++ {0.0} {} {} 41.19523 0.82410 0.00017 ++ {0.0} {} {} 111.27293 0.78935 0.00016 ++ {0.0} {} 0.0 0.0169 0 {} 0 0 0
188 {} 7.63214 0.03094 0.04905 ++ {0.0} {} {} 33.95493 0.77154 1.32331 ++ {0.0} {} {} 111.51328 0.83787 1.44657 ++ {0.0} {} 0.0 0.0768 0 {} 0 0 0
189 {} 6.81045 0.01248 0.03140 ++ {0.0} {} {} 33.99364 0.83418 1.04426 ++ {0.0} {} {} 111.27244 0.71845 0.89939 ++ {0.0} {} 0.0 0.0452 0 {} 0 0 0
190 {} 7.85586 0.02915 0.02890 ++ {0.0} {} {} 59.57084 0.93655 0.92501 ++ {0.0} {} {} 110.66775 0.65427 0.64621 ++ {0.0} {} 0.0 0.0334 0 {} 0 0 0
191 {} 7.36273 0.02582 0.02736 ++ {0.0} {} {} 59.66244 0.73503 0.78224 ++ {0.0} {} {} 110.69218 0.66956 0.71256 ++ {0.0} {} 0.0 0.0361 0 {} 0 0 0
192 {} 7.45986 0.02168 0.02942 ++ {0.0} {} {} 59.04198 0.93678 1.35785 ++ {0.0} {} {} 111.08444 0.81948 1.23845 ++ {0.0} {} 0.0 0.0566 0 {} 0 0 0
193 {} 6.86070 0.03629 0.05800 ++ {0.0} {} {} 59.13147 1.00440 1.62526 ++ {0.0} {} {} 111.05700 1.22456 1.80898 ++ {0.0} {} 0.0 0.0729 0 {} 0 0 0
194 {} 7.37751 0.02574 0.03840 ++ {0.0} {} {} 57.52579 0.90130 1.49106 ++ {0.0} {} {} 110.79474 0.87726 1.50081 ++ {0.0} {} 0.0 0.0750 0 {} 0 0 0
195 {} 8.55525 0.04495 0.06959 ++ {0.0} {} {} 56.47546 0.76830 1.24432 ++ {0.0} {} {} 110.77784 0.61758 0.93395 ++ {0.0} {} 0.0 0.0693 0 {} 0 0 0
196 {} 8.56044 0.05415 0.17954 ++ {0.0} {} {2.CD} 43.36534 0.71558 1.88646 ++ {0.0} {} {} 110.78072 0.65113 1.69607 ++ {0.0} {} 0.0 0.4499 0 {} 0 0 0
197 {} 7.37576 0.02533 0.04319 ++ {0.0} {} {} 34.37626 0.68374 1.16515 ++ {0.0} {} {} 110.79447 0.82901 1.53033 ++ {0.0} {} 0.0 0.0935 0 {} 0 0 0
198 {} 8.55966 0.05788 0.13329 ++ {0.0} {} {} 30.63164 0.87264 1.81609 ++ {0.0} {} {} 110.77958 0.64767 1.53335 ++ {0.0} {} 0.0 0.2205 0 {} 0 0 0
199 {} 8.56022 0.06079 0.14988 ++ {0.0} {} {2.CG} 27.16592 0.72668 1.70654 ++ {0.0} {} {} 110.77728 0.62930 1.45384 ++ {0.0} {} 0.0 0.2158 0 {} 0 0 0
200 {} 6.78638 0.02642 0.02247 ++ {0.0} {} {} 59.49463 0.86741 0.68938 ++ {0.0} {} {} 110.36288 0.86970 0.69120 ++ {0.0} {} 0.0 0.0280 0 {} 0 0 0
201 {} 6.67875 0.02605 0.03616 ++ {0.0} {} {} 59.52126 0.93861 1.39144 ++ {0.0} {} {} 110.43360 1.03047 1.38934 ++ {0.0} {} 0.0 0.0557 0 {} 0 0 0
202 {} 6.76443 0.03062 0.03784 ++ {0.0} {} {} 57.52870 0.90237 1.26018 ++ {0.0} {} {} 110.55932 0.69811 0.94667 ++ {0.0} {} 0.0 0.0525 0 {} 0 0 0
203 {} 6.76298 0.02878 0.03670 ++ {0.0} {} {} 34.34845 0.71046 0.95446 ++ {0.0} {} {} 110.61566 0.68637 0.92209 ++ {0.0} {} 0.0 0.0515 0 {} 0 0 0
204 {} 7.85673 0.03425 0.03657 ++ {0.0} {} {} 34.05746 0.87075 0.95047 ++ {0.0} {} {} 110.65565 0.65482 0.71403 ++ {0.0} {} 0.0 0.0371 0 {} 0 0 0
205 {} 6.67715 0.02967 0.03794 ++ {0.0} {} {} 33.69899 0.86174 1.24259 ++ {0.0} {} {} 110.35649 1.04561 1.49373 ++ {0.0} {} 0.0 0.0529 0 {} 0 0 0
206 {} 8.42540 0.04958 0.09766 ++ {0.0} {} {} 55.48941 0.87363 1.70668 ++ {0.0} {} {} 109.45440 0.74483 1.46147 ++ {0.0} {} 0.0 0.1105 0 {} 0 0 0
207 {} 8.42629 0.05698 0.16051 ++ {0.0} {} {31.CG} 33.99791 0.82416 1.77975 ++ {0.0} {} {} 109.47831 0.81540 1.71215 ++ {0.0} {} 0.0 0.3611 0 {} 0 0 0
208 {} 8.09555 0.06420 0.06867 ++ {0.0} {} {} 56.91119 0.67537 0.74546 ++ {0.0} {} {} 107.52015 0.68888 0.76036 ++ {0.0} {} 0.0 0.0377 0 {} 0 0 0
209 {} 8.10062 0.06434 0.13699 ++ {0.0} {} {} 33.69130 0.74618 1.51472 ++ {0.0} {} {} 107.54816 0.67171 1.32108 ++ {0.0} {} 0.0 0.1086 0 {} 0 0 0
210 {} 8.34629 0.01723 0.01009 ++ {0.0} {} {} 54.51671 0.82069 0.48653 ++ {0.0} {} {} 107.18285 0.83285 0.49374 ++ {0.0} {} 0.0 0.0240 0 {} 0 0 0
211 {} 6.87355 0.02357 0.00273 ++ {0.0} {} {} 33.99845 0.78446 0.10711 ++ {0.0} {} {} 106.78950 1.10979 0.15194 ++ {0.0} {} 0.0 0.0181 0 {} 0 0 0
212 {10.H} 8.33409 0.04156 0.08264 ++ {0.0} {} {1.CG} 36.29057 0.79371 1.52954 ++ {0.0} {} {10.N} 121.89896 0.37079 1.38478 ++ {0.0} {} 0.0 0.6130 0 {} 0 0 0
213 {10.H} 8.33279 0.04156 0.08264 ++ {0.0} {} {1.CA} 56.78147 0.79371 1.52954 ++ {0.0} {} {10.N} 121.89896 0.37079 1.38478 ++ {0.0} {} 0.0 0.6130 0 {} 0 0 0
;
loop_
_Spectral_dim.ID
_Spectral_dim.Axis_code
_Spectral_dim.Spectrometer_frequency
_Spectral_dim.Atom_type
_Spectral_dim.Atom_isotope_number
_Spectral_dim.Spectral_region
_Spectral_dim.Magnetization_linkage_ID
_Spectral_dim.Under_sampling_type
_Spectral_dim.Sweep_width
_Spectral_dim.Sweep_width_units
_Spectral_dim.Value_first_point
_Spectral_dim.Absolute_peak_positions
_Spectral_dim.Acquisition
_Spectral_dim.Center_frequency_offset
_Spectral_dim.Encoding_code
_Spectral_dim.Encoded_reduced_dimension_ID
_Spectral_dim.Entry_ID
_Spectral_dim.Spectral_peak_list_ID
1 . . H 1 H-aromatic . . 5580.35693359 Hz . . . 4.79000000381 . . 30870 8
2 . . C 13 C-aromatic . . 6034.48681641 Hz . . . 125.125999451 . . 30870 8
stop_
save_