######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID 30870 _Spectral_peak_list.ID 1 _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 1 _Spectral_peak_list.Experiment_name '3D 1H-15N NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _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 HN N15 20191121_JR21_800_gNfhsqc.nv 5580.35693359 2399.39990234 799.963989258 81.0690002441 HN.L HN.P HN.W HN.B HN.E HN.J HN.U N15.L N15.P N15.W N15.B N15.E N15.J N15.U vol int stat comment flag0 flag8 flag9 0 {} 4.82924 0.01400 0.00939 ++ {0.0} {} {} 132.76476 0.26252 0.15992 ++ {0.0} {} 0.0 0.0188 0 {} 0 0 0 1 {} 4.83549 0.01614 0.00784 ++ {0.0} {} {} 130.75362 0.12373 0.16927 ++ {0.0} {} 0.0 0.0178 0 {} 0 0 0 2 {} 4.83467 0.01482 0.00882 ++ {0.0} {} {} 129.10458 0.20382 0.11904 ++ {0.0} {} 0.0 0.0187 0 {} 0 0 0 3 {} 8.21000 0.02774 0.01649 ++ {0.0} {} {} 127.50622 0.20776 0.13309 ++ {0.0} {} 0.0 0.0188 0 {} 0 0 0 4 {} 7.91762 0.02232 0.08644 ++ {0.0} {} {} 127.50999 0.19867 0.44641 ++ {0.0} {} 0.0 1.7003 0 {} 0 0 0 5 {} 7.62551 0.02628 0.01791 ++ {0.0} {} {} 127.50858 0.20357 0.14671 ++ {0.0} {} 0.0 0.0201 0 {} 0 0 0 6 {} 8.49503 0.03205 0.02157 ++ {0.0} {} {} 125.61246 0.27619 0.18033 ++ {0.0} {} 0.0 0.0193 0 {} 0 0 0 7 {} 4.82705 0.01268 0.00691 ++ {0.0} {} {} 124.96932 0.21169 0.06064 ++ {0.0} {} 0.0 0.0155 0 {} 0 0 0 8 {} 8.37280 0.02644 0.04214 ++ {0.0} {} {} 124.19898 0.22511 0.35544 ++ {0.0} {} 0.0 0.0660 0 {} 0 0 0 9 {} 8.74703 0.02573 0.03446 ++ {0.0} {} {} 123.79691 0.21655 0.29996 ++ {0.0} {} 0.0 0.0457 0 {} 0 0 0 10 {} 8.69082 0.04107 0.02477 ++ {0.0} {} {} 123.45157 0.27714 0.16544 ++ {0.0} {} 0.0 0.0188 0 {} 0 0 0 11 {} 4.82670 0.01342 0.00862 ++ {0.0} {} {} 123.17213 0.20760 0.09066 ++ {0.0} {} 0.0 0.0173 0 {} 0 0 0 12 {} 8.43165 0.02733 0.12354 ++ {0.0} {} {} 123.07154 0.23405 0.70363 ++ {0.0} {} 0.0 0.4577 0 {} 0 0 0 13 {} 8.23528 0.02979 0.03026 ++ {0.0} {} {} 122.69202 0.25389 0.25935 ++ {0.0} {} 0.0 0.0286 0 {} 0 0 0 14 {} 7.96193 0.02718 0.13237 ++ {0.0} {} {} 122.53312 0.23421 0.73133 ++ {0.0} {} 0.0 0.5122 0 {} 0 0 0 15 {} 8.67766 0.04930 0.08849 ++ {0.0} {} {} 122.38606 0.31528 0.52468 ++ {0.0} {} 0.0 0.0621 0 {} 0 0 0 16 {} 8.33606 0.02502 0.11035 ++ {0.0} {} {} 122.28527 0.20321 0.49933 ++ {0.0} {} 0.0 0.2205 0 {} 0 0 0 17 {} 8.39569 0.02934 0.16860 ++ {0.0} {} {} 122.04286 0.26178 0.99440 ++ {0.0} {} 0.0 0.4349 0 {} 0 0 0 18 {} 8.53587 0.01922 0.03556 ++ {0.0} {} {} 121.95878 0.29818 0.24444 ++ {0.0} {} 0.0 0.0231 0 {} 0 0 0 19 {} 8.28828 0.02279 0.18558 ++ {0.0} {} {} 121.95860 0.21107 0.89495 ++ {0.0} {} 0.0 1.0796 0 {} 0 0 0 20 {} 8.14758 0.01515 0.01965 ++ {0.0} {} {} 121.97972 0.28263 0.14334 ++ {0.0} {} 0.0 0.0177 0 {} 0 0 0 21 {} 8.03714 0.03046 0.02001 ++ {0.0} {} {} 121.95777 0.24361 0.14368 ++ {0.0} {} 0.0 0.0183 0 {} 0 0 0 22 {} 8.34310 0.02943 0.22106 ++ {0.0} {} {} 121.54340 0.47563 1.04052 ++ {0.0} {} 0.0 0.4357 0 {} 0 0 0 23 {} 8.46410 0.04233 0.14617 ++ {0.0} {} {} 121.49746 0.31158 0.44511 ++ {0.0} {} 0.0 0.1469 0 {} 0 0 0 24 {} 8.26174 0.04459 0.06369 ++ {0.0} {} {} 121.37206 0.48558 0.69368 ++ {0.0} {} 0.0 0.1037 0 {} 0 0 0 25 {} 8.06898 0.02725 0.17795 ++ {0.0} {} {} 121.39793 0.24245 0.69946 ++ {0.0} {} 0.0 0.4469 0 {} 0 0 0 26 {} 8.60828 0.01449 0.02512 ++ {0.0} {} {} 121.27224 0.18915 0.27611 ++ {0.0} {} 0.0 0.0215 0 {} 0 0 0 27 {} 8.49471 0.02591 0.15983 ++ {0.0} {} {} 121.24203 0.24019 1.64916 ++ {0.0} {} 0.0 0.5950 0 {} 0 0 0 28 {} 8.35793 0.02240 0.23162 ++ {0.0} {} {} 121.29634 0.20523 2.50397 ++ {0.0} {} 0.0 1.1750 0 {} 0 0 0 29 {} 8.21936 0.02655 0.19756 ++ {0.0} {} {} 121.21867 0.23828 0.82664 ++ {0.0} {} 0.0 0.4676 0 {} 0 0 0 30 {} 8.65061 0.03084 0.04840 ++ {0.0} {} {} 121.08757 0.31158 0.44511 ++ {0.0} {} 0.0 0.0554 0 {} 0 0 0 31 {} 8.40301 0.02838 0.04810 ++ {0.0} {} {} 121.03070 0.23801 1.20816 ++ {0.0} {} 0.0 1.2822 0 {} 0 0 0 32 {} 8.31467 0.02360 0.03372 ++ {0.0} {} {} 121.02160 0.26879 0.95381 ++ {0.0} {} 0.0 0.1720 0 {} 0 0 0 33 {} 8.10473 0.03720 0.22106 ++ {0.0} {} {} 121.04518 0.27034 1.25901 ++ {0.0} {} 0.0 0.4458 0 {} 0 0 0 34 {} 8.69341 0.02603 0.21025 ++ {0.0} {} {} 120.83974 0.20395 0.80111 ++ {0.0} {} 0.0 0.5399 0 {} 0 0 0 35 {} 8.07858 0.02720 0.24633 ++ {0.0} {} {} 120.89223 0.26820 0.82664 ++ {0.0} {} 0.0 0.4930 0 {} 0 0 0 36 {} 8.77868 0.04292 0.06131 ++ {0.0} {} {} 120.83215 0.20678 0.10250 ++ {0.0} {} 0.0 0.0181 0 {} 0 0 0 37 {} 8.27174 0.02383 0.25103 ++ {0.0} {} {} 120.81480 0.23066 2.22556 ++ {0.0} {} 0.0 1.2713 0 {} 0 0 0 38 {} 7.75494 0.02718 0.17834 ++ {0.0} {} {} 120.81280 0.23144 0.71938 ++ {0.0} {} 0.0 0.4394 0 {} 0 0 0 39 {} 8.53111 0.03672 0.25205 ++ {0.0} {} {} 120.74218 0.30966 0.96900 ++ {0.0} {} 0.0 0.6257 0 {} 0 0 0 40 {} 8.15378 0.02478 0.16111 ++ {0.0} {} {} 120.57706 0.23794 1.93382 ++ {0.0} {} 0.0 0.8738 0 {} 0 0 0 41 {} 7.85985 0.02235 0.00753 ++ {0.0} {} {} 120.57065 0.14418 0.09604 ++ {0.0} {} 0.0 0.0157 0 {} 0 0 0 42 {} 8.39087 0.02685 0.21349 ++ {0.0} {} {} 120.37982 0.22292 0.69946 ++ {0.0} {} 0.0 0.4058 0 {} 0 0 0 43 {} 8.32843 0.02146 0.03066 ++ {0.0} {} {} 120.38508 0.29846 0.42638 ++ {0.0} {} 0.0 0.0315 0 {} 0 0 0 44 {} 7.97264 0.03098 0.25389 ++ {0.0} {} {} 120.32300 0.23421 1.08098 ++ {0.0} {} 0.0 0.9122 0 {} 0 0 0 45 {} 8.09122 0.05508 0.07868 ++ {0.0} {} {} 120.27241 0.31158 0.44511 ++ {0.0} {} 0.0 0.0668 0 {} 0 0 0 46 {} 8.50786 0.02359 0.02307 ++ {0.0} {} {} 120.17188 0.15846 0.34036 ++ {0.0} {} 0.0 0.0273 0 {} 0 0 0 47 {} 8.21082 0.02384 0.23381 ++ {0.0} {} {} 120.15269 0.19952 1.79201 ++ {0.0} {} 0.0 1.0917 0 {} 0 0 0 48 {} 8.44277 0.02588 0.01685 ++ {0.0} {} {} 119.91392 0.23413 0.07048 ++ {0.0} {} 0.0 0.0161 0 {} 0 0 0 49 {} 8.35485 0.02656 0.04332 ++ {0.0} {} {} 119.90554 0.21976 0.88452 ++ {0.0} {} 0.0 0.5711 0 {} 0 0 0 50 {} 7.69711 0.02922 0.12441 ++ {0.0} {} {} 119.89471 0.24316 0.77593 ++ {0.0} {} 0.0 0.3271 0 {} 0 0 0 51 {} 8.11382 0.02887 0.10218 ++ {0.0} {} {} 119.68071 0.10111 0.52026 ++ {0.0} {} 0.0 0.1029 0 {} 0 0 0 52 {} 7.99145 0.02647 0.20777 ++ {0.0} {} {} 119.73012 0.23364 0.94555 ++ {0.0} {} 0.0 0.5773 0 {} 0 0 0 53 {} 8.30579 0.02877 0.18996 ++ {0.0} {} {} 119.64046 0.25486 1.33533 ++ {0.0} {} 0.0 0.4479 0 {} 0 0 0 54 {} 8.47645 0.02369 0.01598 ++ {0.0} {} {} 119.46191 0.22908 0.13749 ++ {0.0} {} 0.0 0.0190 0 {} 0 0 0 55 {} 8.17885 0.02360 0.03489 ++ {0.0} {} {} 119.46062 0.20908 1.17082 ++ {0.0} {} 0.0 1.0389 0 {} 0 0 0 56 {} 7.88111 0.02691 0.20204 ++ {0.0} {} {} 119.49864 0.24487 0.95769 ++ {0.0} {} 0.0 0.4842 0 {} 0 0 0 57 {} 8.27920 0.03073 0.14219 ++ {0.0} {} {} 119.30124 0.26369 1.09459 ++ {0.0} {} 0.0 0.3584 0 {} 0 0 0 58 {} 8.10778 0.02706 0.13863 ++ {0.0} {} {} 119.22210 0.21455 0.79845 ++ {0.0} {} 0.0 0.4947 0 {} 0 0 0 59 {} 8.01425 0.02885 0.04121 ++ {0.0} {} {} 119.24828 0.16751 0.20832 ++ {0.0} {} 0.0 0.0180 0 {} 0 0 0 60 {} 7.85151 0.02811 0.14882 ++ {0.0} {} {} 119.24705 0.24834 1.04849 ++ {0.0} {} 0.0 0.4057 0 {} 0 0 0 61 {} 8.52415 0.02850 0.05068 ++ {0.0} {} {} 119.09007 0.31658 0.48750 ++ {0.0} {} 0.0 0.0551 0 {} 0 0 0 62 {} 8.19872 0.02716 0.16111 ++ {0.0} {} {} 119.09516 0.24963 0.69946 ++ {0.0} {} 0.0 0.5028 0 {} 0 0 0 63 {} 8.32965 0.02552 0.16860 ++ {0.0} {} {} 118.95832 0.22905 0.82961 ++ {0.0} {} 0.0 0.6468 0 {} 0 0 0 64 {} 8.41816 0.02508 0.13588 ++ {0.0} {} {} 118.78848 0.23628 0.72868 ++ {0.0} {} 0.0 0.4670 0 {} 0 0 0 65 {} 7.85907 0.02733 0.13735 ++ {0.0} {} {} 118.48601 0.23134 0.83430 ++ {0.0} {} 0.0 0.5175 0 {} 0 0 0 66 {} 8.15213 0.02881 0.18120 ++ {0.0} {} {} 118.43861 0.24295 0.77709 ++ {0.0} {} 0.0 0.4925 0 {} 0 0 0 67 {} 8.18733 0.03500 0.13423 ++ {0.0} {} {} 118.28678 0.24074 0.67458 ++ {0.0} {} 0.0 0.2806 0 {} 0 0 0 68 {} 8.04932 0.02708 0.11144 ++ {0.0} {} {} 118.12646 0.24411 0.79300 ++ {0.0} {} 0.0 0.4773 0 {} 0 0 0 69 {} 7.66644 0.03315 0.07868 ++ {0.0} {} {} 117.95881 0.23324 0.70168 ++ {0.0} {} 0.0 0.3518 0 {} 0 0 0 70 {} 8.51587 0.02538 0.09895 ++ {0.0} {} {} 117.80165 0.22903 0.74016 ++ {0.0} {} 0.0 0.5335 0 {} 0 0 0 71 {} 7.62508 0.02965 0.14471 ++ {0.0} {} {} 117.82587 0.21269 0.67547 ++ {0.0} {} 0.0 0.4247 0 {} 0 0 0 72 {} 8.17026 0.02665 0.09346 ++ {0.0} {} {} 117.29473 0.23667 0.78991 ++ {0.0} {} 0.0 0.3824 0 {} 0 0 0 73 {} 8.40640 0.02544 0.10246 ++ {0.0} {} {} 116.75783 0.24406 0.77446 ++ {0.0} {} 0.0 0.4768 0 {} 0 0 0 74 {} 8.21748 0.02602 0.11006 ++ {0.0} {} {} 115.43929 0.23660 0.67914 ++ {0.0} {} 0.0 0.4735 0 {} 0 0 0 75 {} 7.58173 0.06275 0.01201 ++ {0.0} {} {} 114.97583 0.36264 0.06885 ++ {0.0} {} 0.0 0.0148 0 {} 0 0 0 76 {} 7.46517 0.06046 0.01430 ++ {0.0} {} {} 114.96133 0.38329 0.14459 ++ {0.0} {} 0.0 0.0159 0 {} 0 0 0 77 {} 7.52974 0.07964 0.04110 ++ {0.0} {} {} 114.37597 0.32865 0.21800 ++ {0.0} {} 0.0 0.0201 0 {} 0 0 0 78 {} 7.41276 0.08316 0.05824 ++ {0.0} {} {} 114.37634 0.32993 0.27161 ++ {0.0} {} 0.0 0.0233 0 {} 0 0 0 79 {} 7.70741 0.01311 0.01873 ++ {0.0} {} {} 113.67447 0.19811 0.43154 ++ {0.0} {} 0.0 0.1705 0 {} 0 0 0 80 {} 7.05233 0.02543 0.01563 ++ {0.0} {} {} 113.66917 0.19653 0.12278 ++ {0.0} {} 0.0 0.0198 0 {} 0 0 0 81 {} 8.02928 0.01963 0.00663 ++ {0.0} {} {} 113.66291 0.19850 0.04734 ++ {0.0} {} 0.0 0.0158 0 {} 0 0 0 82 {} 7.82404 0.02616 0.01426 ++ {0.0} {} {} 113.66646 0.18904 0.09697 ++ {0.0} {} 0.0 0.0184 0 {} 0 0 0 83 {} 7.73430 0.01845 0.12531 ++ {0.0} {} {} 113.66507 0.22106 0.99027 ++ {0.0} {} 0.0 1.1583 0 {} 0 0 0 84 {} 7.64638 0.01329 0.02600 ++ {0.0} {} {} 113.66411 0.20183 0.17492 ++ {0.0} {} 0.0 0.0244 0 {} 0 0 0 85 {} 7.58567 0.03032 0.01029 ++ {0.0} {} {} 113.65476 0.27559 0.07736 ++ {0.0} {} 0.0 0.0160 0 {} 0 0 0 86 {} 7.44007 0.01874 0.00827 ++ {0.0} {} {} 113.66329 0.19285 0.06188 ++ {0.0} {} 0.0 0.0165 0 {} 0 0 0 87 {} 7.25425 0.02077 0.00739 ++ {0.0} {} {} 113.66338 0.19025 0.03783 ++ {0.0} {} 0.0 0.0155 0 {} 0 0 0 88 {} 6.96251 0.02255 0.10799 ++ {0.0} {} {} 113.66530 0.22281 1.26501 ++ {0.0} {} 0.0 1.1097 0 {} 0 0 0 89 {} 6.87587 0.01748 0.03632 ++ {0.0} {} {} 113.65328 0.23957 0.22507 ++ {0.0} {} 0.0 0.0262 0 {} 0 0 0 90 {} 6.67055 0.01842 0.00312 ++ {0.0} {} {} 113.66503 0.18919 0.02597 ++ {0.0} {} 0.0 0.0150 0 {} 0 0 0 91 {} 7.73730 0.01649 0.02762 ++ {0.0} {} {} 113.18568 0.29390 0.48171 ++ {0.0} {} 0.0 0.0679 0 {} 0 0 0 92 {} 6.96587 0.02170 0.03227 ++ {0.0} {} {} 113.14101 0.32409 0.49824 ++ {0.0} {} 0.0 0.0617 0 {} 0 0 0 93 {} 7.62579 0.01986 0.04364 ++ {0.0} {} {} 112.69221 0.19004 0.36235 ++ {0.0} {} 0.0 0.1087 0 {} 0 0 0 94 {} 6.91983 0.01148 0.05047 ++ {0.0} {} {} 112.68494 0.22256 0.31794 ++ {0.0} {} 0.0 0.1102 0 {} 0 0 0 95 {} 7.88131 0.00721 0.00883 ++ {0.0} {} {} 112.38576 0.19182 0.08886 ++ {0.0} {} 0.0 0.0177 0 {} 0 0 0 96 {} 7.85890 0.01316 0.00734 ++ {0.0} {} {} 112.38966 0.20138 0.03719 ++ {0.0} {} 0.0 0.0153 0 {} 0 0 0 97 {} 7.67899 0.04449 0.01000 ++ {0.0} {} {} 112.37092 0.30068 0.04685 ++ {0.0} {} 0.0 0.0148 0 {} 0 0 0 98 {} 7.58573 0.02360 0.03372 ++ {0.0} {} {} 112.38456 0.19146 0.69946 ++ {0.0} {} 0.0 1.8367 0 {} 0 0 0 99 {} 7.56220 0.02360 0.03372 ++ {0.0} {} {} 112.38489 0.21769 0.95381 ++ {0.0} {} 0.0 1.3870 0 {} 0 0 0 100 {} 7.35481 0.02039 0.04738 ++ {0.0} {} {} 112.34708 0.24709 0.25330 ++ {0.0} {} 0.0 0.0289 0 {} 0 0 0 101 {} 7.29027 0.02517 0.02874 ++ {0.0} {} {} 112.37465 0.23490 0.25593 ++ {0.0} {} 0.0 0.0305 0 {} 0 0 0 102 {} 7.26847 0.01679 0.01632 ++ {0.0} {} {} 112.37106 0.13349 0.18136 ++ {0.0} {} 0.0 0.0185 0 {} 0 0 0 103 {} 7.16842 0.02829 0.05488 ++ {0.0} {} {} 112.36708 0.24910 0.32705 ++ {0.0} {} 0.0 0.0432 0 {} 0 0 0 104 {} 7.05663 0.02150 0.25826 ++ {0.0} {} {} 112.34185 0.18520 0.80675 ++ {0.0} {} 0.0 0.8191 0 {} 0 0 0 105 {} 6.96825 0.02885 0.04121 ++ {0.0} {} {} 112.35445 0.24987 0.31691 ++ {0.0} {} 0.0 0.0378 0 {} 0 0 0 106 {} 6.87616 0.03819 0.34402 ++ {0.0} {} {} 112.37924 0.22926 0.82664 ++ {0.0} {} 0.0 2.2751 0 {} 0 0 0 107 {} 6.67609 0.02243 0.23297 ++ {0.0} {} {} 112.34251 0.18883 1.05842 ++ {0.0} {} 0.0 0.8860 0 {} 0 0 0 108 {} 6.58385 0.01244 0.03065 ++ {0.0} {} {} 112.36760 0.24227 0.28210 ++ {0.0} {} 0.0 0.0343 0 {} 0 0 0 109 {} 7.54523 0.02353 0.07868 ++ {0.0} {} {} 112.15639 0.24529 1.63193 ++ {0.0} {} 0.0 0.8946 0 {} 0 0 0 110 {} 7.25242 0.01144 0.01022 ++ {0.0} {} {} 112.11799 0.43283 0.15072 ++ {0.0} {} 0.0 0.0162 0 {} 0 0 0 111 {} 7.21992 0.01090 0.00890 ++ {0.0} {} {} 112.12569 0.23366 0.08413 ++ {0.0} {} 0.0 0.0162 0 {} 0 0 0 112 {} 6.92665 0.02269 0.07868 ++ {0.0} {} {} 112.12965 0.22098 1.54185 ++ {0.0} {} 0.0 0.9679 0 {} 0 0 0 113 {} 6.85558 0.02418 0.11615 ++ {0.0} {} {} 112.15380 0.24862 1.20816 ++ {0.0} {} 0.0 1.2543 0 {} 0 0 0 114 {} 6.56287 0.02782 0.00882 ++ {0.0} {} {} 112.16139 0.27377 0.07394 ++ {0.0} {} 0.0 0.0156 0 {} 0 0 0 115 {} 7.77684 0.02426 0.01845 ++ {0.0} {} {} 112.08470 0.31286 0.21114 ++ {0.0} {} 0.0 0.0206 0 {} 0 0 0 116 {} 7.48313 0.02432 0.10116 ++ {0.0} {} {} 112.07654 0.26558 1.65195 ++ {0.0} {} 0.0 1.5937 0 {} 0 0 0 117 {} 7.18972 0.01487 0.02247 ++ {0.0} {} {} 112.08722 0.13175 0.19000 ++ {0.0} {} 0.0 0.0195 0 {} 0 0 0 118 {} 7.33661 0.01855 0.02730 ++ {0.0} {} {} 112.00387 0.82058 0.64023 ++ {0.0} {} 0.0 0.0206 0 {} 0 0 0 119 {} 6.75289 0.02094 0.16860 ++ {0.0} {} {} 112.02164 0.21245 1.35805 ++ {0.0} {} 0.0 0.9723 0 {} 0 0 0 120 {} 7.57306 0.02340 0.10866 ++ {0.0} {} {} 111.86790 0.23861 0.82664 ++ {0.0} {} 0.0 0.8559 0 {} 0 0 0 121 {} 7.05858 0.02111 0.03306 ++ {0.0} {} {} 111.85909 0.14073 0.45623 ++ {0.0} {} 0.0 0.0530 0 {} 0 0 0 122 {} 6.88080 0.02352 0.10866 ++ {0.0} {} {} 111.86750 0.25118 0.63587 ++ {0.0} {} 0.0 1.0360 0 {} 0 0 0 123 {} 6.67849 0.02305 0.03848 ++ {0.0} {} {} 111.83327 0.40060 0.57229 ++ {0.0} {} 0.0 0.0576 0 {} 0 0 0 124 {} 6.58787 0.02680 0.01200 ++ {0.0} {} {} 111.84777 0.31256 0.12245 ++ {0.0} {} 0.0 0.0160 0 {} 0 0 0 125 {} 7.63942 0.01916 0.09308 ++ {0.0} {} {} 111.78059 0.21303 1.69721 ++ {0.0} {} 0.0 1.1834 0 {} 0 0 0 126 {} 7.34485 0.00995 0.01610 ++ {0.0} {} {} 111.81129 0.17987 0.28998 ++ {0.0} {} 0.0 0.0208 0 {} 0 0 0 127 {} 7.10606 0.01310 0.01452 ++ {0.0} {} {} 111.79618 0.23462 0.07875 ++ {0.0} {} 0.0 0.0159 0 {} 0 0 0 128 {} 6.81391 0.02258 0.10116 ++ {0.0} {} {} 111.77520 0.20002 1.79298 ++ {0.0} {} 0.0 0.9645 0 {} 0 0 0 129 {} 6.92925 0.02404 0.04158 ++ {0.0} {} {} 111.63350 0.37322 0.53317 ++ {0.0} {} 0.0 0.0570 0 {} 0 0 0 130 {} 6.75732 0.02502 0.03792 ++ {0.0} {} {} 111.47240 0.31158 0.44511 ++ {0.0} {} 0.0 0.0614 0 {} 0 0 0 131 {} 7.57592 0.01945 0.02806 ++ {0.0} {} {} 111.39848 0.29597 0.42281 ++ {0.0} {} 0.0 0.0494 0 {} 0 0 0 132 {} 7.46389 0.02009 0.11249 ++ {0.0} {} {} 111.40112 0.21808 1.08098 ++ {0.0} {} 0.0 1.0159 0 {} 0 0 0 133 {} 7.16437 0.02650 0.00921 ++ {0.0} {} {} 111.39862 0.20844 0.04941 ++ {0.0} {} 0.0 0.0156 0 {} 0 0 0 134 {} 6.86542 0.02293 0.15603 ++ {0.0} {} {} 111.40224 0.20621 0.57229 ++ {0.0} {} 0.0 0.9344 0 {} 0 0 0 135 {} 6.57285 0.02716 0.00542 ++ {0.0} {} {} 111.38136 0.27636 0.04716 ++ {0.0} {} 0.0 0.0148 0 {} 0 0 0 136 {} 6.81818 0.02885 0.04121 ++ {0.0} {} {} 111.33449 0.40060 0.57229 ++ {0.0} {} 0.0 0.0660 0 {} 0 0 0 137 {} 7.64296 0.01731 0.02604 ++ {0.0} {} {} 111.29836 0.12978 0.57180 ++ {0.0} {} 0.0 0.0647 0 {} 0 0 0 138 {} 6.76594 0.02035 0.14306 ++ {0.0} {} {} 111.07937 0.21143 0.69946 ++ {0.0} {} 0.0 1.1694 0 {} 0 0 0 139 {} 6.47439 0.02400 0.00072 ++ {0.0} {} {} 111.07770 0.19948 0.00412 ++ {0.0} {} 0.0 0.0142 0 {} 0 0 0 140 {} 7.44147 0.01311 0.01873 ++ {0.0} {} {} 111.05510 0.09863 0.08843 ++ {0.0} {} 0.0 0.0170 0 {} 0 0 0 141 {} 7.37700 0.02278 0.10463 ++ {0.0} {} {} 111.06459 0.22579 1.28520 ++ {0.0} {} 0.0 1.5579 0 {} 0 0 0 142 {} 7.14672 0.01579 0.01739 ++ {0.0} {} {} 111.01798 0.20783 0.05340 ++ {0.0} {} 0.0 0.0158 0 {} 0 0 0 143 {} 7.08492 0.03313 0.02153 ++ {0.0} {} {} 111.04668 0.22426 0.14739 ++ {0.0} {} 0.0 0.0194 0 {} 0 0 0 144 {} 7.06240 0.01264 0.00240 ++ {0.0} {} {} 111.05957 0.20018 0.00954 ++ {0.0} {} 0.0 0.0143 0 {} 0 0 0 145 {} 7.86952 0.02206 0.10948 ++ {0.0} {} {} 110.97722 0.20963 0.85215 ++ {0.0} {} 0.0 0.7961 0 {} 0 0 0 146 {} 6.85938 0.02322 0.10617 ++ {0.0} {} {} 110.99482 0.21904 0.57229 ++ {0.0} {} 0.0 0.8955 0 {} 0 0 0 147 {} 6.67885 0.02462 0.14612 ++ {0.0} {} {} 110.97350 0.22256 0.31794 ++ {0.0} {} 0.0 0.7063 0 {} 0 0 0 148 {} 6.57001 0.01356 0.02097 ++ {0.0} {} {} 110.99282 0.26660 0.15574 ++ {0.0} {} 0.0 0.0191 0 {} 0 0 0 149 {} 7.46603 0.01758 0.02602 ++ {0.0} {} {} 110.93742 0.14217 0.48329 ++ {0.0} {} 0.0 0.0611 0 {} 0 0 0 150 {} 8.56518 0.03626 0.11508 ++ {0.0} {} {} 110.79746 0.26607 0.61527 ++ {0.0} {} 0.0 0.2079 0 {} 0 0 0 151 {} 6.78584 0.02660 0.14646 ++ {0.0} {} {} 110.72520 0.18921 0.44511 ++ {0.0} {} 0.0 0.5278 0 {} 0 0 0 152 {} 6.68332 0.02365 0.14183 ++ {0.0} {} {} 110.72565 0.22256 0.31794 ++ {0.0} {} 0.0 0.7131 0 {} 0 0 0 153 {} 7.38025 0.02041 0.03331 ++ {0.0} {} {} 110.59254 0.13250 0.48698 ++ {0.0} {} 0.0 0.0808 0 {} 0 0 0 154 {} 7.87249 0.01940 0.02784 ++ {0.0} {} {} 110.50516 0.15607 0.47739 ++ {0.0} {} 0.0 0.0530 0 {} 0 0 0 155 {} 6.86201 0.01870 0.02581 ++ {0.0} {} {} 110.48743 0.22256 0.31794 ++ {0.0} {} 0.0 0.0470 0 {} 0 0 0 156 {} 6.79159 0.02291 0.02678 ++ {0.0} {} {} 110.25165 0.11600 0.30909 ++ {0.0} {} 0.0 0.0352 0 {} 0 0 0 157 {} 8.43701 0.03683 0.11782 ++ {0.0} {} {} 109.50139 0.23755 0.59047 ++ {0.0} {} 0.0 0.1823 0 {} 0 0 0 158 {} 8.10018 0.04979 0.07901 ++ {0.0} {} {} 107.53369 0.29464 0.43382 ++ {0.0} {} 0.0 0.0503 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 HN . . 3212.22216797 Hz . . . 4.796000000381 . . 30870 1 2 . . H 1 H . . 8798.94433594 Hz . . . 4.796000000381 . . 30870 1 3 . . N 15 N . . 2399.65991211 Hz . . . 120.113998413 . . 30870 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_2 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_2 _Spectral_peak_list.Entry_ID 30870 _Spectral_peak_list.ID 2 _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 2 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _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 ; 1H-13C NOESY. Includes both aromatic and alphatic CH through multiple aliasing on the 13C dimension. Accessed via the Ponderosa Web client. Automatic NOE assignments via CYANA. Structure calculation and refinement via simulated annealing carried out using X-PLOR NIH. ; _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; label dataset sw sf 1H C13 20191121_JR21_aliphatic_gChsqc.nv 3903.79223633 10553.9335937 599.607971191 150.776000977 1H.L 1H.P 1H.W 1H.B 1H.E 1H.J 1H.U C13.L C13.P C13.W C13.B C13.E C13.J C13.U vol int stat comment flag0 flag8 flag9 0 {} 4.34903 0.04825 0.06952 ++ {0.0} {} {} 65.10519 0.65351 0.89192 ++ {0.0} {} 0.0 0.2383 0 {} 0 0 0 1 {} 3.83790 0.06378 0.06754 ++ {0.0} {} {} 64.84576 0.80892 0.85151 ++ {0.0} {} 0.0 0.1415 0 {} 0 0 0 2 {} 3.94660 0.09684 0.16448 ++ {0.0} {} {} 63.59277 0.75626 1.03073 ++ {0.0} {} 0.0 0.2717 0 {} 0 0 0 3 {} 4.41226 0.04290 0.07261 ++ {0.0} {} {} 63.29889 0.70904 1.18069 ++ {0.0} {} 0.0 0.4110 0 {} 0 0 0 4 {} 4.17936 0.05905 0.07384 ++ {0.0} {} {} 61.39729 0.65335 0.80494 ++ {0.0} {} 0.0 0.1817 0 {} 0 0 0 5 {} 4.61684 0.05765 0.05547 ++ {0.0} {} {} 60.66062 0.68127 0.65706 ++ {0.0} {} 0.0 0.1232 0 {} 0 0 0 6 {} 4.21995 0.06302 0.07091 ++ {0.0} {} {} 60.30873 0.72957 0.78885 ++ {0.0} {} 0.0 0.1469 0 {} 0 0 0 7 {} 4.30091 0.05185 0.05481 ++ {0.0} {} {} 60.16454 0.67219 0.71357 ++ {0.0} {} 0.0 0.1408 0 {} 0 0 0 8 {} 3.94037 0.04734 0.06763 ++ {0.0} {} {} 59.57500 0.77600 0.97542 ++ {0.0} {} 0.0 0.1881 0 {} 0 0 0 9 {} 3.85375 0.05786 0.08266 ++ {0.0} {} {} 59.54317 0.70174 0.85892 ++ {0.0} {} 0.0 0.1888 0 {} 0 0 0 10 {} 3.78868 0.06322 0.09031 ++ {0.0} {} {} 59.51689 0.70927 0.89715 ++ {0.0} {} 0.0 0.2055 0 {} 0 0 0 11 {} 4.39827 0.04270 0.07130 ++ {0.0} {} {} 59.39529 0.80251 1.16006 ++ {0.0} {} 0.0 0.3820 0 {} 0 0 0 12 {} 4.25000 0.07315 0.11272 ++ {0.0} {} {} 59.06472 0.31561 0.90708 ++ {0.0} {} 0.0 0.2123 0 {} 0 0 0 13 {} 4.08941 0.11173 0.28160 ++ {0.0} {} {} 58.94850 1.09605 1.56578 ++ {0.0} {} 0.0 0.9437 0 {} 0 0 0 14 {} 4.30635 0.06925 0.11638 ++ {0.0} {} {} 58.60040 0.85669 1.36011 ++ {0.0} {} 0.0 0.2455 0 {} 0 0 0 15 {} 4.42330 0.06642 0.08602 ++ {0.0} {} {} 57.53665 0.65176 0.80424 ++ {0.0} {} 0.0 0.1887 0 {} 0 0 0 16 {} 4.20304 0.06733 0.13570 ++ {0.0} {} {} 57.02557 1.25938 1.79911 ++ {0.0} {} 0.0 1.3534 0 {} 0 0 0 17 {} 4.07330 0.06269 0.10239 ++ {0.0} {} {} 56.82529 0.81407 1.17880 ++ {0.0} {} 0.0 0.2668 0 {} 0 0 0 18 {} 4.31026 0.10613 0.21793 ++ {0.0} {} {} 56.42462 0.90974 1.29963 ++ {0.0} {} 0.0 1.7726 0 {} 0 0 0 19 {} 4.47225 0.04502 0.09389 ++ {0.0} {} {} 55.87269 0.75834 1.38382 ++ {0.0} {} 0.0 0.7306 0 {} 0 0 0 20 {} 4.58848 0.06151 0.13025 ++ {0.0} {} {} 54.54741 0.83257 1.58824 ++ {0.0} {} 0.0 1.6549 0 {} 0 0 0 21 {} 4.88501 0.06723 0.09360 ++ {0.0} {} {} 51.80671 0.82958 1.05682 ++ {0.0} {} 0.0 0.2049 0 {} 0 0 0 22 {} 4.97534 0.05136 0.08598 ++ {0.0} {} {} 51.28774 0.84220 1.18484 ++ {0.0} {} 0.0 0.3494 0 {} 0 0 0 23 {} 4.02868 0.06392 0.05339 ++ {0.0} {} {} 51.19097 0.73885 0.63918 ++ {0.0} {} 0.0 0.1084 0 {} 0 0 0 24 {} 3.89963 0.06699 0.07403 ++ {0.0} {} {} 51.15944 0.71810 0.77447 ++ {0.0} {} 0.0 0.1439 0 {} 0 0 0 25 {} 3.68713 0.06387 0.10062 ++ {0.0} {} {} 50.60913 0.67661 1.00132 ++ {0.0} {} 0.0 0.3004 0 {} 0 0 0 26 {} 3.89349 0.04713 0.08227 ++ {0.0} {} {} 46.37070 0.44299 0.72677 ++ {0.0} {} 0.0 0.3415 0 {} 0 0 0 27 {} 3.96798 0.03619 0.08244 ++ {0.0} {} {} 45.28935 0.48334 1.03815 ++ {0.0} {} 0.0 1.7330 0 {} 0 0 0 28 {} 4.22535 0.07236 0.07917 ++ {0.0} {} {} 44.81686 0.47867 0.52602 ++ {0.0} {} 0.0 0.1467 0 {} 0 0 0 29 {} 3.81463 0.03684 0.11033 ++ {0.0} {} {} 43.82812 0.45281 0.87413 ++ {0.0} {} 0.0 1.7004 0 {} 0 0 0 30 {} 3.19328 0.07858 0.29157 ++ {0.0} {} {} 43.35959 0.79458 1.13511 ++ {0.0} {} 0.0 4.1502 0 {} 0 0 0 31 {} 3.09403 0.03682 0.05260 ++ {0.0} {} {} 43.42791 0.78662 1.43467 ++ {0.0} {} 0.0 0.5338 0 {} 0 0 0 32 {} 1.60057 0.09864 0.02360 ++ {0.0} {} {} 43.40354 0.52834 0.10972 ++ {0.0} {} 0.0 0.0692 0 {} 0 0 0 33 {} 2.83422 0.09861 0.01949 ++ {0.0} {} {} 42.07555 0.50801 0.52742 ++ {0.0} {} 0.0 0.0701 0 {} 0 0 0 34 {} 4.59199 0.05097 0.05433 ++ {0.0} {} {} 41.27941 0.43557 0.46921 ++ {0.0} {} 0.0 0.1421 0 {} 0 0 0 35 {} 2.70788 0.09995 0.14278 ++ {0.0} {} {} 41.26471 0.86880 1.60567 ++ {0.0} {} 0.0 0.8907 0 {} 0 0 0 36 {} 2.61906 0.07891 0.11272 ++ {0.0} {} {} 41.22004 0.92668 1.97549 ++ {0.0} {} 0.0 0.9383 0 {} 0 0 0 37 {} 2.83623 0.04240 0.07301 ++ {0.0} {} {} 40.74993 0.92132 0.74521 ++ {0.0} {} 0.0 0.1054 0 {} 0 0 0 38 {} 2.77433 0.06254 0.08557 ++ {0.0} {} {} 39.09898 0.82798 1.04388 ++ {0.0} {} 0.0 0.2080 0 {} 0 0 0 39 {} 2.64657 0.07163 0.09625 ++ {0.0} {} {} 39.15114 0.88425 1.08595 ++ {0.0} {} 0.0 0.1947 0 {} 0 0 0 40 {} 4.97913 0.04039 0.01300 ++ {0.0} {} {} 39.08183 0.38720 0.07261 ++ {0.0} {} 0.0 0.0710 0 {} 0 0 0 41 {} 3.19276 0.11151 0.06435 ++ {0.0} {} {} 38.59591 0.39830 0.54905 ++ {0.0} {} 0.0 0.0871 0 {} 0 0 0 42 {} 1.93152 0.06766 0.02844 ++ {0.0} {} {} 38.04752 0.94295 0.35279 ++ {0.0} {} 0.0 0.0721 0 {} 0 0 0 43 {} 3.35099 0.11427 0.06354 ++ {0.0} {} {} 37.50396 0.81233 0.46649 ++ {0.0} {} 0.0 0.0828 0 {} 0 0 0 44 {} 3.18612 0.08452 0.08056 ++ {0.0} {} {} 37.55743 0.43769 0.89625 ++ {0.0} {} 0.0 0.1233 0 {} 0 0 0 45 {} 3.13380 0.10836 0.10272 ++ {0.0} {} {} 36.41971 1.21552 1.13060 ++ {0.0} {} 0.0 0.1205 0 {} 0 0 0 46 {} 2.60805 0.08333 0.09539 ++ {0.0} {} {} 36.46865 0.85337 0.98974 ++ {0.0} {} 0.0 0.1637 0 {} 0 0 0 47 {} 2.25753 0.10229 0.36823 ++ {0.0} {} {} 36.33862 0.74534 2.14007 ++ {0.0} {} 0.0 2.4198 0 {} 0 0 0 48 {} 2.07503 0.08312 0.14176 ++ {0.0} {} {} 36.28661 0.54862 0.76589 ++ {0.0} {} 0.0 0.2766 0 {} 0 0 0 49 {} 1.94443 0.05858 0.06896 ++ {0.0} {} {} 36.32431 0.52015 0.59719 ++ {0.0} {} 0.0 0.1607 0 {} 0 0 0 50 {} 2.50683 0.06838 0.09769 ++ {0.0} {} {} 34.18690 0.93591 1.55603 ++ {0.0} {} 0.0 0.8500 0 {} 0 0 0 51 {} 2.36781 0.08926 0.12751 ++ {0.0} {} {} 33.97556 0.81388 1.16268 ++ {0.0} {} 0.0 2.2065 0 {} 0 0 0 52 {} 2.10297 0.08943 0.12775 ++ {0.0} {} {} 33.93763 0.78600 1.02915 ++ {0.0} {} 0.0 0.2091 0 {} 0 0 0 53 {} 2.26231 0.06838 0.09769 ++ {0.0} {} {} 33.82989 0.80520 1.34636 ++ {0.0} {} 0.0 0.7126 0 {} 0 0 0 54 {} 1.89344 0.05207 0.06149 ++ {0.0} {} {} 33.63530 0.63779 0.74417 ++ {0.0} {} 0.0 0.1612 0 {} 0 0 0 55 {} 2.05036 0.12362 0.22544 ++ {0.0} {} {} 33.56703 0.98269 1.33636 ++ {0.0} {} 0.0 0.2498 0 {} 0 0 0 56 {} 2.27675 0.08318 0.10378 ++ {0.0} {} {} 32.21200 0.93391 1.17443 ++ {0.0} {} 0.0 0.1829 0 {} 0 0 0 57 {} 2.57277 0.07691 0.11709 ++ {0.0} {} {} 32.04450 0.79021 1.12937 ++ {0.0} {} 0.0 0.3041 0 {} 0 0 0 58 {} 2.06887 0.06742 0.00914 ++ {0.0} {} {} 31.63377 0.28317 0.06865 ++ {0.0} {} 0.0 0.0661 0 {} 0 0 0 59 {} 1.59471 0.04186 0.03272 ++ {0.0} {} {} 31.61473 0.87378 0.69078 ++ {0.0} {} 0.0 0.0992 0 {} 0 0 0 60 {} 1.78149 0.09995 0.14278 ++ {0.0} {} {} 30.76929 1.17311 1.84403 ++ {0.0} {} 0.0 0.4397 0 {} 0 0 0 61 {} 1.65203 0.03819 0.06811 ++ {0.0} {} {} 30.67634 0.84974 0.70194 ++ {0.0} {} 0.0 0.1059 0 {} 0 0 0 62 {} 4.26320 0.04464 0.06377 ++ {0.0} {} {} 30.46087 0.72760 0.33890 ++ {0.0} {} 0.0 0.0774 0 {} 0 0 0 63 {} 4.20962 0.02419 0.03917 ++ {0.0} {} {} 30.37461 0.61661 0.40573 ++ {0.0} {} 0.0 0.0897 0 {} 0 0 0 64 {} 2.06461 0.13151 0.18787 ++ {0.0} {} {} 30.21810 0.46840 2.29696 ++ {0.0} {} 0.0 0.8489 0 {} 0 0 0 65 {} 1.93912 0.14203 0.20290 ++ {0.0} {} {} 30.34645 1.07352 1.53360 ++ {0.0} {} 0.0 1.0013 0 {} 0 0 0 66 {} 2.25384 0.14203 0.20290 ++ {0.0} {} {} 30.17312 0.52606 1.51632 ++ {0.0} {} 0.0 0.2680 0 {} 0 0 0 67 {} 2.36644 0.07891 0.11272 ++ {0.0} {} {} 29.40248 0.54946 1.56269 ++ {0.0} {} 0.0 0.1707 0 {} 0 0 0 68 {} 4.31204 0.05052 0.00985 ++ {0.0} {} {} 29.31595 0.68033 0.16095 ++ {0.0} {} 0.0 0.0689 0 {} 0 0 0 69 {} 2.31209 0.04734 0.06763 ++ {0.0} {} {} 29.25481 1.36850 1.95501 ++ {0.0} {} 0.0 0.1333 0 {} 0 0 0 70 {} 2.10191 0.20260 0.43882 ++ {0.0} {} {} 29.28082 1.72259 2.46085 ++ {0.0} {} 0.0 0.9163 0 {} 0 0 0 71 {} 1.75653 0.04128 0.08880 ++ {0.0} {} {} 29.16287 1.14840 1.64056 ++ {0.0} {} 0.0 0.1261 0 {} 0 0 0 72 {} 1.24277 0.07638 0.03818 ++ {0.0} {} {} 29.22876 0.93557 0.42000 ++ {0.0} {} 0.0 0.0780 0 {} 0 0 0 73 {} 2.36642 0.04953 0.07476 ++ {0.0} {} {} 28.40453 0.47696 0.81600 ++ {0.0} {} 0.0 0.1006 0 {} 0 0 0 74 {} 2.91601 0.06256 0.03964 ++ {0.0} {} {} 28.00478 0.76902 0.52847 ++ {0.0} {} 0.0 0.0890 0 {} 0 0 0 75 {} 1.99127 0.07456 0.20290 ++ {0.0} {} {} 27.36081 0.96838 1.38341 ++ {0.0} {} 0.0 0.5336 0 {} 0 0 0 76 {} 1.77397 0.07891 0.11272 ++ {0.0} {} {} 27.28575 1.08336 1.54765 ++ {0.0} {} 0.0 0.5897 0 {} 0 0 0 77 {} 1.60652 0.12476 0.33817 ++ {0.0} {} {} 27.21725 0.99819 1.42599 ++ {0.0} {} 0.0 1.3601 0 {} 0 0 0 78 {} 1.41789 0.04781 0.08685 ++ {0.0} {} {} 26.98628 1.10349 0.89277 ++ {0.0} {} 0.0 0.1044 0 {} 0 0 0 79 {} 0.90598 0.04493 0.04903 ++ {0.0} {} {} 24.99670 0.79114 0.84134 ++ {0.0} {} 0.0 0.1462 0 {} 0 0 0 80 {} 0.36462 0.04534 0.09414 ++ {0.0} {} {} 24.22674 0.80570 1.30490 ++ {0.0} {} 0.0 0.5975 0 {} 0 0 0 81 {} 0.70858 0.04261 0.08808 ++ {0.0} {} {} 23.79877 0.76944 1.28412 ++ {0.0} {} 0.0 0.6119 0 {} 0 0 0 82 {} 0.85130 0.04254 0.05618 ++ {0.0} {} {} 23.47790 0.76462 0.93080 ++ {0.0} {} 0.0 0.1997 0 {} 0 0 0 83 {} 0.94466 0.04484 0.13161 ++ {0.0} {} {} 17.33857 0.81684 1.37031 ++ {0.0} {} 0.0 0.6657 0 {} 0 0 0 84 {} 2.08478 0.02699 0.07030 ++ {0.0} {} {} 17.01203 0.44492 0.89252 ++ {0.0} {} 0.0 2.4601 0 {} 0 0 0 85 {} 0.86994 0.04464 0.10754 ++ {0.0} {} {} 13.21970 0.77572 1.30932 ++ {0.0} {} 0.0 0.7001 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 . . 8409.61328125 Hz . . . 4.796000000381 . . 30870 2 2 . . H 1 H . . 8798.94433594 Hz . . . 4.796000000381 . . 30870 2 3 . . C 13 C . aliased 4828.00195312 Hz . . . 67.1470031738 . . 30870 2 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_3 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_3 _Spectral_peak_list.Entry_ID 30870 _Spectral_peak_list.ID 3 _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 4 _Spectral_peak_list.Experiment_name '3D HNCO' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _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 ; Accessed via the Ponderosa Web client. Automatic NOE assignments via CYANA. Structure calculation and refinement via simulated annealing carried out using X-PLOR NIH. ; _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; label dataset sw sf 1H C13 20191121_JR21_800_aromatic_gChsqc.nv 5580.35693359 6034.48681641 799.963989258 201.156997681 1H.L 1H.P 1H.W 1H.B 1H.E 1H.J 1H.U C13.L C13.P C13.W C13.B C13.E C13.J C13.U vol int stat comment flag0 flag8 flag9 0 {} 7.13900 0.02864 0.07119 ++ {0.0} {} {} 133.30313 0.37440 0.83335 ++ {0.0} {} 0.0 0.3370 0 {} 0 0 0 1 {} 7.09299 0.02889 0.06369 ++ {0.0} {} {} 133.49507 0.48648 0.99323 ++ {0.0} {} 0.0 0.2024 0 {} 0 0 0 2 {} 6.78258 0.02550 0.12215 ++ {0.0} {} {} 118.23631 0.34181 0.67361 ++ {0.0} {} 0.0 0.4740 0 {} 0 0 0 3 {} 6.63231 0.02671 0.22855 ++ {0.0} {} {} 118.03899 0.29213 0.65450 ++ {0.0} {} 0.0 0.1999 0 {} 0 0 0 4 {} 6.33454 0.02993 0.04590 ++ {0.0} {} {} 118.21886 0.37441 0.51207 ++ {0.0} {} 0.0 0.0131 0 {} 0 0 0 5 {} 7.23085 0.02008 0.02401 ++ {0.0} {} {} 118.25819 0.30106 0.38139 ++ {0.0} {} 0.0 0.0097 0 {} 0 0 0 6 {} 7.50718 0.03709 0.04056 ++ {0.0} {} {} 133.31856 0.41518 0.44609 ++ {0.0} {} 0.0 0.0075 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 HN . . 2404.53930664 Hz . . . 4.78299999237 . . 30870 3 2 . . C 13 CO . . 3770.10009766 Hz . . . 174.069000244 . . 30870 3 3 . . N 15 N . . 1800 Hz . . . 120.15599823 . . 30870 3 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_4 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_4 _Spectral_peak_list.Entry_ID 30870 _Spectral_peak_list.ID 4 _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 8 _Spectral_peak_list.Experiment_name '3D H(CCO)NH' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _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 hn_co_S.nv 2404.53930664 3770.10009766 1800.0 599.607971191 150.79699707 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 {} 7.91299 0.03277 0.08745 ++ {0.0} {} {} 175.50726 0.53715 1.49945 ++ {0.0} {} {} 127.49722 0.71411 1.73431 ++ {0.0} {} 0.0 9.1023 0 {} 0 0 0 1 {} 8.36836 0.03777 0.03898 ++ {0.0} {} {} 175.93874 0.45201 0.47298 ++ {0.0} {} {} 124.18499 0.55343 0.57911 ++ {0.0} {} 0.0 0.2607 0 {} 0 0 0 2 {} 8.73657 0.04094 0.01597 ++ {0.0} {} {} 175.94714 0.60486 0.16147 ++ {0.0} {} {} 123.77786 0.67277 0.17960 ++ {0.0} {} 0.0 0.1434 0 {} 0 0 0 3 {} 8.42379 0.04146 0.09711 ++ {0.0} {} {} 175.88951 0.51873 1.10952 ++ {0.0} {} {} 122.99398 0.73740 1.62329 ++ {0.0} {} 0.0 1.2082 0 {} 0 0 0 4 {} 7.96260 0.03954 0.08890 ++ {0.0} {} {} 178.66452 0.57506 1.37326 ++ {0.0} {} {} 122.46796 0.77073 1.54315 ++ {0.0} {} 0.0 1.5366 0 {} 0 0 0 5 {} 8.38917 0.03958 0.10452 ++ {0.0} {} {} 178.24799 0.51006 1.08434 ++ {0.0} {} {} 121.96024 0.76101 1.59528 ++ {0.0} {} 0.0 1.4076 0 {} 0 0 0 6 {} 8.28731 0.03525 0.12367 ++ {0.0} {} {} 176.44026 0.67467 1.46950 ++ {0.0} {} {} 121.94908 0.74549 1.75440 ++ {0.0} {} 0.0 4.6759 0 {} 0 0 0 7 {} 8.06750 0.03997 0.09504 ++ {0.0} {} {} 178.30931 0.62755 1.39016 ++ {0.0} {} {} 121.37483 0.56361 1.04840 ++ {0.0} {} 0.0 1.3640 0 {} 0 0 0 8 {} 8.33917 0.04067 0.09372 ++ {0.0} {} {} 178.07710 0.57420 1.42764 ++ {0.0} {} {} 121.50748 0.74516 1.53469 ++ {0.0} {} 0.0 1.4921 0 {} 0 0 0 9 {} 8.22138 0.03504 0.08413 ++ {0.0} {} {} 178.82233 0.62444 1.42117 ++ {0.0} {} {} 121.15257 0.66990 1.48331 ++ {0.0} {} 0.0 1.5615 0 {} 0 0 0 10 {} 8.48844 0.05106 0.11272 ++ {0.0} {} {} 176.89342 0.66450 0.94929 ++ {0.0} {} {} 121.17480 0.69284 1.67311 ++ {0.0} {} 0.0 2.2645 0 {} 0 0 0 11 {} 8.40036 0.03682 0.05260 ++ {0.0} {} {} 176.62132 0.51391 1.48895 ++ {0.0} {} {} 120.98736 0.78759 1.88021 ++ {0.0} {} 0.0 4.1241 0 {} 0 0 0 12 {} 8.35413 0.04734 0.06763 ++ {0.0} {} {} 176.45628 0.68445 1.53241 ++ {0.0} {} {} 121.21497 0.68720 2.48316 ++ {0.0} {} 0.0 5.7208 0 {} 0 0 0 13 {} 8.64150 0.05119 0.02904 ++ {0.0} {} {} 176.04126 0.75242 0.34461 ++ {0.0} {} {} 121.04033 0.89586 0.41030 ++ {0.0} {} 0.0 0.1612 0 {} 0 0 0 14 {} 8.11093 0.04260 0.09884 ++ {0.0} {} {} 175.18857 0.64634 1.44168 ++ {0.0} {} {} 121.06133 0.77825 1.60715 ++ {0.0} {} 0.0 1.4070 0 {} 0 0 0 15 {} 8.68062 0.03802 0.09530 ++ {0.0} {} {} 178.58183 0.51448 1.28187 ++ {0.0} {} {} 120.76553 0.60635 1.49955 ++ {0.0} {} 0.0 1.8366 0 {} 0 0 0 16 {} 8.52866 0.03641 0.08501 ++ {0.0} {} {} 178.90567 0.53990 1.39772 ++ {0.0} {} {} 120.61412 0.77050 1.55830 ++ {0.0} {} 0.0 1.7674 0 {} 0 0 0 17 {} 7.75674 0.03724 0.08500 ++ {0.0} {} {} 177.50305 0.58709 1.37692 ++ {0.0} {} {} 120.75878 0.59883 1.32874 ++ {0.0} {} 0.0 1.4416 0 {} 0 0 0 18 {} 8.07803 0.04007 0.12291 ++ {0.0} {} {} 177.15025 0.68684 1.46922 ++ {0.0} {} {} 120.82878 0.60882 1.47934 ++ {0.0} {} 0.0 1.4418 0 {} 0 0 0 19 {} 8.52093 0.04430 0.14381 ++ {0.0} {} {} 176.37794 0.78557 1.48262 ++ {0.0} {} {} 120.77767 0.64234 1.57234 ++ {0.0} {} 0.0 1.5720 0 {} 0 0 0 20 {} 8.26909 0.03333 0.08266 ++ {0.0} {} {} 176.03313 0.71025 1.49519 ++ {0.0} {} {} 120.76394 0.64986 1.90825 ++ {0.0} {} 0.0 5.7740 0 {} 0 0 0 21 {} 8.24828 0.04785 0.09827 ++ {0.0} {} {} 174.03914 0.68382 1.31932 ++ {0.0} {} {} 120.62963 0.79403 1.48371 ++ {0.0} {} 0.0 0.9663 0 {} 0 0 0 22 {} 8.16526 0.03930 0.08322 ++ {0.0} {} {} 177.91995 0.65430 1.40389 ++ {0.0} {} {} 120.25196 0.64804 1.47832 ++ {0.0} {} 0.0 1.2988 0 {} 0 0 0 23 {} 7.97328 0.03616 0.08016 ++ {0.0} {} {} 177.33147 0.54147 1.43069 ++ {0.0} {} {} 120.28441 0.63236 1.62789 ++ {0.0} {} 0.0 2.1532 0 {} 0 0 0 24 {} 8.20858 0.03271 0.08266 ++ {0.0} {} {} 175.98466 0.66223 1.49304 ++ {0.0} {} {} 120.09126 0.81912 1.86885 ++ {0.0} {} 0.0 5.6669 0 {} 0 0 0 25 {} 7.88615 0.03583 0.07425 ++ {0.0} {} {} 179.15985 0.70307 1.37179 ++ {0.0} {} {} 119.49616 0.54750 1.01126 ++ {0.0} {} 0.0 1.6253 0 {} 0 0 0 26 {} 7.99723 0.03433 0.08777 ++ {0.0} {} {} 178.75244 0.73665 1.49178 ++ {0.0} {} {} 119.86285 0.70744 1.76665 ++ {0.0} {} 0.0 2.7800 0 {} 0 0 0 27 {} 7.70047 0.03940 0.07178 ++ {0.0} {} {} 178.60724 0.52986 1.03440 ++ {0.0} {} {} 119.85561 0.56919 0.97402 ++ {0.0} {} 0.0 0.8608 0 {} 0 0 0 28 {} 8.35192 0.03697 0.10444 ++ {0.0} {} {} 176.06819 0.64047 1.43185 ++ {0.0} {} {} 119.83904 0.61617 1.53516 ++ {0.0} {} 0.0 2.2384 0 {} 0 0 0 29 {} 8.10166 0.03785 0.08020 ++ {0.0} {} {} 179.27768 0.54856 1.38961 ++ {0.0} {} {} 119.19500 0.75325 1.58144 ++ {0.0} {} 0.0 1.6981 0 {} 0 0 0 30 {} 8.20243 0.04072 0.08429 ++ {0.0} {} {} 178.81062 0.64111 1.41438 ++ {0.0} {} {} 119.09972 0.60605 1.28960 ++ {0.0} {} 0.0 1.5380 0 {} 0 0 0 31 {} 8.32123 0.04438 0.15777 ++ {0.0} {} {} 178.39827 0.72474 1.49877 ++ {0.0} {} {} 119.07722 0.83520 1.94956 ++ {0.0} {} 0.0 2.2568 0 {} 0 0 0 32 {} 8.52450 0.03883 0.03675 ++ {0.0} {} {} 177.74579 0.60510 0.56543 ++ {0.0} {} {} 119.10821 0.64705 0.60463 ++ {0.0} {} 0.0 0.2333 0 {} 0 0 0 33 {} 7.85725 0.03850 0.07514 ++ {0.0} {} {} 177.31294 0.55583 1.35381 ++ {0.0} {} {} 119.24133 0.77410 1.54507 ++ {0.0} {} 0.0 1.5004 0 {} 0 0 0 34 {} 8.17862 0.03364 0.07213 ++ {0.0} {} {} 176.01607 0.70578 1.47545 ++ {0.0} {} {} 119.44386 0.59526 1.66512 ++ {0.0} {} 0.0 4.2855 0 {} 0 0 0 35 {} 8.41650 0.03601 0.07030 ++ {0.0} {} {} 176.37968 0.68115 1.41686 ++ {0.0} {} {} 118.78327 0.76588 1.61452 ++ {0.0} {} 0.0 1.7126 0 {} 0 0 0 36 {} 8.15824 0.03690 0.07123 ++ {0.0} {} {} 179.57521 0.68729 1.41906 ++ {0.0} {} {} 118.39787 0.81529 1.52740 ++ {0.0} {} 0.0 1.3670 0 {} 0 0 0 37 {} 8.05017 0.03768 0.08198 ++ {0.0} {} {} 178.67419 0.58600 1.30679 ++ {0.0} {} {} 118.12244 0.53784 0.96315 ++ {0.0} {} 0.0 1.1881 0 {} 0 0 0 38 {} 7.86833 0.03897 0.08412 ++ {0.0} {} {} 178.38669 0.70752 1.37283 ++ {0.0} {} {} 118.46640 0.58528 1.32693 ++ {0.0} {} 0.0 1.6335 0 {} 0 0 0 39 {} 8.19110 0.04981 0.08768 ++ {0.0} {} {} 174.53932 0.57631 1.06650 ++ {0.0} {} {} 118.28340 0.78707 1.36424 ++ {0.0} {} 0.0 0.6977 0 {} 0 0 0 40 {} 8.51723 0.03891 0.10890 ++ {0.0} {} {} 178.89629 0.53946 1.35717 ++ {0.0} {} {} 117.81016 0.75545 1.54867 ++ {0.0} {} 0.0 1.5746 0 {} 0 0 0 41 {} 7.62933 0.04063 0.09257 ++ {0.0} {} {} 177.52493 0.65291 1.36491 ++ {0.0} {} {} 117.80759 0.73819 1.50785 ++ {0.0} {} 0.0 1.3891 0 {} 0 0 0 42 {} 7.66795 0.03970 0.08219 ++ {0.0} {} {} 176.97318 0.56253 1.23169 ++ {0.0} {} {} 117.89715 0.70368 1.43942 ++ {0.0} {} 0.0 0.9761 0 {} 0 0 0 43 {} 8.40458 0.03661 0.07731 ++ {0.0} {} {} 179.11687 0.69995 1.36965 ++ {0.0} {} {} 116.74030 0.55015 0.98714 ++ {0.0} {} 0.0 1.2084 0 {} 0 0 0 44 {} 8.21577 0.03684 0.08964 ++ {0.0} {} {} 177.60416 0.71197 1.36441 ++ {0.0} {} {} 115.46047 0.67982 1.47341 ++ {0.0} {} 0.0 1.2894 0 {} 0 0 0 45 {} 7.73375 0.02925 0.01829 ++ {0.0} {} {} 177.18071 0.72258 0.37186 ++ {0.0} {} {} 113.14332 0.60964 0.31374 ++ {0.0} {} 0.0 0.1673 0 {} 0 0 0 46 {} 6.96376 0.02846 0.00346 ++ {0.0} {} {} 177.15845 0.69035 0.06517 ++ {0.0} {} {} 113.10011 0.53335 0.05035 ++ {0.0} {} 0.0 0.1304 0 {} 0 0 0 47 {} 7.58132 0.03048 0.03201 ++ {0.0} {} {} 180.32443 0.84906 0.88602 ++ {0.0} {} {} 111.78995 0.76323 0.79712 ++ {0.0} {} 0.0 0.2601 0 {} 0 0 0 48 {} 6.87368 0.03997 0.04920 ++ {0.0} {} {} 180.31940 0.73569 0.91921 ++ {0.0} {} {} 111.72694 0.65317 0.80601 ++ {0.0} {} 0.0 0.3245 0 {} 0 0 0 49 {} 7.63461 0.02531 0.01653 ++ {0.0} {} {} 179.88087 0.67394 0.39486 ++ {0.0} {} {} 111.29666 0.60369 0.35370 ++ {0.0} {} 0.0 0.1758 0 {} 0 0 0 50 {} 7.48032 0.03535 0.02933 ++ {0.0} {} {} 180.03186 0.60507 0.47094 ++ {0.0} {} {} 111.49371 0.64456 0.50168 ++ {0.0} {} 0.0 0.2035 0 {} 0 0 0 51 {} 8.56151 0.05646 0.08125 ++ {0.0} {} {} 176.71461 0.57218 0.81001 ++ {0.0} {} {} 110.78450 0.61272 0.86739 ++ {0.0} {} 0.0 0.4254 0 {} 0 0 0 52 {} 7.37478 0.03221 0.02266 ++ {0.0} {} {} 179.93999 1.00359 0.71473 ++ {0.0} {} {} 110.49453 0.65592 0.41663 ++ {0.0} {} 0.0 0.1821 0 {} 0 0 0 53 {} 6.77260 0.03744 0.00578 ++ {0.0} {} {} 180.07739 0.61914 0.04764 ++ {0.0} {} {} 110.44508 0.76528 0.05888 ++ {0.0} {} 0.0 0.1293 0 {} 0 0 0 54 {} 6.68061 0.03424 0.01627 ++ {0.0} {} {} 179.51781 0.79961 0.28452 ++ {0.0} {} {} 110.27115 0.47434 0.16878 ++ {0.0} {} 0.0 0.1512 0 {} 0 0 0 55 {} 8.42824 0.05176 0.07488 ++ {0.0} {} {} 176.35744 0.63564 0.93040 ++ {0.0} {} {} 109.46718 0.73461 1.05271 ++ {0.0} {} 0.0 0.4224 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 HN . . 240453930664 Hz . . . 4.78299999237 . . 30870 4 2 . . H 1 H-aliphatic . . 6595.65917969 Hz . . . 4.78299999237 . . 30870 4 3 . . N 15 N . . 1800 Hz . . . 120.15599823 . . 30870 4 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_5 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_5 _Spectral_peak_list.Entry_ID 30870 _Spectral_peak_list.ID 5 _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 6 _Spectral_peak_list.Experiment_name '3D C(CO)NH' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _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 ; Accessed via the Ponderosa Web client. Lee W, Stark JL, Markley JL. (2014) PONDEROSA-C/S: Client-server based software package for automated protein 3D structure determination. Journal of Biomolecular NMR 60(2-3):73-5. ; _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; label dataset sw sf H1 N15 HSQC-2.nv 4194.63085937 1800.0 599.607971191 60.7649993896 H1.L H1.P H1.W H1.B H1.E H1.J H1.U N15.L N15.P N15.W N15.B N15.E N15.J N15.U vol int stat comment flag0 flag8 flag9 0 {} 8.06063 0.03877 0.02081 ++ {0.0} {} {} 127.50385 0.18765 0.08157 ++ {0.0} {} 0.0 0.0126 0 {} 0 0 0 1 {} 7.74828 0.04331 0.02512 ++ {0.0} {} {} 127.49986 0.17834 0.09576 ++ {0.0} {} 0.0 0.0134 0 {} 0 0 0 2 {} 7.90423 0.03103 0.07438 ++ {0.0} {} {} 127.49216 0.16714 0.47762 ++ {0.0} {} 0.0 0.6298 0 {} 0 0 0 3 {} 8.35531 0.03860 0.05416 ++ {0.0} {} {} 124.15162 0.27503 0.40732 ++ {0.0} {} 0.0 0.0308 0 {} 0 0 0 4 {} 8.72759 0.04292 0.03934 ++ {0.0} {} {} 123.76434 0.26251 0.23524 ++ {0.0} {} 0.0 0.0180 0 {} 0 0 0 5 {} 8.41375 0.04599 0.16876 ++ {0.0} {} {} 123.04209 0.31655 0.88416 ++ {0.0} {} 0.0 0.1654 0 {} 0 0 0 6 {} 8.27362 0.06147 0.00002 ++ {0.0} {} {} 122.93600 0.54339 0.00027 ++ {0.0} {} 0.0 0.0098 0 {} 0 0 0 7 {} 8.23598 0.05877 0.03735 ++ {0.0} {} {} 122.69470 0.29248 0.36777 ++ {0.0} {} 0.0 0.0143 0 {} 0 0 0 8 {} 8.10944 0.05786 0.08266 ++ {0.0} {} {} 122.43008 0.21186 0.02767 ++ {0.0} {} 0.0 0.0100 0 {} 0 0 0 9 {} 7.95395 0.04261 0.16349 ++ {0.0} {} {} 122.48338 0.25664 0.96711 ++ {0.0} {} 0.0 0.2369 0 {} 0 0 0 10 {} 8.65635 0.10957 0.04168 ++ {0.0} {} {} 122.36531 0.52886 0.20341 ++ {0.0} {} 0.0 0.0117 0 {} 0 0 0 11 {} 8.38065 0.04571 0.12775 ++ {0.0} {} {} 121.97588 0.33281 1.14555 ++ {0.0} {} 0.0 0.2507 0 {} 0 0 0 12 {} 8.27815 0.03708 0.05453 ++ {0.0} {} {} 121.96585 0.22152 1.20045 ++ {0.0} {} 0.0 0.4120 0 {} 0 0 0 13 {} 8.12004 0.07891 0.11272 ++ {0.0} {} {} 121.96201 0.22829 0.35851 ++ {0.0} {} 0.0 0.0168 0 {} 0 0 0 14 {} 8.34405 0.03819 0.18787 ++ {0.0} {} {} 121.29369 0.36449 2.67295 ++ {0.0} {} 0.0 0.5624 0 {} 0 0 0 15 {} 8.05847 0.04839 0.24799 ++ {0.0} {} {} 121.35922 0.29667 0.63642 ++ {0.0} {} 0.0 0.2188 0 {} 0 0 0 16 {} 8.47943 0.04730 0.12775 ++ {0.0} {} {} 121.20988 0.31432 1.99732 ++ {0.0} {} 0.0 0.2540 0 {} 0 0 0 17 {} 8.21146 0.04201 0.17079 ++ {0.0} {} {} 121.19164 0.31414 0.89098 ++ {0.0} {} 0.0 0.2715 0 {} 0 0 0 18 {} 4.80472 0.03158 0.01083 ++ {0.0} {} {} 121.16928 0.17885 0.12977 ++ {0.0} {} 0.0 0.0115 0 {} 0 0 0 19 {} 8.38783 0.04404 0.21861 ++ {0.0} {} {} 121.00842 0.23233 0.89098 ++ {0.0} {} 0.0 0.5691 0 {} 0 0 0 20 {} 8.67092 0.03882 0.18971 ++ {0.0} {} {} 120.81464 0.28629 0.83459 ++ {0.0} {} 0.0 0.2812 0 {} 0 0 0 21 {} 8.25889 0.03809 0.19812 ++ {0.0} {} {} 120.80778 0.23940 1.90925 ++ {0.0} {} 0.0 0.5666 0 {} 0 0 0 22 {} 8.06830 0.04861 0.32314 ++ {0.0} {} {} 120.87042 0.34230 0.89098 ++ {0.0} {} 0.0 0.2609 0 {} 0 0 0 23 {} 7.90740 0.04734 0.06763 ++ {0.0} {} {} 120.83730 0.41886 0.59838 ++ {0.0} {} 0.0 0.0206 0 {} 0 0 0 24 {} 7.74708 0.03828 0.21494 ++ {0.0} {} {} 120.80537 0.23300 1.06591 ++ {0.0} {} 0.0 0.2332 0 {} 0 0 0 25 {} 7.59442 0.03972 0.01839 ++ {0.0} {} {} 120.79714 0.48818 0.03729 ++ {0.0} {} 0.0 0.0103 0 {} 0 0 0 26 {} 4.79976 0.03153 0.01547 ++ {0.0} {} {} 120.85519 0.68303 0.28439 ++ {0.0} {} 0.0 0.0115 0 {} 0 0 0 27 {} 8.51807 0.04162 0.23228 ++ {0.0} {} {} 120.66440 0.25424 0.88364 ++ {0.0} {} 0.0 0.3108 0 {} 0 0 0 28 {} 8.14745 0.04033 0.15781 ++ {0.0} {} {} 120.57969 0.50836 2.16382 ++ {0.0} {} 0.0 0.3695 0 {} 0 0 0 29 {} 8.38124 0.04132 0.23911 ++ {0.0} {} {} 120.38049 0.32798 0.89098 ++ {0.0} {} 0.0 0.2364 0 {} 0 0 0 30 {} 7.96730 0.04289 0.33817 ++ {0.0} {} {} 120.29766 0.23232 0.89098 ++ {0.0} {} 0.0 0.4749 0 {} 0 0 0 31 {} 7.80994 0.06838 0.09769 ++ {0.0} {} {} 120.25742 0.44137 0.62935 ++ {0.0} {} 0.0 0.0217 0 {} 0 0 0 32 {} 8.19790 0.03901 0.33817 ++ {0.0} {} {} 120.14133 0.29246 1.14555 ++ {0.0} {} 0.0 0.5296 0 {} 0 0 0 33 {} 8.34057 0.04441 0.21646 ++ {0.0} {} {} 119.88524 0.29215 1.50426 ++ {0.0} {} 0.0 0.2305 0 {} 0 0 0 34 {} 7.68980 0.04228 0.20506 ++ {0.0} {} {} 119.89322 0.26699 1.12707 ++ {0.0} {} 0.0 0.1926 0 {} 0 0 0 35 {} 7.98805 0.04052 0.21793 ++ {0.0} {} {} 119.74573 0.21688 0.63642 ++ {0.0} {} 0.0 0.2726 0 {} 0 0 0 36 {} 8.09872 0.05786 0.08266 ++ {0.0} {} {} 119.65813 0.20575 0.57856 ++ {0.0} {} 0.0 0.0610 0 {} 0 0 0 37 {} 8.29506 0.05505 0.18787 ++ {0.0} {} {} 119.62405 0.36453 0.89098 ++ {0.0} {} 0.0 0.1778 0 {} 0 0 0 38 {} 8.16790 0.03824 0.17284 ++ {0.0} {} {} 119.44823 0.30689 1.14555 ++ {0.0} {} 0.0 0.4499 0 {} 0 0 0 39 {} 7.87425 0.04845 0.26605 ++ {0.0} {} {} 119.46825 0.35149 1.65468 ++ {0.0} {} 0.0 0.2751 0 {} 0 0 0 40 {} 8.26533 0.06240 0.11272 ++ {0.0} {} {} 119.28322 0.56434 1.42685 ++ {0.0} {} 0.0 0.1347 0 {} 0 0 0 41 {} 8.09176 0.04212 0.12775 ++ {0.0} {} {} 119.19824 0.30110 1.23435 ++ {0.0} {} 0.0 0.2647 0 {} 0 0 0 42 {} 8.51189 0.05047 0.07055 ++ {0.0} {} {} 119.07352 0.36282 0.47238 ++ {0.0} {} 0.0 0.0301 0 {} 0 0 0 43 {} 8.31414 0.04137 0.15713 ++ {0.0} {} {} 118.97126 0.29306 0.89098 ++ {0.0} {} 0.0 0.2911 0 {} 0 0 0 44 {} 8.40491 0.03957 0.15781 ++ {0.0} {} {} 118.80324 0.21688 0.70615 ++ {0.0} {} 0.0 0.2266 0 {} 0 0 0 45 {} 7.85679 0.03663 0.20153 ++ {0.0} {} {} 118.51381 0.28633 0.84803 ++ {0.0} {} 0.0 0.2659 0 {} 0 0 0 46 {} 8.14899 0.04323 0.21793 ++ {0.0} {} {} 118.42760 0.30496 1.01379 ++ {0.0} {} 0.0 0.2509 0 {} 0 0 0 47 {} 8.03964 0.04122 0.12679 ++ {0.0} {} {} 118.11190 0.22491 0.74986 ++ {0.0} {} 0.0 0.2001 0 {} 0 0 0 48 {} 7.65460 0.07560 0.19777 ++ {0.0} {} {} 117.91907 0.33436 0.92015 ++ {0.0} {} 0.0 0.1844 0 {} 0 0 0 49 {} 8.50687 0.03876 0.15470 ++ {0.0} {} {} 117.82257 0.28828 0.75590 ++ {0.0} {} 0.0 0.2361 0 {} 0 0 0 50 {} 7.62124 0.04836 0.18952 ++ {0.0} {} {} 117.82745 0.30258 0.78135 ++ {0.0} {} 0.0 0.2409 0 {} 0 0 0 51 {} 8.15975 0.03983 0.11758 ++ {0.0} {} {} 117.29538 0.22619 0.75642 ++ {0.0} {} 0.0 0.1972 0 {} 0 0 0 52 {} 8.39626 0.03569 0.11102 ++ {0.0} {} {} 116.73984 0.21708 0.78466 ++ {0.0} {} 0.0 0.2183 0 {} 0 0 0 53 {} 8.20739 0.04413 0.11684 ++ {0.0} {} {} 115.44968 0.23354 0.68302 ++ {0.0} {} 0.0 0.1474 0 {} 0 0 0 54 {} 7.72069 0.02879 0.11990 ++ {0.0} {} {} 113.64132 0.22994 0.97526 ++ {0.0} {} 0.0 0.4271 0 {} 0 0 0 55 {} 7.64328 0.03072 0.00375 ++ {0.0} {} {} 113.64387 0.22805 0.01060 ++ {0.0} {} 0.0 0.0101 0 {} 0 0 0 56 {} 7.56488 0.05057 0.02346 ++ {0.0} {} {} 113.63391 0.11828 0.10903 ++ {0.0} {} 0.0 0.0125 0 {} 0 0 0 57 {} 7.33476 0.03886 0.02247 ++ {0.0} {} {} 113.64330 0.22484 0.09608 ++ {0.0} {} 0.0 0.0125 0 {} 0 0 0 58 {} 7.10282 0.02271 0.01681 ++ {0.0} {} {} 113.64927 0.24268 0.04031 ++ {0.0} {} 0.0 0.0107 0 {} 0 0 0 59 {} 6.94928 0.03561 0.10364 ++ {0.0} {} {} 113.64254 0.23426 1.24773 ++ {0.0} {} 0.0 0.4524 0 {} 0 0 0 60 {} 6.87114 0.03540 0.03248 ++ {0.0} {} {} 113.63913 0.14740 0.14381 ++ {0.0} {} 0.0 0.0129 0 {} 0 0 0 61 {} 6.79578 0.02343 0.00084 ++ {0.0} {} {} 113.64590 0.21733 0.00179 ++ {0.0} {} 0.0 0.0099 0 {} 0 0 0 62 {} 6.95245 0.03688 0.05071 ++ {0.0} {} {} 113.12427 0.44549 0.63642 ++ {0.0} {} 0.0 0.0301 0 {} 0 0 0 63 {} 7.70365 0.03682 0.05260 ++ {0.0} {} {} 112.36411 0.18208 0.17641 ++ {0.0} {} 0.0 0.0133 0 {} 0 0 0 64 {} 7.56629 0.04167 0.36468 ++ {0.0} {} {} 112.35984 0.29770 0.89098 ++ {0.0} {} 0.0 0.7679 0 {} 0 0 0 65 {} 6.86497 0.05244 0.32109 ++ {0.0} {} {} 112.33802 0.35591 1.14555 ++ {0.0} {} 0.0 0.9496 0 {} 0 0 0 66 {} 7.24854 0.05786 0.08266 ++ {0.0} {} {} 112.31316 0.47822 0.48185 ++ {0.0} {} 0.0 0.0200 0 {} 0 0 0 67 {} 7.04137 0.03628 0.05912 ++ {0.0} {} {} 112.29865 0.28089 1.16447 ++ {0.0} {} 0.0 0.3297 0 {} 0 0 0 68 {} 6.66350 0.03688 0.21201 ++ {0.0} {} {} 112.29916 0.28340 1.26612 ++ {0.0} {} 0.0 0.3401 0 {} 0 0 0 69 {} 6.58291 0.03682 0.05260 ++ {0.0} {} {} 112.27936 0.20146 0.17935 ++ {0.0} {} 0.0 0.0112 0 {} 0 0 0 70 {} 6.50439 0.04684 0.09975 ++ {0.0} {} {} 112.32176 0.41598 0.33870 ++ {0.0} {} 0.0 0.0181 0 {} 0 0 0 71 {} 7.46992 0.03910 0.09769 ++ {0.0} {} {} 112.04077 0.34013 1.14555 ++ {0.0} {} 0.0 0.6293 0 {} 0 0 0 72 {} 7.31192 0.03129 0.07140 ++ {0.0} {} {} 112.05326 0.47832 0.49211 ++ {0.0} {} 0.0 0.0204 0 {} 0 0 0 73 {} 6.74177 0.03644 0.11272 ++ {0.0} {} {} 111.97758 0.20915 1.40012 ++ {0.0} {} 0.0 0.3366 0 {} 0 0 0 74 {} 7.55947 0.04342 0.08266 ++ {0.0} {} {} 111.85032 0.44549 0.63642 ++ {0.0} {} 0.0 0.2971 0 {} 0 0 0 75 {} 6.86719 0.05065 0.11272 ++ {0.0} {} {} 111.84547 0.40499 0.57856 ++ {0.0} {} 0.0 0.4239 0 {} 0 0 0 76 {} 7.62307 0.03244 0.09769 ++ {0.0} {} {} 111.74531 0.19690 1.44957 ++ {0.0} {} 0.0 0.4073 0 {} 0 0 0 77 {} 6.80226 0.03994 0.08266 ++ {0.0} {} {} 111.73741 0.20592 1.14555 ++ {0.0} {} 0.0 0.3627 0 {} 0 0 0 78 {} 7.45094 0.03513 0.15781 ++ {0.0} {} {} 111.37031 0.29170 0.89098 ++ {0.0} {} 0.0 0.3466 0 {} 0 0 0 79 {} 6.85283 0.03888 0.24770 ++ {0.0} {} {} 111.37148 0.41301 0.57856 ++ {0.0} {} 0.0 0.3685 0 {} 0 0 0 80 {} 7.13831 0.05041 0.02233 ++ {0.0} {} {} 111.06985 0.23166 0.08153 ++ {0.0} {} 0.0 0.0119 0 {} 0 0 0 81 {} 6.75594 0.03210 0.13663 ++ {0.0} {} {} 111.08420 0.27814 0.89098 ++ {0.0} {} 0.0 0.4438 0 {} 0 0 0 82 {} 7.75612 0.04090 0.00028 ++ {0.0} {} {} 111.00530 0.31576 0.00168 ++ {0.0} {} 0.0 0.0099 0 {} 0 0 0 83 {} 7.36405 0.03773 0.19025 ++ {0.0} {} {} 111.02717 0.27013 1.64795 ++ {0.0} {} 0.0 0.6619 0 {} 0 0 0 84 {} 7.21087 0.02646 0.04326 ++ {0.0} {} {} 111.02489 0.28414 0.18878 ++ {0.0} {} 0.0 0.0148 0 {} 0 0 0 85 {} 6.98170 0.05524 0.07892 ++ {0.0} {} {} 111.02464 0.34662 0.33747 ++ {0.0} {} 0.0 0.0193 0 {} 0 0 0 86 {} 6.84636 0.03428 0.11272 ++ {0.0} {} {} 110.97202 0.24704 0.63642 ++ {0.0} {} 0.0 0.3543 0 {} 0 0 0 87 {} 6.51700 0.06838 0.09769 ++ {0.0} {} {} 110.99273 0.39158 0.07900 ++ {0.0} {} 0.0 0.0109 0 {} 0 0 0 88 {} 7.85063 0.02928 0.08842 ++ {0.0} {} {} 110.93407 0.27850 1.15635 ++ {0.0} {} 0.0 0.3030 0 {} 0 0 0 89 {} 8.55341 0.06245 0.10405 ++ {0.0} {} {} 110.77051 0.37096 0.59979 ++ {0.0} {} 0.0 0.0439 0 {} 0 0 0 90 {} 6.67267 0.03915 0.14470 ++ {0.0} {} {} 110.79045 0.45461 1.73771 ++ {0.0} {} 0.0 0.3211 0 {} 0 0 0 91 {} 6.77528 0.04111 0.12775 ++ {0.0} {} {} 110.69392 0.30264 0.63642 ++ {0.0} {} 0.0 0.2607 0 {} 0 0 0 92 {} 8.42232 0.06109 0.11162 ++ {0.0} {} {} 109.47095 0.35007 0.61376 ++ {0.0} {} 0.0 0.0466 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 HN . . 2404.53930664 Hz . . . 4.78299999237 . . 30870 5 2 . . C 13 C-aliphatic . . 9649.31054687 Hz . . . 46.0750007629 . . 30870 5 3 . . N 15 N . . 1800 Hz . . . 120.15599823 . . 30870 5 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_6 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_6 _Spectral_peak_list.Entry_ID 30870 _Spectral_peak_list.ID 6 _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 7 _Spectral_peak_list.Experiment_name '3D CBCA(CO)NH' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _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 ; Accessed via the Ponderosa Web client. Lee W, Stark JL, Markley JL. (2014) PONDEROSA-C/S: Client-server based software package for automated protein 3D structure determination. Journal of Biomolecular NMR 60(2-3):73-5. ; _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; label dataset sw sf HN H1y N15 20191121_JR21_mother_noesy_N.nv 3212.22216797 8798.94433594 2399.65991211 799.963989258 799.963989258 81.0690002441 HN.L HN.P HN.W HN.B HN.E HN.J HN.U H1y.L H1y.P H1y.W H1y.B H1y.E H1y.J H1y.U N15.L N15.P N15.W N15.B N15.E N15.J N15.U vol int stat comment flag0 flag8 flag9 0 {} 7.91982 0.02258 0.03774 ++ {0.0} {} {} 8.56950 0.10000 0.14285 ++ {0.0} {} {} 127.51604 0.61969 0.96881 ++ {0.0} {} 0.0 0.0931 0 {} 0 0 0 1 {} 7.91890 0.02131 0.03045 ++ {0.0} {} {} 7.91657 0.09825 0.28260 ++ {0.0} {} {} 127.51487 0.62258 0.98361 ++ {0.0} {} 0.0 17.1102 0 {} 0 0 0 2 {} 7.91901 0.02284 0.05158 ++ {0.0} {} {} 4.27950 0.20018 0.28597 ++ {0.0} {} {} 127.51891 0.71959 1.87326 ++ {0.0} {} 0.0 0.6392 0 {} 0 0 0 3 {} 7.91900 0.02552 0.05138 ++ {0.0} {} {} 1.69603 0.28873 0.41247 ++ {0.0} {} {} 127.51814 0.62420 1.14194 ++ {0.0} {} 0.0 0.2299 0 {} 0 0 0 4 {} 8.43255 0.03315 0.16896 ++ {0.0} {} {} 8.43625 0.14634 0.20906 ++ {0.0} {} {} 123.08945 0.46728 1.26375 ++ {0.0} {} 0.0 0.5381 0 {} 0 0 0 5 {} 8.43266 0.02813 0.08142 ++ {0.0} {} {} 4.26651 0.11157 0.28596 ++ {0.0} {} {} 123.09274 0.45664 1.16592 ++ {0.0} {} 0.0 0.3159 0 {} 0 0 0 6 {} 8.43284 0.02693 0.05591 ++ {0.0} {} {} 2.79066 0.21509 0.30727 ++ {0.0} {} {} 123.09379 0.44607 1.07293 ++ {0.0} {} 0.0 0.2293 0 {} 0 0 0 7 {} 8.43297 0.02600 0.03331 ++ {0.0} {} {} 2.11978 0.25016 0.35736 ++ {0.0} {} {} 123.07043 0.41745 0.54255 ++ {0.0} {} 0.0 0.0581 0 {} 0 0 0 8 {} 8.43320 0.02610 0.04018 ++ {0.0} {} {} 1.76365 0.21229 0.30327 ++ {0.0} {} {} 123.09686 0.44393 0.77756 ++ {0.0} {} 0.0 0.1031 0 {} 0 0 0 9 {} 7.96286 0.02989 0.07911 ++ {0.0} {} {} 8.51478 0.15006 0.25590 ++ {0.0} {} {} 122.55231 0.59315 1.18922 ++ {0.0} {} 0.0 0.3658 0 {} 0 0 0 10 {} 7.96297 0.02999 0.22152 ++ {0.0} {} {} 7.96216 0.14361 0.20515 ++ {0.0} {} {} 122.54845 0.58620 0.83743 ++ {0.0} {} 0.0 2.4542 0 {} 0 0 0 11 {} 7.96308 0.02929 0.06989 ++ {0.0} {} {} 4.31453 0.18324 0.26177 ++ {0.0} {} {} 122.55074 0.60289 1.19924 ++ {0.0} {} 0.0 0.3170 0 {} 0 0 0 12 {} 7.96332 0.03040 0.04050 ++ {0.0} {} {} 3.21166 0.17922 0.22878 ++ {0.0} {} {} 122.56474 0.69282 0.88466 ++ {0.0} {} 0.0 0.0608 0 {} 0 0 0 13 {} 7.96303 0.03047 0.05455 ++ {0.0} {} {} 2.81601 0.20435 0.29192 ++ {0.0} {} {} 122.54995 0.60895 1.05923 ++ {0.0} {} 0.0 0.1353 0 {} 0 0 0 14 {} 7.96288 0.03041 0.09799 ++ {0.0} {} {} 2.11440 0.21638 0.30912 ++ {0.0} {} {} 122.54978 0.59055 1.33281 ++ {0.0} {} 0.0 0.8602 0 {} 0 0 0 15 {} 8.28941 0.02751 0.06626 ++ {0.0} {} {} 8.29178 0.14349 0.26137 ++ {0.0} {} {} 121.96433 0.63832 1.00252 ++ {0.0} {} 0.0 4.4414 0 {} 0 0 0 16 {} 8.29204 0.02879 0.02684 ++ {0.0} {} {} 7.68370 0.06743 0.13455 ++ {0.0} {} {} 121.94300 0.68034 0.61691 ++ {0.0} {} 0.0 0.0372 0 {} 0 0 0 17 {} 8.28813 0.01716 0.04103 ++ {0.0} {} {} 4.29373 0.11528 0.16468 ++ {0.0} {} {} 121.96365 0.63890 1.53109 ++ {0.0} {} 0.0 0.6565 0 {} 0 0 0 18 {} 8.39688 0.03143 0.09783 ++ {0.0} {} {} 3.41184 0.06777 0.21298 ++ {0.0} {} {} 122.04133 0.52020 1.24435 ++ {0.0} {} 0.0 0.3801 0 {} 0 0 0 19 {} 8.39680 0.02722 0.14249 ++ {0.0} {} {} 3.18620 0.13416 0.22686 ++ {0.0} {} {} 122.03845 0.54600 1.34905 ++ {0.0} {} 0.0 0.4578 0 {} 0 0 0 20 {} 8.28964 0.02739 0.05615 ++ {0.0} {} {} 2.30080 0.06098 0.28567 ++ {0.0} {} {} 121.95026 0.65810 1.16227 ++ {0.0} {} 0.0 0.1552 0 {} 0 0 0 21 {} 8.39699 0.02880 0.18068 ++ {0.0} {} {} 2.09963 0.14809 0.21155 ++ {0.0} {} {} 122.02740 0.58210 1.01751 ++ {0.0} {} 0.0 0.4744 0 {} 0 0 0 22 {} 8.28953 0.02736 0.06137 ++ {0.0} {} {} 1.99152 0.08090 0.25427 ++ {0.0} {} {} 121.96651 0.63354 1.21382 ++ {0.0} {} 0.0 0.3786 0 {} 0 0 0 23 {} 8.34538 0.02946 0.02012 ++ {0.0} {} {} 7.08750 0.08853 0.05633 ++ {0.0} {} {} 121.54583 0.47770 0.30396 ++ {0.0} {} 0.0 0.0299 0 {} 0 0 0 24 {} 8.34448 0.02605 0.03858 ++ {0.0} {} {} 6.64153 0.12794 0.21715 ++ {0.0} {} {} 121.55725 0.45332 0.69663 ++ {0.0} {} 0.0 0.0833 0 {} 0 0 0 25 {} 8.34411 0.02823 0.05788 ++ {0.0} {} {} 3.84641 0.12590 0.28103 ++ {0.0} {} {} 121.56613 0.49168 1.14272 ++ {0.0} {} 0.0 0.2171 0 {} 0 0 0 26 {} 8.34407 0.02925 0.07259 ++ {0.0} {} {} 3.25683 0.08474 0.26631 ++ {0.0} {} {} 121.56487 0.49747 1.21444 ++ {0.0} {} 0.0 0.2596 0 {} 0 0 0 27 {} 8.34422 0.02842 0.15155 ++ {0.0} {} {} 2.39118 0.10327 0.32457 ++ {0.0} {} {} 121.56713 0.48875 1.28463 ++ {0.0} {} 0.0 0.6892 0 {} 0 0 0 28 {} 8.34476 0.02286 0.02080 ++ {0.0} {} {} 0.94484 0.12885 0.11950 ++ {0.0} {} {} 121.55376 0.39654 0.36776 ++ {0.0} {} 0.0 0.0380 0 {} 0 0 0 29 {} 8.49514 0.03240 0.16120 ++ {0.0} {} {} 8.49439 0.12303 0.27616 ++ {0.0} {} {} 121.28305 0.59447 0.84925 ++ {0.0} {} 0.0 1.8093 0 {} 0 0 0 30 {} 8.35763 0.02477 0.07523 ++ {0.0} {} {} 8.35968 0.12426 0.17751 ++ {0.0} {} {} 121.33263 0.68542 1.00421 ++ {0.0} {} 0.0 8.6641 0 {} 0 0 0 31 {} 8.22116 0.02642 0.09672 ++ {0.0} {} {} 8.22307 0.12997 0.18568 ++ {0.0} {} {} 121.24092 0.49441 0.70631 ++ {0.0} {} 0.0 3.2075 0 {} 0 0 0 32 {} 8.22071 0.03052 0.07620 ++ {0.0} {} {} 7.88638 0.16871 0.24101 ++ {0.0} {} {} 121.23964 0.48059 1.22313 ++ {0.0} {} 0.0 0.3609 0 {} 0 0 0 33 {} 8.35524 0.03687 0.05404 ++ {0.0} {} {} 7.74900 0.14830 0.25066 ++ {0.0} {} {} 121.43131 0.59145 1.02020 ++ {0.0} {} 0.0 0.0865 0 {} 0 0 0 34 {} 8.22084 0.02136 0.02601 ++ {0.0} {} {} 7.62702 0.06110 0.15057 ++ {0.0} {} {} 121.28660 0.55316 0.61962 ++ {0.0} {} 0.0 0.0463 0 {} 0 0 0 35 {} 8.22091 0.02498 0.04858 ++ {0.0} {} {} 7.13548 0.14178 0.22667 ++ {0.0} {} {} 121.25898 0.50481 0.94457 ++ {0.0} {} 0.0 0.0977 0 {} 0 0 0 36 {} 8.07117 0.02914 0.06990 ++ {0.0} {} {} 4.65147 0.09753 0.30652 ++ {0.0} {} {} 121.35455 0.76966 1.32279 ++ {0.0} {} 0.0 0.2585 0 {} 0 0 0 37 {} 8.35923 0.02806 0.16002 ++ {0.0} {} {} 4.58727 0.15170 0.21672 ++ {0.0} {} {} 121.31335 0.60685 1.66426 ++ {0.0} {} 0.0 0.8090 0 {} 0 0 0 38 {} 8.49608 0.03009 0.12443 ++ {0.0} {} {} 4.42066 0.10345 0.14778 ++ {0.0} {} {} 121.26415 0.50226 1.31172 ++ {0.0} {} 0.0 0.5874 0 {} 0 0 0 39 {} 8.35510 0.03471 0.07523 ++ {0.0} {} {} 4.19796 0.11929 0.37492 ++ {0.0} {} {} 121.35821 0.72449 1.34029 ++ {0.0} {} 0.0 0.3272 0 {} 0 0 0 40 {} 8.22082 0.03134 0.08836 ++ {0.0} {} {} 4.18719 0.13567 0.40005 ++ {0.0} {} {} 121.22618 0.48748 1.24302 ++ {0.0} {} 0.0 0.3250 0 {} 0 0 0 41 {} 8.49328 0.01783 0.01998 ++ {0.0} {} {} 3.70800 0.17208 0.19950 ++ {0.0} {} {} 121.26957 0.41001 0.45957 ++ {0.0} {} 0.0 0.0463 0 {} 0 0 0 42 {} 8.49277 0.01809 0.01761 ++ {0.0} {} {} 3.18230 0.13403 0.13053 ++ {0.0} {} {} 121.27338 0.54319 0.52899 ++ {0.0} {} 0.0 0.0397 0 {} 0 0 0 43 {} 8.22122 0.03128 0.19540 ++ {0.0} {} {} 3.21686 0.15880 0.22686 ++ {0.0} {} {} 121.23381 0.48849 1.30149 ++ {0.0} {} 0.0 0.5641 0 {} 0 0 0 44 {} 8.07101 0.02992 0.10178 ++ {0.0} {} {} 3.19812 0.13404 0.19149 ++ {0.0} {} {} 121.34496 0.80930 1.85809 ++ {0.0} {} 0.0 0.9067 0 {} 0 0 0 45 {} 8.35257 0.03622 0.13926 ++ {0.0} {} {} 2.64325 0.14569 0.20813 ++ {0.0} {} {} 121.43853 0.57699 1.32278 ++ {0.0} {} 0.0 0.3654 0 {} 0 0 0 46 {} 8.07053 0.03008 0.05681 ++ {0.0} {} {} 2.38294 0.15032 0.27440 ++ {0.0} {} {} 121.34829 0.81243 1.26254 ++ {0.0} {} 0.0 0.1262 0 {} 0 0 0 47 {} 8.49367 0.03995 0.05904 ++ {0.0} {} {} 2.28505 0.13406 0.39774 ++ {0.0} {} {} 121.29427 0.65648 1.29517 ++ {0.0} {} 0.0 0.0939 0 {} 0 0 0 48 {} 8.22101 0.02760 0.11351 ++ {0.0} {} {} 2.07087 0.13363 0.19090 ++ {0.0} {} {} 121.22984 0.48959 1.27452 ++ {0.0} {} 0.0 0.4226 0 {} 0 0 0 49 {} 8.35891 0.02549 0.05373 ++ {0.0} {} {} 1.97803 0.19784 0.28263 ++ {0.0} {} {} 121.31305 0.62763 2.09852 ++ {0.0} {} 0.0 0.6040 0 {} 0 0 0 50 {} 8.49614 0.03018 0.11400 ++ {0.0} {} {} 1.75095 0.09626 0.30253 ++ {0.0} {} {} 121.26413 0.49915 1.27679 ++ {0.0} {} 0.0 0.4166 0 {} 0 0 0 51 {} 8.07035 0.02915 0.04077 ++ {0.0} {} {} 0.72029 0.09672 0.14016 ++ {0.0} {} {} 121.38164 0.69185 1.02421 ++ {0.0} {} 0.0 0.0739 0 {} 0 0 0 52 {} 8.06846 0.03248 0.02162 ++ {0.0} {} {} 0.37128 0.08259 0.04655 ++ {0.0} {} {} 121.34958 0.85389 0.54767 ++ {0.0} {} 0.0 0.0283 0 {} 0 0 0 53 {} 8.07732 0.03024 0.01023 ++ {0.0} {} {} 8.67299 0.10246 0.17215 ++ {0.0} {} {} 121.07050 0.93974 0.35012 ++ {0.0} {} 0.0 0.0244 0 {} 0 0 0 54 {} 8.40334 0.03351 0.05064 ++ {0.0} {} {} 8.39593 0.11192 0.15988 ++ {0.0} {} {} 121.02320 0.81619 1.69585 ++ {0.0} {} 0.0 5.8106 0 {} 0 0 0 55 {} 8.07874 0.03292 0.16120 ++ {0.0} {} {} 8.08303 0.13258 0.18940 ++ {0.0} {} {} 121.02353 0.95126 1.57162 ++ {0.0} {} 0.0 3.6566 0 {} 0 0 0 56 {} 8.07771 0.03164 0.06025 ++ {0.0} {} {} 7.08827 0.10154 0.20606 ++ {0.0} {} {} 121.07928 0.94826 1.47304 ++ {0.0} {} 0.0 0.1414 0 {} 0 0 0 57 {} 8.10352 0.02910 0.07523 ++ {0.0} {} {} 4.34528 0.17008 0.24297 ++ {0.0} {} {} 121.04964 0.74277 1.51391 ++ {0.0} {} 0.0 0.2035 0 {} 0 0 0 58 {} 8.40351 0.02757 0.17118 ++ {0.0} {} {} 4.19562 0.20523 0.29318 ++ {0.0} {} {} 121.02538 0.68635 2.93094 ++ {0.0} {} 0.0 0.8847 0 {} 0 0 0 59 {} 8.07968 0.03081 0.07204 ++ {0.0} {} {} 3.96661 0.17876 0.25537 ++ {0.0} {} {} 120.93780 0.76219 1.73756 ++ {0.0} {} 0.0 0.3678 0 {} 0 0 0 60 {} 8.39758 0.03035 0.26867 ++ {0.0} {} {} 2.09067 0.13468 0.39863 ++ {0.0} {} {} 120.99825 0.61395 1.69585 ++ {0.0} {} 0.0 0.9413 0 {} 0 0 0 61 {} 8.07983 0.03055 0.09661 ++ {0.0} {} {} 2.02103 0.17520 0.25028 ++ {0.0} {} {} 120.94308 0.63716 2.56435 ++ {0.0} {} 0.0 0.8362 0 {} 0 0 0 62 {} 8.07936 0.03155 0.05519 ++ {0.0} {} {} 1.61437 0.13190 0.22686 ++ {0.0} {} {} 120.92702 0.62217 1.32894 ++ {0.0} {} 0.0 0.1191 0 {} 0 0 0 63 {} 8.69487 0.02999 0.11796 ++ {0.0} {} {} 8.69749 0.11653 0.16648 ++ {0.0} {} {} 120.83371 0.46572 1.29591 ++ {0.0} {} 0.0 3.2978 0 {} 0 0 0 64 {} 8.53942 0.03071 0.24718 ++ {0.0} {} {} 8.53631 0.11160 0.15943 ++ {0.0} {} {} 120.70511 0.62746 0.89637 ++ {0.0} {} 0.0 3.5754 0 {} 0 0 0 65 {} 8.69456 0.03244 0.12718 ++ {0.0} {} {} 8.32718 0.12628 0.18040 ++ {0.0} {} {} 120.84497 0.48763 1.17062 ++ {0.0} {} 0.0 0.2338 0 {} 0 0 0 66 {} 8.27329 0.02685 0.15021 ++ {0.0} {} {} 8.27441 0.10471 0.14959 ++ {0.0} {} {} 120.80971 0.49058 1.31834 ++ {0.0} {} 0.0 6.6911 0 {} 0 0 0 67 {} 8.54004 0.02848 0.13735 ++ {0.0} {} {} 8.11116 0.14025 0.20035 ++ {0.0} {} {} 120.70223 0.60546 1.25390 ++ {0.0} {} 0.0 0.3825 0 {} 0 0 0 68 {} 7.75608 0.03047 0.07441 ++ {0.0} {} {} 8.10021 0.20048 0.28640 ++ {0.0} {} {} 120.80344 0.52614 1.30562 ++ {0.0} {} 0.0 0.3382 0 {} 0 0 0 69 {} 8.69485 0.03012 0.06330 ++ {0.0} {} {} 7.99126 0.12302 0.17575 ++ {0.0} {} {} 120.82922 0.47586 1.19318 ++ {0.0} {} 0.0 0.3277 0 {} 0 0 0 70 {} 8.53925 0.02898 0.03991 ++ {0.0} {} {} 7.75477 0.15790 0.22556 ++ {0.0} {} {} 120.69231 0.57284 0.91499 ++ {0.0} {} 0.0 0.0765 0 {} 0 0 0 71 {} 7.75634 0.03069 0.14855 ++ {0.0} {} {} 7.75777 0.14968 0.21383 ++ {0.0} {} {} 120.80491 0.51518 3.21504 ++ {0.0} {} 0.0 3.2115 0 {} 0 0 0 72 {} 8.27267 0.02876 0.03615 ++ {0.0} {} {} 7.68182 0.12798 0.16844 ++ {0.0} {} {} 120.78416 0.52855 0.70441 ++ {0.0} {} 0.0 0.0586 0 {} 0 0 0 73 {} 7.75726 0.02818 0.03588 ++ {0.0} {} {} 7.11943 0.13152 0.21231 ++ {0.0} {} {} 120.78979 0.52606 0.76015 ++ {0.0} {} 0.0 0.0648 0 {} 0 0 0 74 {} 8.27349 0.02517 0.06030 ++ {0.0} {} {} 4.59754 0.13293 0.28663 ++ {0.0} {} {} 120.80748 0.52357 2.40452 ++ {0.0} {} 0.0 1.0811 0 {} 0 0 0 75 {} 8.69463 0.03020 0.06378 ++ {0.0} {} {} 4.49950 0.12208 0.17440 ++ {0.0} {} {} 120.83043 0.46742 1.18790 ++ {0.0} {} 0.0 0.3962 0 {} 0 0 0 76 {} 7.75649 0.03085 0.06450 ++ {0.0} {} {} 4.44169 0.13884 0.19834 ++ {0.0} {} {} 120.80237 0.51290 1.23737 ++ {0.0} {} 0.0 0.3116 0 {} 0 0 0 77 {} 8.54008 0.02805 0.08405 ++ {0.0} {} {} 4.10730 0.18932 0.27045 ++ {0.0} {} {} 120.69543 0.57516 1.25064 ++ {0.0} {} 0.0 0.5267 0 {} 0 0 0 78 {} 7.75641 0.03055 0.06422 ++ {0.0} {} {} 4.12100 0.18054 0.25792 ++ {0.0} {} {} 120.80346 0.49632 1.14834 ++ {0.0} {} 0.0 0.2547 0 {} 0 0 0 79 {} 8.69486 0.03022 0.06112 ++ {0.0} {} {} 4.06172 0.12496 0.28365 ++ {0.0} {} {} 120.82677 0.47757 1.13560 ++ {0.0} {} 0.0 0.2520 0 {} 0 0 0 80 {} 8.53925 0.03119 0.04146 ++ {0.0} {} {} 3.85048 0.04986 0.15541 ++ {0.0} {} {} 120.68551 0.57675 0.87083 ++ {0.0} {} 0.0 0.0682 0 {} 0 0 0 81 {} 8.54005 0.02512 0.02518 ++ {0.0} {} {} 3.24935 0.05766 0.12716 ++ {0.0} {} {} 120.66235 0.51524 0.51655 ++ {0.0} {} 0.0 0.0408 0 {} 0 0 0 82 {} 8.69525 0.03421 0.01906 ++ {0.0} {} {} 3.22605 0.12969 0.06227 ++ {0.0} {} {} 120.81368 0.58351 0.28017 ++ {0.0} {} 0.0 0.0268 0 {} 0 0 0 83 {} 7.75677 0.03064 0.03740 ++ {0.0} {} {} 3.22037 0.15268 0.18584 ++ {0.0} {} {} 120.78892 0.54480 0.68816 ++ {0.0} {} 0.0 0.0546 0 {} 0 0 0 84 {} 8.69493 0.02984 0.06350 ++ {0.0} {} {} 2.85623 0.11903 0.27834 ++ {0.0} {} {} 120.83157 0.46893 1.20413 ++ {0.0} {} 0.0 0.4834 0 {} 0 0 0 85 {} 8.27330 0.02660 0.06267 ++ {0.0} {} {} 2.66155 0.19078 0.27254 ++ {0.0} {} {} 120.80452 0.50174 1.30963 ++ {0.0} {} 0.0 0.7118 0 {} 0 0 0 86 {} 8.69472 0.03102 0.06383 ++ {0.0} {} {} 2.62224 0.11751 0.16788 ++ {0.0} {} {} 120.82995 0.47270 1.12836 ++ {0.0} {} 0.0 0.2699 0 {} 0 0 0 87 {} 8.53913 0.03186 0.08529 ++ {0.0} {} {} 2.59199 0.15898 0.22712 ++ {0.0} {} {} 120.70236 0.59927 1.29550 ++ {0.0} {} 0.0 0.5928 0 {} 0 0 0 88 {} 8.54001 0.02799 0.21340 ++ {0.0} {} {} 2.26280 0.20722 0.29603 ++ {0.0} {} {} 120.69534 0.58100 1.34739 ++ {0.0} {} 0.0 0.9921 0 {} 0 0 0 89 {} 8.69482 0.03029 0.09293 ++ {0.0} {} {} 2.11422 0.16972 0.24245 ++ {0.0} {} {} 120.83390 0.47022 1.23990 ++ {0.0} {} 0.0 0.5537 0 {} 0 0 0 90 {} 7.75655 0.03072 0.07938 ++ {0.0} {} {} 2.03071 0.07830 0.24609 ++ {0.0} {} {} 120.80576 0.51432 1.35190 ++ {0.0} {} 0.0 0.3257 0 {} 0 0 0 91 {} 7.75634 0.03070 0.09663 ++ {0.0} {} {} 1.79200 0.11192 0.15988 ++ {0.0} {} {} 120.80602 0.51467 1.32902 ++ {0.0} {} 0.0 0.5380 0 {} 0 0 0 92 {} 7.75642 0.03038 0.07436 ++ {0.0} {} {} 1.51154 0.20022 0.28603 ++ {0.0} {} {} 120.80424 0.51250 1.26270 ++ {0.0} {} 0.0 0.4375 0 {} 0 0 0 93 {} 8.54001 0.02677 0.03753 ++ {0.0} {} {} 0.94685 0.14102 0.20252 ++ {0.0} {} {} 120.68848 0.55425 0.87319 ++ {0.0} {} 0.0 0.0746 0 {} 0 0 0 94 {} 7.75633 0.02871 0.04416 ++ {0.0} {} {} 0.72145 0.10022 0.16580 ++ {0.0} {} {} 120.80680 0.50544 0.90199 ++ {0.0} {} 0.0 0.0950 0 {} 0 0 0 95 {} 7.75622 0.03054 0.04793 ++ {0.0} {} {} 0.36756 0.09533 0.15056 ++ {0.0} {} {} 120.80146 0.50951 0.93011 ++ {0.0} {} 0.0 0.0968 0 {} 0 0 0 96 {} 7.97693 0.03468 0.08249 ++ {0.0} {} {} 8.36458 0.17687 0.25268 ++ {0.0} {} {} 120.33411 0.51189 1.27814 ++ {0.0} {} 0.0 0.3878 0 {} 0 0 0 97 {} 8.15975 0.03542 0.07523 ++ {0.0} {} {} 8.15812 0.14307 0.20439 ++ {0.0} {} {} 120.51026 0.70291 1.43297 ++ {0.0} {} 0.0 3.7020 0 {} 0 0 0 98 {} 8.39224 0.03056 0.07893 ++ {0.0} {} {} 7.98555 0.05630 0.17693 ++ {0.0} {} {} 120.39419 0.62319 1.34875 ++ {0.0} {} 0.0 0.3071 0 {} 0 0 0 99 {} 7.97637 0.03249 0.04641 ++ {0.0} {} {} 7.97369 0.12016 0.17166 ++ {0.0} {} {} 120.28951 0.95273 3.09279 ++ {0.0} {} 0.0 5.1132 0 {} 0 0 0 100 {} 8.15907 0.02891 0.06314 ++ {0.0} {} {} 4.27929 0.14793 0.21133 ++ {0.0} {} {} 120.50552 0.57706 0.82438 ++ {0.0} {} 0.0 0.5294 0 {} 0 0 0 101 {} 8.39245 0.02961 0.06320 ++ {0.0} {} {} 3.86577 0.10661 0.27913 ++ {0.0} {} {} 120.39873 0.64224 1.20350 ++ {0.0} {} 0.0 0.2974 0 {} 0 0 0 102 {} 7.98186 0.02967 0.06507 ++ {0.0} {} {} 3.84985 0.11539 0.27329 ++ {0.0} {} {} 120.32722 0.49151 1.28191 ++ {0.0} {} 0.0 0.4055 0 {} 0 0 0 103 {} 8.39235 0.02968 0.06238 ++ {0.0} {} {} 3.51604 0.11233 0.29742 ++ {0.0} {} {} 120.40379 0.66633 1.19726 ++ {0.0} {} 0.0 0.2571 0 {} 0 0 0 104 {} 8.16821 0.02839 0.06387 ++ {0.0} {} {} 3.51524 0.11151 0.29164 ++ {0.0} {} {} 120.35754 0.51673 1.23696 ++ {0.0} {} 0.0 0.3591 0 {} 0 0 0 105 {} 7.97309 0.02971 0.03629 ++ {0.0} {} {} 3.21597 0.15340 0.18926 ++ {0.0} {} {} 120.36419 0.54936 0.73080 ++ {0.0} {} 0.0 0.0569 0 {} 0 0 0 106 {} 8.39247 0.02995 0.06449 ++ {0.0} {} {} 3.13276 0.13902 0.19859 ++ {0.0} {} {} 120.40648 0.68580 1.30789 ++ {0.0} {} 0.0 0.2559 0 {} 0 0 0 107 {} 8.16807 0.02990 0.13783 ++ {0.0} {} {} 3.13173 0.13031 0.18615 ++ {0.0} {} {} 120.36249 0.54298 1.34850 ++ {0.0} {} 0.0 0.4646 0 {} 0 0 0 108 {} 8.16409 0.03613 0.14952 ++ {0.0} {} {} 2.13680 0.28873 0.41247 ++ {0.0} {} {} 120.41582 0.74604 2.11096 ++ {0.0} {} 0.0 0.4461 0 {} 0 0 0 109 {} 7.97567 0.02605 0.08398 ++ {0.0} {} {} 1.92437 0.11004 0.34584 ++ {0.0} {} {} 120.34637 0.49526 1.31609 ++ {0.0} {} 0.0 1.1995 0 {} 0 0 0 110 {} 7.98183 0.02878 0.05595 ++ {0.0} {} {} 1.24945 0.09811 0.23808 ++ {0.0} {} {} 120.33078 0.46789 1.11495 ++ {0.0} {} 0.0 0.2355 0 {} 0 0 0 111 {} 8.39393 0.02452 0.00021 ++ {0.0} {} {} 0.91394 0.08917 0.00076 ++ {0.0} {} {} 120.37022 0.52753 0.00448 ++ {0.0} {} 0.0 0.0204 0 {} 0 0 0 112 {} 7.98197 0.02933 0.06152 ++ {0.0} {} {} 0.92755 0.13168 0.27314 ++ {0.0} {} {} 120.33371 0.47827 1.19664 ++ {0.0} {} 0.0 0.2912 0 {} 0 0 0 113 {} 8.21234 0.02935 0.09174 ++ {0.0} {} {} 8.21511 0.11443 0.16348 ++ {0.0} {} {} 120.14567 0.65596 1.54168 ++ {0.0} {} 0.0 6.0918 0 {} 0 0 0 114 {} 8.21138 0.02762 0.03645 ++ {0.0} {} {} 7.62306 0.11270 0.14401 ++ {0.0} {} {} 120.15900 0.58431 0.81024 ++ {0.0} {} 0.0 0.0564 0 {} 0 0 0 115 {} 8.21299 0.02540 0.07325 ++ {0.0} {} {} 4.59568 0.13862 0.29012 ++ {0.0} {} {} 120.14095 0.67838 2.02987 ++ {0.0} {} 0.0 0.8396 0 {} 0 0 0 116 {} 8.21219 0.02903 0.07086 ++ {0.0} {} {} 2.65444 0.16620 0.23743 ++ {0.0} {} {} 120.14008 0.65340 1.54995 ++ {0.0} {} 0.0 0.6133 0 {} 0 0 0 117 {} 7.99296 0.02581 0.05735 ++ {0.0} {} {} 8.69063 0.12168 0.29013 ++ {0.0} {} {} 119.76006 0.54035 1.19079 ++ {0.0} {} 0.0 0.2868 0 {} 0 0 0 118 {} 7.69858 0.03214 0.07603 ++ {0.0} {} {} 8.16469 0.15880 0.22686 ++ {0.0} {} {} 119.89868 0.50221 1.24161 ++ {0.0} {} 0.0 0.2938 0 {} 0 0 0 119 {} 7.69861 0.03196 0.22700 ++ {0.0} {} {} 7.69506 0.12928 0.18469 ++ {0.0} {} {} 119.88889 0.50587 1.25392 ++ {0.0} {} 0.0 2.8219 0 {} 0 0 0 120 {} 7.99307 0.02599 0.02838 ++ {0.0} {} {} 7.40309 0.15898 0.16944 ++ {0.0} {} {} 119.83155 0.80786 0.85870 ++ {0.0} {} 0.0 0.0441 0 {} 0 0 0 121 {} 7.69821 0.03254 0.01022 ++ {0.0} {} {} 7.10194 0.19556 0.03937 ++ {0.0} {} {} 119.87193 0.43907 0.11236 ++ {0.0} {} 0.0 0.0233 0 {} 0 0 0 122 {} 8.35600 0.02547 0.12386 ++ {0.0} {} {} 4.21542 0.10195 0.27599 ++ {0.0} {} {} 119.89295 0.52029 1.69585 ++ {0.0} {} 0.0 0.3193 0 {} 0 0 0 123 {} 7.69867 0.03160 0.07409 ++ {0.0} {} {} 4.25226 0.14384 0.20549 ++ {0.0} {} {} 119.88601 0.51495 1.26409 ++ {0.0} {} 0.0 0.3419 0 {} 0 0 0 124 {} 7.99238 0.02815 0.08404 ++ {0.0} {} {} 4.07054 0.11218 0.16026 ++ {0.0} {} {} 119.78463 0.77618 1.78542 ++ {0.0} {} 0.0 0.6734 0 {} 0 0 0 125 {} 7.69842 0.03303 0.05594 ++ {0.0} {} {} 3.84738 0.11855 0.22193 ++ {0.0} {} {} 119.88610 0.49824 0.94787 ++ {0.0} {} 0.0 0.1102 0 {} 0 0 0 126 {} 7.69872 0.03202 0.04229 ++ {0.0} {} {} 3.27715 0.15660 0.21845 ++ {0.0} {} {} 119.90680 0.46793 0.67343 ++ {0.0} {} 0.0 0.0726 0 {} 0 0 0 127 {} 7.99348 0.02523 0.00231 ++ {0.0} {} {} 2.85533 0.07775 0.00697 ++ {0.0} {} {} 119.73050 0.50827 0.04556 ++ {0.0} {} 0.0 0.0213 0 {} 0 0 0 128 {} 7.99270 0.02763 0.16120 ++ {0.0} {} {} 2.11475 0.17237 0.24625 ++ {0.0} {} {} 119.76344 0.68239 1.85396 ++ {0.0} {} 0.0 1.4522 0 {} 0 0 0 129 {} 7.69869 0.03191 0.09038 ++ {0.0} {} {} 2.10016 0.08919 0.28031 ++ {0.0} {} {} 119.88992 0.50162 1.27747 ++ {0.0} {} 0.0 0.5972 0 {} 0 0 0 130 {} 7.70006 0.03760 0.02713 ++ {0.0} {} {} 1.24050 0.11381 0.07902 ++ {0.0} {} {} 119.92078 0.45246 0.31417 ++ {0.0} {} 0.0 0.0312 0 {} 0 0 0 131 {} 7.69901 0.03119 0.06350 ++ {0.0} {} {} 0.94239 0.15395 0.25936 ++ {0.0} {} {} 119.88397 0.49360 1.07874 ++ {0.0} {} 0.0 0.1752 0 {} 0 0 0 132 {} 7.88161 0.04518 0.12092 ++ {0.0} {} {} 8.42197 0.05566 0.29325 ++ {0.0} {} {} 119.48900 0.67595 1.44149 ++ {0.0} {} 0.0 0.4295 0 {} 0 0 0 133 {} 7.88247 0.03153 0.10511 ++ {0.0} {} {} 8.22979 0.15880 0.22686 ++ {0.0} {} {} 119.50114 0.64864 1.22606 ++ {0.0} {} 0.0 0.3959 0 {} 0 0 0 134 {} 8.18018 0.02208 0.09672 ++ {0.0} {} {} 8.17535 0.12649 0.18071 ++ {0.0} {} {} 119.47085 0.66039 1.54168 ++ {0.0} {} 0.0 4.0220 0 {} 0 0 0 135 {} 7.88150 0.03381 0.19449 ++ {0.0} {} {} 7.88151 0.13716 0.19594 ++ {0.0} {} {} 119.48837 0.69583 1.02435 ++ {0.0} {} 0.0 4.3986 0 {} 0 0 0 136 {} 8.18055 0.01775 0.04146 ++ {0.0} {} {} 4.60351 0.05820 0.29955 ++ {0.0} {} {} 119.47635 0.62161 1.32407 ++ {0.0} {} 0.0 0.6019 0 {} 0 0 0 137 {} 8.30552 0.04135 0.16052 ++ {0.0} {} {} 4.10891 0.16216 0.23165 ++ {0.0} {} {} 119.60414 0.53065 1.58920 ++ {0.0} {} 0.0 0.3986 0 {} 0 0 0 138 {} 7.88172 0.03921 0.12860 ++ {0.0} {} {} 4.02793 0.14349 0.20498 ++ {0.0} {} {} 119.49104 0.68055 1.46224 ++ {0.0} {} 0.0 0.6269 0 {} 0 0 0 139 {} 8.17989 0.02033 0.04660 ++ {0.0} {} {} 2.65375 0.17266 0.24665 ++ {0.0} {} {} 119.47787 0.59987 1.18256 ++ {0.0} {} 0.0 0.4291 0 {} 0 0 0 140 {} 7.88247 0.03157 0.10643 ++ {0.0} {} {} 2.32000 0.07186 0.20578 ++ {0.0} {} {} 119.50169 0.65187 1.35504 ++ {0.0} {} 0.0 0.4208 0 {} 0 0 0 141 {} 7.88259 0.03121 0.13452 ++ {0.0} {} {} 2.05847 0.21035 0.30050 ++ {0.0} {} {} 119.50220 0.65632 1.68814 ++ {0.0} {} 0.0 1.2903 0 {} 0 0 0 142 {} 8.10870 0.02931 0.07358 ++ {0.0} {} {} 8.53545 0.11536 0.16480 ++ {0.0} {} {} 119.21840 0.58625 1.27805 ++ {0.0} {} 0.0 0.3539 0 {} 0 0 0 143 {} 8.10913 0.03040 0.11822 ++ {0.0} {} {} 8.10545 0.13060 0.18658 ++ {0.0} {} {} 119.23799 0.68873 2.88667 ++ {0.0} {} 0.0 3.8354 0 {} 0 0 0 144 {} 8.10902 0.02863 0.06359 ++ {0.0} {} {} 7.75606 0.14917 0.21310 ++ {0.0} {} {} 119.22236 0.57759 1.29516 ++ {0.0} {} 0.0 0.3735 0 {} 0 0 0 145 {} 8.19250 0.03991 0.03951 ++ {0.0} {} {} 7.61266 0.18579 0.18387 ++ {0.0} {} {} 119.16491 0.90400 0.89106 ++ {0.0} {} 0.0 0.0402 0 {} 0 0 0 146 {} 8.10959 0.03154 0.04920 ++ {0.0} {} {} 4.51407 0.17291 0.27291 ++ {0.0} {} {} 119.23911 0.53997 0.91698 ++ {0.0} {} 0.0 0.0951 0 {} 0 0 0 147 {} 8.19990 0.02418 0.05994 ++ {0.0} {} {} 4.33348 0.14856 0.21223 ++ {0.0} {} {} 119.12184 0.54106 1.29023 ++ {0.0} {} 0.0 0.2039 0 {} 0 0 0 148 {} 8.10887 0.02969 0.08006 ++ {0.0} {} {} 4.15932 0.15673 0.22389 ++ {0.0} {} {} 119.25029 0.58675 1.25557 ++ {0.0} {} 0.0 0.5258 0 {} 0 0 0 149 {} 8.19983 0.03196 0.12701 ++ {0.0} {} {} 4.02770 0.15093 0.21561 ++ {0.0} {} {} 119.10953 0.51946 1.25770 ++ {0.0} {} 0.0 0.2844 0 {} 0 0 0 150 {} 8.19943 0.02616 0.04330 ++ {0.0} {} {} 3.19988 0.14039 0.23701 ++ {0.0} {} {} 119.12681 0.59294 1.06452 ++ {0.0} {} 0.0 0.0779 0 {} 0 0 0 151 {} 8.10897 0.03069 0.04255 ++ {0.0} {} {} 3.24732 0.11757 0.20672 ++ {0.0} {} {} 119.25332 0.51696 0.87184 ++ {0.0} {} 0.0 0.0879 0 {} 0 0 0 152 {} 7.85342 0.03229 0.07356 ++ {0.0} {} {} 3.14563 0.17588 0.25126 ++ {0.0} {} {} 119.24368 0.53959 1.28429 ++ {0.0} {} 0.0 0.3638 0 {} 0 0 0 153 {} 8.10950 0.03022 0.04094 ++ {0.0} {} {} 2.59017 0.15495 0.22952 ++ {0.0} {} {} 119.29191 0.56935 0.94635 ++ {0.0} {} 0.0 0.0763 0 {} 0 0 0 154 {} 8.19998 0.02296 0.07094 ++ {0.0} {} {} 2.37748 0.13255 0.18935 ++ {0.0} {} {} 119.11385 0.50731 1.29899 ++ {0.0} {} 0.0 0.4609 0 {} 0 0 0 155 {} 8.20002 0.02391 0.13678 ++ {0.0} {} {} 2.12164 0.16099 0.22999 ++ {0.0} {} {} 119.11321 0.68516 1.41563 ++ {0.0} {} 0.0 1.0087 0 {} 0 0 0 156 {} 8.10878 0.02976 0.16120 ++ {0.0} {} {} 2.02716 0.14304 0.20434 ++ {0.0} {} {} 119.22723 0.58506 1.34792 ++ {0.0} {} 0.0 0.9775 0 {} 0 0 0 157 {} 8.10880 0.02996 0.07647 ++ {0.0} {} {} 1.78627 0.05373 0.28956 ++ {0.0} {} {} 119.22471 0.58482 1.29939 ++ {0.0} {} 0.0 0.4645 0 {} 0 0 0 158 {} 8.33136 0.02933 0.06256 ++ {0.0} {} {} 8.70204 0.11333 0.26905 ++ {0.0} {} {} 118.95112 0.51520 1.20638 ++ {0.0} {} 0.0 0.2653 0 {} 0 0 0 159 {} 8.41990 0.02935 0.16120 ++ {0.0} {} {} 8.42009 0.11432 0.16332 ++ {0.0} {} {} 118.81331 0.66942 1.99855 ++ {0.0} {} 0.0 3.1382 0 {} 0 0 0 160 {} 8.33137 0.02937 0.16120 ++ {0.0} {} {} 8.32805 0.10693 0.15276 ++ {0.0} {} {} 118.95890 0.51066 1.32525 ++ {0.0} {} 0.0 2.9556 0 {} 0 0 0 161 {} 8.33142 0.03011 0.06364 ++ {0.0} {} {} 7.96507 0.13394 0.19135 ++ {0.0} {} {} 118.95853 0.50351 1.19510 ++ {0.0} {} 0.0 0.2861 0 {} 0 0 0 162 {} 8.41998 0.02948 0.13437 ++ {0.0} {} {} 7.88116 0.13998 0.19997 ++ {0.0} {} {} 118.81889 0.54920 1.35662 ++ {0.0} {} 0.0 0.3626 0 {} 0 0 0 163 {} 8.42111 0.02410 0.00521 ++ {0.0} {} {} 7.09684 0.08623 0.01861 ++ {0.0} {} {} 118.77678 0.35483 0.07659 ++ {0.0} {} 0.0 0.0228 0 {} 0 0 0 164 {} 8.33138 0.02901 0.05820 ++ {0.0} {} {} 4.49786 0.12612 0.18016 ++ {0.0} {} {} 118.95943 0.51126 1.15060 ++ {0.0} {} 0.0 0.2016 0 {} 0 0 0 165 {} 8.41915 0.02909 0.04940 ++ {0.0} {} {} 4.30959 0.16448 0.26322 ++ {0.0} {} {} 118.81401 0.55733 1.08213 ++ {0.0} {} 0.0 0.1128 0 {} 0 0 0 166 {} 8.33103 0.02941 0.06552 ++ {0.0} {} {} 4.22501 0.05465 0.17177 ++ {0.0} {} {} 118.95620 0.51186 1.24699 ++ {0.0} {} 0.0 0.3710 0 {} 0 0 0 167 {} 8.41969 0.02902 0.06030 ++ {0.0} {} {} 3.80535 0.11334 0.35620 ++ {0.0} {} {} 118.80966 0.52863 1.26355 ++ {0.0} {} 0.0 0.3164 0 {} 0 0 0 168 {} 8.41992 0.02879 0.05914 ++ {0.0} {} {} 3.41210 0.14985 0.21407 ++ {0.0} {} {} 118.81377 0.53933 1.28049 ++ {0.0} {} 0.0 0.2935 0 {} 0 0 0 169 {} 8.41973 0.02919 0.06024 ++ {0.0} {} {} 3.18347 0.14818 0.22686 ++ {0.0} {} {} 118.81171 0.53300 1.21650 ++ {0.0} {} 0.0 0.2607 0 {} 0 0 0 170 {} 8.33158 0.02897 0.05738 ++ {0.0} {} {} 2.85781 0.12183 0.26861 ++ {0.0} {} {} 118.94995 0.51766 1.12719 ++ {0.0} {} 0.0 0.1931 0 {} 0 0 0 171 {} 8.33137 0.02925 0.06869 ++ {0.0} {} {} 2.52242 0.10711 0.33664 ++ {0.0} {} {} 118.96044 0.52173 1.24212 ++ {0.0} {} 0.0 0.3214 0 {} 0 0 0 172 {} 8.33134 0.03000 0.13971 ++ {0.0} {} {} 2.12554 0.13922 0.19889 ++ {0.0} {} {} 118.96722 0.51472 1.28703 ++ {0.0} {} 0.0 0.8530 0 {} 0 0 0 173 {} 8.41991 0.02940 0.16120 ++ {0.0} {} {} 2.00002 0.25490 0.36415 ++ {0.0} {} {} 118.81479 0.66918 1.86588 ++ {0.0} {} 0.0 0.9340 0 {} 0 0 0 174 {} 8.33088 0.02537 0.01918 ++ {0.0} {} {} 0.71123 0.07573 0.05810 ++ {0.0} {} {} 119.03444 0.39100 0.30000 ++ {0.0} {} 0.0 0.0330 0 {} 0 0 0 175 {} 7.85613 0.01362 0.00720 ++ {0.0} {} {} 8.69868 0.11872 0.06278 ++ {0.0} {} {} 118.61202 0.44423 0.23490 ++ {0.0} {} 0.0 0.0277 0 {} 0 0 0 176 {} 7.86126 0.03132 0.15854 ++ {0.0} {} {} 7.86136 0.11561 0.16516 ++ {0.0} {} {} 118.53987 0.71226 1.01751 ++ {0.0} {} 0.0 3.6056 0 {} 0 0 0 177 {} 7.86131 0.03166 0.06263 ++ {0.0} {} {} 4.43926 0.12780 0.26821 ++ {0.0} {} {} 118.51795 0.69877 1.32465 ++ {0.0} {} 0.0 0.1706 0 {} 0 0 0 178 {} 7.86119 0.03107 0.07860 ++ {0.0} {} {} 4.08904 0.12274 0.17534 ++ {0.0} {} {} 118.53924 0.94171 1.88167 ++ {0.0} {} 0.0 0.5571 0 {} 0 0 0 179 {} 8.15400 0.03261 0.08022 ++ {0.0} {} {} 4.00105 0.11630 0.29766 ++ {0.0} {} {} 118.46027 0.48491 1.31412 ++ {0.0} {} 0.0 0.4101 0 {} 0 0 0 180 {} 8.15432 0.03344 0.05032 ++ {0.0} {} {} 3.20673 0.20574 0.28047 ++ {0.0} {} {} 118.43953 0.48695 0.85638 ++ {0.0} {} 0.0 0.0801 0 {} 0 0 0 181 {} 8.15411 0.03183 0.07670 ++ {0.0} {} {} 2.51925 0.06893 0.28715 ++ {0.0} {} {} 118.45748 0.47057 1.22401 ++ {0.0} {} 0.0 0.2883 0 {} 0 0 0 182 {} 8.15399 0.03190 0.11756 ++ {0.0} {} {} 2.08821 0.13410 0.19158 ++ {0.0} {} {} 118.46228 0.70403 2.37418 ++ {0.0} {} 0.0 0.8253 0 {} 0 0 0 183 {} 7.86093 0.03157 0.10389 ++ {0.0} {} {} 2.10454 0.16324 0.23320 ++ {0.0} {} {} 118.51119 0.53913 1.62993 ++ {0.0} {} 0.0 0.9759 0 {} 0 0 0 184 {} 7.85746 0.01451 0.01555 ++ {0.0} {} {} 0.71962 0.08936 0.09577 ++ {0.0} {} {} 118.52623 0.42303 0.45340 ++ {0.0} {} 0.0 0.0439 0 {} 0 0 0 185 {} 7.85764 0.01840 0.02783 ++ {0.0} {} {} 0.35912 0.10619 0.14175 ++ {0.0} {} {} 118.52431 0.47405 0.63279 ++ {0.0} {} 0.0 0.0612 0 {} 0 0 0 186 {} 8.05068 0.02945 0.10813 ++ {0.0} {} {} 8.04981 0.11254 0.16077 ++ {0.0} {} {} 118.14616 0.46254 1.34279 ++ {0.0} {} 0.0 1.6177 0 {} 0 0 0 187 {} 8.05079 0.02907 0.07138 ++ {0.0} {} {} 4.07006 0.12036 0.29239 ++ {0.0} {} {} 118.14756 0.46799 1.23319 ++ {0.0} {} 0.0 0.3907 0 {} 0 0 0 188 {} 8.05123 0.02847 0.01815 ++ {0.0} {} {} 3.13697 0.17091 0.11080 ++ {0.0} {} {} 118.12651 0.39826 0.26370 ++ {0.0} {} 0.0 0.0304 0 {} 0 0 0 189 {} 8.05085 0.02868 0.06358 ++ {0.0} {} {} 2.48805 0.12835 0.38959 ++ {0.0} {} {} 118.14767 0.46203 1.18397 ++ {0.0} {} 0.0 0.3043 0 {} 0 0 0 190 {} 8.05068 0.02433 0.00968 ++ {0.0} {} {} 0.88951 0.10714 0.04123 ++ {0.0} {} {} 118.14359 0.38875 0.14958 ++ {0.0} {} 0.0 0.0252 0 {} 0 0 0 191 {} 8.51782 0.02977 0.15007 ++ {0.0} {} {} 8.51475 0.13233 0.18904 ++ {0.0} {} {} 117.81662 0.45161 1.66731 ++ {0.0} {} 0.0 2.6207 0 {} 0 0 0 192 {} 7.62882 0.03195 0.01855 ++ {0.0} {} {} 8.42008 0.05203 0.06611 ++ {0.0} {} {} 117.85638 0.48575 0.28054 ++ {0.0} {} 0.0 0.0286 0 {} 0 0 0 193 {} 7.62705 0.03824 0.04321 ++ {0.0} {} {} 8.21485 0.14392 0.20560 ++ {0.0} {} {} 117.86601 0.51673 0.58491 ++ {0.0} {} 0.0 0.0469 0 {} 0 0 0 194 {} 8.51759 0.02977 0.10308 ++ {0.0} {} {} 7.96308 0.15263 0.25131 ++ {0.0} {} {} 117.82185 0.46175 1.28424 ++ {0.0} {} 0.0 0.3143 0 {} 0 0 0 195 {} 7.62696 0.03447 0.21904 ++ {0.0} {} {} 7.62519 0.12683 0.18118 ++ {0.0} {} {} 117.84612 0.48337 0.69053 ++ {0.0} {} 0.0 2.7156 0 {} 0 0 0 196 {} 7.62619 0.03338 0.02910 ++ {0.0} {} {} 7.07327 0.18413 0.16776 ++ {0.0} {} {} 117.86274 0.47105 0.41567 ++ {0.0} {} 0.0 0.0364 0 {} 0 0 0 197 {} 8.51781 0.03199 0.05838 ++ {0.0} {} {} 4.34979 0.04996 0.23939 ++ {0.0} {} {} 117.81110 0.44615 0.88661 ++ {0.0} {} 0.0 0.1151 0 {} 0 0 0 198 {} 7.66606 0.03761 0.05373 ++ {0.0} {} {} 4.24169 0.15880 0.22686 ++ {0.0} {} {} 117.94924 0.65983 1.17377 ++ {0.0} {} 0.0 0.2258 0 {} 0 0 0 199 {} 7.62748 0.03761 0.05373 ++ {0.0} {} {} 4.22894 0.07987 0.25101 ++ {0.0} {} {} 117.84751 0.48365 1.20891 ++ {0.0} {} 0.0 0.3153 0 {} 0 0 0 200 {} 8.51743 0.03081 0.09421 ++ {0.0} {} {} 4.13967 0.12994 0.39187 ++ {0.0} {} {} 117.81583 0.43496 1.09059 ++ {0.0} {} 0.0 0.2384 0 {} 0 0 0 201 {} 8.51741 0.03005 0.05761 ++ {0.0} {} {} 3.92481 0.06121 0.27017 ++ {0.0} {} {} 117.82091 0.44372 1.01352 ++ {0.0} {} 0.0 0.1590 0 {} 0 0 0 202 {} 8.05263 0.02068 0.00922 ++ {0.0} {} {} 3.50173 0.11424 0.05092 ++ {0.0} {} {} 118.09722 0.42625 0.19000 ++ {0.0} {} 0.0 0.0262 0 {} 0 0 0 203 {} 8.51734 0.03115 0.04878 ++ {0.0} {} {} 3.21067 0.15428 0.23858 ++ {0.0} {} {} 117.80914 0.42071 0.65104 ++ {0.0} {} 0.0 0.0900 0 {} 0 0 0 204 {} 7.62691 0.03503 0.05794 ++ {0.0} {} {} 3.11994 0.12805 0.22858 ++ {0.0} {} {} 117.83904 0.50682 0.95308 ++ {0.0} {} 0.0 0.0900 0 {} 0 0 0 205 {} 8.51854 0.03059 0.03555 ++ {0.0} {} {} 2.81133 0.23270 0.27986 ++ {0.0} {} {} 117.80470 0.43506 0.52583 ++ {0.0} {} 0.0 0.0515 0 {} 0 0 0 206 {} 8.51786 0.02964 0.04643 ++ {0.0} {} {} 2.39416 0.20024 0.28439 ++ {0.0} {} {} 117.82129 0.42743 0.67363 ++ {0.0} {} 0.0 0.0960 0 {} 0 0 0 207 {} 7.66779 0.03472 0.11863 ++ {0.0} {} {} 2.25367 0.08561 0.26906 ++ {0.0} {} {} 117.95970 0.65175 1.17248 ++ {0.0} {} 0.0 0.2253 0 {} 0 0 0 208 {} 8.51774 0.02983 0.13471 ++ {0.0} {} {} 1.99988 0.13763 0.19661 ++ {0.0} {} {} 117.81842 0.45019 1.63926 ++ {0.0} {} 0.0 0.8075 0 {} 0 0 0 209 {} 7.66743 0.05266 0.07523 ++ {0.0} {} {} 1.95778 0.11967 0.37609 ++ {0.0} {} {} 117.95515 0.65384 1.20736 ++ {0.0} {} 0.0 0.3189 0 {} 0 0 0 210 {} 7.62700 0.03435 0.10492 ++ {0.0} {} {} 1.85507 0.12133 0.37956 ++ {0.0} {} {} 117.84545 0.48609 1.32434 ++ {0.0} {} 0.0 0.6377 0 {} 0 0 0 211 {} 8.51743 0.02821 0.02863 ++ {0.0} {} {} 0.72322 0.10608 0.10827 ++ {0.0} {} {} 117.84817 0.40440 0.41275 ++ {0.0} {} 0.0 0.0416 0 {} 0 0 0 212 {} 8.17167 0.03234 0.18902 ++ {0.0} {} {} 8.17028 0.13779 0.19684 ++ {0.0} {} {} 117.31267 0.64056 1.68237 ++ {0.0} {} 0.0 2.9544 0 {} 0 0 0 213 {} 8.17133 0.02245 0.06363 ++ {0.0} {} {} 7.69231 0.14036 0.20051 ++ {0.0} {} {} 117.31050 0.60672 1.20664 ++ {0.0} {} 0.0 0.3399 0 {} 0 0 0 214 {} 8.17169 0.03198 0.07797 ++ {0.0} {} {} 4.52579 0.14591 0.20844 ++ {0.0} {} {} 117.31431 0.64432 1.22310 ++ {0.0} {} 0.0 0.2770 0 {} 0 0 0 215 {} 8.17179 0.03258 0.06279 ++ {0.0} {} {} 4.25192 0.17055 0.24365 ++ {0.0} {} {} 117.31208 0.66529 1.13208 ++ {0.0} {} 0.0 0.1437 0 {} 0 0 0 216 {} 8.17148 0.02160 0.04428 ++ {0.0} {} {} 3.86053 0.11256 0.26317 ++ {0.0} {} {} 117.30905 0.63475 1.13351 ++ {0.0} {} 0.0 0.1601 0 {} 0 0 0 217 {} 8.17167 0.03202 0.08109 ++ {0.0} {} {} 3.25824 0.08310 0.26118 ++ {0.0} {} {} 117.31530 0.67104 1.47621 ++ {0.0} {} 0.0 0.3881 0 {} 0 0 0 218 {} 8.17147 0.02239 0.05705 ++ {0.0} {} {} 2.09740 0.21669 0.30956 ++ {0.0} {} {} 117.31503 0.64380 1.32386 ++ {0.0} {} 0.0 0.3149 0 {} 0 0 0 219 {} 8.17081 0.02106 0.03712 ++ {0.0} {} {} 1.80214 0.06109 0.23178 ++ {0.0} {} {} 117.31380 0.60985 0.98559 ++ {0.0} {} 0.0 0.0883 0 {} 0 0 0 220 {} 8.17012 0.02164 0.01310 ++ {0.0} {} {} 0.95275 0.14057 0.08522 ++ {0.0} {} {} 117.31897 0.64146 0.38889 ++ {0.0} {} 0.0 0.0292 0 {} 0 0 0 221 {} 8.40846 0.02978 0.11368 ++ {0.0} {} {} 8.40967 0.10022 0.29587 ++ {0.0} {} {} 116.75258 0.61153 1.89720 ++ {0.0} {} 0.0 3.0490 0 {} 0 0 0 222 {} 8.40860 0.02981 0.06413 ++ {0.0} {} {} 7.85551 0.10464 0.27871 ++ {0.0} {} {} 116.75243 0.60781 1.19438 ++ {0.0} {} 0.0 0.3394 0 {} 0 0 0 223 {} 8.40840 0.03006 0.05703 ++ {0.0} {} {} 7.13642 0.14087 0.23996 ++ {0.0} {} {} 116.74991 0.61011 1.08005 ++ {0.0} {} 0.0 0.1347 0 {} 0 0 0 224 {} 8.40826 0.02959 0.06398 ++ {0.0} {} {} 4.36945 0.13335 0.29963 ++ {0.0} {} {} 116.75494 0.59678 1.28883 ++ {0.0} {} 0.0 0.3742 0 {} 0 0 0 225 {} 8.40817 0.02976 0.05286 ++ {0.0} {} {} 3.80159 0.12367 0.17667 ++ {0.0} {} {} 116.75008 0.60933 1.08090 ++ {0.0} {} 0.0 0.1297 0 {} 0 0 0 226 {} 8.40832 0.02978 0.07951 ++ {0.0} {} {} 3.14995 0.18758 0.26798 ++ {0.0} {} {} 116.75491 0.60167 1.33991 ++ {0.0} {} 0.0 0.8324 0 {} 0 0 0 227 {} 8.40842 0.02784 0.03591 ++ {0.0} {} {} 2.30871 0.12452 0.38413 ++ {0.0} {} {} 116.77937 0.49325 0.65302 ++ {0.0} {} 0.0 0.0602 0 {} 0 0 0 228 {} 8.40737 0.02623 0.04940 ++ {0.0} {} {} 1.92826 0.11707 0.36794 ++ {0.0} {} {} 116.75871 0.54014 0.99114 ++ {0.0} {} 0.0 0.1158 0 {} 0 0 0 229 {} 8.21858 0.02477 0.06161 ++ {0.0} {} {} 8.22198 0.15072 0.26828 ++ {0.0} {} {} 115.45917 0.54315 1.14195 ++ {0.0} {} 0.0 0.4785 0 {} 0 0 0 230 {} 8.21879 0.02409 0.03388 ++ {0.0} {} {} 7.96963 0.06143 0.19875 ++ {0.0} {} {} 115.45337 0.52698 0.79890 ++ {0.0} {} 0.0 0.0710 0 {} 0 0 0 231 {} 8.21860 0.02503 0.05569 ++ {0.0} {} {} 4.25766 0.14753 0.21075 ++ {0.0} {} {} 115.45312 0.54372 1.07093 ++ {0.0} {} 0.0 0.1791 0 {} 0 0 0 232 {} 8.21854 0.02397 0.05066 ++ {0.0} {} {} 3.98530 0.13060 0.26705 ++ {0.0} {} {} 115.45731 0.55922 1.10448 ++ {0.0} {} 0.0 0.2111 0 {} 0 0 0 233 {} 8.21858 0.02278 0.04015 ++ {0.0} {} {} 1.92320 0.13788 0.19698 ++ {0.0} {} {} 115.45583 0.57207 1.05794 ++ {0.0} {} 0.0 0.1305 0 {} 0 0 0 234 {} 7.37826 0.02455 0.08129 ++ {0.0} {} {} 7.37855 0.09773 0.28763 ++ {0.0} {} {} 111.07363 0.47226 1.31547 ++ {0.0} {} 0.0 8.8240 0 {} 0 0 0 235 {} 6.76700 0.02368 0.06156 ++ {0.0} {} {} 7.38367 0.10126 0.28122 ++ {0.0} {} {} 111.10515 0.65939 1.99002 ++ {0.0} {} 0.0 3.1801 0 {} 0 0 0 236 {} 7.37853 0.02299 0.07910 ++ {0.0} {} {} 6.79070 0.17766 0.25380 ++ {0.0} {} {} 111.08475 0.45789 1.26645 ++ {0.0} {} 0.0 3.6871 0 {} 0 0 0 237 {} 6.76727 0.02479 0.06222 ++ {0.0} {} {} 6.77029 0.10623 0.27485 ++ {0.0} {} {} 111.06358 0.53669 0.76670 ++ {0.0} {} 0.0 8.4395 0 {} 0 0 0 238 {} 7.37173 0.03350 0.05303 ++ {0.0} {} {} 4.09061 0.16226 0.23181 ++ {0.0} {} {} 111.03400 0.44690 0.82896 ++ {0.0} {} 0.0 0.1139 0 {} 0 0 0 239 {} 6.76582 0.01595 0.01333 ++ {0.0} {} {} 4.09417 0.23663 0.19281 ++ {0.0} {} {} 111.13843 0.50891 0.42546 ++ {0.0} {} 0.0 0.0350 0 {} 0 0 0 240 {} 7.37227 0.03307 0.06867 ++ {0.0} {} {} 2.33923 0.14466 0.20665 ++ {0.0} {} {} 111.03638 0.45354 1.18918 ++ {0.0} {} 0.0 0.3936 0 {} 0 0 0 241 {} 6.76635 0.01833 0.03548 ++ {0.0} {} {} 2.31921 0.28873 0.41247 ++ {0.0} {} {} 111.10408 0.68685 1.31194 ++ {0.0} {} 0.0 0.0944 0 {} 0 0 0 242 {} 7.37764 0.02876 0.05728 ++ {0.0} {} {} 2.12466 0.15880 0.22686 ++ {0.0} {} {} 111.06914 0.45484 1.07050 ++ {0.0} {} 0.0 0.2097 0 {} 0 0 0 243 {} 7.38220 0.01620 0.02832 ++ {0.0} {} {} 0.71924 0.12004 0.21958 ++ {0.0} {} {} 111.10809 0.48068 0.76919 ++ {0.0} {} 0.0 0.0807 0 {} 0 0 0 244 {} 6.76653 0.01734 0.02706 ++ {0.0} {} {} 0.72390 0.11130 0.15795 ++ {0.0} {} {} 111.10627 0.44131 0.61005 ++ {0.0} {} 0.0 0.0659 0 {} 0 0 0 245 {} 7.38299 0.01616 0.01811 ++ {0.0} {} {} 0.36950 0.11648 0.13054 ++ {0.0} {} {} 111.12228 0.46500 0.52116 ++ {0.0} {} 0.0 0.0463 0 {} 0 0 0 246 {} 6.76659 0.01878 0.02930 ++ {0.0} {} {} 0.36340 0.09889 0.13190 ++ {0.0} {} {} 111.10468 0.49282 0.65736 ++ {0.0} {} 0.0 0.0611 0 {} 0 0 0 247 {} 7.36783 0.02057 0.01055 ++ {0.0} {} {} 4.39872 0.23068 0.08171 ++ {0.0} {} {} 111.00909 0.41800 0.21429 ++ {0.0} {} 0.0 0.0274 0 {} 0 0 0 248 {} 8.56796 0.03446 0.02567 ++ {0.0} {} {} 4.32872 0.12559 0.08268 ++ {0.0} {} {} 110.84087 0.59632 0.39256 ++ {0.0} {} 0.0 0.0303 0 {} 0 0 0 249 {} 8.57998 0.03114 0.01669 ++ {0.0} {} {} 3.97569 0.11763 0.06190 ++ {0.0} {} {} 110.80006 0.52842 0.27807 ++ {0.0} {} 0.0 0.0276 0 {} 0 0 0 250 {} 7.36577 0.02657 0.02394 ++ {0.0} {} {} 3.15947 0.11381 0.09877 ++ {0.0} {} {} 110.95776 0.44035 0.38215 ++ {0.0} {} 0.0 0.0360 0 {} 0 0 0 251 {} 8.43891 0.03781 0.04443 ++ {0.0} {} {} 4.39027 0.14966 0.21380 ++ {0.0} {} {} 109.53323 0.47930 0.55632 ++ {0.0} {} 0.0 0.0485 0 {} 0 0 0 252 {} 8.43774 0.03843 0.03947 ++ {0.0} {} {} 4.01563 0.13380 0.13834 ++ {0.0} {} {} 109.53294 0.47657 0.49277 ++ {0.0} {} 0.0 0.0421 0 {} 0 0 0 253 {} 8.43929 0.03575 0.02132 ++ {0.0} {} {} 2.23830 0.07857 0.08372 ++ {0.0} {} {} 109.53660 0.45732 0.22006 ++ {0.0} {} 0.0 0.0268 0 {} 0 0 0 254 {} 8.44062 0.03067 0.00962 ++ {0.0} {} {} 1.99159 0.10336 0.06526 ++ {0.0} {} {} 109.48906 0.40544 0.09717 ++ {0.0} {} 0.0 0.0231 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 HN . . 2404.53930664 Hz . . . 4.78299999237 . . 30870 6 2 . . C 13 C-aliphatic . . 9649.31054687 Hz . . . 46.0750007629 . . 30870 6 3 . . N 15 N . . 1800 Hz . . . 120.15599823 . . 30870 6 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_7 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_7 _Spectral_peak_list.Entry_ID 30870 _Spectral_peak_list.ID 7 _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 5 _Spectral_peak_list.Experiment_name '3D HNCACB' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _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 'Cb intensities <0' _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; label dataset sw sf H1 H N15 20191119_JR21_ghc_co_nh_S.nv 2404.53930664 6595.65917969 1800.0 599.607971191 599.607971191 60.7649993896 H1.L H1.P H1.W H1.B H1.E H1.J H1.U H.L H.P H.W H.B H.E H.J H.U N15.L N15.P N15.W N15.B N15.E N15.J N15.U vol int stat comment flag0 flag8 flag9 0 {} 7.91022 0.03376 0.07809 ++ {0.0} {} {56.HA} 4.30870 0.11060 0.32178 ++ {0.0} {} {} 127.49085 0.71581 1.73254 ++ {0.0} {} 0.0 1.7841 0 {} 0 0 0 1 {} 7.91132 0.03374 0.10836 ++ {0.0} {} {56.HG2} 2.28756 0.17278 0.25340 ++ {0.0} {} {} 127.49216 0.71805 1.83555 ++ {0.0} {} 0.0 5.1753 0 {} 0 0 0 2 {} 8.36429 0.03931 0.04446 ++ {0.0} {} {} 3.19191 0.11512 0.13267 ++ {0.0} {} {} 124.15681 0.62737 0.72303 ++ {0.0} {} 0.0 0.1213 0 {} 0 0 0 3 {} 8.36609 0.03902 0.02025 ++ {0.0} {} {} 1.62922 0.08013 0.06712 ++ {0.0} {} {} 124.15487 0.65480 0.24931 ++ {0.0} {} 0.0 0.0635 0 {} 0 0 0 4 {} 8.73585 0.04354 0.00036 ++ {0.0} {} {} 3.19867 0.11088 0.00069 ++ {0.0} {} {} 123.78945 0.75607 0.00470 ++ {0.0} {} 0.0 0.0516 0 {} 0 0 0 5 {} 8.68193 0.05315 0.02907 ++ {0.0} {} {} 2.92191 0.11530 0.05546 ++ {0.0} {} {} 123.41769 0.89428 0.43064 ++ {0.0} {} 0.0 0.0677 0 {} 0 0 0 6 {} 8.42269 0.04399 0.11914 ++ {0.0} {} {13.HA} 4.26668 0.12486 0.29635 ++ {0.0} {} {} 122.99609 0.73673 1.61403 ++ {0.0} {} 0.0 0.5871 0 {} 0 0 0 7 {} 8.42028 0.03979 0.08360 ++ {0.0} {} {13.HG2} 1.69503 0.27059 0.38655 ++ {0.0} {} {} 122.98972 0.78267 1.50726 ++ {0.0} {} 0.0 0.3104 0 {} 0 0 0 8 {} 8.66566 0.06843 0.07180 ++ {0.0} {} {} 4.49311 0.11911 0.12378 ++ {0.0} {} {} 122.38763 0.71093 0.73879 ++ {0.0} {} 0.0 0.1070 0 {} 0 0 0 9 {} 7.95883 0.03979 0.04205 ++ {0.0} {} {16.HA} 4.16729 0.13256 0.14083 ++ {0.0} {} {} 122.47989 0.81262 0.86332 ++ {0.0} {} 0.0 0.1096 0 {} 0 0 0 10 {} 7.96142 0.04077 0.07991 ++ {0.0} {} {16.HD2} 3.22969 0.15542 0.29624 ++ {0.0} {} {} 122.46425 0.82524 1.51700 ++ {0.0} {} 0.0 0.3928 0 {} 0 0 0 11 {} 8.66822 0.07285 0.13073 ++ {0.0} {} {} 2.57271 0.12179 0.20181 ++ {0.0} {} {} 122.37194 0.66202 1.11298 ++ {0.0} {} 0.0 0.2515 0 {} 0 0 0 12 {} 7.96360 0.03824 0.04508 ++ {0.0} {} {16.HB2} 2.00115 0.06038 0.15756 ++ {0.0} {} {} 122.47180 0.83840 1.00754 ++ {0.0} {} 0.0 0.1263 0 {} 0 0 0 13 {} 7.96136 0.03697 0.04306 ++ {0.0} {} {16.HG2} 1.71169 0.10193 0.26197 ++ {0.0} {} {} 122.46923 0.85599 1.05347 ++ {0.0} {} 0.0 0.1299 0 {} 0 0 0 14 {} 8.28232 0.03232 0.10506 ++ {0.0} {} {55.HA} 4.26981 0.14587 0.32416 ++ {0.0} {} {} 121.95757 0.77937 1.74885 ++ {0.0} {} 0.0 1.2575 0 {} 0 0 0 15 {} 8.28462 0.03794 0.19248 ++ {0.0} {} {55.HB2} 2.28941 0.15418 0.32284 ++ {0.0} {} {} 121.95288 0.76319 1.84383 ++ {0.0} {} 0.0 2.8192 0 {} 0 0 0 16 {} 8.33751 0.04030 0.05282 ++ {0.0} {} {43.HB3} 3.21586 0.23307 0.29689 ++ {0.0} {} {} 121.49239 0.75658 1.01083 ++ {0.0} {} 0.0 0.1548 0 {} 0 0 0 17 {} 8.06581 0.04202 0.10274 ++ {0.0} {} {18.HG2} 2.38225 0.15809 0.30748 ++ {0.0} {} {} 121.36423 0.62799 1.44478 ++ {0.0} {} 0.0 0.5475 0 {} 0 0 0 18 {} 8.47558 0.04736 0.06766 ++ {0.0} {} {} 1.61561 0.16029 0.22500 ++ {0.0} {} {} 121.55605 1.06161 1.42918 ++ {0.0} {} 0.0 0.1549 0 {} 0 0 0 19 {} 8.47498 0.03996 0.04873 ++ {0.0} {} {} 0.89139 0.13127 0.15614 ++ {0.0} {} {} 121.61131 0.72753 0.86538 ++ {0.0} {} 0.0 0.1268 0 {} 0 0 0 20 {} 8.35138 0.03613 0.11272 ++ {0.0} {} {54.HA} 4.58917 0.12405 0.32361 ++ {0.0} {} {} 121.22064 0.66929 1.92213 ++ {0.0} {} 0.0 2.2594 0 {} 0 0 0 21 {} 8.51610 0.04725 0.10347 ++ {0.0} {} {4.HA} 4.34756 0.13639 0.28532 ++ {0.0} {} {} 121.21006 0.71988 1.41840 ++ {0.0} {} 0.0 0.3124 0 {} 0 0 0 22 {} 8.10972 0.04444 0.13408 ++ {0.0} {} {19.HA} 4.41558 0.12621 0.32685 ++ {0.0} {} {} 121.05532 0.81658 1.67650 ++ {0.0} {} 0.0 0.9215 0 {} 0 0 0 23 {} 8.39682 0.03923 0.13189 ++ {0.0} {} {} 4.20225 0.15046 0.21494 ++ {0.0} {} {} 121.01881 0.77484 1.86252 ++ {0.0} {} 0.0 1.1218 0 {} 0 0 0 24 {} 8.10786 0.05255 0.15453 ++ {0.0} {} {} 3.99031 0.13247 0.28648 ++ {0.0} {} {} 121.05013 0.86390 1.62127 ++ {0.0} {} 0.0 0.4144 0 {} 0 0 0 25 {} 8.48673 0.04035 0.07839 ++ {0.0} {} {12.HD2} 3.71842 0.12629 0.25765 ++ {0.0} {} {} 121.16142 0.72820 1.40674 ++ {0.0} {} 0.0 0.2943 0 {} 0 0 0 26 {} 8.34981 0.03741 0.11272 ++ {0.0} {} {54.HG2} 2.67307 0.14807 0.21152 ++ {0.0} {} {} 121.21906 0.66517 1.83286 ++ {0.0} {} 0.0 1.2650 0 {} 0 0 0 27 {} 8.39879 0.03952 0.28063 ++ {0.0} {} {35.HB2} 2.26151 0.13809 0.19727 ++ {0.0} {} {} 121.04472 0.88573 3.27771 ++ {0.0} {} 0.0 2.7503 0 {} 0 0 0 28 {} 8.21989 0.03911 0.19454 ++ {0.0} {} {24.HG2} 2.32339 0.12077 0.29729 ++ {0.0} {} {} 121.16559 0.72366 1.70283 ++ {0.0} {} 0.0 0.6861 0 {} 0 0 0 29 {} 8.51834 0.04075 0.11169 ++ {0.0} {} {4.HB2} 1.85526 0.17804 0.25434 ++ {0.0} {} {} 121.15128 0.74056 1.61399 ++ {0.0} {} 0.0 0.5598 0 {} 0 0 0 30 {} 8.26745 0.03605 0.09769 ++ {0.0} {} {5.HA} 4.60752 0.15639 0.32952 ++ {0.0} {} {} 120.75132 0.95840 2.46605 ++ {0.0} {} 0.0 2.6699 0 {} 0 0 0 31 {} 8.15491 0.03754 0.09478 ++ {0.0} {} {38.HA} 4.33450 0.13510 0.32266 ++ {0.0} {} {} 120.59963 0.86571 1.70975 ++ {0.0} {} 0.0 0.8656 0 {} 0 0 0 32 {} 7.75462 0.04006 0.04687 ++ {0.0} {} {46.HA} 4.18044 0.16411 0.20386 ++ {0.0} {} {} 120.75957 0.64359 0.78727 ++ {0.0} {} 0.0 0.1323 0 {} 0 0 0 33 {} 8.67791 0.04107 0.06787 ++ {0.0} {} {49.HA} 4.05917 0.12052 0.22555 ++ {0.0} {} {} 120.75374 0.64893 1.19191 ++ {0.0} {} 0.0 0.2967 0 {} 0 0 0 34 {} 8.48619 0.04043 0.06732 ++ {0.0} {} {12.HA} 4.41796 0.13872 0.19817 ++ {0.0} {} {} 120.61195 0.85235 1.39627 ++ {0.0} {} 0.0 0.2371 0 {} 0 0 0 35 {} 8.24584 0.05010 0.35240 ++ {0.0} {} {3.HA2} 3.98403 0.12196 0.33144 ++ {0.0} {} {} 120.63319 0.85467 1.78209 ++ {0.0} {} 0.0 2.1362 0 {} 0 0 0 36 {} 8.16197 0.03682 0.05260 ++ {0.0} {} {} 4.01768 0.18085 0.29493 ++ {0.0} {} {} 120.38976 0.86040 1.66210 ++ {0.0} {} 0.0 0.2355 0 {} 0 0 0 37 {} 8.52001 0.04236 0.10482 ++ {0.0} {} {4.HD2} 3.20507 0.11751 0.30867 ++ {0.0} {} {} 120.75123 0.65961 1.71160 ++ {0.0} {} 0.0 0.9407 0 {} 0 0 0 38 {} 8.07741 0.03947 0.07346 ++ {0.0} {} {19.HB2} 3.19387 0.12176 0.25456 ++ {0.0} {} {} 120.83274 0.64878 1.44558 ++ {0.0} {} 0.0 0.3711 0 {} 0 0 0 39 {} 7.75485 0.03903 0.06466 ++ {0.0} {} {46.HD2} 3.24384 0.15538 0.27892 ++ {0.0} {} {} 120.75748 0.63899 1.16487 ++ {0.0} {} 0.0 0.2997 0 {} 0 0 0 40 {} 8.48613 0.03775 0.06193 ++ {0.0} {} {12.HB2} 1.99592 0.07420 0.25658 ++ {0.0} {} {} 120.60559 0.83167 1.38256 ++ {0.0} {} 0.0 0.2466 0 {} 0 0 0 41 {} 8.20597 0.03695 0.09769 ++ {0.0} {} {7.HB2} 2.65334 0.14839 0.36699 ++ {0.0} {} {} 120.75168 0.68518 1.92820 ++ {0.0} {} 0.0 1.5098 0 {} 0 0 0 42 {} 8.15681 0.03725 0.11357 ++ {0.0} {} {38.HG2} 2.44283 0.17864 0.33482 ++ {0.0} {} {} 120.54142 0.73087 1.81397 ++ {0.0} {} 0.0 2.5203 0 {} 0 0 0 43 {} 8.67824 0.03792 0.08654 ++ {0.0} {} {49.HG2} 2.34945 0.14480 0.34117 ++ {0.0} {} {} 120.76463 0.64627 1.65126 ++ {0.0} {} 0.0 0.7586 0 {} 0 0 0 44 {} 7.75504 0.04144 0.04840 ++ {0.0} {} {46.HB2} 2.01304 0.06208 0.16785 ++ {0.0} {} {} 120.74232 0.66388 0.81596 ++ {0.0} {} 0.0 0.1333 0 {} 0 0 0 45 {} 7.75628 0.03858 0.05012 ++ {0.0} {} {46.HG2} 1.78768 0.06985 0.22651 ++ {0.0} {} {} 120.73729 0.70462 0.97230 ++ {0.0} {} 0.0 0.1658 0 {} 0 0 0 46 {} 8.51877 0.04185 0.08251 ++ {0.0} {} {4.HG2} 1.63335 0.06468 0.30651 ++ {0.0} {} {} 120.74612 0.66786 1.49387 ++ {0.0} {} 0.0 0.4438 0 {} 0 0 0 47 {} 8.20859 0.03732 0.10858 ++ {0.0} {} {7.HA} 4.58634 0.12697 0.32125 ++ {0.0} {} {} 120.06868 0.79043 1.87094 ++ {0.0} {} 0.0 2.5764 0 {} 0 0 0 48 {} 7.97199 0.03681 0.06976 ++ {0.0} {} {51.HA} 4.22906 0.11716 0.24152 ++ {0.0} {} {} 120.28955 0.66695 1.46323 ++ {0.0} {} 0.0 0.3850 0 {} 0 0 0 49 {} 8.39060 0.03488 0.04164 ++ {0.0} {} {} 3.51555 0.13528 0.17324 ++ {0.0} {} {} 120.31772 0.64222 0.82246 ++ {0.0} {} 0.0 0.1429 0 {} 0 0 0 50 {} 8.34993 0.04087 0.04840 ++ {0.0} {} {10.HG2} 2.36545 0.13053 0.16127 ++ {0.0} {} {} 120.36181 0.62079 0.76698 ++ {0.0} {} 0.0 0.1344 0 {} 0 0 0 51 {} 8.20597 0.03734 0.12652 ++ {0.0} {} {} 2.65578 0.14344 0.20491 ++ {0.0} {} {} 120.09296 0.80517 1.86313 ++ {0.0} {} 0.0 1.8277 0 {} 0 0 0 52 {} 7.97794 0.04471 0.08983 ++ {0.0} {} {51.HG2} 2.46130 0.12273 0.38572 ++ {0.0} {} {} 120.21560 0.94304 1.76301 ++ {0.0} {} 0.0 0.8151 0 {} 0 0 0 53 {} 8.34854 0.04341 0.13404 ++ {0.0} {} {10.HA} 4.21361 0.12231 0.32661 ++ {0.0} {} {} 119.83036 0.65550 1.57028 ++ {0.0} {} 0.0 0.5938 0 {} 0 0 0 54 {} 7.99749 0.04051 0.07459 ++ {0.0} {} {48.HA} 4.08889 0.16502 0.31454 ++ {0.0} {} {} 119.72902 0.80661 1.52486 ++ {0.0} {} 0.0 0.3643 0 {} 0 0 0 55 {} 7.88422 0.03690 0.04906 ++ {0.0} {} {23.HA} 3.80616 0.12312 0.16670 ++ {0.0} {} {} 119.51057 0.61639 0.83455 ++ {0.0} {} 0.0 0.1591 0 {} 0 0 0 56 {} 7.69667 0.03004 0.02824 ++ {0.0} {} {41.HA} 3.84631 0.15461 0.14536 ++ {0.0} {} {} 119.86015 0.59945 0.56362 ++ {0.0} {} 0.0 0.0970 0 {} 0 0 0 57 {} 8.30560 0.04557 0.06510 ++ {0.0} {} {} 2.36076 0.14286 0.31331 ++ {0.0} {} {} 119.61389 0.93887 1.82282 ++ {0.0} {} 0.0 0.4659 0 {} 0 0 0 58 {} 8.34994 0.04035 0.09362 ++ {0.0} {} {10.HB2} 2.23707 0.12927 0.30697 ++ {0.0} {} {} 119.83229 0.64766 1.80263 ++ {0.0} {} 0.0 1.6112 0 {} 0 0 0 59 {} 7.88489 0.03621 0.05142 ++ {0.0} {} {23.HB2} 1.97841 0.11765 0.33916 ++ {0.0} {} {} 119.49602 0.61507 0.92667 ++ {0.0} {} 0.0 0.2083 0 {} 0 0 0 60 {} 7.70274 0.04265 0.01676 ++ {0.0} {} {41.HB} 1.93158 0.15824 0.04682 ++ {0.0} {} {} 119.86552 0.60271 0.17834 ++ {0.0} {} 0.0 0.0603 0 {} 0 0 0 61 {} 7.69994 0.04013 0.04926 ++ {0.0} {} {41.HD11} 0.92413 0.17241 0.22419 ++ {0.0} {} {} 119.84293 0.60785 0.76574 ++ {0.0} {} 0.0 0.1389 0 {} 0 0 0 62 {} 8.17734 0.03565 0.07621 ++ {0.0} {} {6.HA} 4.61422 0.15545 0.32775 ++ {0.0} {} {} 119.44191 0.61738 1.78210 ++ {0.0} {} 0.0 2.1871 0 {} 0 0 0 63 {} 8.10032 0.03952 0.06570 ++ {0.0} {} {45.HA} 4.11009 0.14380 0.26521 ++ {0.0} {} {} 119.22581 0.98768 1.64706 ++ {0.0} {} 0.0 0.2671 0 {} 0 0 0 64 {} 8.27512 0.04198 0.06901 ++ {0.0} {} {34.HD2} 3.23643 0.17116 0.29169 ++ {0.0} {} {} 119.24297 0.83861 1.47720 ++ {0.0} {} 0.0 0.3284 0 {} 0 0 0 65 {} 7.85707 0.03972 0.06111 ++ {0.0} {} {26.HB2} 3.13621 0.15693 0.28462 ++ {0.0} {} {} 119.24365 0.83486 1.39180 ++ {0.0} {} 0.0 0.2550 0 {} 0 0 0 66 {} 8.10013 0.03707 0.05126 ++ {0.0} {} {45.HG2} 2.58717 0.10407 0.15593 ++ {0.0} {} {} 119.16476 0.69737 1.07761 ++ {0.0} {} 0.0 0.2049 0 {} 0 0 0 67 {} 8.10329 0.03956 0.06348 ++ {0.0} {} {45.HB2} 2.26215 0.11993 0.25959 ++ {0.0} {} {} 119.36021 0.83355 1.63967 ++ {0.0} {} 0.0 0.3343 0 {} 0 0 0 68 {} 8.27454 0.04033 0.04470 ++ {0.0} {} {34.HG2} 1.71058 0.12057 0.29016 ++ {0.0} {} {} 119.21682 0.84241 0.97441 ++ {0.0} {} 0.0 0.1211 0 {} 0 0 0 69 {} 8.32363 0.03387 0.05673 ++ {0.0} {} {50.HA} 4.51265 0.13872 0.28591 ++ {0.0} {} {} 118.93405 0.60283 1.09532 ++ {0.0} {} 0.0 0.3669 0 {} 0 0 0 70 {} 7.86393 0.03724 0.04677 ++ {0.0} {} {47.HA} 4.41740 0.13575 0.17606 ++ {0.0} {} {} 118.76327 1.35603 1.60719 ++ {0.0} {} 0.0 0.1462 0 {} 0 0 0 71 {} 8.41775 0.03572 0.03064 ++ {0.0} {} {22.HA} 4.31980 0.13901 0.11287 ++ {0.0} {} {} 118.78266 0.89027 0.72155 ++ {0.0} {} 0.0 0.0865 0 {} 0 0 0 72 {} 8.41546 0.03829 0.05258 ++ {0.0} {} {22.HB3} 3.40032 0.07870 0.24129 ++ {0.0} {} {} 118.78905 0.77772 1.08075 ++ {0.0} {} 0.0 0.1646 0 {} 0 0 0 73 {} 8.41479 0.03681 0.04821 ++ {0.0} {} {22.HB2} 3.18105 0.05660 0.16843 ++ {0.0} {} {} 118.78679 0.81992 1.12880 ++ {0.0} {} 0.0 0.1588 0 {} 0 0 0 74 {} 8.32524 0.03762 0.05501 ++ {0.0} {} {50.HB2} 2.85701 0.05459 0.18086 ++ {0.0} {} {} 118.93857 0.60267 0.90759 ++ {0.0} {} 0.0 0.2080 0 {} 0 0 0 75 {} 8.32309 0.03131 0.04784 ++ {0.0} {} {50.HB3} 2.63865 0.18527 0.26467 ++ {0.0} {} {} 118.97502 0.58363 0.90301 ++ {0.0} {} 0.0 0.2270 0 {} 0 0 0 76 {} 8.04849 0.04176 0.05436 ++ {0.0} {} {37.HA} 4.11673 0.13013 0.17509 ++ {0.0} {} {} 118.10928 0.53304 0.71723 ++ {0.0} {} 0.0 0.1571 0 {} 0 0 0 77 {} 8.19016 0.05223 0.12305 ++ {0.0} {} {30.HA2} 3.90925 0.14237 0.31573 ++ {0.0} {} {} 118.28611 0.81148 1.59995 ++ {0.0} {} 0.0 0.6500 0 {} 0 0 0 78 {} 8.15821 0.03623 0.05163 ++ {0.0} {} {20.HD2} 3.25706 0.13367 0.21240 ++ {0.0} {} {} 118.38176 0.94759 1.46190 ++ {0.0} {} 0.0 0.2020 0 {} 0 0 0 79 {} 8.04957 0.03842 0.05833 ++ {0.0} {} {37.HB2} 2.50853 0.09937 0.32571 ++ {0.0} {} {} 118.09296 0.55080 0.89052 ++ {0.0} {} 0.0 0.2682 0 {} 0 0 0 80 {} 8.15687 0.03961 0.04212 ++ {0.0} {} {20.HB2} 1.98412 0.23326 0.25799 ++ {0.0} {} {} 118.34315 0.77773 0.85964 ++ {0.0} {} 0.0 0.1149 0 {} 0 0 0 81 {} 7.86673 0.03233 0.03911 ++ {0.0} {} {47.HB2} 1.49736 0.20078 0.32484 ++ {0.0} {} {} 118.49117 0.57840 0.73418 ++ {0.0} {} 0.0 0.1407 0 {} 0 0 0 82 {} 7.86872 0.03977 0.04707 ++ {0.0} {} {47.HD21} 0.72703 0.12894 0.15561 ++ {0.0} {} {} 118.46822 0.62126 0.74978 ++ {0.0} {} 0.0 0.1296 0 {} 0 0 0 83 {} 7.87013 0.03936 0.04846 ++ {0.0} {} {47.HD11} 0.38509 0.13106 0.17015 ++ {0.0} {} {} 118.43384 0.66338 0.86119 ++ {0.0} {} 0.0 0.1465 0 {} 0 0 0 84 {} 8.51722 0.03805 0.05505 ++ {0.0} {} {15.HA} 4.35959 0.15675 0.24231 ++ {0.0} {} {} 117.80578 0.81258 1.28369 ++ {0.0} {} 0.0 0.1809 0 {} 0 0 0 85 {} 7.66821 0.03980 0.04043 ++ {0.0} {} {28.HA} 4.24900 0.14323 0.14610 ++ {0.0} {} {} 117.91052 0.72189 0.73632 ++ {0.0} {} 0.0 0.1049 0 {} 0 0 0 86 {} 7.62601 0.03431 0.03327 ++ {0.0} {} {27.HA} 4.10339 0.15650 0.14973 ++ {0.0} {} {} 117.79797 0.78263 0.74875 ++ {0.0} {} 0.0 0.0985 0 {} 0 0 0 87 {} 8.51477 0.03285 0.02957 ++ {0.0} {} {15.HD2} 3.95183 0.17726 0.15679 ++ {0.0} {} {} 117.84563 0.88293 0.78094 ++ {0.0} {} 0.0 0.0921 0 {} 0 0 0 88 {} 7.66270 0.03682 0.05260 ++ {0.0} {} {28.HD2} 3.11438 0.12607 0.26354 ++ {0.0} {} {} 117.87980 0.79217 1.48234 ++ {0.0} {} 0.0 0.3330 0 {} 0 0 0 89 {} 7.63163 0.04748 0.07683 ++ {0.0} {} {27.HD2} 3.16989 0.13764 0.28646 ++ {0.0} {} {} 117.81145 0.79927 1.48474 ++ {0.0} {} 0.0 0.3523 0 {} 0 0 0 90 {} 8.51707 0.03445 0.02924 ++ {0.0} {} {15.HB3} 2.42598 0.11551 0.09735 ++ {0.0} {} {} 117.83824 0.84954 0.71597 ++ {0.0} {} 0.0 0.0888 0 {} 0 0 0 91 {} 8.51800 0.03430 0.05848 ++ {0.0} {} {15.HG2} 2.02825 0.16678 0.30425 ++ {0.0} {} {} 117.82520 0.84421 1.57346 ++ {0.0} {} 0.0 0.2707 0 {} 0 0 0 92 {} 7.62956 0.04942 0.06019 ++ {0.0} {} {27.HB2} 1.90964 0.06483 0.18213 ++ {0.0} {} {} 117.81004 0.82535 1.07018 ++ {0.0} {} 0.0 0.1422 0 {} 0 0 0 93 {} 7.66418 0.05130 0.07224 ++ {0.0} {} {28.HG2} 1.70593 0.10718 0.30321 ++ {0.0} {} {} 117.88481 0.79893 1.18355 ++ {0.0} {} 0.0 0.1715 0 {} 0 0 0 94 {} 8.16871 0.03284 0.02210 ++ {0.0} {} {42.HA} 4.26544 0.16690 0.10907 ++ {0.0} {} {} 117.29073 0.69663 0.45484 ++ {0.0} {} 0.0 0.0763 0 {} 0 0 0 95 {} 8.40327 0.04010 0.07460 ++ {0.0} {} {25.HB2} 3.24084 0.11758 0.35958 ++ {0.0} {} {} 116.74892 0.58734 0.98840 ++ {0.0} {} 0.0 0.3241 0 {} 0 0 0 96 {} 8.21199 0.03947 0.04707 ++ {0.0} {} {52.HA} 4.25275 0.14116 0.17473 ++ {0.0} {} {} 115.46361 0.75777 0.93804 ++ {0.0} {} 0.0 0.1349 0 {} 0 0 0 97 {} 8.21393 0.03961 0.08969 ++ {0.0} {} {52.HD3} 3.23292 0.15856 0.30371 ++ {0.0} {} {} 115.45977 0.72506 1.61204 ++ {0.0} {} 0.0 0.5977 0 {} 0 0 0 98 {} 8.21315 0.04136 0.06436 ++ {0.0} {} {52.HB2} 1.91027 0.06543 0.26281 ++ {0.0} {} {} 115.46046 0.73237 1.30005 ++ {0.0} {} 0.0 0.2518 0 {} 0 0 0 99 {} 7.72998 0.02673 0.02765 ++ {0.0} {} {} 2.71259 0.24481 0.25109 ++ {0.0} {} {} 113.32468 0.85736 0.89244 ++ {0.0} {} 0.0 0.1072 0 {} 0 0 0 100 {} 6.96022 0.02857 0.02372 ++ {0.0} {} {} 2.71488 0.24274 0.21566 ++ {0.0} {} {} 113.19512 1.06749 0.90243 ++ {0.0} {} 0.0 0.0874 0 {} 0 0 0 101 {} 7.57886 0.03976 0.05499 ++ {0.0} {} {} 4.33072 0.13316 0.16658 ++ {0.0} {} {} 112.10789 0.80264 1.00413 ++ {0.0} {} 0.0 0.1372 0 {} 0 0 0 102 {} 6.87077 0.03571 0.04779 ++ {0.0} {} {} 4.32593 0.12083 0.16546 ++ {0.0} {} {} 111.93159 0.89114 1.29028 ++ {0.0} {} 0.0 0.1630 0 {} 0 0 0 103 {} 7.55390 0.03839 0.03203 ++ {0.0} {} {} 4.02935 0.13901 0.11824 ++ {0.0} {} {} 111.94304 0.94912 0.80730 ++ {0.0} {} 0.0 0.0894 0 {} 0 0 0 104 {} 6.90356 0.03878 0.03433 ++ {0.0} {} {} 4.04175 0.12278 0.01800 ++ {0.0} {} {} 111.79298 1.08395 0.15858 ++ {0.0} {} 0.0 0.0555 0 {} 0 0 0 105 {} 7.56851 0.04822 0.06775 ++ {0.0} {} {} 2.41161 0.12968 0.18407 ++ {0.0} {} {} 111.98964 0.93081 1.44651 ++ {0.0} {} 0.0 0.1770 0 {} 0 0 0 106 {} 6.86976 0.04771 0.06799 ++ {0.0} {} {} 2.40356 0.13573 0.23290 ++ {0.0} {} {} 111.79484 1.20307 1.71642 ++ {0.0} {} 0.0 0.2229 0 {} 0 0 0 107 {} 7.47561 0.02523 0.01499 ++ {0.0} {} {} 2.29528 0.09858 0.10816 ++ {0.0} {} {} 111.68550 0.83445 0.40183 ++ {0.0} {} 0.0 0.0677 0 {} 0 0 0 108 {} 7.63332 0.03223 0.00148 ++ {0.0} {} {} 4.01820 0.14679 0.00443 ++ {0.0} {} {} 111.46844 0.88156 0.02658 ++ {0.0} {} 0.0 0.0522 0 {} 0 0 0 109 {} 8.56074 0.05436 0.05147 ++ {0.0} {} {2.HA} 4.34798 0.14485 0.13405 ++ {0.0} {} {} 110.77444 0.63110 0.58406 ++ {0.0} {} 0.0 0.0957 0 {} 0 0 0 110 {} 7.37579 0.02436 0.01187 ++ {0.0} {} {} 4.21344 0.13276 0.06278 ++ {0.0} {} {} 110.78036 0.79976 0.37819 ++ {0.0} {} 0.0 0.0673 0 {} 0 0 0 111 {} 8.56067 0.05583 0.11957 ++ {0.0} {} {2.HD2} 3.21680 0.12495 0.28445 ++ {0.0} {} {} 110.78674 0.64612 1.44447 ++ {0.0} {} 0.0 0.4980 0 {} 0 0 0 112 {} 8.56071 0.05450 0.08591 ++ {0.0} {} {2.HG2} 1.68252 0.12324 0.34231 ++ {0.0} {} {} 110.79358 0.65765 0.98682 ++ {0.0} {} 0.0 0.2058 0 {} 0 0 0 113 {} 8.42632 0.04821 0.05079 ++ {0.0} {} {31.HA} 4.40037 0.12268 0.12972 ++ {0.0} {} {} 109.46777 0.74130 0.78389 ++ {0.0} {} 0.0 0.1091 0 {} 0 0 0 114 {} 8.42602 0.05731 0.11728 ++ {0.0} {} {31.HG2} 2.29458 0.16628 0.29188 ++ {0.0} {} {} 109.46488 0.76543 1.48277 ++ {0.0} {} 0.0 0.3512 0 {} 0 0 0 115 {} 8.09459 0.07479 0.07203 ++ {0.0} {} {} 2.26613 0.12608 0.11994 ++ {0.0} {} {} 107.51926 0.60659 0.57707 ++ {0.0} {} 0.0 0.0980 0 {} 0 0 0 116 {10.H} 8.39682 0.03923 0.09872 ++ {0.0} {} {35.HA} 4.20225 0.15046 0.21494 ++ {0.0} {} {10.N} 121.01881 0.77484 1.73940 ++ {0.0} {} 0.0 1.1218 0 {} 0 0 0 117 {10.H} 8.33012 0.03232 0.07423 ++ {0.0} {} {1.HA} 4.26981 0.14587 0.30932 ++ {0.0} {} {10.N} 121.95757 0.77937 1.66958 ++ {0.0} {} 0.0 1.2575 0 {} 0 0 0 118 {10.H} 8.33445 0.03794 0.11559 ++ {0.0} {} {55.HG2} 2.28390 0.15418 0.31954 ++ {0.0} {} {10.N} 121.95288 0.76319 1.79859 ++ {0.0} {} 0.0 2.8192 0 {} 0 0 0 119 {10.H} 8.55953 0.05450 0.08603 ++ {0.0} {} {2.HB2} 1.88201 0.12324 0.34257 ++ {0.0} {} {10.N} 110.79358 0.65765 0.98805 ++ {0.0} {} 0.0 0.2058 0 {} 0 0 0 120 {10.H} 8.52637 0.04043 0.06740 ++ {0.0} {} {} 4.08169 0.13872 0.19817 ++ {0.0} {} {10.N} 120.61195 0.85235 1.39787 ++ {0.0} {} 0.0 0.2371 0 {} 0 0 0 121 {10.H} 8.48613 0.03775 0.06202 ++ {0.0} {} {12.HG2} 1.93322 0.07420 0.25674 ++ {0.0} {} {10.N} 120.60559 0.83167 1.38410 ++ {0.0} {} 0.0 0.2466 0 {} 0 0 0 122 {10.H} 8.52660 0.03775 0.06202 ++ {0.0} {} {} 2.61717 0.07420 0.25674 ++ {0.0} {} {10.N} 120.60559 0.83167 1.38410 ++ {0.0} {} 0.0 0.2466 0 {} 0 0 0 123 {} 8.39682 0.03923 0.13206 ++ {0.0} {} {} 4.20225 0.15046 0.21494 ++ {0.0} {} {} 121.01881 0.77484 1.86301 ++ {0.0} {} 0.0 1.1218 0 {} 0 0 0 124 {} 8.39682 0.03923 0.13206 ++ {0.0} {} {} 4.20225 0.15046 0.21494 ++ {0.0} {} {} 121.01881 0.77484 1.86301 ++ {0.0} {} 0.0 1.1218 0 {} 0 0 0 125 {} 8.39682 0.03923 0.13206 ++ {0.0} {} {} 4.20225 0.15046 0.21494 ++ {0.0} {} {} 121.01881 0.77484 1.86301 ++ {0.0} {} 0.0 1.1218 0 {} 0 0 0 126 {10.H} 8.39682 0.03923 0.13206 ++ {0.0} {} {} 4.20225 0.15046 0.21494 ++ {0.0} {} {10.N} 121.01881 0.77484 1.86301 ++ {0.0} {} 0.0 1.1218 0 {} 0 0 0 127 {10.H} 8.42127 0.04399 0.11929 ++ {0.0} {} {13.HB2} 1.74862 0.12486 0.29658 ++ {0.0} {} {10.N} 122.99609 0.73673 1.61473 ++ {0.0} {} 0.0 0.5871 0 {} 0 0 0 128 {10.H} 8.42034 0.04399 0.11929 ++ {0.0} {} {13.HD2} 3.17236 0.12486 0.29658 ++ {0.0} {} {10.N} 122.99609 0.73673 1.61473 ++ {0.0} {} 0.0 0.5871 0 {} 0 0 0 129 {10.H} 8.51820 0.03445 0.03712 ++ {0.0} {} {15.HB2} 2.08456 0.11551 0.12448 ++ {0.0} {} {10.N} 117.83824 0.84954 0.91560 ++ {0.0} {} 0.0 0.0888 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 HN . . 2404.53930664 Hz . . . 4.78299999237 . . 30870 7 2 . . C 13 C-aliphatic . . 9649.31054687 Hz . . . 45.0750007629 . . 30870 7 3 . . N 15 N . . 1800 Hz . . . 120.15599823 . . 30870 7 stop_ save_ ######################### # Spectral peak lists # ######################### 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_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_9 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_9 _Spectral_peak_list.Entry_ID 30870 _Spectral_peak_list.ID 9 _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 aliphatic' _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 20191118_JR21_gcbca_co_hn_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 {} 7.91500 0.02682 0.04843 ++ {0.0} {} {} 56.67664 0.85830 1.72633 ++ {0.0} {} {} 128.64699 0.11503 0.20291 ++ {0.0} {} 0.0 -0.4725 0 {} 0 0 0 1 {} 7.91546 0.02654 0.04093 ++ {0.0} {} {} 30.24471 0.78960 1.29202 ++ {0.0} {} {} 128.64099 0.12946 0.19512 ++ {0.0} {} 0.0 -0.2262 0 {} 0 0 0 2 {} 7.91235 0.03281 0.09728 ++ {0.0} {} {} 56.67266 0.86293 1.88124 ++ {0.0} {} {} 127.48977 0.69784 1.77934 ++ {0.0} {} 0.0 5.9872 0 {} 0 0 0 3 {} 7.83984 0.08911 0.01998 ++ {0.0} {} {} 56.68738 0.82864 0.11740 ++ {0.0} {} {} 127.65908 0.63870 0.09049 ++ {0.0} {} 0.0 0.0600 0 {} 0 0 0 4 {} 7.90866 0.02904 0.01560 ++ {0.0} {} {} 50.58017 1.42446 0.80413 ++ {0.0} {} {} 127.52706 0.80076 0.39225 ++ {0.0} {} 0.0 -0.0738 0 {} 0 0 0 5 {} 7.91228 0.03279 0.08353 ++ {0.0} {} {} 30.24573 0.77682 1.98379 ++ {0.0} {} {} 127.48960 0.69762 1.72071 ++ {0.0} {} 0.0 2.9138 0 {} 0 0 0 6 {} 8.36450 0.03687 0.05343 ++ {0.0} {} {} 55.94284 0.75090 1.09837 ++ {0.0} {} {} 124.15920 0.61066 0.89324 ++ {0.0} {} 0.0 0.2075 0 {} 0 0 0 7 {} 8.35472 0.03092 0.00549 ++ {0.0} {} {} 41.57264 1.06524 0.16187 ++ {0.0} {} {} 124.11501 0.68375 0.33399 ++ {0.0} {} 0.0 -0.0603 0 {} 0 0 0 8 {} 8.36350 0.03820 0.03703 ++ {0.0} {} {} 30.87871 0.73643 0.71224 ++ {0.0} {} {} 124.15770 0.63544 0.61456 ++ {0.0} {} 0.0 0.1080 0 {} 0 0 0 9 {} 8.73555 0.03438 0.02604 ++ {0.0} {} {} 55.99088 0.90925 0.67341 ++ {0.0} {} {} 123.78667 0.64330 0.47644 ++ {0.0} {} 0.0 0.0885 0 {} 0 0 0 10 {} 8.73627 0.03873 0.00075 ++ {0.0} {} {} 31.05519 1.01969 0.01804 ++ {0.0} {} {} 123.77776 0.76002 0.01333 ++ {0.0} {} 0.0 0.0562 0 {} 0 0 0 11 {} 7.96461 0.03580 0.01899 ++ {0.0} {} {} 58.78912 0.82457 0.33989 ++ {0.0} {} {} 123.54145 0.13490 0.05560 ++ {0.0} {} 0.0 -0.0702 0 {} 0 0 0 12 {} 8.34188 0.02316 0.03405 ++ {0.0} {} {} 56.97824 0.84710 0.46564 ++ {0.0} {} {} 123.46563 0.46917 0.25790 ++ {0.0} {} 0.0 -0.0769 0 {} 0 0 0 13 {} 8.24708 0.03264 0.01680 ++ {0.0} {} {} 45.22856 0.81823 0.25400 ++ {0.0} {} {} 123.35957 0.67376 0.42055 ++ {0.0} {} 0.0 -0.0660 0 {} 0 0 0 14 {} 8.39058 0.03154 0.02077 ++ {0.0} {} {} 59.00500 0.94394 0.53468 ++ {0.0} {} {} 123.07762 0.12843 0.07275 ++ {0.0} {} 0.0 -0.0778 0 {} 0 0 0 15 {} 8.40403 0.03780 0.02700 ++ {0.0} {} {} 57.23149 0.20011 0.11561 ++ {0.0} {} {} 123.08273 0.16458 0.20919 ++ {0.0} {} 0.0 -0.0784 0 {} 0 0 0 16 {} 8.29032 0.02711 0.04021 ++ {0.0} {} {} 56.88619 0.77159 1.34990 ++ {0.0} {} {} 123.09756 0.10481 0.16274 ++ {0.0} {} 0.0 -0.2493 0 {} 0 0 0 17 {} 8.42245 0.04319 0.12761 ++ {0.0} {} {} 55.95193 0.83958 1.86872 ++ {0.0} {} {} 122.98923 0.85414 1.69983 ++ {0.0} {} 0.0 0.8658 0 {} 0 0 0 18 {} 8.20640 0.04200 0.04104 ++ {0.0} {} {} 54.52839 0.97195 0.94296 ++ {0.0} {} {} 122.85905 1.05671 1.50958 ++ {0.0} {} 0.0 -0.1083 0 {} 0 0 0 19 {} 8.42273 0.04194 0.10224 ++ {0.0} {} {} 30.98321 0.87738 1.78609 ++ {0.0} {} {} 122.99154 0.72130 1.51855 ++ {0.0} {} 0.0 0.5171 0 {} 0 0 0 20 {} 8.29055 0.02853 0.03299 ++ {0.0} {} {} 30.50723 0.91730 1.06980 ++ {0.0} {} {} 123.09525 0.10510 0.12257 ++ {0.0} {} 0.0 -0.1337 0 {} 0 0 0 21 {} 8.07126 0.03840 0.00879 ++ {0.0} {} {} 59.01184 0.90700 0.16263 ++ {0.0} {} {} 122.55802 0.29722 0.05329 ++ {0.0} {} 0.0 -0.0612 0 {} 0 0 0 22 {} 7.96237 0.04042 0.08909 ++ {0.0} {} {} 58.85230 0.74825 1.79227 ++ {0.0} {} {} 122.45530 0.79086 1.57247 ++ {0.0} {} 0.0 0.6110 0 {} 0 0 0 23 {} 8.66949 0.07738 0.14544 ++ {0.0} {} {} 55.93781 0.81818 1.55314 ++ {0.0} {} {} 122.37243 0.64937 1.11346 ++ {0.0} {} 0.0 0.2935 0 {} 0 0 0 24 {} 8.35600 0.03081 0.04042 ++ {0.0} {} {} 54.54187 1.02400 1.44331 ++ {0.0} {} {} 122.51531 0.57357 0.83402 ++ {0.0} {} 0.0 -0.2042 0 {} 0 0 0 25 {} 8.35671 0.02700 0.03552 ++ {0.0} {} {} 41.46629 0.88708 1.23563 ++ {0.0} {} {} 122.50598 0.55271 0.74275 ++ {0.0} {} 0.0 -0.1699 0 {} 0 0 0 26 {} 8.66808 0.07231 0.08134 ++ {0.0} {} {} 33.22143 0.81802 0.95022 ++ {0.0} {} {} 122.38685 0.69322 0.80525 ++ {0.0} {} 0.0 0.1330 0 {} 0 0 0 27 {} 7.96213 0.04102 0.06615 ++ {0.0} {} {} 29.42121 0.78007 1.39283 ++ {0.0} {} {} 122.45091 0.76334 1.26959 ++ {0.0} {} 0.0 0.2765 0 {} 0 0 0 28 {} 8.11386 0.03918 0.01128 ++ {0.0} {} {} 63.68413 0.76497 0.21540 ++ {0.0} {} {} 122.17072 0.09818 0.02764 ++ {0.0} {} 0.0 -0.0649 0 {} 0 0 0 29 {} 8.11140 0.03468 0.02935 ++ {0.0} {} {} 59.46540 0.85809 0.71080 ++ {0.0} {} {} 122.18450 0.09913 0.08211 ++ {0.0} {} 0.0 -0.0952 0 {} 0 0 0 30 {} 8.38855 0.03975 0.10444 ++ {0.0} {} {} 59.00199 0.95820 1.88360 ++ {0.0} {} {} 121.91943 0.99367 1.41952 ++ {0.0} {} 0.0 0.6862 0 {} 0 0 0 31 {} 8.22120 0.03418 0.00784 ++ {0.0} {} {} 59.15633 1.09273 0.17535 ++ {0.0} {} {} 122.21191 0.06614 0.01061 ++ {0.0} {} 0.0 -0.0606 0 {} 0 0 0 32 {} 8.28657 0.03657 0.16318 ++ {0.0} {} {} 56.88142 0.77698 2.06336 ++ {0.0} {} {} 121.95152 0.73213 1.78004 ++ {0.0} {} 0.0 3.1575 0 {} 0 0 0 33 {} 8.28596 0.03599 0.05884 ++ {0.0} {} {} 55.40290 0.19076 0.29865 ++ {0.0} {} {} 121.97689 0.73843 1.19995 ++ {0.0} {} 0.0 -0.2567 0 {} 0 0 0 34 {} 8.27054 0.02329 0.02909 ++ {0.0} {} {} 41.40145 0.81481 1.07093 ++ {0.0} {} {} 122.09151 0.45373 0.59634 ++ {0.0} {} 0.0 -0.1626 0 {} 0 0 0 35 {} 8.28651 0.03642 0.09831 ++ {0.0} {} {} 30.49671 0.91109 1.84685 ++ {0.0} {} {} 121.95430 0.73002 1.69229 ++ {0.0} {} 0.0 1.6991 0 {} 0 0 0 36 {} 8.38847 0.04084 0.06331 ++ {0.0} {} {} 28.18400 0.85687 1.50656 ++ {0.0} {} {} 121.92622 0.35387 1.30290 ++ {0.0} {} 0.0 0.2714 0 {} 0 0 0 37 {} 8.53243 0.03049 0.00850 ++ {0.0} {} {} 59.66244 0.84875 0.18487 ++ {0.0} {} {} 121.70369 0.10721 0.02335 ++ {0.0} {} 0.0 -0.0626 0 {} 0 0 0 38 {} 8.06724 0.05005 0.11129 ++ {0.0} {} {} 58.99025 0.97325 1.93304 ++ {0.0} {} {} 121.32559 0.54609 0.99781 ++ {0.0} {} 0.0 0.6452 0 {} 0 0 0 39 {} 7.97434 0.03229 0.01799 ++ {0.0} {} {} 57.60385 0.89903 0.38010 ++ {0.0} {} {} 121.53258 0.46669 0.55606 ++ {0.0} {} 0.0 -0.0707 0 {} 0 0 0 40 {} 8.15951 0.03061 0.03988 ++ {0.0} {} {} 56.44187 0.80781 1.19687 ++ {0.0} {} {} 121.70157 0.10123 0.14455 ++ {0.0} {} 0.0 -0.1949 0 {} 0 0 0 41 {} 8.24912 0.04022 0.05568 ++ {0.0} {} {} 45.30130 0.70597 0.93630 ++ {0.0} {} {} 121.72704 0.08086 0.10724 ++ {0.0} {} 0.0 -0.1655 0 {} 0 0 0 42 {} 8.47605 0.03716 0.04614 ++ {0.0} {} {} 42.41516 0.79088 1.02120 ++ {0.0} {} {} 121.60857 0.71465 0.92278 ++ {0.0} {} 0.0 0.1573 0 {} 0 0 0 43 {} 8.33833 0.03473 0.05300 ++ {0.0} {} {} 36.51719 0.95917 1.51897 ++ {0.0} {} {} 121.48167 0.66696 1.00868 ++ {0.0} {} 0.0 0.2286 0 {} 0 0 0 44 {} 8.15711 0.03297 0.02721 ++ {0.0} {} {} 29.31677 0.72364 0.50509 ++ {0.0} {} {} 121.71394 0.09249 0.06456 ++ {0.0} {} 0.0 -0.0856 0 {} 0 0 0 45 {} 8.06618 0.03751 0.06345 ++ {0.0} {} {} 28.29066 0.73524 1.17957 ++ {0.0} {} {} 121.35857 0.54827 0.84390 ++ {0.0} {} 0.0 0.2420 0 {} 0 0 0 46 {} 8.11041 0.04292 0.12798 ++ {0.0} {} {} 63.63540 0.95975 1.79596 ++ {0.0} {} {} 121.05472 0.77882 1.61217 ++ {0.0} {} 0.0 0.8552 0 {} 0 0 0 47 {} 8.48762 0.03994 0.13215 ++ {0.0} {} {} 63.29287 0.72081 1.80121 ++ {0.0} {} {} 121.16357 0.68589 1.66531 ++ {0.0} {} 0.0 1.1736 0 {} 0 0 0 48 {} 8.64251 0.04244 0.03492 ++ {0.0} {} {} 62.71180 0.81780 0.61180 ++ {0.0} {} {} 121.08899 0.79725 0.59643 ++ {0.0} {} 0.0 0.0891 0 {} 0 0 0 49 {} 8.48585 0.04163 0.01979 ++ {0.0} {} {} 61.90997 0.11145 0.04710 ++ {0.0} {} {} 121.12995 0.75074 0.31727 ++ {0.0} {} 0.0 -0.0707 0 {} 0 0 0 50 {} 8.11038 0.04557 0.15805 ++ {0.0} {} {} 59.47392 0.92818 1.32598 ++ {0.0} {} {} 121.05721 0.80028 1.62298 ++ {0.0} {} 0.0 1.0819 0 {} 0 0 0 51 {} 8.22094 0.03781 0.08577 ++ {0.0} {} {} 59.22716 0.77801 1.76297 ++ {0.0} {} {} 121.13982 0.73630 1.60219 ++ {0.0} {} 0.0 0.6926 0 {} 0 0 0 52 {} 8.39991 0.03636 0.24404 ++ {0.0} {} {} 56.99967 1.07713 1.90784 ++ {0.0} {} {} 121.03568 0.79234 1.98485 ++ {0.0} {} 0.0 3.1324 0 {} 0 0 0 53 {} 8.39857 0.02682 0.03466 ++ {0.0} {} {} 55.52444 0.29573 0.40246 ++ {0.0} {} {} 120.98294 0.63546 0.86480 ++ {0.0} {} 0.0 -0.1745 0 {} 0 0 0 54 {} 8.35274 0.03194 0.11232 ++ {0.0} {} {} 54.53106 0.99553 1.42219 ++ {0.0} {} {} 121.20911 0.66074 1.78564 ++ {0.0} {} 0.0 3.2592 0 {} 0 0 0 55 {} 8.21022 0.02718 0.03764 ++ {0.0} {} {} 54.53046 1.03736 1.65605 ++ {0.0} {} {} 121.24674 0.10253 0.16653 ++ {0.0} {} 0.0 -0.2967 0 {} 0 0 0 56 {} 8.35047 0.03884 0.04246 ++ {0.0} {} {} 53.00885 0.40559 0.45750 ++ {0.0} {} {} 121.22425 0.64346 0.72582 ++ {0.0} {} 0.0 -0.1279 0 {} 0 0 0 57 {} 8.35178 0.04098 0.02774 ++ {0.0} {} {} 42.79762 0.04185 0.02911 ++ {0.0} {} {} 121.22594 0.64778 0.45059 ++ {0.0} {} 0.0 -0.0855 0 {} 0 0 0 58 {} 8.35299 0.03530 0.12775 ++ {0.0} {} {} 41.47238 0.87494 1.91548 ++ {0.0} {} {} 121.21204 0.65482 1.78069 ++ {0.0} {} 0.0 2.8902 0 {} 0 0 0 59 {} 8.21080 0.02858 0.03929 ++ {0.0} {} {} 41.14069 0.92990 1.59422 ++ {0.0} {} {} 121.24599 0.10447 0.16547 ++ {0.0} {} 0.0 -0.2679 0 {} 0 0 0 60 {} 8.35337 0.03398 0.02760 ++ {0.0} {} {} 39.93398 0.14329 0.10885 ++ {0.0} {} {} 121.22169 0.65908 0.50065 ++ {0.0} {} 0.0 -0.0899 0 {} 0 0 0 61 {} 8.48809 0.03955 0.11440 ++ {0.0} {} {} 32.14603 1.12226 1.60322 ++ {0.0} {} {} 121.16274 0.68467 1.54976 ++ {0.0} {} 0.0 0.6204 0 {} 0 0 0 62 {} 8.39998 0.03508 0.09904 ++ {0.0} {} {} 30.45387 0.84702 1.92920 ++ {0.0} {} {} 121.03548 0.78946 1.93110 ++ {0.0} {} 0.0 1.6194 0 {} 0 0 0 63 {} 8.22190 0.04061 0.08266 ++ {0.0} {} {} 29.16767 0.88415 1.71745 ++ {0.0} {} {} 121.12783 0.79953 1.49454 ++ {0.0} {} 0.0 0.3730 0 {} 0 0 0 64 {} 8.52779 0.03916 0.08076 ++ {0.0} {} {} 59.60847 1.09945 1.90150 ++ {0.0} {} {} 120.61177 0.78281 1.56634 ++ {0.0} {} 0.0 0.6597 0 {} 0 0 0 65 {} 8.67922 0.03459 0.07817 ++ {0.0} {} {} 58.79668 0.71975 1.71003 ++ {0.0} {} {} 120.76001 0.61182 1.54500 ++ {0.0} {} 0.0 0.8610 0 {} 0 0 0 66 {} 8.00203 0.02673 0.02134 ++ {0.0} {} {} 58.69710 0.21990 0.14718 ++ {0.0} {} {} 120.79457 0.08069 0.05401 ++ {0.0} {} 0.0 -0.0838 0 {} 0 0 0 67 {} 7.75595 0.03876 0.08545 ++ {0.0} {} {} 58.10989 1.01287 1.83488 ++ {0.0} {} {} 120.74973 0.60762 1.40146 ++ {0.0} {} 0.0 0.6882 0 {} 0 0 0 68 {} 8.67772 0.03372 0.01488 ++ {0.0} {} {} 57.40909 0.12953 0.02825 ++ {0.0} {} {} 120.79224 0.53748 0.11723 ++ {0.0} {} 0.0 -0.0626 0 {} 0 0 0 69 {} 8.15646 0.03586 0.11120 ++ {0.0} {} {} 56.45674 0.86941 1.96840 ++ {0.0} {} {} 120.57351 0.74669 1.72175 ++ {0.0} {} 0.0 2.4690 0 {} 0 0 0 70 {} 8.52067 0.04233 0.15051 ++ {0.0} {} {} 56.25071 0.75925 1.85070 ++ {0.0} {} {} 120.75533 0.64091 1.74122 ++ {0.0} {} 0.0 1.5667 0 {} 0 0 0 71 {} 8.52148 0.03780 0.03947 ++ {0.0} {} {} 54.89372 0.11896 0.12663 ++ {0.0} {} {} 120.70190 0.67826 0.72198 ++ {0.0} {} 0.0 -0.1192 0 {} 0 0 0 72 {} 8.16596 0.03647 0.04238 ++ {0.0} {} {} 54.95700 0.33121 0.48490 ++ {0.0} {} {} 120.67901 0.40702 0.59590 ++ {0.0} {} 0.0 -0.2080 0 {} 0 0 0 73 {} 8.26853 0.03430 0.09769 ++ {0.0} {} {} 54.56163 1.05442 1.58926 ++ {0.0} {} {} 120.74471 0.67198 1.83432 ++ {0.0} {} 0.0 3.6880 0 {} 0 0 0 74 {} 8.26625 0.03532 0.03703 ++ {0.0} {} {} 53.05000 0.62019 0.66779 ++ {0.0} {} {} 120.75025 0.68379 0.73628 ++ {0.0} {} 0.0 -0.1208 0 {} 0 0 0 75 {} 8.24737 0.04897 0.17190 ++ {0.0} {} {} 45.28316 0.74253 1.93911 ++ {0.0} {} {} 120.62064 0.79845 1.70053 ++ {0.0} {} 0.0 2.0635 0 {} 0 0 0 76 {} 8.26837 0.03538 0.03942 ++ {0.0} {} {} 42.77736 0.06581 0.07449 ++ {0.0} {} {} 120.77700 0.59777 0.67655 ++ {0.0} {} 0.0 -0.1284 0 {} 0 0 0 77 {} 8.26859 0.03370 0.09769 ++ {0.0} {} {} 41.41808 0.79034 1.97568 ++ {0.0} {} {} 120.74929 0.66111 1.81347 ++ {0.0} {} 0.0 3.1065 0 {} 0 0 0 78 {} 8.26781 0.03392 0.03510 ++ {0.0} {} {} 39.91745 0.11630 0.12091 ++ {0.0} {} {} 120.70700 0.69466 0.72225 ++ {0.0} {} 0.0 -0.1161 0 {} 0 0 0 79 {} 8.07741 0.03553 0.05644 ++ {0.0} {} {} 38.63840 0.99268 1.61287 ++ {0.0} {} {} 120.83427 0.58317 0.89248 ++ {0.0} {} 0.0 0.2374 0 {} 0 0 0 80 {} 8.52063 0.04257 0.10551 ++ {0.0} {} {} 31.20480 0.84352 1.20503 ++ {0.0} {} {} 120.74885 0.64533 1.63509 ++ {0.0} {} 0.0 0.8574 0 {} 0 0 0 81 {} 8.67927 0.03563 0.06964 ++ {0.0} {} {} 29.92459 0.81121 1.74811 ++ {0.0} {} {} 120.76163 0.60844 1.21967 ++ {0.0} {} 0.0 0.4485 0 {} 0 0 0 82 {} 7.75596 0.03932 0.06635 ++ {0.0} {} {} 29.99541 0.90621 1.58599 ++ {0.0} {} {} 120.74319 0.61160 0.97154 ++ {0.0} {} 0.0 0.2710 0 {} 0 0 0 83 {} 8.15682 0.03659 0.09874 ++ {0.0} {} {} 29.27335 0.87690 1.25271 ++ {0.0} {} {} 120.55803 0.73011 1.69377 ++ {0.0} {} 0.0 1.2745 0 {} 0 0 0 84 {} 8.10012 0.02452 0.01091 ++ {0.0} {} {} 59.28338 0.57333 0.19495 ++ {0.0} {} {} 120.12257 0.08447 0.02872 ++ {0.0} {} 0.0 -0.0672 0 {} 0 0 0 85 {} 8.16443 0.03934 0.07771 ++ {0.0} {} {} 58.74932 0.81978 1.88859 ++ {0.0} {} {} 120.24102 0.92396 1.86737 ++ {0.0} {} 0.0 0.5814 0 {} 0 0 0 86 {} 7.97249 0.03601 0.08873 ++ {0.0} {} {} 57.62365 1.00102 1.80621 ++ {0.0} {} {} 120.27674 0.62821 1.63946 ++ {0.0} {} 0.0 1.2325 0 {} 0 0 0 87 {} 7.97465 0.03588 0.02152 ++ {0.0} {} {} 56.34027 0.06476 0.03209 ++ {0.0} {} {} 120.19608 0.71873 0.35616 ++ {0.0} {} 0.0 -0.0741 0 {} 0 0 0 88 {} 7.85925 0.03822 0.01475 ++ {0.0} {} {} 56.33063 0.99721 0.23235 ++ {0.0} {} {} 120.32446 0.11798 0.02749 ++ {0.0} {} 0.0 -0.0631 0 {} 0 0 0 89 {} 8.20806 0.03225 0.11122 ++ {0.0} {} {} 54.51743 1.05760 1.86029 ++ {0.0} {} {} 120.07711 0.75906 1.80736 ++ {0.0} {} 0.0 3.7315 0 {} 0 0 0 90 {} 8.20783 0.03258 0.12104 ++ {0.0} {} {} 41.15968 1.07058 1.89241 ++ {0.0} {} {} 120.07146 0.75889 1.80522 ++ {0.0} {} 0.0 3.3483 0 {} 0 0 0 91 {} 8.39207 0.03676 0.05217 ++ {0.0} {} {} 36.17699 0.86053 1.33616 ++ {0.0} {} {} 120.31837 0.56995 0.82490 ++ {0.0} {} 0.0 0.2017 0 {} 0 0 0 92 {} 7.97429 0.03873 0.07727 ++ {0.0} {} {} 29.02245 1.20337 2.05138 ++ {0.0} {} {} 120.24393 0.74179 1.66949 ++ {0.0} {} 0.0 0.6505 0 {} 0 0 0 93 {} 7.69970 0.04136 0.06815 ++ {0.0} {} {} 64.91686 0.78850 1.44053 ++ {0.0} {} {} 119.83955 0.59410 0.95749 ++ {0.0} {} 0.0 0.2871 0 {} 0 0 0 94 {} 8.30440 0.05288 0.12781 ++ {0.0} {} {} 59.62858 1.05380 1.89577 ++ {0.0} {} {} 119.55306 0.62753 1.33221 ++ {0.0} {} 0.0 0.5210 0 {} 0 0 0 95 {} 7.88576 0.03653 0.06888 ++ {0.0} {} {} 59.57791 1.05406 1.78671 ++ {0.0} {} {} 119.48095 0.53481 0.94947 ++ {0.0} {} 0.0 0.4963 0 {} 0 0 0 96 {} 7.99824 0.03776 0.08859 ++ {0.0} {} {} 58.77239 0.79668 1.97039 ++ {0.0} {} {} 119.71146 0.79292 1.61049 ++ {0.0} {} 0.0 0.9691 0 {} 0 0 0 97 {} 8.35094 0.03802 0.10365 ++ {0.0} {} {} 56.86972 0.76586 2.04561 ++ {0.0} {} {} 119.82236 0.96782 2.31973 ++ {0.0} {} 0.0 1.6189 0 {} 0 0 0 98 {} 8.10954 0.03728 0.05695 ++ {0.0} {} {} 56.66573 0.98797 1.68434 ++ {0.0} {} {} 119.73656 0.90735 1.53794 ++ {0.0} {} 0.0 0.2873 0 {} 0 0 0 99 {} 8.34869 0.03541 0.03851 ++ {0.0} {} {} 55.45278 0.17994 0.20197 ++ {0.0} {} {} 119.85415 0.60193 0.67563 ++ {0.0} {} 0.0 -0.1271 0 {} 0 0 0 100 {} 7.69988 0.03812 0.03664 ++ {0.0} {} {} 38.07403 1.05466 1.00832 ++ {0.0} {} {} 119.85987 0.57153 0.54388 ++ {0.0} {} 0.0 0.1064 0 {} 0 0 0 101 {} 8.34759 0.04576 0.00038 ++ {0.0} {} {} 31.75191 0.09836 0.00102 ++ {0.0} {} {} 119.88331 0.58779 0.00610 ++ {0.0} {} 0.0 -0.0560 0 {} 0 0 0 102 {} 8.35117 0.03853 0.08693 ++ {0.0} {} {} 30.39677 0.76078 1.80749 ++ {0.0} {} {} 119.82972 0.62951 1.60629 ++ {0.0} {} 0.0 0.9286 0 {} 0 0 0 103 {} 7.88557 0.03655 0.05220 ++ {0.0} {} {} 29.08617 1.02963 1.46922 ++ {0.0} {} {} 119.48505 0.52744 0.77678 ++ {0.0} {} 0.0 0.2115 0 {} 0 0 0 104 {} 8.30552 0.04104 0.06377 ++ {0.0} {} {} 28.56715 1.15078 1.74684 ++ {0.0} {} {} 119.61431 0.68362 1.13654 ++ {0.0} {} 0.0 0.2516 0 {} 0 0 0 105 {} 8.27626 0.05268 0.09769 ++ {0.0} {} {} 59.24611 0.83561 1.76826 ++ {0.0} {} {} 119.25588 0.79217 1.49768 ++ {0.0} {} 0.0 0.4750 0 {} 0 0 0 106 {} 8.10095 0.03830 0.07574 ++ {0.0} {} {} 59.08772 1.05366 1.84934 ++ {0.0} {} {} 119.19058 0.76253 1.60657 ++ {0.0} {} 0.0 0.7087 0 {} 0 0 0 107 {} 8.20165 0.03532 0.08011 ++ {0.0} {} {} 58.63086 0.95823 1.86191 ++ {0.0} {} {} 119.10366 0.92316 1.94179 ++ {0.0} {} 0.0 0.6801 0 {} 0 0 0 108 {} 8.17787 0.03439 0.08169 ++ {0.0} {} {} 54.74752 0.75980 1.92372 ++ {0.0} {} {} 119.44262 0.60627 1.78997 ++ {0.0} {} 0.0 2.7911 0 {} 0 0 0 109 {} 8.17909 0.03683 0.04861 ++ {0.0} {} {} 53.39160 0.10598 0.14773 ++ {0.0} {} {} 119.38374 0.61415 0.85609 ++ {0.0} {} 0.0 -0.1840 0 {} 0 0 0 110 {} 8.19065 0.03895 0.01166 ++ {0.0} {} {} 46.45886 0.87689 0.30642 ++ {0.0} {} {} 119.39034 0.11620 0.04060 ++ {0.0} {} 0.0 -0.0676 0 {} 0 0 0 111 {} 8.17734 0.03409 0.02454 ++ {0.0} {} {} 42.70544 0.15652 0.09833 ++ {0.0} {} {} 119.42336 0.64001 0.40205 ++ {0.0} {} 0.0 -0.0813 0 {} 0 0 0 112 {} 8.17794 0.03438 0.08059 ++ {0.0} {} {} 41.16675 0.88963 1.89153 ++ {0.0} {} {} 119.43433 0.61304 1.82172 ++ {0.0} {} 0.0 2.7924 0 {} 0 0 0 113 {} 8.17793 0.03291 0.02477 ++ {0.0} {} {} 39.85823 0.03997 0.02660 ++ {0.0} {} {} 119.41207 0.60965 0.40571 ++ {0.0} {} 0.0 -0.0836 0 {} 0 0 0 114 {} 7.85690 0.03801 0.05854 ++ {0.0} {} {} 36.75297 0.75083 1.28366 ++ {0.0} {} {} 119.23182 0.75568 1.25947 ++ {0.0} {} 0.0 0.2635 0 {} 0 0 0 115 {} 8.10201 0.03861 0.06547 ++ {0.0} {} {} 29.99796 0.94561 1.72070 ++ {0.0} {} {} 119.28282 0.87835 1.55792 ++ {0.0} {} 0.0 0.3426 0 {} 0 0 0 116 {} 8.27275 0.05179 0.08959 ++ {0.0} {} {} 29.38082 0.73217 1.08273 ++ {0.0} {} {} 119.24429 0.82896 1.25703 ++ {0.0} {} 0.0 0.2139 0 {} 0 0 0 117 {} 8.20183 0.03454 0.06555 ++ {0.0} {} {} 29.39747 0.77831 1.43788 ++ {0.0} {} {} 119.09283 0.64342 1.19949 ++ {0.0} {} 0.0 0.2971 0 {} 0 0 0 118 {} 8.51925 0.03595 0.01660 ++ {0.0} {} {} 65.29121 0.29615 0.10137 ++ {0.0} {} {} 118.91554 0.11437 0.03914 ++ {0.0} {} 0.0 -0.0673 0 {} 0 0 0 119 {} 8.41556 0.03809 0.07173 ++ {0.0} {} {} 60.15615 0.91147 1.81679 ++ {0.0} {} {} 118.77752 0.76427 1.50591 ++ {0.0} {} 0.0 0.5359 0 {} 0 0 0 120 {} 7.99248 0.02809 0.00488 ++ {0.0} {} {} 58.75840 0.57668 0.07692 ++ {0.0} {} {} 118.60131 0.07869 0.01050 ++ {0.0} {} 0.0 -0.0597 0 {} 0 0 0 121 {} 7.63292 0.04020 0.02281 ++ {0.0} {} {} 58.47581 0.91735 0.43761 ++ {0.0} {} {} 118.90831 0.15187 0.07245 ++ {0.0} {} 0.0 -0.0732 0 {} 0 0 0 122 {} 8.32498 0.03206 0.06252 ++ {0.0} {} {} 40.61264 1.01988 1.81380 ++ {0.0} {} {} 118.93445 0.59878 1.35714 ++ {0.0} {} 0.0 0.6144 0 {} 0 0 0 123 {} 8.41588 0.03753 0.06206 ++ {0.0} {} {} 37.70179 0.83133 1.51631 ++ {0.0} {} {} 118.77823 0.76659 1.28764 ++ {0.0} {} 0.0 0.2930 0 {} 0 0 0 124 {} 8.15734 0.03752 0.07341 ++ {0.0} {} {} 59.69138 0.79171 1.60329 ++ {0.0} {} {} 118.39336 0.78811 1.52740 ++ {0.0} {} 0.0 0.4723 0 {} 0 0 0 125 {} 8.04957 0.03877 0.07375 ++ {0.0} {} {} 59.10582 1.03045 1.78434 ++ {0.0} {} {} 118.10123 0.50890 0.90242 ++ {0.0} {} 0.0 0.4918 0 {} 0 0 0 126 {} 7.86776 0.03971 0.08632 ++ {0.0} {} {} 57.57246 1.04125 1.81693 ++ {0.0} {} {} 118.45098 0.60452 1.41710 ++ {0.0} {} 0.0 0.6589 0 {} 0 0 0 127 {} 8.19066 0.05058 0.11183 ++ {0.0} {} {} 46.43492 0.80865 1.85923 ++ {0.0} {} {} 118.27813 0.76532 1.55452 ++ {0.0} {} 0.0 0.6824 0 {} 0 0 0 128 {} 7.86797 0.03956 0.06457 ++ {0.0} {} {} 41.43866 0.79072 1.44133 ++ {0.0} {} {} 118.44661 0.60025 0.97119 ++ {0.0} {} 0.0 0.2919 0 {} 0 0 0 129 {} 8.15836 0.03729 0.05450 ++ {0.0} {} {} 30.06376 1.07330 1.51797 ++ {0.0} {} {} 118.41444 0.67415 0.98611 ++ {0.0} {} 0.0 0.2075 0 {} 0 0 0 130 {} 8.04908 0.03829 0.05858 ++ {0.0} {} {} 28.25695 0.78715 1.29741 ++ {0.0} {} {} 118.11059 0.54779 0.83072 ++ {0.0} {} 0.0 0.2306 0 {} 0 0 0 131 {} 8.51652 0.03763 0.10561 ++ {0.0} {} {} 65.12689 0.96787 1.84998 ++ {0.0} {} {} 117.80510 0.74121 1.56586 ++ {0.0} {} 0.0 0.7415 0 {} 0 0 0 132 {} 7.62853 0.04023 0.08795 ++ {0.0} {} {} 58.46558 0.86900 1.86811 ++ {0.0} {} {} 117.80053 0.71671 1.49546 ++ {0.0} {} 0.0 0.5946 0 {} 0 0 0 133 {} 7.66778 0.03912 0.07427 ++ {0.0} {} {} 57.00974 0.98232 1.40332 ++ {0.0} {} {} 117.89091 0.72411 1.54105 ++ {0.0} {} 0.0 0.6090 0 {} 0 0 0 134 {} 8.51698 0.03828 0.06736 ++ {0.0} {} {} 32.90790 0.79089 1.46576 ++ {0.0} {} {} 117.79729 0.72422 1.31247 ++ {0.0} {} 0.0 0.2980 0 {} 0 0 0 135 {} 7.66423 0.05093 0.09741 ++ {0.0} {} {} 30.57625 1.05149 1.68409 ++ {0.0} {} {} 117.87781 0.75734 1.40327 ++ {0.0} {} 0.0 0.3463 0 {} 0 0 0 136 {} 8.40414 0.03689 0.07387 ++ {0.0} {} {} 61.45898 0.82489 1.69538 ++ {0.0} {} {} 116.72884 0.54117 0.95088 ++ {0.0} {} 0.0 0.4590 0 {} 0 0 0 137 {} 8.39676 0.05529 0.07143 ++ {0.0} {} {} 56.66985 0.89188 1.17673 ++ {0.0} {} {} 116.83777 0.66908 0.86554 ++ {0.0} {} 0.0 0.1578 0 {} 0 0 0 138 {} 8.40410 0.03746 0.05618 ++ {0.0} {} {} 37.49594 0.93291 1.50935 ++ {0.0} {} {} 116.74485 0.53490 0.80458 ++ {0.0} {} 0.0 0.2249 0 {} 0 0 0 139 {} 8.39415 0.05355 0.03150 ++ {0.0} {} {} 30.82234 0.82234 0.35114 ++ {0.0} {} {} 116.84788 0.69018 0.29470 ++ {0.0} {} 0.0 0.0709 0 {} 0 0 0 140 {} 8.21634 0.04084 0.03016 ++ {0.0} {} {} 57.86555 0.74545 0.53524 ++ {0.0} {} {} 116.58619 0.15867 0.11393 ++ {0.0} {} 0.0 -0.0870 0 {} 0 0 0 141 {} 8.21537 0.03847 0.10434 ++ {0.0} {} {} 57.85524 0.75025 1.89828 ++ {0.0} {} {} 115.45672 0.66898 1.53550 ++ {0.0} {} 0.0 0.8462 0 {} 0 0 0 142 {} 8.21493 0.03870 0.08041 ++ {0.0} {} {} 30.51416 0.97181 1.79981 ++ {0.0} {} {} 115.45419 0.66170 1.35381 ++ {0.0} {} 0.0 0.4678 0 {} 0 0 0 143 {} 7.73093 0.02725 0.02813 ++ {0.0} {} {} 51.30603 0.74171 0.76908 ++ {0.0} {} {} 113.34560 0.75197 0.77972 ++ {0.0} {} 0.0 0.1158 0 {} 0 0 0 144 {} 6.96093 0.03198 0.02350 ++ {0.0} {} {} 51.24766 0.78529 0.50801 ++ {0.0} {} {} 113.25367 0.89665 0.58004 ++ {0.0} {} 0.0 0.0824 0 {} 0 0 0 145 {} 7.73054 0.02409 0.03451 ++ {0.0} {} {} 39.08290 1.05800 1.47449 ++ {0.0} {} {} 113.32618 0.72704 1.08439 ++ {0.0} {} 0.0 0.2029 0 {} 0 0 0 146 {} 6.96111 0.03276 0.03771 ++ {0.0} {} {} 39.09052 1.03061 1.23479 ++ {0.0} {} {} 113.24382 0.96683 1.16130 ++ {0.0} {} 0.0 0.1429 0 {} 0 0 0 147 {} 7.54279 0.01925 0.00245 ++ {0.0} {} {} 34.04662 1.09734 0.04103 ++ {0.0} {} {} 113.29605 0.31782 0.01179 ++ {0.0} {} 0.0 -0.0568 0 {} 0 0 0 148 {} 6.86170 0.03912 0.03489 ++ {0.0} {} {} 33.91511 0.84835 0.75660 ++ {0.0} {} {} 113.10455 0.74671 0.66596 ++ {0.0} {} 0.0 -0.1006 0 {} 0 0 0 149 {} 7.57869 0.01868 0.04330 ++ {0.0} {} {} 29.30666 0.94217 1.01427 ++ {0.0} {} {} 112.11584 0.71956 0.77462 ++ {0.0} {} 0.0 0.1207 0 {} 0 0 0 150 {} 8.56389 0.03491 0.01611 ++ {0.0} {} {} 56.48214 0.90204 0.36354 ++ {0.0} {} {} 111.94274 0.17678 0.07125 ++ {0.0} {} 0.0 -0.0698 0 {} 0 0 0 151 {} 7.57129 0.04918 0.11272 ++ {0.0} {} {} 34.06501 1.20152 1.91657 ++ {0.0} {} {} 111.99689 0.80394 1.63133 ++ {0.0} {} 0.0 0.4303 0 {} 0 0 0 152 {} 7.47936 0.03669 0.06081 ++ {0.0} {} {} 34.06846 1.07384 1.71727 ++ {0.0} {} {} 111.75233 0.89079 1.60550 ++ {0.0} {} 0.0 0.3499 0 {} 0 0 0 153 {} 6.86901 0.04896 0.09760 ++ {0.0} {} {} 33.93198 0.86825 1.85335 ++ {0.0} {} {} 111.82246 1.16759 1.72328 ++ {0.0} {} 0.0 0.4759 0 {} 0 0 0 154 {} 7.05141 0.02902 0.03199 ++ {0.0} {} {} 33.66182 0.91321 1.01581 ++ {0.0} {} {} 111.98685 0.66988 0.74514 ++ {0.0} {} 0.0 0.1256 0 {} 0 0 0 155 {} 6.67520 0.02889 0.02380 ++ {0.0} {} {} 33.60122 1.02016 0.77140 ++ {0.0} {} {} 111.93529 0.73009 0.54945 ++ {0.0} {} 0.0 0.0894 0 {} 0 0 0 156 {} 7.54163 0.01977 0.04314 ++ {0.0} {} {} 29.05504 1.40138 1.38876 ++ {0.0} {} {} 111.99250 0.77610 0.76648 ++ {0.0} {} 0.0 0.1101 0 {} 0 0 0 157 {} 6.86406 0.04660 0.05470 ++ {0.0} {} {} 29.22280 0.99244 1.33686 ++ {0.0} {} {} 111.91763 0.81803 1.01408 ++ {0.0} {} 0.0 0.1466 0 {} 0 0 0 158 {} 7.48093 0.03298 0.00396 ++ {0.0} {} {} 28.56211 0.66198 0.16927 ++ {0.0} {} {} 111.78618 0.89010 0.07829 ++ {0.0} {} 0.0 0.0583 0 {} 0 0 0 159 {} 7.63230 0.03057 0.03807 ++ {0.0} {} {} 34.02111 0.96061 1.29125 ++ {0.0} {} {} 111.56323 0.68592 0.89780 ++ {0.0} {} 0.0 0.1613 0 {} 0 0 0 160 {} 6.81136 0.01657 0.03661 ++ {0.0} {} {} 34.01625 1.01283 1.02070 ++ {0.0} {} {} 111.31699 0.80511 0.81137 ++ {0.0} {} 0.0 0.1124 0 {} 0 0 0 161 {} 7.63379 0.02562 0.00011 ++ {0.0} {} {} 28.21434 0.86530 0.00259 ++ {0.0} {} {} 111.49483 0.77991 0.00234 ++ {0.0} {} 0.0 0.0558 0 {} 0 0 0 162 {} 8.56110 0.05555 0.16541 ++ {0.0} {} {} 56.48640 0.91076 1.89963 ++ {0.0} {} {} 110.77746 0.61245 1.40065 ++ {0.0} {} 0.0 0.7781 0 {} 0 0 0 163 {} 7.37629 0.02922 0.04403 ++ {0.0} {} {} 34.44634 0.81669 1.32622 ++ {0.0} {} {} 110.83625 0.87295 1.38082 ++ {0.0} {} 0.0 0.2250 0 {} 0 0 0 164 {} 6.76454 0.02933 0.03094 ++ {0.0} {} {} 34.46375 0.91312 0.97362 ++ {0.0} {} {} 110.68301 0.65868 0.70233 ++ {0.0} {} 0.0 0.1194 0 {} 0 0 0 165 {} 8.55977 0.05784 0.12074 ++ {0.0} {} {} 30.62245 0.99582 1.74653 ++ {0.0} {} {} 110.78495 0.60121 1.07912 ++ {0.0} {} 0.0 0.4034 0 {} 0 0 0 166 {} 7.37633 0.02758 0.01739 ++ {0.0} {} {} 28.99129 1.02600 0.54752 ++ {0.0} {} {} 110.80297 0.77395 0.41301 ++ {0.0} {} 0.0 0.0760 0 {} 0 0 0 167 {} 7.85866 0.03216 0.02937 ++ {0.0} {} {} 34.06343 1.03706 0.92386 ++ {0.0} {} {} 110.63846 0.65044 0.57517 ++ {0.0} {} 0.0 0.0999 0 {} 0 0 0 168 {} 6.67570 0.03299 0.03379 ++ {0.0} {} {} 33.84074 0.81435 0.84309 ++ {0.0} {} {} 110.43285 0.97666 1.01514 ++ {0.0} {} 0.0 0.1156 0 {} 0 0 0 169 {} 8.42832 0.05272 0.10523 ++ {0.0} {} {} 55.51725 0.98575 1.70248 ++ {0.0} {} {} 109.46095 0.69222 1.29308 ++ {0.0} {} 0.0 0.3374 0 {} 0 0 0 170 {} 8.42435 0.05586 0.07988 ++ {0.0} {} {} 29.79095 0.75484 1.04704 ++ {0.0} {} {} 109.47905 0.79961 1.16336 ++ {0.0} {} 0.0 0.1819 0 {} 0 0 0 171 {} 8.08919 0.07587 0.07488 ++ {0.0} {} {} 56.96281 0.82123 0.80937 ++ {0.0} {} {} 107.52036 0.61680 0.60790 ++ {0.0} {} 0.0 0.1099 0 {} 0 0 0 172 {} 8.10134 0.08049 0.01529 ++ {0.0} {} {} 29.10848 1.10458 0.08742 ++ {0.0} {} {} 107.54398 0.65999 0.05224 ++ {0.0} {} 0.0 0.0580 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-aliphatic . . 3903.76223633 Hz . . . 4.77299976349 . . 30870 9 2 . . C 13 C-aliphatic . . 10553.9335937 Hz . . . 35.0649986267 . . 30870 9 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_10 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_10 _Spectral_peak_list.Entry_ID 30870 _Spectral_peak_list.ID 10 _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 9 _Spectral_peak_list.Experiment_name '2D 1H-15N HSQC' _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 20191118_JR21_ghn_cacb_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 {} 7.91747 0.03070 0.05205 ++ {0.0} {} {} 57.35059 0.71845 1.64984 ++ {0.0} {} {} 128.65436 0.10672 0.19321 ++ {0.0} {} 0.0 -0.2025 0 {} 0 0 0 1 {} 7.91744 0.03027 0.04735 ++ {0.0} {} {} 31.68415 0.85983 1.22832 ++ {0.0} {} {} 128.65648 0.09937 0.17191 ++ {0.0} {} 0.0 0.1422 0 {} 0 0 0 2 {} 7.91032 0.01323 0.00172 ++ {0.0} {} {} 70.79572 0.68991 0.08986 ++ {0.0} {} {} 127.40217 0.72983 0.09505 ++ {0.0} {} 0.0 0.0205 0 {} 0 0 0 3 {} 8.39485 0.01078 0.00218 ++ {0.0} {} {} 61.51845 0.80299 0.16252 ++ {0.0} {} {} 127.55491 0.91309 0.18472 ++ {0.0} {} 0.0 0.0214 0 {} 0 0 0 4 {} 7.91257 0.03279 0.09100 ++ {0.0} {} {} 57.32833 0.72050 2.01001 ++ {0.0} {} {} 127.50096 0.72976 1.76315 ++ {0.0} {} 0.0 2.9991 0 {} 0 0 0 5 {} 7.84908 0.02454 0.00144 ++ {0.0} {} {} 57.48830 1.06616 0.04775 ++ {0.0} {} {} 127.74435 0.50701 0.02271 ++ {0.0} {} 0.0 0.0196 0 {} 0 0 0 6 {} 7.80984 0.04957 0.00697 ++ {0.0} {} {} 57.50101 0.77047 0.12737 ++ {0.0} {} {} 127.57388 0.82960 0.13714 ++ {0.0} {} 0.0 0.0209 0 {} 0 0 0 7 {} 7.91169 0.02417 0.02491 ++ {0.0} {} {} 54.08235 0.93959 1.04371 ++ {0.0} {} {} 127.55347 0.82455 0.85926 ++ {0.0} {} 0.0 0.0401 0 {} 0 0 0 8 {} 7.91588 0.02871 0.02332 ++ {0.0} {} {} 38.66270 0.67088 0.54434 ++ {0.0} {} {} 127.55692 0.82738 0.67132 ++ {0.0} {} 0.0 0.0323 0 {} 0 0 0 9 {} 7.91309 0.02451 0.02608 ++ {0.0} {} {} 36.29507 1.15495 1.64993 ++ {0.0} {} {} 127.51969 0.78424 0.83806 ++ {0.0} {} 0.0 -0.0412 0 {} 0 0 0 10 {} 7.91268 0.03269 0.08823 ++ {0.0} {} {} 31.68517 0.86198 1.23141 ++ {0.0} {} {} 127.49957 0.72680 1.76462 ++ {0.0} {} 0.0 -2.2744 0 {} 0 0 0 11 {} 7.91241 0.03211 0.05069 ++ {0.0} {} {} 28.93110 0.28592 0.45481 ++ {0.0} {} {} 127.48116 0.73402 1.31090 ++ {0.0} {} 0.0 0.0938 0 {} 0 0 0 12 {} 7.58542 0.02386 0.00611 ++ {0.0} {} {} 33.91214 0.70628 0.10994 ++ {0.0} {} {} 126.66699 1.05905 0.16681 ++ {0.0} {} 0.0 -0.0208 0 {} 0 0 0 13 {} 8.48505 0.01829 0.00126 ++ {0.0} {} {} 56.01193 0.81397 0.06134 ++ {0.0} {} {} 125.59596 0.76749 0.05784 ++ {0.0} {} 0.0 0.0200 0 {} 0 0 0 14 {} 7.90830 0.02747 0.00550 ++ {0.0} {} {} 31.66336 0.88264 0.11194 ++ {0.0} {} {} 124.90808 0.57813 0.07332 ++ {0.0} {} 0.0 0.0205 0 {} 0 0 0 15 {} 8.36561 0.03532 0.06582 ++ {0.0} {} {} 55.41924 0.87703 1.44575 ++ {0.0} {} {} 124.19993 0.67866 1.25780 ++ {0.0} {} 0.0 0.1051 0 {} 0 0 0 16 {} 8.36577 0.04039 0.05301 ++ {0.0} {} {} 42.46738 0.82628 1.24662 ++ {0.0} {} {} 124.18758 0.69982 0.99639 ++ {0.0} {} 0.0 -0.0666 0 {} 0 0 0 17 {} 8.28639 0.02411 0.01985 ++ {0.0} {} {} 30.52181 1.04015 0.80760 ++ {0.0} {} {} 124.52348 1.73054 1.56496 ++ {0.0} {} 0.0 0.0314 0 {} 0 0 0 18 {} 8.40195 0.02377 0.03370 ++ {0.0} {} {} 56.73689 0.80425 1.03606 ++ {0.0} {} {} 123.85945 1.34274 1.83589 ++ {0.0} {} 0.0 -0.0540 0 {} 0 0 0 19 {} 8.73262 0.03369 0.03213 ++ {0.0} {} {} 51.89361 0.66609 0.62366 ++ {0.0} {} {} 123.83509 0.83756 0.78421 ++ {0.0} {} 0.0 0.0361 0 {} 0 0 0 20 {} 8.73707 0.02939 0.02865 ++ {0.0} {} {} 42.13719 0.88572 0.85511 ++ {0.0} {} {} 123.78371 0.76700 0.74050 ++ {0.0} {} 0.0 -0.0371 0 {} 0 0 0 21 {} 8.40303 0.03147 0.03388 ++ {0.0} {} {} 30.43877 0.83811 0.91666 ++ {0.0} {} {} 123.86968 0.76169 0.83308 ++ {0.0} {} 0.0 0.0424 0 {} 0 0 0 22 {} 7.96426 0.04303 0.04897 ++ {0.0} {} {} 58.54546 1.17747 1.46443 ++ {0.0} {} {} 123.56647 0.09971 0.12764 ++ {0.0} {} 0.0 -0.0533 0 {} 0 0 0 23 {} 8.35622 0.04033 0.06233 ++ {0.0} {} {} 56.84233 0.69885 0.80907 ++ {0.0} {} {} 123.61581 1.63660 1.83984 ++ {0.0} {} 0.0 -0.0456 0 {} 0 0 0 24 {} 8.15635 0.02351 0.00975 ++ {0.0} {} {} 56.68813 0.70526 0.29610 ++ {0.0} {} {} 123.57121 1.06918 1.52740 ++ {0.0} {} 0.0 -0.0243 0 {} 0 0 0 25 {} 8.26826 0.03225 0.04001 ++ {0.0} {} {} 41.50046 0.76446 1.06874 ++ {0.0} {} {} 123.20271 1.69726 2.42465 ++ {0.0} {} 0.0 0.0638 0 {} 0 0 0 26 {} 8.36768 0.01218 0.02038 ++ {0.0} {} {} 30.51556 0.88064 0.69023 ++ {0.0} {} {} 123.58701 0.87918 0.68909 ++ {0.0} {} 0.0 0.0316 0 {} 0 0 0 27 {} 7.96661 0.04217 0.03602 ++ {0.0} {} {} 29.48547 0.88142 0.64822 ++ {0.0} {} {} 123.56528 0.09269 0.06817 ++ {0.0} {} 0.0 0.0304 0 {} 0 0 0 28 {} 8.22597 0.02765 0.00390 ++ {0.0} {} {} 61.14436 0.83039 0.06964 ++ {0.0} {} {} 122.79211 0.55441 0.04649 ++ {0.0} {} 0.0 0.0200 0 {} 0 0 0 29 {} 8.39443 0.03046 0.03142 ++ {0.0} {} {} 60.00607 1.05376 1.07352 ++ {0.0} {} {} 123.09615 0.17381 0.17707 ++ {0.0} {} 0.0 -0.0391 0 {} 0 0 0 30 {} 8.28978 0.02801 0.04343 ++ {0.0} {} {} 56.65479 0.78405 1.60259 ++ {0.0} {} {} 123.10984 0.08654 0.14801 ++ {0.0} {} 0.0 -0.1326 0 {} 0 0 0 31 {} 8.42286 0.04166 0.07316 ++ {0.0} {} {} 55.86709 0.60063 1.01894 ++ {0.0} {} {} 122.97106 0.90052 1.62730 ++ {0.0} {} 0.0 0.1265 0 {} 0 0 0 32 {} 8.20453 0.03424 0.04681 ++ {0.0} {} {} 54.51921 0.91710 1.45524 ++ {0.0} {} {} 122.86060 1.06918 1.52740 ++ {0.0} {} 0.0 -0.0728 0 {} 0 0 0 33 {} 8.42293 0.04197 0.13140 ++ {0.0} {} {} 51.85093 0.67757 1.82369 ++ {0.0} {} {} 123.01085 0.68049 1.60102 ++ {0.0} {} 0.0 0.3189 0 {} 0 0 0 34 {} 8.42315 0.04248 0.14247 ++ {0.0} {} {} 42.11081 0.99843 1.72114 ++ {0.0} {} {} 123.00786 0.70253 1.65587 ++ {0.0} {} 0.0 -0.3577 0 {} 0 0 0 35 {} 8.52729 0.02198 0.00071 ++ {0.0} {} {} 41.09493 0.89475 0.02368 ++ {0.0} {} {} 122.90459 0.61808 0.04053 ++ {0.0} {} 0.0 0.0195 0 {} 0 0 0 36 {} 8.42542 0.04028 0.06983 ++ {0.0} {} {} 31.03483 0.98508 1.63555 ++ {0.0} {} {} 122.98997 0.75691 1.43723 ++ {0.0} {} 0.0 -0.1022 0 {} 0 0 0 37 {} 8.28810 0.02711 0.03962 ++ {0.0} {} {} 30.37245 0.75254 1.27328 ++ {0.0} {} {} 123.10692 0.08137 0.12517 ++ {0.0} {} 0.0 0.0832 0 {} 0 0 0 38 {} 8.07173 0.04442 0.03305 ++ {0.0} {} {} 60.61956 0.95488 0.55510 ++ {0.0} {} {} 122.56832 0.28711 0.16691 ++ {0.0} {} 0.0 -0.0271 0 {} 0 0 0 39 {} 8.34577 0.01718 0.01083 ++ {0.0} {} {} 59.54711 0.72865 0.40804 ++ {0.0} {} {} 122.63171 0.10284 0.05759 ++ {0.0} {} 0.0 -0.0267 0 {} 0 0 0 40 {} 7.96272 0.03696 0.11599 ++ {0.0} {} {} 58.61010 0.93476 1.92332 ++ {0.0} {} {} 122.47225 0.78340 1.65886 ++ {0.0} {} 0.0 0.5597 0 {} 0 0 0 41 {} 8.66704 0.02714 0.01267 ++ {0.0} {} {} 56.36102 0.67505 0.30896 ++ {0.0} {} {} 122.49167 0.54347 0.24874 ++ {0.0} {} 0.0 0.0249 0 {} 0 0 0 42 {} 8.49558 0.01268 0.00684 ++ {0.0} {} {} 55.86823 0.64725 0.34913 ++ {0.0} {} {} 122.49100 0.56433 0.30440 ++ {0.0} {} 0.0 -0.0263 0 {} 0 0 0 43 {} 7.96178 0.03567 0.08973 ++ {0.0} {} {} 29.47121 0.88559 1.26513 ++ {0.0} {} {} 122.47482 0.79057 1.62579 ++ {0.0} {} 0.0 -0.3501 0 {} 0 0 0 44 {} 7.96065 0.02275 0.00885 ++ {0.0} {} {} 27.92965 0.28870 0.10642 ++ {0.0} {} {} 122.47066 0.89997 0.33175 ++ {0.0} {} 0.0 0.0235 0 {} 0 0 0 45 {} 8.21208 0.02799 0.00347 ++ {0.0} {} {} 58.85432 0.35427 0.05043 ++ {0.0} {} {} 122.19431 0.10688 0.00692 ++ {0.0} {} 0.0 -0.0198 0 {} 0 0 0 46 {} 8.28699 0.03540 0.20787 ++ {0.0} {} {} 56.65663 1.00328 1.87792 ++ {0.0} {} {} 121.95460 0.75896 1.83840 ++ {0.0} {} 0.0 1.9676 0 {} 0 0 0 47 {} 8.10425 0.01148 0.00131 ++ {0.0} {} {} 56.26678 0.48236 0.01657 ++ {0.0} {} {} 122.18046 0.07192 0.00247 ++ {0.0} {} 0.0 -0.0195 0 {} 0 0 0 48 {} 8.27188 0.02824 0.05076 ++ {0.0} {} {} 54.49675 0.71846 1.48382 ++ {0.0} {} {} 122.12954 0.15938 0.57589 ++ {0.0} {} 0.0 -0.1074 0 {} 0 0 0 49 {} 8.42538 0.02836 0.01479 ++ {0.0} {} {} 51.85036 0.64257 0.08472 ++ {0.0} {} {} 121.85777 0.10376 0.01368 ++ {0.0} {} 0.0 -0.0206 0 {} 0 0 0 50 {} 8.26928 0.02692 0.04408 ++ {0.0} {} {} 41.50386 0.84054 1.57912 ++ {0.0} {} {} 122.12211 0.33030 0.53886 ++ {0.0} {} 0.0 0.1042 0 {} 0 0 0 51 {} 8.67961 0.02767 0.01969 ++ {0.0} {} {} 40.62965 0.93538 0.53224 ++ {0.0} {} {} 122.10115 0.34986 0.19907 ++ {0.0} {} 0.0 0.0268 0 {} 0 0 0 52 {} 8.38973 0.03641 0.07763 ++ {0.0} {} {} 37.69638 0.81217 1.84132 ++ {0.0} {} {} 121.99856 0.76662 1.49354 ++ {0.0} {} 0.0 -0.2122 0 {} 0 0 0 53 {} 8.28707 0.03591 0.12472 ++ {0.0} {} {} 30.39401 0.80339 1.14770 ++ {0.0} {} {} 121.95736 0.76202 1.83623 ++ {0.0} {} 0.0 -1.3177 0 {} 0 0 0 54 {} 8.11534 0.02726 0.02453 ++ {0.0} {} {} 29.43605 0.82146 0.68585 ++ {0.0} {} {} 122.15798 0.14296 0.11936 ++ {0.0} {} 0.0 0.0330 0 {} 0 0 0 55 {} 8.28454 0.03616 0.04721 ++ {0.0} {} {} 28.88796 0.07558 0.24999 ++ {0.0} {} {} 122.01853 0.71962 1.13055 ++ {0.0} {} 0.0 0.0774 0 {} 0 0 0 56 {} 8.33931 0.03995 0.11438 ++ {0.0} {} {} 59.57480 0.95672 1.92655 ++ {0.0} {} {} 121.49999 0.76542 1.67203 ++ {0.0} {} 0.0 0.3980 0 {} 0 0 0 57 {} 8.53405 0.03165 0.03956 ++ {0.0} {} {} 59.10331 1.08815 1.38739 ++ {0.0} {} {} 121.71053 0.10410 0.13542 ++ {0.0} {} 0.0 -0.0549 0 {} 0 0 0 58 {} 7.94352 0.03422 0.02373 ++ {0.0} {} {} 58.52428 0.94640 0.46665 ++ {0.0} {} {} 121.39280 0.08941 0.04409 ++ {0.0} {} 0.0 -0.0255 0 {} 0 0 0 59 {} 7.97631 0.02195 0.02171 ++ {0.0} {} {} 57.82127 0.56825 0.56215 ++ {0.0} {} {} 121.55521 0.55280 0.54687 ++ {0.0} {} 0.0 -0.0380 0 {} 0 0 0 60 {} 8.15972 0.02156 0.02876 ++ {0.0} {} {} 56.80456 0.66551 0.99069 ++ {0.0} {} {} 121.72794 0.06538 0.09733 ++ {0.0} {} 0.0 -0.0751 0 {} 0 0 0 61 {} 8.34098 0.03239 0.05116 ++ {0.0} {} {} 36.52589 0.96465 1.68188 ++ {0.0} {} {} 121.52452 0.81519 1.41399 ++ {0.0} {} 0.0 -0.1153 0 {} 0 0 0 62 {} 8.15797 0.02608 0.03339 ++ {0.0} {} {} 30.53111 0.93792 1.31546 ++ {0.0} {} {} 121.71304 0.08387 0.11223 ++ {0.0} {} 0.0 0.0580 0 {} 0 0 0 63 {} 8.52766 0.03370 0.01816 ++ {0.0} {} {} 29.69680 0.65087 0.23490 ++ {0.0} {} {} 121.71580 0.08045 0.02903 ++ {0.0} {} 0.0 0.0234 0 {} 0 0 0 64 {} 8.11065 0.04229 0.06186 ++ {0.0} {} {} 63.56348 0.97002 1.59598 ++ {0.0} {} {} 121.06287 0.78091 1.31470 ++ {0.0} {} 0.0 -0.0970 0 {} 0 0 0 65 {} 8.48825 0.04096 0.10334 ++ {0.0} {} {} 63.22217 0.71026 1.73919 ++ {0.0} {} {} 121.15864 0.70702 1.60506 ++ {0.0} {} 0.0 0.2548 0 {} 0 0 0 66 {} 8.22145 0.03509 0.08903 ++ {0.0} {} {} 61.42539 0.70846 1.81520 ++ {0.0} {} {} 121.16497 0.67232 1.61402 ++ {0.0} {} 0.0 0.3423 0 {} 0 0 0 67 {} 8.07752 0.04015 0.08818 ++ {0.0} {} {} 59.67102 0.64074 2.01374 ++ {0.0} {} {} 120.88765 0.58712 1.43571 ++ {0.0} {} 0.0 0.3801 0 {} 0 0 0 68 {} 8.22106 0.03456 0.06088 ++ {0.0} {} {} 59.15298 0.83737 1.75987 ++ {0.0} {} {} 121.17056 0.64137 1.22684 ++ {0.0} {} 0.0 0.1467 0 {} 0 0 0 69 {} 7.70634 0.02302 0.01190 ++ {0.0} {} {} 59.13187 0.75167 0.39327 ++ {0.0} {} {} 121.03047 0.67707 0.35423 ++ {0.0} {} 0.0 -0.0260 0 {} 0 0 0 70 {} 8.40349 0.04215 0.04750 ++ {0.0} {} {} 58.23160 0.06564 0.06956 ++ {0.0} {} {} 121.08112 0.68147 0.72216 ++ {0.0} {} 0.0 -0.0408 0 {} 0 0 0 71 {} 8.35959 0.02982 0.05260 ++ {0.0} {} {} 58.26363 0.06111 0.06962 ++ {0.0} {} {} 121.20501 0.64192 0.73136 ++ {0.0} {} 0.0 -0.0446 0 {} 0 0 0 72 {} 8.40015 0.03682 0.05260 ++ {0.0} {} {} 56.84246 0.67153 2.02306 ++ {0.0} {} {} 121.05406 0.87977 1.84329 ++ {0.0} {} 0.0 1.7308 0 {} 0 0 0 73 {} 8.35381 0.03682 0.05260 ++ {0.0} {} {} 56.92641 0.73182 1.97417 ++ {0.0} {} {} 121.24000 0.97909 2.86979 ++ {0.0} {} 0.0 1.6696 0 {} 0 0 0 74 {} 8.11211 0.03682 0.05260 ++ {0.0} {} {} 56.39870 0.69700 1.80610 ++ {0.0} {} {} 121.06003 0.84049 1.83800 ++ {0.0} {} 0.0 0.3968 0 {} 0 0 0 75 {} 8.48922 0.05048 0.15781 ++ {0.0} {} {} 55.92960 0.84686 1.20980 ++ {0.0} {} {} 121.16833 0.72208 1.74704 ++ {0.0} {} 0.0 0.6309 0 {} 0 0 0 76 {} 8.35396 0.04158 0.09769 ++ {0.0} {} {} 54.53128 0.89763 1.28232 ++ {0.0} {} {} 121.20275 0.69283 1.94378 ++ {0.0} {} 0.0 0.6970 0 {} 0 0 0 77 {} 8.21048 0.02647 0.03960 ++ {0.0} {} {} 54.53635 0.91202 1.67302 ++ {0.0} {} {} 121.25790 0.08516 0.14949 ++ {0.0} {} 0.0 -0.1571 0 {} 0 0 0 78 {} 8.36252 0.03117 0.02381 ++ {0.0} {} {} 51.38538 0.64562 0.46105 ++ {0.0} {} {} 121.12172 0.68522 0.48933 ++ {0.0} {} 0.0 -0.0299 0 {} 0 0 0 79 {} 8.27197 0.01704 0.00253 ++ {0.0} {} {} 46.24627 0.32987 0.04813 ++ {0.0} {} {} 120.95730 0.62337 0.09096 ++ {0.0} {} 0.0 -0.0207 0 {} 0 0 0 80 {} 8.35357 0.03860 0.09769 ++ {0.0} {} {} 41.45996 0.80507 1.94408 ++ {0.0} {} {} 121.20808 0.68703 1.97158 ++ {0.0} {} 0.0 -0.6423 0 {} 0 0 0 81 {} 8.20962 0.02578 0.03847 ++ {0.0} {} {} 41.41407 0.74566 1.61551 ++ {0.0} {} {} 121.25782 0.08249 0.14127 ++ {0.0} {} 0.0 0.1336 0 {} 0 0 0 82 {} 8.35379 0.04589 0.05298 ++ {0.0} {} {} 39.10987 1.10183 1.61585 ++ {0.0} {} {} 121.16042 0.50934 0.63533 ++ {0.0} {} 0.0 0.0510 0 {} 0 0 0 83 {} 8.07153 0.03977 0.09343 ++ {0.0} {} {} 38.67978 0.82800 1.84108 ++ {0.0} {} {} 121.20844 1.03307 1.90608 ++ {0.0} {} 0.0 -0.2134 0 {} 0 0 0 84 {} 8.39898 0.03326 0.02708 ++ {0.0} {} {} 37.78012 0.68489 0.49100 ++ {0.0} {} {} 120.90490 0.13988 0.10028 ++ {0.0} {} 0.0 0.0299 0 {} 0 0 0 85 {} 8.22156 0.03402 0.07432 ++ {0.0} {} {} 37.56161 1.03267 1.91057 ++ {0.0} {} {} 121.15811 0.67220 1.51779 ++ {0.0} {} 0.0 -0.2311 0 {} 0 0 0 86 {} 8.63851 0.02778 0.02699 ++ {0.0} {} {} 31.05259 0.95951 0.92336 ++ {0.0} {} {} 121.09517 0.96029 0.92640 ++ {0.0} {} 0.0 -0.0370 0 {} 0 0 0 87 {} 8.48899 0.04067 0.12775 ++ {0.0} {} {} 30.98697 1.07019 1.52884 ++ {0.0} {} {} 121.17590 0.70276 1.72759 ++ {0.0} {} 0.0 -0.4905 0 {} 0 0 0 88 {} 8.40057 0.04734 0.06763 ++ {0.0} {} {} 30.48100 0.87516 1.25023 ++ {0.0} {} {} 121.04659 0.82983 2.02310 ++ {0.0} {} 0.0 -1.4034 0 {} 0 0 0 89 {} 8.35376 0.03682 0.05260 ++ {0.0} {} {} 30.49923 0.93135 1.33050 ++ {0.0} {} {} 121.23488 0.66482 2.54567 ++ {0.0} {} 0.0 -1.2262 0 {} 0 0 0 90 {} 8.10857 0.06364 0.14419 ++ {0.0} {} {} 29.42306 0.90520 1.29314 ++ {0.0} {} {} 121.04380 0.76306 1.58698 ++ {0.0} {} 0.0 -0.2796 0 {} 0 0 0 91 {} 8.21989 0.04187 0.08266 ++ {0.0} {} {} 29.21229 0.76251 1.41140 ++ {0.0} {} {} 121.15807 0.73012 1.39644 ++ {0.0} {} 0.0 -0.1031 0 {} 0 0 0 92 {} 8.39183 0.03544 0.09169 ++ {0.0} {} {} 59.58090 1.13729 1.62470 ++ {0.0} {} {} 120.65591 1.17621 3.56393 ++ {0.0} {} 0.0 0.5315 0 {} 0 0 0 93 {} 8.52807 0.03755 0.10037 ++ {0.0} {} {} 59.12226 1.09167 1.88923 ++ {0.0} {} {} 120.61643 0.78744 1.66450 ++ {0.0} {} 0.0 0.5987 0 {} 0 0 0 94 {} 8.30868 0.03604 0.03035 ++ {0.0} {} {} 59.08907 1.00501 0.75919 ++ {0.0} {} {} 120.70760 0.14724 0.11086 ++ {0.0} {} 0.0 -0.0308 0 {} 0 0 0 95 {} 7.88620 0.03522 0.03505 ++ {0.0} {} {} 59.21135 0.90311 0.89606 ++ {0.0} {} {} 120.69797 0.26728 0.26520 ++ {0.0} {} 0.0 -0.0381 0 {} 0 0 0 96 {} 8.67940 0.03458 0.06472 ++ {0.0} {} {} 58.73893 0.74303 1.54865 ++ {0.0} {} {} 120.75552 0.60801 1.24834 ++ {0.0} {} 0.0 0.1706 0 {} 0 0 0 97 {} 8.00360 0.01837 0.01937 ++ {0.0} {} {} 58.76930 0.13791 0.15042 ++ {0.0} {} {} 120.82352 0.04642 0.05063 ++ {0.0} {} 0.0 -0.0422 0 {} 0 0 0 98 {} 7.75619 0.03770 0.09632 ++ {0.0} {} {} 57.62250 1.11928 1.88922 ++ {0.0} {} {} 120.77097 0.59682 1.50792 ++ {0.0} {} 0.0 0.4224 0 {} 0 0 0 99 {} 8.68016 0.03300 0.10705 ++ {0.0} {} {} 56.47003 0.78324 1.85357 ++ {0.0} {} {} 120.78381 0.59960 1.61021 ++ {0.0} {} 0.0 0.5466 0 {} 0 0 0 100 {} 8.15673 0.03642 0.16939 ++ {0.0} {} {} 56.68684 0.86873 1.24104 ++ {0.0} {} {} 120.58702 0.80480 1.75849 ++ {0.0} {} 0.0 1.3874 0 {} 0 0 0 101 {} 8.27443 0.01606 0.00298 ++ {0.0} {} {} 55.73053 0.01523 0.00246 ++ {0.0} {} {} 120.78408 0.46710 0.07557 ++ {0.0} {} 0.0 -0.0209 0 {} 0 0 0 102 {} 8.52140 0.04184 0.11676 ++ {0.0} {} {} 54.70278 0.72599 1.89512 ++ {0.0} {} {} 120.76316 0.63894 1.71324 ++ {0.0} {} 0.0 0.4432 0 {} 0 0 0 103 {} 8.26875 0.03354 0.08266 ++ {0.0} {} {} 54.51571 0.83177 1.97740 ++ {0.0} {} {} 120.75758 0.94751 2.34260 ++ {0.0} {} 0.0 2.2899 0 {} 0 0 0 104 {} 8.26057 0.01457 0.00083 ++ {0.0} {} {} 52.91664 0.40798 0.02369 ++ {0.0} {} {} 120.71601 0.70755 0.04109 ++ {0.0} {} 0.0 -0.0198 0 {} 0 0 0 105 {} 8.24683 0.04462 0.08028 ++ {0.0} {} {} 45.27553 0.63281 1.23289 ++ {0.0} {} {} 120.63371 0.77993 1.50751 ++ {0.0} {} 0.0 0.1849 0 {} 0 0 0 106 {} 8.26867 0.03349 0.09769 ++ {0.0} {} {} 41.49154 0.83180 1.18829 ++ {0.0} {} {} 120.75716 0.65935 1.93944 ++ {0.0} {} 0.0 -2.2232 0 {} 0 0 0 107 {} 7.75683 0.03608 0.07338 ++ {0.0} {} {} 41.46052 0.85833 1.91473 ++ {0.0} {} {} 120.77167 0.58801 1.26317 ++ {0.0} {} 0.0 -0.2287 0 {} 0 0 0 108 {} 8.52085 0.04249 0.11497 ++ {0.0} {} {} 41.19253 0.74480 1.81710 ++ {0.0} {} {} 120.76663 0.63499 1.71504 ++ {0.0} {} 0.0 -0.4271 0 {} 0 0 0 109 {} 8.68021 0.03237 0.08704 ++ {0.0} {} {} 40.64806 1.03238 1.84219 ++ {0.0} {} {} 120.77982 0.60594 1.66270 ++ {0.0} {} 0.0 -0.5062 0 {} 0 0 0 110 {} 8.52082 0.03708 0.01824 ++ {0.0} {} {} 39.88577 0.10061 0.04677 ++ {0.0} {} {} 120.72967 0.75859 0.35264 ++ {0.0} {} 0.0 0.0250 0 {} 0 0 0 111 {} 8.26683 0.03562 0.04493 ++ {0.0} {} {} 39.92351 0.13375 0.38820 ++ {0.0} {} {} 120.71033 0.80082 1.09527 ++ {0.0} {} 0.0 0.0564 0 {} 0 0 0 112 {} 8.15704 0.03562 0.14278 ++ {0.0} {} {} 30.52387 1.01541 1.45058 ++ {0.0} {} {} 120.58299 0.77624 1.72774 ++ {0.0} {} 0.0 -0.8550 0 {} 0 0 0 113 {} 8.67788 0.03229 0.06155 ++ {0.0} {} {} 29.99904 0.87994 1.77621 ++ {0.0} {} {} 120.75359 0.66313 1.35906 ++ {0.0} {} 0.0 -0.1297 0 {} 0 0 0 114 {} 8.52872 0.03635 0.08747 ++ {0.0} {} {} 29.95044 1.05626 1.50895 ++ {0.0} {} {} 120.62212 0.80375 1.68969 ++ {0.0} {} 0.0 -0.3743 0 {} 0 0 0 115 {} 7.75555 0.03318 0.04864 ++ {0.0} {} {} 30.02198 0.91612 1.55753 ++ {0.0} {} {} 120.75980 0.67578 1.12522 ++ {0.0} {} 0.0 -0.0876 0 {} 0 0 0 116 {} 7.88936 0.03519 0.01559 ++ {0.0} {} {} 29.15013 0.86515 0.31187 ++ {0.0} {} {} 120.68314 0.28267 0.10190 ++ {0.0} {} 0.0 0.0234 0 {} 0 0 0 117 {} 8.39090 0.03580 0.07387 ++ {0.0} {} {} 28.23290 0.89582 1.98373 ++ {0.0} {} {} 120.56757 1.12721 2.46701 ++ {0.0} {} 0.0 -0.2741 0 {} 0 0 0 118 {} 7.98205 0.03395 0.07621 ++ {0.0} {} {} 64.83937 0.64817 1.53585 ++ {0.0} {} {} 120.24505 0.66541 1.57658 ++ {0.0} {} 0.0 0.2644 0 {} 0 0 0 119 {} 8.21626 0.02640 0.00801 ++ {0.0} {} {} 61.52597 0.67180 0.16852 ++ {0.0} {} {} 120.00157 0.10643 0.02670 ++ {0.0} {} 0.0 -0.0220 0 {} 0 0 0 120 {} 8.16625 0.04000 0.07761 ++ {0.0} {} {} 60.29891 0.69104 1.64993 ++ {0.0} {} {} 120.25863 0.63795 1.36027 ++ {0.0} {} 0.0 0.1805 0 {} 0 0 0 121 {} 8.21478 0.01625 0.00839 ++ {0.0} {} {} 59.14713 0.66362 0.35261 ++ {0.0} {} {} 120.20565 0.15510 0.08241 ++ {0.0} {} 0.0 -0.0261 0 {} 0 0 0 122 {} 7.97314 0.03626 0.08989 ++ {0.0} {} {} 57.72787 0.76902 2.06084 ++ {0.0} {} {} 120.28540 0.63334 1.71152 ++ {0.0} {} 0.0 0.8058 0 {} 0 0 0 123 {} 8.48364 0.01794 0.00959 ++ {0.0} {} {} 55.86591 0.63614 0.27722 ++ {0.0} {} {} 119.98098 0.06743 0.02939 ++ {0.0} {} 0.0 -0.0246 0 {} 0 0 0 124 {} 8.20838 0.03172 0.11502 ++ {0.0} {} {} 54.52826 0.86141 1.94772 ++ {0.0} {} {} 120.08453 0.78571 1.85683 ++ {0.0} {} 0.0 2.2811 0 {} 0 0 0 125 {} 8.20480 0.02526 0.01690 ++ {0.0} {} {} 45.67743 0.67018 0.95740 ++ {0.0} {} {} 120.00757 0.38986 0.15662 ++ {0.0} {} 0.0 -0.0240 0 {} 0 0 0 126 {} 8.20834 0.03547 0.10452 ++ {0.0} {} {} 41.39209 0.74538 1.06483 ++ {0.0} {} {} 120.09433 0.78673 1.85342 ++ {0.0} {} 0.0 -1.9907 0 {} 0 0 0 127 {} 7.98193 0.03353 0.07142 ++ {0.0} {} {} 38.08861 1.06094 1.88243 ++ {0.0} {} {} 120.24770 0.67723 1.54159 ++ {0.0} {} 0.0 -0.2024 0 {} 0 0 0 128 {} 8.21543 0.02435 0.00088 ++ {0.0} {} {} 37.64559 0.47826 0.04665 ++ {0.0} {} {} 120.02409 0.16751 0.00743 ++ {0.0} {} 0.0 0.0196 0 {} 0 0 0 129 {} 8.39212 0.03010 0.03700 ++ {0.0} {} {} 36.23036 0.69083 0.92451 ++ {0.0} {} {} 120.35892 0.61398 0.82166 ++ {0.0} {} 0.0 -0.0580 0 {} 0 0 0 130 {} 8.16331 0.03633 0.06869 ++ {0.0} {} {} 36.19245 0.82670 1.80062 ++ {0.0} {} {} 120.28075 0.60777 1.14966 ++ {0.0} {} 0.0 -0.1487 0 {} 0 0 0 131 {} 7.97457 0.03662 0.07510 ++ {0.0} {} {} 30.51340 0.99173 1.41675 ++ {0.0} {} {} 120.26324 0.70572 1.75964 ++ {0.0} {} 0.0 -0.5000 0 {} 0 0 0 132 {} 7.86069 0.02633 0.00852 ++ {0.0} {} {} 30.44530 0.75034 0.13207 ++ {0.0} {} {} 120.33512 0.08164 0.01437 ++ {0.0} {} 0.0 0.0211 0 {} 0 0 0 133 {} 7.70063 0.03410 0.04264 ++ {0.0} {} {} 64.79829 0.78330 0.97612 ++ {0.0} {} {} 119.84878 0.56945 0.70963 ++ {0.0} {} 0.0 0.0509 0 {} 0 0 0 134 {} 8.52191 0.01915 0.01670 ++ {0.0} {} {} 59.00776 1.03230 0.91461 ++ {0.0} {} {} 119.52113 0.07211 0.06389 ++ {0.0} {} 0.0 -0.0345 0 {} 0 0 0 135 {} 8.30412 0.05835 0.18787 ++ {0.0} {} {} 59.12265 1.10887 1.91217 ++ {0.0} {} {} 119.53989 0.64507 1.59919 ++ {0.0} {} 0.0 0.3703 0 {} 0 0 0 136 {} 7.70102 0.03849 0.07859 ++ {0.0} {} {} 59.12566 0.88757 1.84868 ++ {0.0} {} {} 119.86008 0.58633 1.35673 ++ {0.0} {} 0.0 0.2560 0 {} 0 0 0 137 {} 7.99835 0.03773 0.11609 ++ {0.0} {} {} 58.71093 0.80065 1.14379 ++ {0.0} {} {} 119.72164 0.79624 1.72340 ++ {0.0} {} 0.0 0.8406 0 {} 0 0 0 138 {} 7.75220 0.02127 0.03161 ++ {0.0} {} {} 57.69552 0.85546 0.49690 ++ {0.0} {} {} 119.55763 0.15460 0.08980 ++ {0.0} {} 0.0 -0.0271 0 {} 0 0 0 139 {} 8.14727 0.01579 0.00526 ++ {0.0} {} {} 56.85276 0.42022 0.13204 ++ {0.0} {} {} 119.47909 0.03109 0.00977 ++ {0.0} {} 0.0 -0.0228 0 {} 0 0 0 140 {} 8.67076 0.02395 0.02057 ++ {0.0} {} {} 56.46048 0.79398 0.65111 ++ {0.0} {} {} 119.59119 0.19173 0.15723 ++ {0.0} {} 0.0 -0.0325 0 {} 0 0 0 141 {} 8.12509 0.03138 0.02965 ++ {0.0} {} {} 54.54424 0.99212 0.77305 ++ {0.0} {} {} 119.83902 0.40079 0.31229 ++ {0.0} {} 0.0 -0.0315 0 {} 0 0 0 142 {} 8.35144 0.03814 0.08963 ++ {0.0} {} {} 51.29934 0.65616 1.86995 ++ {0.0} {} {} 119.84666 0.61848 1.70713 ++ {0.0} {} 0.0 0.5314 0 {} 0 0 0 143 {} 8.10967 0.03476 0.05612 ++ {0.0} {} {} 50.99993 0.81576 1.61333 ++ {0.0} {} {} 119.65456 0.75482 1.41381 ++ {0.0} {} 0.0 0.1221 0 {} 0 0 0 144 {} 8.13168 0.03056 0.01398 ++ {0.0} {} {} 41.69559 0.28975 0.10201 ++ {0.0} {} {} 119.80741 0.54024 0.19019 ++ {0.0} {} 0.0 0.0233 0 {} 0 0 0 145 {} 8.11013 0.03788 0.05407 ++ {0.0} {} {} 40.66507 0.72863 1.33555 ++ {0.0} {} {} 119.65728 0.81109 1.43680 ++ {0.0} {} 0.0 -0.1039 0 {} 0 0 0 146 {} 8.35153 0.03790 0.09367 ++ {0.0} {} {} 39.13175 0.97718 1.73817 ++ {0.0} {} {} 119.84055 0.62790 1.72477 ++ {0.0} {} 0.0 -0.6545 0 {} 0 0 0 147 {} 8.35691 0.03399 0.03578 ++ {0.0} {} {} 37.86544 0.08275 0.08762 ++ {0.0} {} {} 119.79913 0.69783 0.73884 ++ {0.0} {} 0.0 0.0408 0 {} 0 0 0 148 {} 7.69668 0.02043 0.02007 ++ {0.0} {} {} 38.09503 1.00077 0.98397 ++ {0.0} {} {} 119.84626 0.65098 0.63908 ++ {0.0} {} 0.0 -0.0377 0 {} 0 0 0 149 {} 7.99739 0.03975 0.10210 ++ {0.0} {} {} 29.90598 0.89688 1.28125 ++ {0.0} {} {} 119.75196 0.77597 1.81682 ++ {0.0} {} 0.0 -0.5112 0 {} 0 0 0 150 {} 7.70159 0.03724 0.06239 ++ {0.0} {} {} 29.49704 0.87504 1.73182 ++ {0.0} {} {} 119.86169 0.55341 0.95824 ++ {0.0} {} 0.0 -0.1430 0 {} 0 0 0 151 {} 8.42132 0.01911 0.00455 ++ {0.0} {} {} 29.10846 0.62007 0.14105 ++ {0.0} {} {} 119.85747 0.09071 0.02063 ++ {0.0} {} 0.0 0.0217 0 {} 0 0 0 152 {} 7.88560 0.03493 0.06948 ++ {0.0} {} {} 29.20211 0.79013 1.86696 ++ {0.0} {} {} 119.49734 0.55939 1.19730 ++ {0.0} {} 0.0 -0.3125 0 {} 0 0 0 153 {} 7.97228 0.02286 0.00329 ++ {0.0} {} {} 64.92501 0.74531 0.09682 ++ {0.0} {} {} 119.12165 0.17616 0.02288 ++ {0.0} {} 0.0 -0.0205 0 {} 0 0 0 154 {} 8.15588 0.02418 0.00766 ++ {0.0} {} {} 60.09906 1.21371 0.49080 ++ {0.0} {} {} 119.22011 0.23465 0.08836 ++ {0.0} {} 0.0 -0.0237 0 {} 0 0 0 155 {} 8.28046 0.06339 0.11272 ++ {0.0} {} {} 59.07797 1.03234 1.60377 ++ {0.0} {} {} 119.30878 0.77506 1.77604 ++ {0.0} {} 0.0 0.3437 0 {} 0 0 0 156 {} 8.20236 0.04046 0.10931 ++ {0.0} {} {} 58.77137 0.77597 2.07043 ++ {0.0} {} {} 119.08345 0.64874 1.84622 ++ {0.0} {} 0.0 0.4559 0 {} 0 0 0 157 {} 8.10150 0.03702 0.08613 ++ {0.0} {} {} 58.10863 1.17652 1.96517 ++ {0.0} {} {} 119.20052 0.79567 1.74253 ++ {0.0} {} 0.0 0.5005 0 {} 0 0 0 158 {} 7.96855 0.03215 0.02668 ++ {0.0} {} {} 57.67358 0.64486 0.55392 ++ {0.0} {} {} 119.08393 0.10373 0.08910 ++ {0.0} {} 0.0 -0.0337 0 {} 0 0 0 159 {} 8.52344 0.03252 0.05125 ++ {0.0} {} {} 57.16944 0.93848 1.54118 ++ {0.0} {} {} 119.12071 0.69423 1.12372 ++ {0.0} {} 0.0 0.0757 0 {} 0 0 0 160 {} 7.85657 0.04069 0.07028 ++ {0.0} {} {} 56.27588 0.66283 1.09815 ++ {0.0} {} {} 119.21499 0.78382 1.38020 ++ {0.0} {} 0.0 0.1119 0 {} 0 0 0 161 {} 8.17827 0.03396 0.08223 ++ {0.0} {} {} 54.54495 0.94649 1.97013 ++ {0.0} {} {} 119.45249 0.60096 1.81460 ++ {0.0} {} 0.0 1.6630 0 {} 0 0 0 162 {} 8.17648 0.01133 0.00079 ++ {0.0} {} {} 45.59210 0.97305 0.06647 ++ {0.0} {} {} 119.43253 0.65938 0.04615 ++ {0.0} {} 0.0 -0.0199 0 {} 0 0 0 163 {} 8.17822 0.03438 0.17003 ++ {0.0} {} {} 41.18414 0.76437 1.87024 ++ {0.0} {} {} 119.44814 0.59680 1.79168 ++ {0.0} {} 0.0 -1.6168 0 {} 0 0 0 164 {} 8.17759 0.03450 0.04969 ++ {0.0} {} {} 39.86625 0.07948 0.11911 ++ {0.0} {} {} 119.44744 0.60730 0.91014 ++ {0.0} {} 0.0 0.0766 0 {} 0 0 0 165 {} 7.85538 0.03861 0.05529 ++ {0.0} {} {} 36.82063 0.68872 1.09372 ++ {0.0} {} {} 119.22609 0.77118 1.28905 ++ {0.0} {} 0.0 -0.0932 0 {} 0 0 0 166 {} 8.10152 0.03823 0.08522 ++ {0.0} {} {} 30.03944 1.00543 1.43633 ++ {0.0} {} {} 119.21893 0.85692 1.85877 ++ {0.0} {} 0.0 -0.4207 0 {} 0 0 0 167 {} 8.20199 0.02913 0.05658 ++ {0.0} {} {} 28.45028 1.46511 2.09301 ++ {0.0} {} {} 119.05853 0.61577 1.47137 ++ {0.0} {} 0.0 -0.2227 0 {} 0 0 0 168 {} 8.05157 0.01734 0.00920 ++ {0.0} {} {} 28.46587 0.71527 0.38872 ++ {0.0} {} {} 119.31906 0.28131 0.15288 ++ {0.0} {} 0.0 0.0264 0 {} 0 0 0 169 {} 8.41567 0.03680 0.07971 ++ {0.0} {} {} 59.59000 1.14153 1.63075 ++ {0.0} {} {} 118.78502 0.78838 1.66572 ++ {0.0} {} 0.0 0.4528 0 {} 0 0 0 170 {} 7.99184 0.02337 0.02293 ++ {0.0} {} {} 58.74572 0.58205 0.56580 ++ {0.0} {} {} 118.59777 0.05954 0.05788 ++ {0.0} {} 0.0 -0.0374 0 {} 0 0 0 171 {} 7.86498 0.03869 0.08778 ++ {0.0} {} {} 58.60097 1.09732 1.60043 ++ {0.0} {} {} 118.74995 1.37159 2.29102 ++ {0.0} {} 0.0 0.5200 0 {} 0 0 0 172 {} 8.32548 0.03824 0.08957 ++ {0.0} {} {} 57.55676 1.06158 1.82326 ++ {0.0} {} {} 118.93356 0.59762 1.60200 ++ {0.0} {} 0.0 0.5165 0 {} 0 0 0 173 {} 7.66443 0.01891 0.03286 ++ {0.0} {} {} 56.99580 0.83267 0.69576 ++ {0.0} {} {} 118.97546 0.05995 0.05009 ++ {0.0} {} 0.0 -0.0330 0 {} 0 0 0 174 {} 7.62767 0.00790 0.01586 ++ {0.0} {} {} 56.98367 0.90009 0.82094 ++ {0.0} {} {} 118.94456 0.08765 0.07994 ++ {0.0} {} 0.0 -0.0353 0 {} 0 0 0 175 {} 8.26652 0.03261 0.03014 ++ {0.0} {} {} 41.53463 0.82020 0.72938 ++ {0.0} {} {} 118.55554 0.31573 0.28077 ++ {0.0} {} 0.0 0.0346 0 {} 0 0 0 176 {} 8.41535 0.03495 0.05244 ++ {0.0} {} {} 37.69823 0.76419 1.29849 ++ {0.0} {} {} 118.78200 0.80667 1.28526 ++ {0.0} {} 0.0 -0.0865 0 {} 0 0 0 177 {} 7.62727 0.02791 0.02769 ++ {0.0} {} {} 30.55289 1.02368 1.01607 ++ {0.0} {} {} 118.92919 0.11873 0.11778 ++ {0.0} {} 0.0 0.0381 0 {} 0 0 0 178 {} 7.98941 0.01802 0.01029 ++ {0.0} {} {} 29.97702 0.77758 0.42073 ++ {0.0} {} {} 118.59349 0.09288 0.05025 ++ {0.0} {} 0.0 0.0263 0 {} 0 0 0 179 {} 7.68583 0.02894 0.00604 ++ {0.0} {} {} 29.51054 0.94363 0.17545 ++ {0.0} {} {} 118.90263 0.18026 0.03352 ++ {0.0} {} 0.0 0.0212 0 {} 0 0 0 180 {} 8.41513 0.03856 0.11272 ++ {0.0} {} {} 29.13495 1.03772 1.78004 ++ {0.0} {} {} 118.79121 0.78734 1.56836 ++ {0.0} {} 0.0 -0.2670 0 {} 0 0 0 181 {} 8.32547 0.03738 0.10318 ++ {0.0} {} {} 29.08531 1.03732 1.69067 ++ {0.0} {} {} 118.96999 0.58150 1.40372 ++ {0.0} {} 0.0 -0.3649 0 {} 0 0 0 182 {} 8.15837 0.03822 0.14249 ++ {0.0} {} {} 59.03998 1.13444 1.62063 ++ {0.0} {} {} 118.39928 0.89937 1.95704 ++ {0.0} {} 0.0 0.4344 0 {} 0 0 0 183 {} 8.04931 0.03864 0.10188 ++ {0.0} {} {} 58.78311 0.71945 1.91481 ++ {0.0} {} {} 118.13692 0.57103 1.56153 ++ {0.0} {} 0.0 0.3468 0 {} 0 0 0 184 {} 7.75534 0.02632 0.00133 ++ {0.0} {} {} 58.69075 0.87253 0.02293 ++ {0.0} {} {} 118.33131 0.93305 0.02452 ++ {0.0} {} 0.0 -0.0195 0 {} 0 0 0 185 {} 8.17192 0.03757 0.03826 ++ {0.0} {} {} 57.10057 0.99224 1.00470 ++ {0.0} {} {} 118.44239 0.18386 0.18723 ++ {0.0} {} 0.0 -0.0391 0 {} 0 0 0 186 {} 8.26491 0.02589 0.01844 ++ {0.0} {} {} 54.51911 0.75944 0.42631 ++ {0.0} {} {} 118.49400 1.10293 0.78810 ++ {0.0} {} 0.0 -0.0267 0 {} 0 0 0 187 {} 8.17793 0.04414 0.04840 ++ {0.0} {} {} 54.37687 0.19676 0.23020 ++ {0.0} {} {} 118.14256 0.07842 0.09175 ++ {0.0} {} 0.0 -0.0463 0 {} 0 0 0 188 {} 8.18970 0.04685 0.06727 ++ {0.0} {} {} 46.42086 0.71222 1.22771 ++ {0.0} {} {} 118.30136 0.81052 1.35998 ++ {0.0} {} 0.0 0.0971 0 {} 0 0 0 189 {} 7.86695 0.03571 0.05019 ++ {0.0} {} {} 41.45256 0.74211 1.20853 ++ {0.0} {} {} 118.44949 0.65981 1.01327 ++ {0.0} {} 0.0 -0.0827 0 {} 0 0 0 190 {} 8.17151 0.03128 0.02702 ++ {0.0} {} {} 36.55405 1.01947 0.80307 ++ {0.0} {} {} 118.41420 0.17849 0.13981 ++ {0.0} {} 0.0 0.0316 0 {} 0 0 0 191 {} 8.34103 0.01997 0.00549 ++ {0.0} {} {} 30.56561 0.81287 0.26444 ++ {0.0} {} {} 118.29350 0.95602 0.31183 ++ {0.0} {} 0.0 0.0229 0 {} 0 0 0 192 {} 8.19000 0.05499 0.11325 ++ {0.0} {} {} 29.94556 0.76194 1.65246 ++ {0.0} {} {} 118.34993 0.88972 1.69103 ++ {0.0} {} 0.0 -0.1373 0 {} 0 0 0 193 {} 8.09035 0.02516 0.01319 ++ {0.0} {} {} 30.02310 1.01444 0.27143 ++ {0.0} {} {} 118.12689 0.07041 0.01884 ++ {0.0} {} 0.0 0.0222 0 {} 0 0 0 194 {} 7.86698 0.03115 0.06754 ++ {0.0} {} {} 29.58722 0.99617 1.88097 ++ {0.0} {} {} 118.50970 0.56492 1.22654 ++ {0.0} {} 0.0 -0.2943 0 {} 0 0 0 195 {} 8.04977 0.03664 0.07396 ++ {0.0} {} {} 28.50702 1.05681 1.94491 ++ {0.0} {} {} 118.12672 0.55612 1.06419 ++ {0.0} {} 0.0 -0.2527 0 {} 0 0 0 196 {} 8.15913 0.03738 0.07494 ++ {0.0} {} {} 28.20530 0.78092 1.81867 ++ {0.0} {} {} 118.39423 0.68051 1.59281 ++ {0.0} {} 0.0 -0.2422 0 {} 0 0 0 197 {} 8.51800 0.03813 0.06818 ++ {0.0} {} {} 65.04946 0.94616 1.75443 ++ {0.0} {} {} 117.80824 0.73281 1.40496 ++ {0.0} {} 0.0 0.1419 0 {} 0 0 0 198 {} 8.41263 0.03231 0.02783 ++ {0.0} {} {} 59.66207 0.88346 0.73550 ++ {0.0} {} {} 117.67491 0.09235 0.07688 ++ {0.0} {} 0.0 -0.0329 0 {} 0 0 0 199 {} 8.51723 0.03894 0.12471 ++ {0.0} {} {} 58.76160 0.69473 1.85344 ++ {0.0} {} {} 117.81902 0.79698 1.63258 ++ {0.0} {} 0.0 0.3896 0 {} 0 0 0 200 {} 8.31597 0.02723 0.01859 ++ {0.0} {} {} 57.46417 0.81360 0.53231 ++ {0.0} {} {} 117.75208 0.22027 0.14411 ++ {0.0} {} 0.0 -0.0285 0 {} 0 0 0 201 {} 7.66432 0.03682 0.05260 ++ {0.0} {} {} 56.93327 0.72862 1.90490 ++ {0.0} {} {} 117.88528 0.75219 1.66357 ++ {0.0} {} 0.0 0.4598 0 {} 0 0 0 202 {} 7.63258 0.03682 0.05260 ++ {0.0} {} {} 56.95458 0.78586 1.12266 ++ {0.0} {} {} 117.82670 0.80345 1.66714 ++ {0.0} {} 0.0 0.4813 0 {} 0 0 0 203 {} 8.39985 0.02068 0.01686 ++ {0.0} {} {} 56.17089 0.93572 0.77212 ++ {0.0} {} {} 117.92709 0.24195 0.19964 ++ {0.0} {} 0.0 -0.0327 0 {} 0 0 0 204 {} 8.40708 0.03682 0.02573 ++ {0.0} {} {} 36.89863 0.90499 0.54779 ++ {0.0} {} {} 117.89176 0.23258 0.14078 ++ {0.0} {} 0.0 0.0275 0 {} 0 0 0 205 {} 8.51862 0.03892 0.05569 ++ {0.0} {} {} 32.97095 0.92146 1.72410 ++ {0.0} {} {} 117.79458 0.76419 1.29653 ++ {0.0} {} 0.0 -0.0850 0 {} 0 0 0 206 {} 7.62938 0.04471 0.11569 ++ {0.0} {} {} 30.60367 1.06503 1.81527 ++ {0.0} {} {} 117.81544 0.76709 1.60432 ++ {0.0} {} 0.0 -0.3771 0 {} 0 0 0 207 {} 8.51653 0.03810 0.09919 ++ {0.0} {} {} 29.48068 0.85617 1.88992 ++ {0.0} {} {} 117.81223 0.79113 1.64231 ++ {0.0} {} 0.0 -0.2508 0 {} 0 0 0 208 {} 8.41364 0.02274 0.00106 ++ {0.0} {} {} 29.09879 0.94133 0.02977 ++ {0.0} {} {} 117.67995 0.09346 0.00296 ++ {0.0} {} 0.0 0.0195 0 {} 0 0 0 209 {} 8.31812 0.02098 0.00965 ++ {0.0} {} {} 29.03967 1.02437 0.50860 ++ {0.0} {} {} 117.65397 0.22491 0.11167 ++ {0.0} {} 0.0 0.0255 0 {} 0 0 0 210 {} 7.66782 0.03599 0.07050 ++ {0.0} {} {} 29.12951 0.88666 1.80747 ++ {0.0} {} {} 117.90221 0.71414 1.54552 ++ {0.0} {} 0.0 -0.2151 0 {} 0 0 0 211 {} 7.85727 0.02749 0.02475 ++ {0.0} {} {} 58.65733 0.74705 0.67896 ++ {0.0} {} {} 117.32510 0.41303 0.37539 ++ {0.0} {} 0.0 -0.0352 0 {} 0 0 0 212 {} 8.16919 0.03695 0.08177 ++ {0.0} {} {} 57.10401 0.91716 1.83862 ++ {0.0} {} {} 117.30542 0.64887 1.48834 ++ {0.0} {} 0.0 0.3214 0 {} 0 0 0 213 {} 8.16934 0.03654 0.07999 ++ {0.0} {} {} 36.53175 1.04977 1.95444 ++ {0.0} {} {} 117.30621 0.65116 1.46240 ++ {0.0} {} 0.0 -0.2681 0 {} 0 0 0 214 {} 8.38485 0.01792 0.00993 ++ {0.0} {} {} 63.63551 0.93718 0.50901 ++ {0.0} {} {} 116.82690 0.72663 0.39466 ++ {0.0} {} 0.0 -0.0264 0 {} 0 0 0 215 {} 8.40624 0.03217 0.04192 ++ {0.0} {} {} 61.42995 0.71280 1.02984 ++ {0.0} {} {} 116.80381 0.63087 0.91146 ++ {0.0} {} 0.0 0.0692 0 {} 0 0 0 216 {} 8.50726 0.03050 0.01178 ++ {0.0} {} {} 58.67789 0.74309 0.28113 ++ {0.0} {} {} 116.73689 0.08039 0.03041 ++ {0.0} {} 0.0 -0.0237 0 {} 0 0 0 217 {} 8.39417 0.04416 0.03173 ++ {0.0} {} {} 58.65513 0.77854 0.39774 ++ {0.0} {} {} 116.84747 0.77547 0.39617 ++ {0.0} {} 0.0 0.0258 0 {} 0 0 0 218 {} 7.62048 0.02278 0.01300 ++ {0.0} {} {} 56.90919 0.67475 0.39013 ++ {0.0} {} {} 116.72648 0.07899 0.04567 ++ {0.0} {} 0.0 -0.0270 0 {} 0 0 0 219 {} 8.40403 0.03607 0.10452 ++ {0.0} {} {} 56.31131 0.67201 1.79845 ++ {0.0} {} {} 116.75619 0.56620 1.28284 ++ {0.0} {} 0.0 0.3678 0 {} 0 0 0 220 {} 8.17610 0.02586 0.01394 ++ {0.0} {} {} 41.08409 0.89890 0.45160 ++ {0.0} {} {} 117.03897 1.20771 0.69855 ++ {0.0} {} 0.0 0.0256 0 {} 0 0 0 221 {} 8.40463 0.03525 0.07472 ++ {0.0} {} {} 36.86733 0.90644 1.29492 ++ {0.0} {} {} 116.74560 0.56645 1.24698 ++ {0.0} {} 0.0 -0.3236 0 {} 0 0 0 222 {} 7.62594 0.03004 0.00794 ++ {0.0} {} {} 30.53033 0.93936 0.22127 ++ {0.0} {} {} 116.73279 0.05761 0.01357 ++ {0.0} {} 0.0 0.0218 0 {} 0 0 0 223 {} 8.21733 0.03498 0.03121 ++ {0.0} {} {} 63.57584 1.01860 0.89376 ++ {0.0} {} {} 116.58299 0.14492 0.12714 ++ {0.0} {} 0.0 0.0342 0 {} 0 0 0 224 {} 8.21595 0.03679 0.09752 ++ {0.0} {} {} 63.56342 0.97742 1.60362 ++ {0.0} {} {} 115.46391 0.68316 1.57188 ++ {0.0} {} 0.0 -0.3375 0 {} 0 0 0 225 {} 8.21725 0.02403 0.01113 ++ {0.0} {} {} 60.75228 0.15366 0.07378 ++ {0.0} {} {} 115.44374 0.71122 0.34149 ++ {0.0} {} 0.0 -0.0253 0 {} 0 0 0 226 {} 8.21628 0.04082 0.10207 ++ {0.0} {} {} 59.40648 0.67572 1.65903 ++ {0.0} {} {} 115.46790 0.72296 1.64196 ++ {0.0} {} 0.0 0.3502 0 {} 0 0 0 227 {} 8.21608 0.03788 0.06183 ++ {0.0} {} {} 57.79059 0.30745 1.09000 ++ {0.0} {} {} 115.45181 0.67391 1.17434 ++ {0.0} {} 0.0 0.0989 0 {} 0 0 0 228 {} 8.21418 0.03580 0.05460 ++ {0.0} {} {} 30.54270 0.96878 1.54882 ++ {0.0} {} {} 115.41660 0.67980 1.10897 ++ {0.0} {} 0.0 -0.0856 0 {} 0 0 0 229 {} 7.73750 0.02274 0.01725 ++ {0.0} {} {} 51.27804 0.74490 0.45776 ++ {0.0} {} {} 113.10737 0.49207 0.30239 ++ {0.0} {} 0.0 -0.0277 0 {} 0 0 0 230 {} 6.96057 0.02577 0.01974 ++ {0.0} {} {} 51.15654 0.81796 0.56472 ++ {0.0} {} {} 113.12835 0.65517 0.45233 ++ {0.0} {} 0.0 -0.0293 0 {} 0 0 0 231 {} 7.73434 0.02577 0.02674 ++ {0.0} {} {} 39.12634 0.91942 0.95952 ++ {0.0} {} {} 113.17572 0.76979 0.80336 ++ {0.0} {} 0.0 0.0402 0 {} 0 0 0 232 {} 6.96146 0.03015 0.02603 ++ {0.0} {} {} 39.11397 0.70571 0.51981 ++ {0.0} {} {} 113.13186 0.68170 0.50213 ++ {0.0} {} 0.0 0.0304 0 {} 0 0 0 233 {} 7.57740 0.04400 0.06414 ++ {0.0} {} {} 33.99258 0.85565 1.41638 ++ {0.0} {} {} 111.83742 0.84791 1.27147 ++ {0.0} {} 0.0 0.0738 0 {} 0 0 0 234 {} 6.87570 0.05051 0.07193 ++ {0.0} {} {} 33.94970 0.74367 1.08012 ++ {0.0} {} {} 111.77057 0.68073 0.98870 ++ {0.0} {} 0.0 0.0701 0 {} 0 0 0 235 {} 6.67598 0.02271 0.01245 ++ {0.0} {} {} 33.71300 0.74035 0.43862 ++ {0.0} {} {} 111.80194 0.80359 0.47609 ++ {0.0} {} 0.0 0.0273 0 {} 0 0 0 236 {} 7.58330 0.03054 0.03067 ++ {0.0} {} {} 29.38465 0.71587 0.72026 ++ {0.0} {} {} 111.91293 0.71162 0.71598 ++ {0.0} {} 0.0 -0.0386 0 {} 0 0 0 237 {} 6.87170 0.03298 0.03779 ++ {0.0} {} {} 29.38597 0.74150 0.87792 ++ {0.0} {} {} 111.81797 0.75498 0.89387 ++ {0.0} {} 0.0 -0.0471 0 {} 0 0 0 238 {} 7.53577 0.01204 0.02141 ++ {0.0} {} {} 29.25836 0.82290 0.58489 ++ {0.0} {} {} 111.80487 0.90918 0.65572 ++ {0.0} {} 0.0 -0.0298 0 {} 0 0 0 239 {} 6.91332 0.02753 0.00688 ++ {0.0} {} {} 28.52423 1.26063 0.21695 ++ {0.0} {} {} 111.68285 0.60788 0.10901 ++ {0.0} {} 0.0 -0.0211 0 {} 0 0 0 240 {} 7.63441 0.02149 0.02054 ++ {0.0} {} {} 34.04699 0.98638 0.91811 ++ {0.0} {} {} 111.29308 0.71407 0.66464 ++ {0.0} {} 0.0 0.0359 0 {} 0 0 0 241 {} 7.47844 0.03572 0.03699 ++ {0.0} {} {} 34.07718 0.98008 1.02612 ++ {0.0} {} {} 111.57149 0.60242 0.63039 ++ {0.0} {} 0.0 0.0403 0 {} 0 0 0 242 {} 6.80874 0.02178 0.01174 ++ {0.0} {} {} 34.00937 0.84378 0.42958 ++ {0.0} {} {} 111.22898 0.55732 0.28374 ++ {0.0} {} 0.0 0.0258 0 {} 0 0 0 243 {} 8.56544 0.04483 0.04374 ++ {0.0} {} {} 56.43260 0.76351 0.75514 ++ {0.0} {} {} 110.83721 0.78224 0.77366 ++ {0.0} {} 0.0 0.0380 0 {} 0 0 0 244 {} 8.56121 0.05501 0.14794 ++ {0.0} {} {} 45.29739 0.63852 1.52740 ++ {0.0} {} {} 110.80484 0.66028 1.56136 ++ {0.0} {} 0.0 0.2516 0 {} 0 0 0 245 {} 8.56801 0.03810 0.03502 ++ {0.0} {} {} 30.65807 0.71141 0.63714 ++ {0.0} {} {} 110.87554 0.83464 0.74750 ++ {0.0} {} 0.0 -0.0348 0 {} 0 0 0 246 {} 7.37830 0.03364 0.04049 ++ {0.0} {} {} 34.50045 0.86219 1.09857 ++ {0.0} {} {} 110.52294 0.68856 0.87733 ++ {0.0} {} 0.0 0.0529 0 {} 0 0 0 247 {} 6.76980 0.02808 0.02712 ++ {0.0} {} {} 34.48502 0.89595 0.84926 ++ {0.0} {} {} 110.48487 0.74954 0.71047 ++ {0.0} {} 0.0 0.0365 0 {} 0 0 0 248 {} 7.86117 0.02498 0.01357 ++ {0.0} {} {} 34.05633 1.02625 0.53259 ++ {0.0} {} {} 110.44991 0.86696 0.44516 ++ {0.0} {} 0.0 0.0258 0 {} 0 0 0 249 {} 6.67367 0.02907 0.02282 ++ {0.0} {} {} 33.99849 0.92380 0.70506 ++ {0.0} {} {} 110.33398 0.67957 0.51867 ++ {0.0} {} 0.0 0.0311 0 {} 0 0 0 250 {} 7.37959 0.02402 0.02423 ++ {0.0} {} {} 29.01314 1.07694 1.08990 ++ {0.0} {} {} 110.49008 0.73682 0.74569 ++ {0.0} {} 0.0 -0.0389 0 {} 0 0 0 251 {} 6.77246 0.03060 0.02374 ++ {0.0} {} {} 29.06844 0.90482 0.65571 ++ {0.0} {} {} 110.46836 0.82885 0.60066 ++ {0.0} {} 0.0 -0.0301 0 {} 0 0 0 252 {} 8.43495 0.03851 0.01205 ++ {0.0} {} {} 55.49747 0.77423 0.22292 ++ {0.0} {} {} 109.44711 0.73786 0.21245 ++ {0.0} {} 0.0 0.0224 0 {} 0 0 0 253 {} 8.42685 0.05603 0.12079 ++ {0.0} {} {} 44.88140 0.70862 1.60395 ++ {0.0} {} {} 109.46474 0.73640 1.50299 ++ {0.0} {} 0.0 0.1625 0 {} 0 0 0 254 {} 8.42983 0.04114 0.00742 ++ {0.0} {} {} 29.91462 0.66372 0.08050 ++ {0.0} {} {} 109.44429 0.65831 0.07984 ++ {0.0} {} 0.0 -0.0204 0 {} 0 0 0 255 {} 8.35159 0.01077 0.00065 ++ {0.0} {} {} 30.62624 0.84388 0.05070 ++ {0.0} {} {} 105.70094 0.72913 0.04380 ++ {0.0} {} 0.0 0.0198 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 HN . . 4194.63085937 Hz . . . 4.77299976349 . . 30870 10 2 . . N 15 N . . 1800 Hz . . . 120.1460003723 . . 30870 10 stop_ save_