######################### # 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 31014 _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 2 _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 . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; label dataset sw sf 1H C13 AO12_aromatic_gChsqc_031620.nv 1503.34912109 4523.03613281 599.598022461 150.772994995 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 {} 7.80469 0.03595 0.01491 ++ {0.0} {} {} 139.82834 0.84696 0.32350 ++ {0.0} {} 0.674075305462 0.0490 0 {} 0 0 0 1 {} 7.80558 0.03298 0.02043 ++ {0.0} {} {} 139.06020 0.06961 0.03578 ++ {0.0} {} 0.198355972767 0.0563 0 {} 0 0 0 2 {} 7.96073 0.02102 0.00369 ++ {0.0} {} {} 138.68753 0.13206 0.01998 ++ {0.0} {} 0.0891090556979 0.0453 0 {} 0 0 0 3 {} 7.80715 0.04406 0.12093 ++ {0.0} {} {} 138.50217 0.37745 0.78856 ++ {0.0} {} -48.9466819763 -1.6232 0 {} 0 0 0 4 {} 7.96081 0.03693 0.11139 ++ {0.0} {} {} 138.12601 0.53872 0.98949 ++ {0.0} {} -37.3282012939 -1.1785 0 {} 0 0 0 5 {} 8.01155 0.01363 0.01291 ++ {0.0} {} {} 137.57352 0.32545 0.08781 ++ {0.0} {} -0.260051220655 -0.0481 0 {} 0 0 0 6 {} 7.08166 0.03052 0.01592 ++ {0.0} {} {} 134.64323 0.71235 0.32885 ++ {0.0} {} 0.512626469135 0.0524 0 {} 0 0 0 7 {} 7.16036 0.04558 0.11933 ++ {0.0} {} {} 133.73418 0.42789 0.76638 ++ {0.0} {} -21.0671443939 -0.6257 0 {} 0 0 0 8 {} 7.08018 0.01586 0.00762 ++ {0.0} {} {} 133.77074 0.06395 0.02987 ++ {0.0} {} 0.108714938164 0.0546 0 {} 0 0 0 9 {} 7.08238 0.03695 0.13036 ++ {0.0} {} {} 133.25195 0.39250 0.80528 ++ {0.0} {} -45.348197937 -1.8664 0 {} 0 0 0 10 {} 6.80373 0.01830 0.01900 ++ {0.0} {} {} 133.24243 0.38075 0.39940 ++ {0.0} {} -0.682985961437 -0.0889 0 {} 0 0 0 11 {} 7.18718 0.07704 0.01551 ++ {0.0} {} {} 133.16458 0.30597 0.01943 ++ {0.0} {} 0.126884937286 0.0427 0 {} 0 0 0 12 {} 7.08381 0.03091 0.01025 ++ {0.0} {} {} 132.07600 0.49093 0.09902 ++ {0.0} {} -0.247263520956 -0.0461 0 {} 0 0 0 13 {} 7.26336 0.02479 0.02971 ++ {0.0} {} {} 131.81943 0.23201 0.27853 ++ {0.0} {} 1.36953020096 0.1109 0 {} 0 0 0 14 {} 7.34808 0.02837 0.02805 ++ {0.0} {} {} 131.40536 0.39942 0.39605 ++ {0.0} {} 1.0447384119 0.0825 0 {} 0 0 0 15 {} 7.26632 0.03709 0.04321 ++ {0.0} {} {} 131.38252 0.25829 0.28761 ++ {0.0} {} -1.24803972244 -0.1046 0 {} 0 0 0 16 {} 7.27320 0.03543 0.03854 ++ {0.0} {} {} 129.95959 0.36670 0.40423 ++ {0.0} {} -1.53006005287 -0.0955 0 {} 0 0 0 17 {} 7.05281 0.03213 0.11708 ++ {0.0} {} {} 119.96683 0.40307 0.85290 ++ {0.0} {} 38.0259399414 1.1960 0 {} 0 0 0 18 {} 6.98317 0.02627 0.05984 ++ {0.0} {} {} 119.72820 0.41327 0.84015 ++ {0.0} {} 19.2512626648 0.8441 0 {} 0 0 0 19 {} 6.90413 0.02905 0.07038 ++ {0.0} {} {} 119.73009 0.39787 0.78480 ++ {0.0} {} 14.0741176605 0.7954 0 {} 0 0 0 20 {} 6.80316 0.02391 0.00996 ++ {0.0} {} {} 119.59914 0.88008 0.21629 ++ {0.0} {} 0.35216075182 0.0483 0 {} 0 0 0 21 {} 6.80406 0.02738 0.03571 ++ {0.0} {} {} 118.74308 0.17072 0.23316 ++ {0.0} {} 0.883972644806 0.1419 0 {} 0 0 0 22 {} 7.05329 0.01991 0.00893 ++ {0.0} {} {} 118.24426 0.55121 0.23939 ++ {0.0} {} 0.280174911022 0.0513 0 {} 0 0 0 23 {} 6.80438 0.03203 0.11891 ++ {0.0} {} {} 118.24602 0.36140 0.71821 ++ {0.0} {} -37.1256370544 -1.9532 0 {} 0 0 0 24 {} 6.65096 0.03634 0.09815 ++ {0.0} {} {} 117.80998 0.40881 0.72105 ++ {0.0} {} -13.4998207092 -0.6034 0 {} 0 0 0 25 {} 6.80394 0.02817 0.00269 ++ {0.0} {} {} 116.72195 0.42648 0.27447 ++ {0.0} {} -0.158370524645 -0.0432 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 . 'not observed' 2105.508 Hz . . . 4.788 . . 31014 1 2 . . C 13 C-aliphatic . 'not observed' 9649.143 Hz . . . 46.153 . . 31014 1 3 . . N 15 HN . 'not observed' 1400.021 Hz . . . 119.161 . . 31014 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 31014 _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 3 _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 Automatic NOE assignments via CYANA. Structure calculation and refinement via simulated annealing carried out using X-PLOR NIH. 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 H N15 hc_co_nh.nv 2105.50805664 6595.54394531 1399.99694824 599.598022461 599.598022461 60.763999939 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 {} 7.95451 0.01578 0.02254 ++ {0.0} {} {} 4.78563 0.14867 0.02795 ++ {0.0} {} {} 130.72313 0.27226 0.05118 ++ {0.0} {} 0.304621696472 0.0784 0 {} 0 0 0 1 {} 7.93620 0.01578 0.02254 ++ {0.0} {} {} 4.78620 0.15056 0.02885 ++ {0.0} {} {} 130.68852 0.30808 0.05903 ++ {0.0} {} 0.289082825184 0.0785 0 {} 0 0 0 2 {} 8.00997 0.02036 0.01691 ++ {0.0} {} {} 2.38175 0.15096 0.11946 ++ {0.0} {} {} 130.22231 0.49788 0.39397 ++ {0.0} {} 1.22868537903 0.1175 0 {} 0 0 0 3 {} 8.08492 0.02520 0.01606 ++ {0.0} {} {} 2.37415 0.15403 0.08625 ++ {0.0} {} {} 127.78493 0.66834 0.37413 ++ {0.0} {} 0.792927503586 0.0986 0 {} 0 0 0 4 {} 7.90776 0.02630 0.03757 ++ {0.0} {} {} 3.17699 0.13622 0.09648 ++ {0.0} {} {} 127.32433 0.53271 0.37729 ++ {0.0} {} 1.93758320808 0.1099 0 {} 0 0 0 5 {} 7.77290 0.05132 0.01986 ++ {0.0} {} {} 3.13530 0.14517 0.04492 ++ {0.0} {} {} 127.37081 0.61227 0.18947 ++ {0.0} {} 0.292811870575 0.0840 0 {} 0 0 0 6 {} 8.03778 0.02729 0.05586 ++ {0.0} {} {} 4.36630 0.14649 0.31977 ++ {0.0} {} {} 127.23595 0.49282 1.40146 ++ {0.0} {} 32.0991134644 1.6516 0 {} 0 0 0 7 {} 8.03887 0.02899 0.06212 ++ {0.0} {} {} 3.17250 0.16932 0.32008 ++ {0.0} {} {} 127.25900 0.47004 1.52254 ++ {0.0} {} 126.964637756 6.5008 0 {} 0 0 0 8 {} 8.03096 0.02472 0.03305 ++ {0.0} {} {} 2.26762 0.14026 0.21533 ++ {0.0} {} {} 127.01383 0.58961 0.84650 ++ {0.0} {} 4.06875181198 0.2329 0 {} 0 0 0 9 {} 8.03881 0.02881 0.05930 ++ {0.0} {} {} 1.61601 0.09594 0.30153 ++ {0.0} {} {} 127.25871 0.46977 1.45523 ++ {0.0} {} 92.2759933472 3.3197 0 {} 0 0 0 10 {} 7.97658 0.02947 0.02188 ++ {0.0} {} {} 2.29683 0.16530 0.10926 ++ {0.0} {} {} 125.78166 0.45871 0.30321 ++ {0.0} {} 1.37182855606 0.1060 0 {} 0 0 0 11 {} 7.94572 0.02961 0.04786 ++ {0.0} {} {} 3.98109 0.12175 0.25353 ++ {0.0} {} {} 124.59679 0.60915 1.18429 ++ {0.0} {} 9.3287563324 0.5094 0 {} 0 0 0 12 {} 7.84902 0.03556 0.03555 ++ {0.0} {} {} 3.95324 0.11980 0.11975 ++ {0.0} {} {} 124.57016 0.66274 0.66246 ++ {0.0} {} 2.39006924629 0.1419 0 {} 0 0 0 13 {} 8.15921 0.02998 0.04521 ++ {0.0} {} {} 4.51382 0.11546 0.17806 ++ {0.0} {} {} 123.95930 0.42635 0.65754 ++ {0.0} {} 4.20282936096 0.3102 0 {} 0 0 0 14 {} 8.15837 0.04035 0.15309 ++ {0.0} {} {} 2.98747 0.18052 0.30873 ++ {0.0} {} {} 123.89171 0.72683 1.55846 ++ {0.0} {} 113.374061584 2.5485 0 {} 0 0 0 15 {} 8.39531 0.05408 0.13428 ++ {0.0} {} {} 2.98825 0.18449 0.30067 ++ {0.0} {} {} 123.48276 0.72504 1.33971 ++ {0.0} {} 71.9408721924 0.8643 0 {} 0 0 0 16 {} 8.39829 0.03740 0.11950 ++ {0.0} {} {} 1.67483 0.15807 0.22582 ++ {0.0} {} {} 123.53175 0.57189 1.30351 ++ {0.0} {} 38.9294204712 1.2989 0 {} 0 0 0 17 {} 8.39849 0.03703 0.08620 ++ {0.0} {} {} 1.33527 0.13162 0.18803 ++ {0.0} {} {} 123.53178 0.57987 1.21579 ++ {0.0} {} 15.3160209656 0.6056 0 {} 0 0 0 18 {} 8.42350 0.03656 0.09698 ++ {0.0} {} {} 4.16218 0.12631 0.32332 ++ {0.0} {} {} 123.10930 0.68891 1.35334 ++ {0.0} {} 40.3437042236 1.2932 0 {} 0 0 0 19 {} 8.36297 0.04193 0.13371 ++ {0.0} {} {} 3.07894 0.26580 0.37972 ++ {0.0} {} {} 123.22820 0.52714 1.29871 ++ {0.0} {} 77.8501281738 1.1094 0 {} 0 0 0 20 {} 8.42403 0.03453 0.11907 ++ {0.0} {} {} 2.11734 0.15027 0.32900 ++ {0.0} {} {} 123.09813 0.64125 1.37416 ++ {0.0} {} 63.0751113892 3.0055 0 {} 0 0 0 21 {} 8.42336 0.03439 0.12656 ++ {0.0} {} {} 0.92834 0.14568 0.32884 ++ {0.0} {} {} 123.10103 0.64917 1.36774 ++ {0.0} {} 65.5842285156 3.1563 0 {} 0 0 0 22 {} 8.14945 0.03305 0.09369 ++ {0.0} {} {} 4.25602 0.13072 0.32374 ++ {0.0} {} {} 122.70869 0.56494 1.35316 ++ {0.0} {} 42.0021324158 2.1908 0 {} 0 0 0 23 {} 8.58760 0.04533 0.01631 ++ {0.0} {} {} 2.37502 0.14293 0.04398 ++ {0.0} {} {} 122.67578 0.55593 0.17107 ++ {0.0} {} 0.234778732061 0.0839 0 {} 0 0 0 24 {} 8.14930 0.03304 0.11952 ++ {0.0} {} {} 2.24247 0.12560 0.31089 ++ {0.0} {} {} 122.70426 0.55447 1.42718 ++ {0.0} {} 124.438026428 5.1908 0 {} 0 0 0 25 {} 8.13175 0.04469 0.09949 ++ {0.0} {} {} 4.61449 0.15525 0.33269 ++ {0.0} {} {} 122.17052 0.83091 2.06317 ++ {0.0} {} 217.148605347 6.2895 0 {} 0 0 0 26 {} 8.70289 0.04038 0.07254 ++ {0.0} {} {} 4.26466 0.14806 0.26667 ++ {0.0} {} {} 122.08146 0.58105 1.06639 ++ {0.0} {} 8.57230377197 0.3791 0 {} 0 0 0 27 {} 7.97214 0.03854 0.06402 ++ {0.0} {} {} 4.09231 0.15211 0.27822 ++ {0.0} {} {} 122.04649 0.63300 1.24856 ++ {0.0} {} 10.9297332764 0.4107 0 {} 0 0 0 28 {} 8.70311 0.04099 0.12985 ++ {0.0} {} {} 3.21612 0.12164 0.31816 ++ {0.0} {} {} 122.07101 0.61063 1.31272 ++ {0.0} {} 39.4444885254 1.4685 0 {} 0 0 0 29 {} 8.08970 0.03570 0.07603 ++ {0.0} {} {} 3.11627 0.14677 0.32789 ++ {0.0} {} {} 122.12098 0.51828 1.15763 ++ {0.0} {} 20.6304569244 0.6785 0 {} 0 0 0 30 {} 8.13223 0.03036 0.08359 ++ {0.0} {} {} 2.63679 0.22472 0.32103 ++ {0.0} {} {} 122.19952 0.80743 1.98882 ++ {0.0} {} 190.920318604 3.5140 0 {} 0 0 0 31 {} 7.97273 0.03904 0.08944 ++ {0.0} {} {} 2.39600 0.14752 0.32121 ++ {0.0} {} {} 122.03669 0.64380 1.27135 ++ {0.0} {} 23.3517570496 0.8133 0 {} 0 0 0 32 {} 8.24797 0.04383 0.04607 ++ {0.0} {} {} 2.24325 0.11242 0.11934 ++ {0.0} {} {} 121.94028 0.49579 0.52633 ++ {0.0} {} 3.19568228722 0.1513 0 {} 0 0 0 33 {} 8.01239 0.03194 0.01187 ++ {0.0} {} {} 2.02602 0.14878 0.02300 ++ {0.0} {} {} 122.04838 0.83316 0.13141 ++ {0.0} {} 0.217101305723 0.0769 0 {} 0 0 0 34 {} 8.70299 0.04101 0.10331 ++ {0.0} {} {} 1.67616 0.13506 0.42447 ++ {0.0} {} {} 122.07345 0.61275 1.24690 ++ {0.0} {} 33.8464508057 0.7581 0 {} 0 0 0 35 {} 8.53855 0.03712 0.07306 ++ {0.0} {} {} 4.25994 0.14314 0.29645 ++ {0.0} {} {} 121.51537 0.46669 0.90999 ++ {0.0} {} 14.9513902664 0.5763 0 {} 0 0 0 36 {} 8.53893 0.03561 0.07838 ++ {0.0} {} {} 2.42926 0.11916 0.37451 ++ {0.0} {} {} 121.51462 0.44470 0.85669 ++ {0.0} {} 33.6249771118 0.7448 0 {} 0 0 0 37 {} 8.06926 0.02971 0.05426 ++ {0.0} {} {} 2.26848 0.13495 0.29727 ++ {0.0} {} {} 121.58662 0.52395 1.18224 ++ {0.0} {} 11.807466507 0.4754 0 {} 0 0 0 38 {} 8.33784 0.03361 0.06439 ++ {0.0} {} {} 4.04197 0.12149 0.25950 ++ {0.0} {} {} 121.31774 0.64454 1.25618 ++ {0.0} {} 19.6956634521 0.5478 0 {} 0 0 0 39 {} 8.33821 0.03518 0.09202 ++ {0.0} {} {} 2.47946 0.20736 0.29624 ++ {0.0} {} {} 121.31477 0.65297 1.30994 ++ {0.0} {} 39.4122238159 1.1417 0 {} 0 0 0 40 {} 8.23777 0.06314 0.05675 ++ {0.0} {} {} 1.15797 0.12356 0.11079 ++ {0.0} {} {} 121.46053 0.48222 0.43238 ++ {0.0} {} 3.08534502983 0.1287 0 {} 0 0 0 41 {} 8.06498 0.04734 0.11096 ++ {0.0} {} {} 4.67923 0.12235 0.30249 ++ {0.0} {} {} 120.78982 0.46055 1.23312 ++ {0.0} {} 56.8222999573 0.9828 0 {} 0 0 0 42 {} 7.99489 0.03529 0.12794 ++ {0.0} {} {} 4.10434 0.21023 0.30034 ++ {0.0} {} {} 120.82146 0.47343 1.46359 ++ {0.0} {} 47.1766700745 1.1636 0 {} 0 0 0 43 {} 8.14386 0.03418 0.07314 ++ {0.0} {} {} 4.00828 0.16147 0.31980 ++ {0.0} {} {} 121.03372 0.62206 1.37802 ++ {0.0} {} 29.0766944885 0.7640 0 {} 0 0 0 44 {} 8.36871 0.03168 0.06354 ++ {0.0} {} {} 3.51677 0.14145 0.31155 ++ {0.0} {} {} 120.99426 0.61034 1.24286 ++ {0.0} {} 15.1164484024 0.6414 0 {} 0 0 0 45 {} 8.21086 0.03301 0.05231 ++ {0.0} {} {} 3.45352 0.12005 0.20609 ++ {0.0} {} {} 120.87934 0.51982 0.92057 ++ {0.0} {} 9.39352035522 0.3720 0 {} 0 0 0 46 {} 8.36899 0.03265 0.07161 ++ {0.0} {} {} 3.06662 0.17211 0.31483 ++ {0.0} {} {} 120.98354 0.68838 1.26994 ++ {0.0} {} 19.1906147003 0.6767 0 {} 0 0 0 47 {} 8.21036 0.03318 0.06124 ++ {0.0} {} {} 3.00366 0.13088 0.25716 ++ {0.0} {} {} 120.88412 0.53368 1.02572 ++ {0.0} {} 9.24070262909 0.4221 0 {} 0 0 0 48 {} 8.14428 0.03275 0.09620 ++ {0.0} {} {} 2.37270 0.16958 0.33462 ++ {0.0} {} {} 120.99435 0.61405 1.34575 ++ {0.0} {} 79.4806976318 2.0342 0 {} 0 0 0 49 {} 8.63491 0.03773 0.05145 ++ {0.0} {} {} 4.18062 0.15236 0.22392 ++ {0.0} {} {} 120.70045 0.49862 0.69689 ++ {0.0} {} 4.81536197662 0.2357 0 {} 0 0 0 50 {} 8.07418 0.03337 0.09564 ++ {0.0} {} {} 4.05460 0.11213 0.21976 ++ {0.0} {} {} 120.63839 0.68977 1.44565 ++ {0.0} {} 22.5319957733 0.5624 0 {} 0 0 0 51 {} 8.63662 0.03865 0.03816 ++ {0.0} {} {} 3.74322 0.18103 0.17836 ++ {0.0} {} {} 120.71280 0.48837 0.48117 ++ {0.0} {} 2.64357638359 0.1399 0 {} 0 0 0 52 {} 8.31859 0.03167 0.07465 ++ {0.0} {} {} 3.12962 0.09028 0.34507 ++ {0.0} {} {} 120.59888 0.64801 1.20145 ++ {0.0} {} 23.0618724823 0.5429 0 {} 0 0 0 53 {} 7.95921 0.03711 0.03036 ++ {0.0} {} {} 3.06171 0.17477 0.13198 ++ {0.0} {} {} 120.76215 0.47023 0.35511 ++ {0.0} {} 1.94780540466 0.1141 0 {} 0 0 0 54 {} 8.07344 0.03797 0.17284 ++ {0.0} {} {} 2.71943 0.18928 0.31928 ++ {0.0} {} {} 120.65399 0.61112 1.47699 ++ {0.0} {} 88.4021911621 1.4252 0 {} 0 0 0 55 {} 8.63607 0.04114 0.06477 ++ {0.0} {} {} 2.02375 0.25447 0.36353 ++ {0.0} {} {} 120.70938 0.49778 0.75942 ++ {0.0} {} 11.0395002365 0.2993 0 {} 0 0 0 56 {} 8.32324 0.02630 0.03757 ++ {0.0} {} {} 1.69024 0.19851 0.28359 ++ {0.0} {} {} 120.50519 0.52981 1.25030 ++ {0.0} {} 29.7194747925 0.7748 0 {} 0 0 0 57 {} 8.27975 0.03244 0.15988 ++ {0.0} {} {} 1.63372 0.15934 0.22763 ++ {0.0} {} {} 120.55645 0.62190 1.41885 ++ {0.0} {} 99.7260742187 2.8818 0 {} 0 0 0 58 {} 8.27994 0.03145 0.08670 ++ {0.0} {} {} 0.89524 0.13283 0.34018 ++ {0.0} {} {} 120.55212 0.60247 1.44475 ++ {0.0} {} 66.2352600098 2.9601 0 {} 0 0 0 59 {} 7.88538 0.03024 0.06014 ++ {0.0} {} {} 4.60696 0.14527 0.29559 ++ {0.0} {} {} 120.08682 0.48541 1.07500 ++ {0.0} {} 14.9126911163 0.6299 0 {} 0 0 0 60 {} 8.17997 0.03343 0.10453 ++ {0.0} {} {} 4.56757 0.11214 0.33662 ++ {0.0} {} {} 120.21763 0.62804 1.36269 ++ {0.0} {} 84.1082687378 3.4716 0 {} 0 0 0 61 {} 8.28527 0.03455 0.10023 ++ {0.0} {} {} 4.26115 0.16746 0.30846 ++ {0.0} {} {} 120.33636 0.58961 1.54116 ++ {0.0} {} 81.144241333 2.9815 0 {} 0 0 0 62 {} 8.39785 0.03498 0.08810 ++ {0.0} {} {} 4.01507 0.16424 0.32149 ++ {0.0} {} {} 120.19329 0.57107 1.20931 ++ {0.0} {} 18.8922328949 0.7205 0 {} 0 0 0 63 {} 8.17961 0.03357 0.09759 ++ {0.0} {} {} 2.66005 0.13112 0.32671 ++ {0.0} {} {} 120.21793 0.62796 1.36719 ++ {0.0} {} 80.0286254883 3.4442 0 {} 0 0 0 64 {} 7.88574 0.03090 0.04887 ++ {0.0} {} {} 2.63619 0.23965 0.33733 ++ {0.0} {} {} 120.09840 0.49423 0.76568 ++ {0.0} {} 9.17974185944 0.3150 0 {} 0 0 0 65 {} 8.39885 0.02995 0.08067 ++ {0.0} {} {} 2.48854 0.26521 0.37888 ++ {0.0} {} {} 120.20152 0.58535 1.27077 ++ {0.0} {} 32.2832794189 0.9520 0 {} 0 0 0 66 {} 8.28807 0.03485 0.13056 ++ {0.0} {} {} 2.28009 0.13148 0.33045 ++ {0.0} {} {} 120.23860 0.64677 1.38122 ++ {0.0} {} 117.165786743 5.2294 0 {} 0 0 0 67 {} 8.39621 0.04675 0.07855 ++ {0.0} {} {} 4.40827 0.11124 0.17994 ++ {0.0} {} {} 119.97855 0.52496 0.95574 ++ {0.0} {} 11.0683717728 0.3712 0 {} 0 0 0 68 {} 8.39809 0.04655 0.06746 ++ {0.0} {} {} 3.67493 0.13413 0.37734 ++ {0.0} {} {} 119.99730 0.49855 0.72141 ++ {0.0} {} 12.5423812866 0.2568 0 {} 0 0 0 69 {} 8.39829 0.04806 0.11752 ++ {0.0} {} {} 1.95880 0.20285 0.29870 ++ {0.0} {} {} 119.99974 0.48703 1.04632 ++ {0.0} {} 30.6451683044 0.6102 0 {} 0 0 0 70 {} 8.06224 0.05660 0.14816 ++ {0.0} {} {} 3.93965 0.15883 0.32385 ++ {0.0} {} {} 119.38099 0.48110 1.17442 ++ {0.0} {} 51.7427368164 0.8070 0 {} 0 0 0 71 {} 8.38303 0.03290 0.09889 ++ {0.0} {} {} 3.34710 0.13500 0.32669 ++ {0.0} {} {} 119.65890 0.48285 1.34786 ++ {0.0} {} 46.2883872986 1.8014 0 {} 0 0 0 72 {} 8.55003 0.04099 0.07505 ++ {0.0} {} {} 4.17765 0.14105 0.26244 ++ {0.0} {} {} 119.26459 0.49350 0.86065 ++ {0.0} {} 8.76928901672 0.4010 0 {} 0 0 0 73 {} 7.76652 0.03890 0.07228 ++ {0.0} {} {} 4.01608 0.10520 0.32390 ++ {0.0} {} {} 119.21315 0.63796 1.14259 ++ {0.0} {} 12.9073696136 0.3366 0 {} 0 0 0 74 {} 7.91807 0.03508 0.08918 ++ {0.0} {} {} 3.93355 0.17335 0.29108 ++ {0.0} {} {} 119.22778 0.56061 1.28014 ++ {0.0} {} 26.0520000458 0.8294 0 {} 0 0 0 75 {} 7.88736 0.03090 0.08266 ++ {0.0} {} {} 3.23055 0.14299 0.32223 ++ {0.0} {} {} 119.20713 0.58668 1.32369 ++ {0.0} {} 33.8360748291 1.4899 0 {} 0 0 0 76 {} 7.76674 0.03465 0.07872 ++ {0.0} {} {} 3.14275 0.16055 0.33607 ++ {0.0} {} {} 119.23074 0.53674 1.23076 ++ {0.0} {} 21.1716079712 0.7626 0 {} 0 0 0 77 {} 8.55033 0.04263 0.11399 ++ {0.0} {} {} 2.42043 0.12402 0.29820 ++ {0.0} {} {} 119.26179 0.50410 1.25938 ++ {0.0} {} 33.5808029175 0.9644 0 {} 0 0 0 78 {} 8.20485 0.03752 0.08879 ++ {0.0} {} {} 2.34140 0.12510 0.39318 ++ {0.0} {} {} 119.10117 0.54615 1.24082 ++ {0.0} {} 34.5009727478 0.6624 0 {} 0 0 0 79 {} 7.76653 0.03670 0.08463 ++ {0.0} {} {} 1.86006 0.19851 0.28359 ++ {0.0} {} {} 119.21761 0.55844 1.20618 ++ {0.0} {} 25.3050556183 0.6448 0 {} 0 0 0 80 {} 7.91801 0.04054 0.09821 ++ {0.0} {} {} 1.78021 0.13892 0.43661 ++ {0.0} {} {} 119.18053 0.65898 1.34473 ++ {0.0} {} 92.6996078491 1.5452 0 {} 0 0 0 81 {} 8.36148 0.04053 0.05745 ++ {0.0} {} {} 1.40947 0.12074 0.18109 ++ {0.0} {} {} 119.20208 0.64086 1.06572 ++ {0.0} {} 6.98216915131 0.2839 0 {} 0 0 0 82 {} 7.91943 0.03345 0.08722 ++ {0.0} {} {} 0.92728 0.15286 0.32006 ++ {0.0} {} {} 119.15661 0.63654 1.29541 ++ {0.0} {} 23.6231708527 1.2542 0 {} 0 0 0 83 {} 7.94859 0.02934 0.02229 ++ {0.0} {} {} 4.65619 0.11433 0.08207 ++ {0.0} {} {} 118.92525 0.49842 0.35779 ++ {0.0} {} 1.4159090519 0.1107 0 {} 0 0 0 84 {} 8.21641 0.03948 0.18227 ++ {0.0} {} {} 4.06075 0.11818 0.35896 ++ {0.0} {} {} 118.80428 0.65734 1.39749 ++ {0.0} {} 322.747619629 10.2152 0 {} 0 0 0 85 {} 7.80877 0.05295 0.10992 ++ {0.0} {} {} 4.06178 0.12787 0.12261 ++ {0.0} {} {} 118.86299 0.63400 0.60790 ++ {0.0} {} 8.8193025589 0.1364 0 {} 0 0 0 86 {} 7.94832 0.03108 0.06645 ++ {0.0} {} {} 3.22474 0.19851 0.28359 ++ {0.0} {} {} 118.93401 0.47937 1.02610 ++ {0.0} {} 25.6768894196 0.6326 0 {} 0 0 0 87 {} 8.19823 0.03925 0.03926 ++ {0.0} {} {} 2.92346 0.11257 0.11258 ++ {0.0} {} {} 118.73976 0.54268 0.54274 ++ {0.0} {} 2.60270452499 0.1420 0 {} 0 0 0 88 {} 7.50499 0.03553 0.05753 ++ {0.0} {} {} 4.34222 0.13383 0.24538 ++ {0.0} {} {} 118.27263 0.45765 0.73167 ++ {0.0} {} 8.43260955811 0.3539 0 {} 0 0 0 89 {} 8.23218 0.03698 0.00721 ++ {0.0} {} {} 10.22230 0.10793 0.01135 ++ {0.0} {} {} 118.11375 0.57201 0.06014 ++ {0.0} {} 0.14528042078 0.0749 0 {} 0 0 0 90 {} 8.01776 0.03142 0.04650 ++ {0.0} {} {} 3.84613 0.16817 0.25524 ++ {0.0} {} {} 118.20889 0.49859 0.74951 ++ {0.0} {} 6.01385831833 0.2859 0 {} 0 0 0 91 {} 7.50571 0.03463 0.09522 ++ {0.0} {} {} 3.25208 0.13725 0.31542 ++ {0.0} {} {} 118.25598 0.47076 1.33565 ++ {0.0} {} 35.0537834167 1.4192 0 {} 0 0 0 92 {} 8.01748 0.02877 0.04753 ++ {0.0} {} {} 2.98816 0.15800 0.25549 ++ {0.0} {} {} 118.17009 0.53219 0.88083 ++ {0.0} {} 5.79514217377 0.3163 0 {} 0 0 0 93 {} 8.01750 0.03179 0.05653 ++ {0.0} {} {} 1.76510 0.12564 0.39486 ++ {0.0} {} {} 118.18781 0.51822 0.95933 ++ {0.0} {} 14.8436145782 0.3966 0 {} 0 0 0 94 {} 7.50567 0.03494 0.06953 ++ {0.0} {} {} 1.78823 0.21095 0.34569 ++ {0.0} {} {} 118.25848 0.46656 0.95712 ++ {0.0} {} 20.7459964752 0.6163 0 {} 0 0 0 95 {} 8.23088 0.03865 0.09945 ++ {0.0} {} {} 1.45265 0.13257 0.31616 ++ {0.0} {} {} 118.12418 0.58537 1.29135 ++ {0.0} {} 30.663476944 1.0572 0 {} 0 0 0 96 {} 8.76124 0.02766 0.01157 ++ {0.0} {} {} 4.24823 0.12454 0.04161 ++ {0.0} {} {} 117.77471 0.58739 0.19625 ++ {0.0} {} 0.299911350012 0.0852 0 {} 0 0 0 97 {} 7.92329 0.03224 0.06630 ++ {0.0} {} {} 4.15446 0.11793 0.28360 ++ {0.0} {} {} 117.56007 0.45625 0.96778 ++ {0.0} {} 19.3675823212 0.7922 0 {} 0 0 0 98 {} 8.27365 0.02992 0.05605 ++ {0.0} {} {} 4.02299 0.15040 0.28239 ++ {0.0} {} {} 117.74890 0.58253 1.16300 ++ {0.0} {} 12.6215496063 0.4543 0 {} 0 0 0 99 {} 8.76206 0.03375 0.07393 ++ {0.0} {} {} 3.50418 0.16828 0.29799 ++ {0.0} {} {} 117.77155 0.57730 1.19755 ++ {0.0} {} 11.9458427429 0.5505 0 {} 0 0 0 100 {} 8.27328 0.03154 0.07035 ++ {0.0} {} {} 3.25538 0.15161 0.31712 ++ {0.0} {} {} 117.76293 0.58461 1.26674 ++ {0.0} {} 18.981924057 0.9608 0 {} 0 0 0 101 {} 8.76210 0.03427 0.07291 ++ {0.0} {} {} 3.14391 0.14540 0.29098 ++ {0.0} {} {} 117.77007 0.57797 1.17840 ++ {0.0} {} 11.1887769699 0.5219 0 {} 0 0 0 102 {} 7.92303 0.03216 0.09901 ++ {0.0} {} {} 2.55146 0.16901 0.32917 ++ {0.0} {} {} 117.56577 0.45329 1.16448 ++ {0.0} {} 45.7311210632 1.9844 0 {} 0 0 0 103 {} 8.27361 0.02906 0.05175 ++ {0.0} {} {} 2.01744 0.27791 0.39701 ++ {0.0} {} {} 117.76600 0.57103 1.13142 ++ {0.0} {} 16.1153373718 0.4720 0 {} 0 0 0 104 {} 7.67202 0.03406 0.06531 ++ {0.0} {} {} 4.67244 0.12204 0.24515 ++ {0.0} {} {} 116.99755 0.64333 1.15461 ++ {0.0} {} 9.9111700058 0.4627 0 {} 0 0 0 105 {} 7.67230 0.03500 0.08216 ++ {0.0} {} {} 3.17116 0.15315 0.31993 ++ {0.0} {} {} 116.99834 0.64472 1.26746 ++ {0.0} {} 20.4659919739 0.8801 0 {} 0 0 0 106 {} 8.51377 0.06012 0.07773 ++ {0.0} {} {} 4.42640 0.12952 0.17185 ++ {0.0} {} {} 116.07138 0.45238 0.60023 ++ {0.0} {} 6.65126132965 0.2109 0 {} 0 0 0 107 {} 8.51256 0.05738 0.07083 ++ {0.0} {} {} 3.74841 0.22164 0.26154 ++ {0.0} {} {} 116.05961 0.45718 0.57192 ++ {0.0} {} 6.89280509949 0.1896 0 {} 0 0 0 108 {} 8.51148 0.05947 0.05836 ++ {0.0} {} {} 2.29102 0.07313 0.15635 ++ {0.0} {} {} 116.03951 0.48353 0.46990 ++ {0.0} {} 3.53977227211 0.1381 0 {} 0 0 0 109 {} 8.51402 0.06162 0.11072 ++ {0.0} {} {} 1.98314 0.14717 0.29640 ++ {0.0} {} {} 116.04696 0.48832 0.84962 ++ {0.0} {} 20.5084228516 0.4094 0 {} 0 0 0 110 {} 8.24217 0.04117 0.01591 ++ {0.0} {} {} 4.51470 0.12808 0.03928 ++ {0.0} {} {} 115.59000 0.61876 0.18975 ++ {0.0} {} 0.313048660755 0.0839 0 {} 0 0 0 111 {} 8.11939 0.07260 0.13993 ++ {0.0} {} {} 4.49029 0.10618 0.17975 ++ {0.0} {} {} 115.16294 0.61739 1.17037 ++ {0.0} {} 23.5561103821 0.4624 0 {} 0 0 0 112 {} 8.11440 0.06117 0.07316 ++ {0.0} {} {} 3.89743 0.11467 0.13460 ++ {0.0} {} {} 115.13796 0.55182 0.64773 ++ {0.0} {} 4.89737939835 0.1719 0 {} 0 0 0 113 {} 7.91879 0.03457 0.01434 ++ {0.0} {} {} 2.06353 0.14482 0.03820 ++ {0.0} {} {} 115.12907 0.52131 0.13750 ++ {0.0} {} 0.432384073734 0.0818 0 {} 0 0 0 114 {} 7.41266 0.03611 0.07405 ++ {0.0} {} {} 4.04684 0.11654 0.26607 ++ {0.0} {} {} 114.89527 0.55580 1.22459 ++ {0.0} {} 17.2620639801 0.7355 0 {} 0 0 0 115 {} 7.41310 0.03507 0.08463 ++ {0.0} {} {} 2.47004 0.21639 0.30912 ++ {0.0} {} {} 114.88963 0.57216 1.31262 ++ {0.0} {} 35.6831054687 1.3675 0 {} 0 0 0 116 {} 8.36193 0.04277 0.00649 ++ {0.0} {} {} 2.07141 0.12527 0.01393 ++ {0.0} {} {} 114.72578 0.49677 0.05523 ++ {0.0} {} 0.144752115011 0.0752 0 {} 0 0 0 117 {} 8.04681 0.03328 0.04178 ++ {0.0} {} {} 4.34011 0.13775 0.18558 ++ {0.0} {} {} 114.10708 0.68565 0.93437 ++ {0.0} {} 4.04314565659 0.2175 0 {} 0 0 0 118 {} 8.04740 0.03293 0.04337 ++ {0.0} {} {} 1.84611 0.13570 0.18734 ++ {0.0} {} {} 114.10997 0.65466 0.92524 ++ {0.0} {} 4.17049837112 0.2292 0 {} 0 0 0 119 {} 8.04683 0.03338 0.06252 ++ {0.0} {} {} 1.43976 0.17077 0.29247 ++ {0.0} {} {} 114.10925 0.65672 1.16399 ++ {0.0} {} 9.54816436768 0.4469 0 {} 0 0 0 120 {} 8.04707 0.03178 0.04533 ++ {0.0} {} {} 0.81876 0.13917 0.23108 ++ {0.0} {} {} 114.11613 0.69151 1.06054 ++ {0.0} {} 5.09695959091 0.2842 0 {} 0 0 0 121 {} 8.04748 0.03238 0.04674 ++ {0.0} {} {} 0.44753 0.11188 0.16953 ++ {0.0} {} {} 114.12913 0.65139 1.02221 ++ {0.0} {} 5.33124494553 0.2929 0 {} 0 0 0 122 {} 7.54993 0.02686 0.02887 ++ {0.0} {} {} 2.70263 0.18036 0.19819 ++ {0.0} {} {} 112.30582 0.93179 0.99272 ++ {0.0} {} 3.13741660118 0.1559 0 {} 0 0 0 123 {} 7.49928 0.03122 0.04337 ++ {0.0} {} {} 4.26443 0.18750 0.25540 ++ {0.0} {} {} 111.88847 1.19253 1.48710 ++ {0.0} {} 9.09034252167 0.2194 0 {} 0 0 0 124 {} 7.64493 0.02147 0.01568 ++ {0.0} {} {} 4.09100 0.14911 0.09730 ++ {0.0} {} {} 112.01902 0.88385 0.58139 ++ {0.0} {} 0.976899981499 0.1054 0 {} 0 0 0 125 {} 7.64618 0.02072 0.02120 ++ {0.0} {} {} 2.55224 0.17714 0.18135 ++ {0.0} {} {} 112.02232 0.84278 0.86317 ++ {0.0} {} 2.18870544434 0.1455 0 {} 0 0 0 126 {} 6.89248 0.03253 0.04381 ++ {0.0} {} {} 2.55634 0.36094 0.51562 ++ {0.0} {} {} 111.81496 1.03608 1.52068 ++ {0.0} {} 20.6281433105 0.2456 0 {} 0 0 0 127 {} 7.36404 0.02690 0.02039 ++ {0.0} {} {} 2.37016 0.14667 0.09844 ++ {0.0} {} {} 111.91811 0.99148 0.73203 ++ {0.0} {} 1.34215128422 0.1069 0 {} 0 0 0 128 {} 6.85230 0.02897 0.03236 ++ {0.0} {} {} 4.27882 0.16075 0.18558 ++ {0.0} {} {} 111.68176 0.81483 0.94229 ++ {0.0} {} 4.4354596138 0.1679 0 {} 0 0 0 129 {} 6.89140 0.04381 0.04991 ++ {0.0} {} {} 4.12910 0.16886 0.21776 ++ {0.0} {} {} 111.71142 0.85318 1.06477 ++ {0.0} {} 9.87472057343 0.1814 0 {} 0 0 0 130 {} 7.48084 0.02650 0.02983 ++ {0.0} {} {} 2.54076 0.16410 0.19180 ++ {0.0} {} {} 111.52006 1.10063 1.24956 ++ {0.0} {} 4.41195774078 0.1699 0 {} 0 0 0 131 {} 7.49973 0.02847 0.03754 ++ {0.0} {} {} 2.30964 0.17963 0.24514 ++ {0.0} {} {} 111.77586 0.70691 0.98010 ++ {0.0} {} 8.86449432373 0.2081 0 {} 0 0 0 132 {} 6.85213 0.02824 0.03588 ++ {0.0} {} {} 2.29711 0.16799 0.22068 ++ {0.0} {} {} 111.66188 0.82552 1.07352 ++ {0.0} {} 5.01732110977 0.2022 0 {} 0 0 0 133 {} 8.40800 0.04242 0.08561 ++ {0.0} {} {} 4.28375 0.14385 0.29174 ++ {0.0} {} {} 110.43626 0.52352 1.13116 ++ {0.0} {} 15.2089653015 0.5630 0 {} 0 0 0 134 {} 8.40810 0.04250 0.15376 ++ {0.0} {} {} 2.30151 0.15535 0.32354 ++ {0.0} {} {} 110.43623 0.51038 1.30210 ++ {0.0} {} 52.934589386 1.9348 0 {} 0 0 0 135 {} 7.16045 0.02574 0.00680 ++ {0.0} {} {} 4.01522 0.16683 0.04294 ++ {0.0} {} {} 110.06499 0.82783 0.21176 ++ {0.0} {} 0.292771458626 0.0815 0 {} 0 0 0 136 {} 7.16086 0.02180 0.00046 ++ {0.0} {} {} 2.49045 0.27453 0.00730 ++ {0.0} {} {} 109.98529 0.74315 0.01471 ++ {0.0} {} 0.142958700657 0.0717 0 {} 0 0 0 137 {} 6.83188 0.02672 0.00753 ++ {0.0} {} {} 4.01975 0.15934 0.03832 ++ {0.0} {} {} 109.87970 0.69672 0.16754 ++ {0.0} {} 0.15200278163 0.0807 0 {} 0 0 0 138 {} 8.30530 0.03534 0.01979 ++ {0.0} {} {} 4.01332 0.16850 0.09188 ++ {0.0} {} {} 108.92081 0.58448 0.31921 ++ {0.0} {} 1.32571673393 0.0977 0 {} 0 0 0 139 {} 8.31059 0.02325 0.01756 ++ {0.0} {} {} 3.76892 0.14340 0.10074 ++ {0.0} {} {} 108.59280 0.51463 0.36154 ++ {0.0} {} 1.13446557522 0.1094 0 {} 0 0 0 140 {} 8.02301 0.03315 0.03201 ++ {0.0} {} {} 4.08783 0.14913 0.14439 ++ {0.0} {} {} 108.12841 0.52761 0.51082 ++ {0.0} {} 2.52187824249 0.1376 0 {} 0 0 0 141 {} 8.02467 0.05045 0.08535 ++ {0.0} {} {} 2.90792 0.14582 0.27044 ++ {0.0} {} {} 108.10870 0.51218 0.95370 ++ {0.0} {} 12.4114637375 0.4002 0 {} 0 0 0 142 {} 8.02996 0.03658 0.04498 ++ {0.0} {} {} 1.37422 0.13107 0.16863 ++ {0.0} {} {} 108.06256 0.53234 0.68489 ++ {0.0} {} 4.88217115402 0.1990 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 . 'not observed' 2105.508 Hz . . . 4.788 . . 31014 2 2 . . C 13 C-aliphatic . 'not observed' 9649.142 Hz . . . 46.153 . . 31014 2 3 . . N 15 HN . 'not observed' 1400.021 Hz . . . 119.161 . . 31014 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 31014 _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 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 Automatic NOE assignments via CYANA. Structure calculation and refinement via simulated annealing carried out using X-PLOR NIH. 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 1H C13 cHSQC.nv 3600.66455078 10553.75 599.598022461 150.772994995 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 {} 4.79943 0.03381 0.02159 ++ {0.0} {} {} 62.60254 0.11406 0.06803 ++ {0.0} {} 4.10921096802 0.6005 0 {} 0 0 0 1 {} 4.67232 0.03872 0.07166 ++ {0.0} {} {} 56.20668 0.15360 0.24885 ++ {0.0} {} 47.4036636353 3.6285 0 {} 0 0 0 2 {} 4.67339 0.03565 0.07049 ++ {0.0} {} {} 53.06243 0.14991 0.25898 ++ {0.0} {} 60.4588890076 4.6431 0 {} 0 0 0 3 {} 4.66415 0.04569 0.05521 ++ {0.0} {} {} 55.59449 0.18959 0.22446 ++ {0.0} {} 19.5837554932 1.1838 0 {} 0 0 0 4 {} 4.64489 0.04622 0.05268 ++ {0.0} {} {} 60.18409 0.16813 0.19885 ++ {0.0} {} 16.8645706177 1.0197 0 {} 0 0 0 5 {} 4.61369 0.05062 0.10509 ++ {0.0} {} {} 54.30982 0.15402 0.27028 ++ {0.0} {} 268.368560791 11.0803 0 {} 0 0 0 6 {} 4.60142 0.04269 0.05072 ++ {0.0} {} {} 54.12754 0.01390 0.01723 ++ {0.0} {} -7.77674293518 -1.1087 0 {} 0 0 0 7 {} 4.60606 0.03336 0.06014 ++ {0.0} {} {} 53.94454 0.18373 0.27035 ++ {0.0} {} 82.6476974487 5.5973 0 {} 0 0 0 8 {} 4.59655 0.01333 0.00455 ++ {0.0} {} {} 56.12369 0.03961 0.01356 ++ {0.0} {} -0.50849878788 -0.5085 0 {} 0 0 0 9 {} 4.59537 0.03012 0.01217 ++ {0.0} {} {} 55.92222 0.09761 0.06792 ++ {0.0} {} -2.57371687889 -0.6463 0 {} 0 0 0 10 {} 4.58618 0.02435 0.00444 ++ {0.0} {} {} 54.78117 0.03770 0.00542 ++ {0.0} {} -0.903420627117 -0.4541 0 {} 0 0 0 11 {} 4.58261 0.04792 0.10302 ++ {0.0} {} {} 54.50369 0.27492 0.45614 ++ {0.0} {} 396.090484619 10.0856 0 {} 0 0 0 12 {} 4.57923 0.02847 0.00025 ++ {0.0} {} {} 62.58593 0.18363 0.00124 ++ {0.0} {} 0.422926694155 0.4229 0 {} 0 0 0 13 {} 4.57791 0.03533 0.08125 ++ {0.0} {} {} 56.34031 0.17988 0.38422 ++ {0.0} {} 148.387527466 7.3947 0 {} 0 0 0 14 {} 4.54024 0.04734 0.06763 ++ {0.0} {} {} 56.01237 0.16415 0.03272 ++ {0.0} {} -4.36730861664 -0.4688 0 {} 0 0 0 15 {} 4.54254 0.02744 0.01723 ++ {0.0} {} {} 54.28323 0.16725 0.05996 ++ {0.0} {} -2.53477144241 -0.4956 0 {} 0 0 0 16 {} 4.52857 0.03902 0.05813 ++ {0.0} {} {} 55.43386 0.14155 0.22022 ++ {0.0} {} 24.6349754333 1.6748 0 {} 0 0 0 17 {} 4.51805 0.03348 0.12138 ++ {0.0} {} {} 58.04524 0.15481 0.27510 ++ {0.0} {} 80.8430557251 4.3106 0 {} 0 0 0 18 {} 4.48633 0.03405 0.06968 ++ {0.0} {} {} 58.52723 0.16373 0.28328 ++ {0.0} {} 79.3563079834 5.7828 0 {} 0 0 0 19 {} 4.45774 0.03791 0.03091 ++ {0.0} {} {} 53.73056 0.14810 0.11293 ++ {0.0} {} 7.32684659958 0.6811 0 {} 0 0 0 20 {} 4.45079 0.05114 0.07251 ++ {0.0} {} {} 57.26972 0.14982 0.23026 ++ {0.0} {} 32.3853683472 1.4601 0 {} 0 0 0 21 {} 4.44411 0.04918 0.06116 ++ {0.0} {} {} 57.97902 0.19521 0.23404 ++ {0.0} {} 24.1059856415 1.1900 0 {} 0 0 0 22 {} 4.42842 0.02845 0.02686 ++ {0.0} {} {} 55.99070 0.17582 0.16326 ++ {0.0} {} -7.81830596924 -0.7683 0 {} 0 0 0 23 {} 4.42079 0.03749 0.02476 ++ {0.0} {} {} 55.64231 0.17648 0.05865 ++ {0.0} {} -4.50145864487 -0.5040 0 {} 0 0 0 24 {} 4.41281 0.02764 0.01361 ++ {0.0} {} {} 63.60638 0.03226 0.00991 ++ {0.0} {} -1.34858262539 -0.4979 0 {} 0 0 0 25 {} 4.41470 0.03520 0.08369 ++ {0.0} {} {} 63.38491 0.15790 0.22558 ++ {0.0} {} 123.200881958 6.3311 0 {} 0 0 0 26 {} 4.40615 0.03256 0.06836 ++ {0.0} {} {} 63.18806 0.07202 0.30784 ++ {0.0} {} 111.885612488 7.2287 0 {} 0 0 0 27 {} 4.37622 0.04476 0.06451 ++ {0.0} {} {} 60.86945 0.18082 0.24761 ++ {0.0} {} 28.9457530975 1.5020 0 {} 0 0 0 28 {} 4.37515 0.03226 0.06320 ++ {0.0} {} {} 56.01257 0.12357 0.24852 ++ {0.0} {} 136.987289429 10.3340 0 {} 0 0 0 29 {} 4.37592 0.04469 0.00648 ++ {0.0} {} {} 55.43975 0.06615 0.00605 ++ {0.0} {} -0.872879087925 -0.4417 0 {} 0 0 0 30 {} 4.37125 0.02942 0.04817 ++ {0.0} {} {} 55.85801 0.02043 0.03119 ++ {0.0} {} -8.42625999451 -1.7802 0 {} 0 0 0 31 {} 4.36447 0.03494 0.07433 ++ {0.0} {} {} 55.70781 0.10703 0.23302 ++ {0.0} {} 124.529678345 9.3357 0 {} 0 0 0 32 {} 4.34392 0.06587 0.06865 ++ {0.0} {} {} 58.18351 0.19937 0.20545 ++ {0.0} {} 20.3069801331 0.8832 0 {} 0 0 0 33 {} 4.32979 0.05666 0.08094 ++ {0.0} {} {} 56.34084 0.19013 0.31916 ++ {0.0} {} 62.7399787903 2.6224 0 {} 0 0 0 34 {} 4.32164 0.03554 0.02734 ++ {0.0} {} {} 62.15816 0.06187 0.04155 ++ {0.0} {} -2.63918614388 -0.6345 0 {} 0 0 0 35 {} 4.32037 0.03063 0.05801 ++ {0.0} {} {} 61.97168 0.10601 0.25006 ++ {0.0} {} 45.8029556274 4.0438 0 {} 0 0 0 36 {} 4.27293 0.04110 0.12775 ++ {0.0} {} {} 55.98059 0.18625 0.33920 ++ {0.0} {} 173.669418335 6.5517 0 {} 0 0 0 37 {} 4.27340 0.05143 0.04408 ++ {0.0} {} {} 45.01299 0.12907 0.10457 ++ {0.0} {} -8.85399627686 -0.7084 0 {} 0 0 0 38 {} 4.26468 0.04502 0.10000 ++ {0.0} {} {} 55.56189 0.12464 0.25975 ++ {0.0} {} 121.512168884 5.9990 0 {} 0 0 0 39 {} 4.24991 0.03676 0.08128 ++ {0.0} {} {} 57.08220 0.17247 0.31974 ++ {0.0} {} 122.554229736 5.6289 0 {} 0 0 0 40 {} 4.24889 0.04023 0.11685 ++ {0.0} {} {} 56.53025 0.19582 0.38809 ++ {0.0} {} 212.564025879 7.1344 0 {} 0 0 0 41 {} 4.24067 0.04713 0.07108 ++ {0.0} {} {} 60.90592 0.15600 0.21286 ++ {0.0} {} 31.01304245 1.5928 0 {} 0 0 0 42 {} 4.23259 0.03077 0.00786 ++ {0.0} {} {} 69.89449 0.03538 0.00693 ++ {0.0} {} 0.912344157696 0.4672 0 {} 0 0 0 43 {} 4.23026 0.03284 0.05733 ++ {0.0} {} {} 69.70439 0.09619 0.22764 ++ {0.0} {} -59.2591094971 -4.3459 0 {} 0 0 0 44 {} 4.22934 0.04660 0.06636 ++ {0.0} {} {} 60.17105 0.19100 0.24847 ++ {0.0} {} 29.3980236053 1.5181 0 {} 0 0 0 45 {} 4.22476 0.04512 0.06485 ++ {0.0} {} {} 57.90898 0.19684 0.25853 ++ {0.0} {} 29.7607975006 1.5296 0 {} 0 0 0 46 {} 4.20155 0.04014 0.05795 ++ {0.0} {} {} 54.89606 0.15604 0.20681 ++ {0.0} {} 22.5349845886 1.4980 0 {} 0 0 0 47 {} 4.17369 0.04062 0.05855 ++ {0.0} {} {} 64.74409 0.19029 0.24584 ++ {0.0} {} 24.5726070404 1.5045 0 {} 0 0 0 48 {} 4.17016 0.01583 0.01298 ++ {0.0} {} {} 62.57654 0.03126 0.02594 ++ {0.0} {} -1.79164302349 -0.7203 0 {} 0 0 0 49 {} 4.16424 0.05143 0.09226 ++ {0.0} {} {} 58.68572 0.17804 0.29591 ++ {0.0} {} 77.8188934326 3.1763 0 {} 0 0 0 50 {} 4.15949 0.02890 0.05273 ++ {0.0} {} {} 62.36014 0.16008 0.31969 ++ {0.0} {} 132.80557251 12.1637 0 {} 0 0 0 51 {} 4.13373 0.04334 0.06373 ++ {0.0} {} {} 59.44170 0.17877 0.26941 ++ {0.0} {} 35.1519203186 1.6830 0 {} 0 0 0 52 {} 4.13497 0.04083 0.11272 ++ {0.0} {} {} 58.14406 0.16232 0.30627 ++ {0.0} {} 97.5053253174 3.5449 0 {} 0 0 0 53 {} 4.12323 0.01511 0.01663 ++ {0.0} {} {} 62.34317 0.14288 0.18665 ++ {0.0} {} -9.87956047058 -1.2870 0 {} 0 0 0 54 {} 4.11971 0.03755 0.04183 ++ {0.0} {} {} 61.66393 0.14414 0.16111 ++ {0.0} {} 11.3818302155 0.9921 0 {} 0 0 0 55 {} 4.10746 0.06223 0.03179 ++ {0.0} {} {} 47.12546 0.18556 0.04908 ++ {0.0} {} -4.90905094147 -0.4801 0 {} 0 0 0 56 {} 4.08015 0.03845 0.06506 ++ {0.0} {} {} 56.88646 0.17880 0.25157 ++ {0.0} {} 33.9514122009 2.0105 0 {} 0 0 0 57 {} 4.07036 0.03682 0.05260 ++ {0.0} {} {} 45.16971 0.10334 0.28233 ++ {0.0} {} -148.892730713 -9.0579 0 {} 0 0 0 58 {} 4.05424 0.04516 0.07642 ++ {0.0} {} {} 58.03416 0.15914 0.26544 ++ {0.0} {} 52.8642616272 2.9271 0 {} 0 0 0 59 {} 4.04439 0.02630 0.03757 ++ {0.0} {} {} 45.16553 0.09914 0.25910 ++ {0.0} {} -106.803794861 -7.5260 0 {} 0 0 0 60 {} 4.02959 0.08038 0.15781 ++ {0.0} {} {} 59.05798 0.18377 0.37324 ++ {0.0} {} 199.720718384 3.6843 0 {} 0 0 0 61 {} 4.02367 0.04830 0.06522 ++ {0.0} {} {} 59.80752 0.16168 0.21488 ++ {0.0} {} 25.6922054291 1.3292 0 {} 0 0 0 62 {} 3.98731 0.03764 0.06105 ++ {0.0} {} {} 62.60934 0.11267 0.21719 ++ {0.0} {} 33.9688415527 2.5389 0 {} 0 0 0 63 {} 3.98361 0.08883 0.04836 ++ {0.0} {} {} 45.34957 0.04749 0.08463 ++ {0.0} {} -8.47740650177 -0.7083 0 {} 0 0 0 64 {} 3.95348 0.09549 0.12666 ++ {0.0} {} {} 45.56730 0.12623 0.23384 ++ {0.0} {} -52.8480796814 -1.3974 0 {} 0 0 0 65 {} 3.94079 0.05217 0.03095 ++ {0.0} {} {} 45.02805 0.15080 0.05233 ++ {0.0} {} -4.81276607513 -0.5100 0 {} 0 0 0 66 {} 3.93112 0.05024 0.07734 ++ {0.0} {} {} 59.12447 0.13745 0.24385 ++ {0.0} {} 40.5338554382 2.0484 0 {} 0 0 0 67 {} 3.91188 0.04411 0.06301 ++ {0.0} {} {} 63.77507 0.11170 0.24382 ++ {0.0} {} 60.9283638 3.9061 0 {} 0 0 0 68 {} 3.88356 0.04407 0.05501 ++ {0.0} {} {} 60.18617 0.15187 0.19217 ++ {0.0} {} 19.5748271942 1.1539 0 {} 0 0 0 69 {} 3.86247 0.04734 0.06763 ++ {0.0} {} {} 63.77540 0.11724 0.26134 ++ {0.0} {} 69.4740982056 4.1735 0 {} 0 0 0 70 {} 3.86745 0.02286 0.01516 ++ {0.0} {} {} 43.76982 0.14801 0.03718 ++ {0.0} {} 1.36689889431 0.4803 0 {} 0 0 0 71 {} 3.84523 0.04701 0.06116 ++ {0.0} {} {} 60.97741 0.18239 0.22883 ++ {0.0} {} 21.5486984253 1.2480 0 {} 0 0 0 72 {} 3.82749 0.04197 0.04917 ++ {0.0} {} {} 58.97248 0.16111 0.19387 ++ {0.0} {} 18.9062137604 1.0467 0 {} 0 0 0 73 {} 3.82655 0.02241 0.05606 ++ {0.0} {} {} 43.85568 0.11138 0.30020 ++ {0.0} {} -223.619842529 -24.7665 0 {} 0 0 0 74 {} 3.79390 0.04574 0.10806 ++ {0.0} {} {} 50.67363 0.14588 0.26825 ++ {0.0} {} 116.671440125 5.5489 0 {} 0 0 0 75 {} 3.77899 0.06487 0.03867 ++ {0.0} {} {} 47.12780 0.18422 0.07356 ++ {0.0} {} -6.26349639893 -0.5196 0 {} 0 0 0 76 {} 3.73971 0.05739 0.08198 ++ {0.0} {} {} 50.59386 0.15072 0.26790 ++ {0.0} {} 112.977119446 4.4364 0 {} 0 0 0 77 {} 3.68935 0.04779 0.12775 ++ {0.0} {} {} 50.67585 0.13129 0.26161 ++ {0.0} {} 160.699050903 6.0142 0 {} 0 0 0 78 {} 3.61126 0.04093 0.08613 ++ {0.0} {} {} 50.58723 0.12166 0.25781 ++ {0.0} {} 68.6279907227 4.4352 0 {} 0 0 0 79 {} 3.57813 0.02209 0.00025 ++ {0.0} {} {} 50.14630 0.14963 0.00033 ++ {0.0} {} 0.421906709671 0.4219 0 {} 0 0 0 80 {} 3.50480 0.04112 0.01859 ++ {0.0} {} {} 50.13944 0.15403 0.02053 ++ {0.0} {} 1.73392045498 0.4516 0 {} 0 0 0 81 {} 3.34935 0.05627 0.04916 ++ {0.0} {} {} 38.66086 0.13978 0.11902 ++ {0.0} {} 11.5809421539 0.7339 0 {} 0 0 0 82 {} 3.30042 0.05016 0.05097 ++ {0.0} {} {} 43.35629 0.19312 0.19732 ++ {0.0} {} -14.1070451736 -0.8823 0 {} 0 0 0 83 {} 3.28194 0.04734 0.06763 ++ {0.0} {} {} 43.70298 0.16080 0.28643 ++ {0.0} {} 61.1058807373 2.4779 0 {} 0 0 0 84 {} 3.26118 0.05824 0.06135 ++ {0.0} {} {} 43.27031 0.04659 0.05261 ++ {0.0} {} -10.4126491547 -0.9679 0 {} 0 0 0 85 {} 3.22142 0.10249 0.05720 ++ {0.0} {} {} 43.08537 0.24225 0.19773 ++ {0.0} {} -15.1677761078 -0.5979 0 {} 0 0 0 86 {} 3.20904 0.08860 0.16051 ++ {0.0} {} {} 43.42968 0.14935 0.39304 ++ {0.0} {} 822.390625 25.8964 0 {} 0 0 0 87 {} 3.18425 0.06736 0.09623 ++ {0.0} {} {} 43.99416 0.25820 0.35025 ++ {0.0} {} 51.8513031006 1.0936 0 {} 0 0 0 88 {} 3.17367 0.04233 0.03529 ++ {0.0} {} {} 43.18877 0.01886 0.01461 ++ {0.0} {} -6.36681747437 -0.6878 0 {} 0 0 0 89 {} 3.14724 0.05870 0.05891 ++ {0.0} {} {} 31.17897 0.27011 0.27120 ++ {0.0} {} 23.2867774963 0.8469 0 {} 0 0 0 90 {} 3.11547 0.02937 0.07001 ++ {0.0} {} {} 43.98717 0.19404 0.21203 ++ {0.0} {} 24.6356945038 0.9511 0 {} 0 0 0 91 {} 3.10319 0.03396 0.06900 ++ {0.0} {} {} 30.75245 0.19017 0.65076 ++ {0.0} {} 96.5937271118 3.7756 0 {} 0 0 0 92 {} 3.03054 0.07026 0.11272 ++ {0.0} {} {} 31.04029 0.30757 0.37735 ++ {0.0} {} 72.0979766846 1.1656 0 {} 0 0 0 93 {} 2.99011 0.07421 0.06391 ++ {0.0} {} {} 38.84644 0.22858 0.19552 ++ {0.0} {} 17.2201843262 0.6984 0 {} 0 0 0 94 {} 2.98724 0.02461 0.03255 ++ {0.0} {} {} 41.96359 0.01842 0.02753 ++ {0.0} {} -10.086810112 -1.6681 0 {} 0 0 0 95 {} 2.98303 0.05729 0.04967 ++ {0.0} {} {} 41.73170 0.26317 0.37596 ++ {0.0} {} -21.2369689941 -0.7643 0 {} 0 0 0 96 {} 2.97661 0.05745 0.02985 ++ {0.0} {} {} 42.73806 0.26268 0.15258 ++ {0.0} {} 6.45867109299 0.5303 0 {} 0 0 0 97 {} 2.97491 0.05017 0.03209 ++ {0.0} {} {} 41.50294 0.14935 0.23130 ++ {0.0} {} -13.3364973068 -0.6063 0 {} 0 0 0 98 {} 2.97158 0.04039 0.15461 ++ {0.0} {} {} 42.15274 0.10620 0.28605 ++ {0.0} {} 691.005615234 32.6566 0 {} 0 0 0 99 {} 2.93432 0.22324 0.05667 ++ {0.0} {} {} 43.48232 0.19302 0.05965 ++ {0.0} {} 7.05332612991 0.4947 0 {} 0 0 0 100 {} 2.93164 0.04661 0.08460 ++ {0.0} {} {} 42.05829 0.14762 0.29087 ++ {0.0} {} 377.278839111 12.0505 0 {} 0 0 0 101 {} 2.90174 0.06283 0.11098 ++ {0.0} {} {} 43.13196 0.11920 0.23708 ++ {0.0} {} 73.6296386719 3.2645 0 {} 0 0 0 102 {} 2.74114 0.03888 0.06892 ++ {0.0} {} {} 38.77040 0.16939 0.24996 ++ {0.0} {} 44.552570343 2.5664 0 {} 0 0 0 103 {} 2.71858 0.00944 0.00234 ++ {0.0} {} {} 41.71738 0.06107 0.01513 ++ {0.0} {} 0.481014788151 0.4810 0 {} 0 0 0 104 {} 2.71675 0.01011 0.00688 ++ {0.0} {} {} 41.48742 0.04749 0.03231 ++ {0.0} {} 1.52949631214 0.6387 0 {} 0 0 0 105 {} 2.71880 0.01100 0.00871 ++ {0.0} {} {} 41.37967 0.02997 0.02372 ++ {0.0} {} -1.32540464401 -0.6974 0 {} 0 0 0 106 {} 2.71158 0.02500 0.01075 ++ {0.0} {} {} 42.11256 0.03898 0.02249 ++ {0.0} {} -1.35396158695 -0.5923 0 {} 0 0 0 107 {} 2.70728 0.05067 0.05568 ++ {0.0} {} {} 33.33698 0.11258 0.12517 ++ {0.0} {} 15.0686540604 0.9490 0 {} 0 0 0 108 {} 2.68402 0.04666 0.08235 ++ {0.0} {} {} 42.30299 0.11208 0.25719 ++ {0.0} {} 90.3246307373 4.8599 0 {} 0 0 0 109 {} 2.67992 0.11047 0.15781 ++ {0.0} {} {} 41.18012 0.14736 0.28935 ++ {0.0} {} 327.472259521 8.8938 0 {} 0 0 0 110 {} 2.67199 0.01876 0.02145 ++ {0.0} {} {} 42.10878 0.03268 0.03623 ++ {0.0} {} -2.78842163086 -0.9459 0 {} 0 0 0 111 {} 2.66886 0.01214 0.00896 ++ {0.0} {} {} 41.99211 0.04876 0.03598 ++ {0.0} {} 1.14876568317 0.6679 0 {} 0 0 0 112 {} 2.66800 0.01321 0.00279 ++ {0.0} {} {} 41.63912 0.04434 0.00935 ++ {0.0} {} -0.881496369839 -0.4711 0 {} 0 0 0 113 {} 2.66513 0.01042 0.00553 ++ {0.0} {} {} 41.85263 0.05455 0.02894 ++ {0.0} {} -1.02074277401 -0.5736 0 {} 0 0 0 114 {} 2.66326 0.01223 0.01089 ++ {0.0} {} {} 41.72560 0.04883 0.04350 ++ {0.0} {} 1.43026673794 0.7599 0 {} 0 0 0 115 {} 2.66493 0.01113 0.01409 ++ {0.0} {} {} 41.50053 0.05739 0.07270 ++ {0.0} {} 3.48866510391 1.1496 0 {} 0 0 0 116 {} 2.66226 0.01925 0.02066 ++ {0.0} {} {} 41.38842 0.02115 0.02311 ++ {0.0} {} -2.42700386047 -0.9292 0 {} 0 0 0 117 {} 2.64715 0.04497 0.07811 ++ {0.0} {} {} 38.76829 0.17084 0.25316 ++ {0.0} {} 49.3248786926 2.6235 0 {} 0 0 0 118 {} 2.59080 0.05787 0.08266 ++ {0.0} {} {} 41.15978 0.13989 0.28043 ++ {0.0} {} 140.484207153 6.0272 0 {} 0 0 0 119 {} 2.57482 0.02335 0.01220 ++ {0.0} {} {} 41.45338 0.06162 0.03529 ++ {0.0} {} 1.38978838921 0.5905 0 {} 0 0 0 120 {} 2.57465 0.04734 0.06763 ++ {0.0} {} {} 34.60583 0.19349 0.29104 ++ {0.0} {} 65.0346984863 2.5963 0 {} 0 0 0 121 {} 2.57312 0.04157 0.02394 ++ {0.0} {} {} 33.65995 0.13648 0.03203 ++ {0.0} {} -2.21347808838 -0.4775 0 {} 0 0 0 122 {} 2.55983 0.03002 0.02327 ++ {0.0} {} {} 42.11005 0.03152 0.02235 ++ {0.0} {} -2.54139208794 -0.6530 0 {} 0 0 0 123 {} 2.54239 0.05293 0.09584 ++ {0.0} {} {} 42.30279 0.10177 0.25250 ++ {0.0} {} 96.7204666138 5.1991 0 {} 0 0 0 124 {} 2.52987 0.04734 0.06763 ++ {0.0} {} {} 34.60361 0.19834 0.30923 ++ {0.0} {} 64.3212356567 2.7589 0 {} 0 0 0 125 {} 2.52979 0.05130 0.12775 ++ {0.0} {} {} 33.86287 0.20444 0.34280 ++ {0.0} {} 227.794845581 4.2969 0 {} 0 0 0 126 {} 2.51347 0.04940 0.07115 ++ {0.0} {} {} 36.11721 0.16368 0.22444 ++ {0.0} {} 29.0140380859 1.6512 0 {} 0 0 0 127 {} 2.49144 0.04279 0.01548 ++ {0.0} {} {} 33.63143 0.14565 0.00354 ++ {0.0} {} -1.26597392559 -0.4266 0 {} 0 0 0 128 {} 2.44419 0.04734 0.06763 ++ {0.0} {} {} 33.98024 0.28574 0.61604 ++ {0.0} {} 210.291900635 5.0922 0 {} 0 0 0 129 {} 2.44413 0.11752 0.05733 ++ {0.0} {} {} 33.56013 0.10557 0.04144 ++ {0.0} {} -7.84440517426 -0.5244 0 {} 0 0 0 130 {} 2.41811 0.07080 0.11710 ++ {0.0} {} {} 36.68382 0.11453 0.25404 ++ {0.0} {} 101.838058472 3.2092 0 {} 0 0 0 131 {} 2.42067 0.06013 0.01912 ++ {0.0} {} {} 36.32395 0.05209 0.01106 ++ {0.0} {} -1.8059886694 -0.4715 0 {} 0 0 0 132 {} 2.42017 0.05502 0.07362 ++ {0.0} {} {} 36.12453 0.15949 0.21714 ++ {0.0} {} 28.1905879974 1.4511 0 {} 0 0 0 133 {} 2.38871 0.05787 0.08266 ++ {0.0} {} {} 33.96922 0.20066 0.66803 ++ {0.0} {} 359.895294189 6.2559 0 {} 0 0 0 134 {} 2.39163 0.04764 0.04020 ++ {0.0} {} {} 33.52248 0.07635 0.13511 ++ {0.0} {} -8.08509635925 -0.5067 0 {} 0 0 0 135 {} 2.35771 0.05787 0.08266 ++ {0.0} {} {} 33.77990 0.09787 0.33475 ++ {0.0} {} 192.176101685 4.9888 0 {} 0 0 0 136 {} 2.35005 0.05501 0.07478 ++ {0.0} {} {} 27.75853 0.12653 0.17701 ++ {0.0} {} -21.4864730835 -1.2687 0 {} 0 0 0 137 {} 2.30034 0.04677 0.03971 ++ {0.0} {} {} 34.41166 0.13666 0.11155 ++ {0.0} {} 8.67877197266 0.7121 0 {} 0 0 0 138 {} 2.29665 0.02609 0.04909 ++ {0.0} {} {} 34.13279 0.10742 0.08749 ++ {0.0} {} 10.546423912 0.7110 0 {} 0 0 0 139 {} 2.29381 0.06839 0.09769 ++ {0.0} {} {} 33.78578 0.19334 0.32358 ++ {0.0} {} 176.838043213 6.9948 0 {} 0 0 0 140 {} 2.29725 0.04683 0.07832 ++ {0.0} {} {} 33.56880 0.04968 0.07116 ++ {0.0} {} -14.7514219284 -1.4845 0 {} 0 0 0 141 {} 2.29076 0.02668 0.02301 ++ {0.0} {} {} 33.44109 0.04704 0.04005 ++ {0.0} {} 2.60334396362 0.7339 0 {} 0 0 0 142 {} 2.28794 0.03501 0.03708 ++ {0.0} {} {} 33.31395 0.06826 0.07237 ++ {0.0} {} -6.53926134109 -0.8969 0 {} 0 0 0 143 {} 2.28754 0.05416 0.01754 ++ {0.0} {} {} 32.36014 0.03698 0.00419 ++ {0.0} {} 1.31106078625 0.4468 0 {} 0 0 0 144 {} 2.28480 0.06215 0.10010 ++ {0.0} {} {} 32.14598 0.19147 0.30741 ++ {0.0} {} -96.0637664795 -3.1153 0 {} 0 0 0 145 {} 2.28470 0.05456 0.04827 ++ {0.0} {} {} 28.17953 0.21458 0.19256 ++ {0.0} {} -12.6192541122 -0.7256 0 {} 0 0 0 146 {} 2.27867 0.03987 0.02873 ++ {0.0} {} {} 33.04520 0.08244 0.05395 ++ {0.0} {} -4.13343763351 -0.6264 0 {} 0 0 0 147 {} 2.27822 0.06146 0.02791 ++ {0.0} {} {} 31.83396 0.03800 0.02838 ++ {0.0} {} -4.59187698364 -0.5076 0 {} 0 0 0 148 {} 2.27270 0.07441 0.04426 ++ {0.0} {} {} 37.01234 0.13080 0.20258 ++ {0.0} {} 11.3964729309 0.6140 0 {} 0 0 0 149 {} 2.27401 0.05919 0.17885 ++ {0.0} {} {} 36.34156 0.12853 0.37596 ++ {0.0} {} 615.585571289 18.3745 0 {} 0 0 0 150 {} 2.27118 0.05134 0.06545 ++ {0.0} {} {} 35.75695 0.09235 0.11274 ++ {0.0} {} -12.9301948547 -1.0817 0 {} 0 0 0 151 {} 2.27413 0.04095 0.02360 ++ {0.0} {} {} 32.76207 0.10864 0.04943 ++ {0.0} {} -2.39768505096 -0.5456 0 {} 0 0 0 152 {} 2.27209 0.05943 0.04221 ++ {0.0} {} {} 32.49102 0.09528 0.05012 ++ {0.0} {} -3.68039488792 -0.5719 0 {} 0 0 0 153 {} 2.27177 0.02944 0.02418 ++ {0.0} {} {} 30.06826 0.24103 0.19110 ++ {0.0} {} -7.71958446503 -0.6958 0 {} 0 0 0 154 {} 2.26401 0.04137 0.10665 ++ {0.0} {} {} 36.01654 0.14307 0.28620 ++ {0.0} {} 203.354354858 9.2862 0 {} 0 0 0 155 {} 2.26607 0.05439 0.03736 ++ {0.0} {} {} 35.49877 0.21371 0.14438 ++ {0.0} {} -8.98325538635 -0.6186 0 {} 0 0 0 156 {} 2.26481 0.05789 0.07930 ++ {0.0} {} {} 27.77052 0.17977 0.21456 ++ {0.0} {} -29.4764003754 -1.1872 0 {} 0 0 0 157 {} 2.25435 0.02786 0.00744 ++ {0.0} {} {} 36.16880 0.00612 0.00130 ++ {0.0} {} -0.885456502438 -0.4716 0 {} 0 0 0 158 {} 2.25151 0.06404 0.06215 ++ {0.0} {} {} 29.43092 0.14305 0.13781 ++ {0.0} {} -14.9642791748 -0.8131 0 {} 0 0 0 159 {} 2.21042 0.06297 0.08995 ++ {0.0} {} {} 28.31013 0.21825 0.24023 ++ {0.0} {} -44.605014801 -0.9988 0 {} 0 0 0 160 {} 2.21409 0.04873 0.07121 ++ {0.0} {} {} 27.90780 0.17512 0.23340 ++ {0.0} {} -32.6711845398 -1.6328 0 {} 0 0 0 161 {} 2.17228 0.05990 0.02574 ++ {0.0} {} {} 29.66286 0.08746 0.06040 ++ {0.0} {} -4.31806468964 -0.4873 0 {} 0 0 0 162 {} 2.12231 0.06515 0.05871 ++ {0.0} {} {} 28.85123 0.19703 0.18111 ++ {0.0} {} -13.9188108444 -0.7590 0 {} 0 0 0 163 {} 2.11503 0.05185 0.03396 ++ {0.0} {} {} 32.90763 0.03858 0.01867 ++ {0.0} {} -3.03327012062 -0.5559 0 {} 0 0 0 164 {} 2.11519 0.03895 0.08047 ++ {0.0} {} {} 32.71038 0.09594 0.21614 ++ {0.0} {} 106.591880798 7.9653 0 {} 0 0 0 165 {} 2.11673 0.05064 0.06223 ++ {0.0} {} {} 32.53608 0.03167 0.04204 ++ {0.0} {} -13.1914682388 -1.2534 0 {} 0 0 0 166 {} 2.11884 0.01692 0.01528 ++ {0.0} {} {} 17.55151 0.00686 0.00579 ++ {0.0} {} 3.07162475586 0.7290 0 {} 0 0 0 167 {} 2.10793 0.04576 0.09726 ++ {0.0} {} {} 28.36757 0.15048 0.27842 ++ {0.0} {} -99.7911376953 -4.0780 0 {} 0 0 0 168 {} 2.11045 0.02230 0.04210 ++ {0.0} {} {} 17.72578 0.13538 0.28802 ++ {0.0} {} -153.028869629 -21.6236 0 {} 0 0 0 169 {} 2.09039 0.02323 0.01862 ++ {0.0} {} {} 17.03619 0.19357 0.16372 ++ {0.0} {} -4.6538028717 -0.6840 0 {} 0 0 0 170 {} 2.08208 0.04622 0.05153 ++ {0.0} {} {} 27.74836 0.12197 0.13773 ++ {0.0} {} -13.99173069 -0.9680 0 {} 0 0 0 171 {} 2.08213 0.01346 0.01595 ++ {0.0} {} {} 17.70826 0.11808 0.19474 ++ {0.0} {} 7.71362400055 1.8084 0 {} 0 0 0 172 {} 2.07244 0.08275 0.17284 ++ {0.0} {} {} 29.33838 0.19478 0.27587 ++ {0.0} {} -101.774909973 -2.2353 0 {} 0 0 0 173 {} 2.05964 0.03412 0.04985 ++ {0.0} {} {} 36.37933 0.21213 0.13012 ++ {0.0} {} 9.77878761292 0.5554 0 {} 0 0 0 174 {} 2.06449 0.03837 0.02163 ++ {0.0} {} {} 29.80085 0.04565 0.02196 ++ {0.0} {} 1.98094034195 0.5549 0 {} 0 0 0 175 {} 2.05363 0.05942 0.13652 ++ {0.0} {} {} 30.16996 0.26008 0.52635 ++ {0.0} {} -296.261138916 -5.0158 0 {} 0 0 0 176 {} 2.04555 0.07440 0.11272 ++ {0.0} {} {} 30.51464 0.20038 0.34883 ++ {0.0} {} -90.4536590576 -2.1594 0 {} 0 0 0 177 {} 2.04484 0.02469 0.03819 ++ {0.0} {} {} 28.86241 0.20978 0.16195 ++ {0.0} {} -8.62773704529 -0.6114 0 {} 0 0 0 178 {} 2.02356 0.07193 0.14764 ++ {0.0} {} {} 29.96181 0.15482 0.27851 ++ {0.0} {} -180.860061646 -4.6157 0 {} 0 0 0 179 {} 2.01984 0.11335 0.00866 ++ {0.0} {} {} 27.20294 0.02494 0.00511 ++ {0.0} {} 0.867917597294 0.4420 0 {} 0 0 0 180 {} 2.01447 0.06250 0.06549 ++ {0.0} {} {} 28.10691 0.20072 0.20972 ++ {0.0} {} -19.9289264679 -0.9017 0 {} 0 0 0 181 {} 2.00460 0.03183 0.07636 ++ {0.0} {} {} 27.72963 0.13727 0.15681 ++ {0.0} {} -22.5718345642 -0.9852 0 {} 0 0 0 182 {} 1.98316 0.04480 0.08427 ++ {0.0} {} {} 36.70438 0.12698 0.25263 ++ {0.0} {} 50.7193717957 2.5528 0 {} 0 0 0 183 {} 1.98203 0.05453 0.10206 ++ {0.0} {} {} 27.36413 0.15146 0.28258 ++ {0.0} {} -167.325866699 -7.2881 0 {} 0 0 0 184 {} 1.98202 0.07410 0.00486 ++ {0.0} {} {} 27.13815 0.07994 0.00380 ++ {0.0} {} 0.85421025753 0.4317 0 {} 0 0 0 185 {} 1.96644 0.06814 0.09769 ++ {0.0} {} {} 30.51024 0.19698 0.26719 ++ {0.0} {} -61.985534668 -1.9010 0 {} 0 0 0 186 {} 1.96658 0.06463 0.04026 ++ {0.0} {} {} 29.67773 0.10149 0.04166 ++ {0.0} {} -3.40935921669 -0.5303 0 {} 0 0 0 187 {} 1.95186 0.04313 0.00534 ++ {0.0} {} {} 36.36859 0.15415 0.01269 ++ {0.0} {} 0.850410580635 0.4395 0 {} 0 0 0 188 {} 1.95045 0.05702 0.11638 ++ {0.0} {} {} 30.13981 0.15895 0.28760 ++ {0.0} {} -162.216842651 -4.4001 0 {} 0 0 0 189 {} 1.95144 0.05954 0.10062 ++ {0.0} {} {} 29.34816 0.17854 0.25082 ++ {0.0} {} -50.9877967834 -2.3163 0 {} 0 0 0 190 {} 1.95092 0.11908 0.07574 ++ {0.0} {} {} 29.11891 0.07109 0.04648 ++ {0.0} {} 10.8095493317 0.6261 0 {} 0 0 0 191 {} 1.91038 0.04347 0.00617 ++ {0.0} {} {} 32.35348 0.04617 0.00291 ++ {0.0} {} 0.856798291206 0.4352 0 {} 0 0 0 192 {} 1.91346 0.05201 0.08616 ++ {0.0} {} {} 32.15364 0.17376 0.25576 ++ {0.0} {} -48.2906112671 -2.3737 0 {} 0 0 0 193 {} 1.91464 0.05757 0.04572 ++ {0.0} {} {} 31.85392 0.11092 0.08089 ++ {0.0} {} -7.7189540863 -0.6633 0 {} 0 0 0 194 {} 1.90700 0.03810 0.00211 ++ {0.0} {} {} 29.77647 0.05123 0.00308 ++ {0.0} {} 0.434504181147 0.4345 0 {} 0 0 0 195 {} 1.89790 0.02772 0.11175 ++ {0.0} {} {} 29.98141 0.13958 0.25002 ++ {0.0} {} -155.134521484 -4.3439 0 {} 0 0 0 196 {} 1.88951 0.06710 0.11530 ++ {0.0} {} {} 32.73611 0.19027 0.28994 ++ {0.0} {} -81.8258209229 -2.3750 0 {} 0 0 0 197 {} 1.87642 0.05787 0.08266 ++ {0.0} {} {} 29.16117 0.19299 0.08304 ++ {0.0} {} 12.1427507401 0.5363 0 {} 0 0 0 198 {} 1.86230 0.05195 0.07242 ++ {0.0} {} {} 30.92677 0.17921 0.26546 ++ {0.0} {} -47.274105072 -2.1079 0 {} 0 0 0 199 {} 1.85768 0.05250 0.08803 ++ {0.0} {} {} 36.70043 0.15262 0.25677 ++ {0.0} {} 47.7311897278 2.1063 0 {} 0 0 0 200 {} 1.84304 0.04926 0.08819 ++ {0.0} {} {} 31.35642 0.09765 0.18991 ++ {0.0} {} -71.180305481 -3.3827 0 {} 0 0 0 201 {} 1.83767 0.02174 0.01788 ++ {0.0} {} {} 31.17536 0.03094 0.02509 ++ {0.0} {} 1.75835442543 0.7090 0 {} 0 0 0 202 {} 1.83081 0.04096 0.06366 ++ {0.0} {} {} 30.61413 0.06627 0.03849 ++ {0.0} {} -9.41684436798 -0.5939 0 {} 0 0 0 203 {} 1.82194 0.05083 0.09997 ++ {0.0} {} {} 30.28429 0.16679 0.25725 ++ {0.0} {} -60.0531005859 -2.5921 0 {} 0 0 0 204 {} 1.80706 0.05099 0.07606 ++ {0.0} {} {} 27.63415 0.17394 0.25534 ++ {0.0} {} -40.3603363037 -2.0230 0 {} 0 0 0 205 {} 1.80156 0.03485 0.02861 ++ {0.0} {} {} 27.16962 0.12714 0.02787 ++ {0.0} {} 2.25818157196 0.4733 0 {} 0 0 0 206 {} 1.79480 0.03454 0.07971 ++ {0.0} {} {} 32.69819 0.14555 0.15316 ++ {0.0} {} -19.7917747498 -0.8922 0 {} 0 0 0 207 {} 1.78943 0.05498 0.00644 ++ {0.0} {} {} 32.42493 0.06356 0.00211 ++ {0.0} {} -0.845305800438 -0.4285 0 {} 0 0 0 208 {} 1.79060 0.05671 0.10454 ++ {0.0} {} {} 32.09798 0.13992 0.24428 ++ {0.0} {} -79.5812911987 -3.3332 0 {} 0 0 0 209 {} 1.78534 0.04288 0.00565 ++ {0.0} {} {} 31.88433 0.05657 0.00502 ++ {0.0} {} 0.881345927715 0.4410 0 {} 0 0 0 210 {} 1.77277 0.05421 0.08143 ++ {0.0} {} {} 30.92926 0.16998 0.26305 ++ {0.0} {} -46.1536140442 -2.0684 0 {} 0 0 0 211 {} 1.76666 0.04989 0.09029 ++ {0.0} {} {} 33.25553 0.13899 0.23091 ++ {0.0} {} -50.2473907471 -2.3752 0 {} 0 0 0 212 {} 1.76796 0.09814 0.03244 ++ {0.0} {} {} 32.95338 0.07942 0.03281 ++ {0.0} {} -2.44231534004 -0.5312 0 {} 0 0 0 213 {} 1.76544 0.06570 0.09984 ++ {0.0} {} {} 27.37173 0.13953 0.22863 ++ {0.0} {} -66.5709228516 -2.5440 0 {} 0 0 0 214 {} 1.75530 0.05609 0.05817 ++ {0.0} {} {} 28.09749 0.19933 0.20691 ++ {0.0} {} -17.87774086 -0.8876 0 {} 0 0 0 215 {} 1.74631 0.05727 0.06871 ++ {0.0} {} {} 41.70668 0.13372 0.17023 ++ {0.0} {} -20.9686431885 -1.1098 0 {} 0 0 0 216 {} 1.73772 0.02400 0.06836 ++ {0.0} {} {} 29.94656 0.12787 0.17016 ++ {0.0} {} -20.7918395996 -1.2560 0 {} 0 0 0 217 {} 1.73403 0.02170 0.04625 ++ {0.0} {} {} 29.14829 0.21545 0.19777 ++ {0.0} {} 12.8346652985 0.7545 0 {} 0 0 0 218 {} 1.72687 0.05084 0.09045 ++ {0.0} {} {} 30.27588 0.13705 0.24961 ++ {0.0} {} -57.5027770996 -2.6283 0 {} 0 0 0 219 {} 1.71417 0.05787 0.08266 ++ {0.0} {} {} 27.10542 0.14280 0.23118 ++ {0.0} {} 49.0635452271 2.4661 0 {} 0 0 0 220 {} 1.70284 0.05372 0.09511 ++ {0.0} {} {} 31.36421 0.15173 0.26231 ++ {0.0} {} -73.808303833 -3.0761 0 {} 0 0 0 221 {} 1.69085 0.04960 0.07326 ++ {0.0} {} {} 27.62303 0.18913 0.26012 ++ {0.0} {} -45.9027061462 -1.8925 0 {} 0 0 0 222 {} 1.68333 0.04093 0.06724 ++ {0.0} {} {} 42.35775 0.09648 0.17354 ++ {0.0} {} -44.3342056274 -2.5634 0 {} 0 0 0 223 {} 1.68348 0.04836 0.09122 ++ {0.0} {} {} 33.26396 0.13291 0.23060 ++ {0.0} {} -51.4476699829 -2.3049 0 {} 0 0 0 224 {} 1.68878 0.05295 0.10682 ++ {0.0} {} {} 29.58886 0.15286 0.28134 ++ {0.0} {} -98.4352874756 -4.3928 0 {} 0 0 0 225 {} 1.68503 0.03094 0.02509 ++ {0.0} {} {} 29.40671 0.02585 0.01994 ++ {0.0} {} 2.64534211159 0.6860 0 {} 0 0 0 226 {} 1.68362 0.04283 0.04743 ++ {0.0} {} {} 28.98250 0.05316 0.05779 ++ {0.0} {} 9.25014591217 0.9233 0 {} 0 0 0 227 {} 1.67254 0.05315 0.03653 ++ {0.0} {} {} 28.72046 0.13479 0.07587 ++ {0.0} {} 5.36171245575 0.5865 0 {} 0 0 0 228 {} 1.65073 0.05151 0.11199 ++ {0.0} {} {} 29.15497 0.13154 0.28332 ++ {0.0} {} -342.214294434 -14.0431 0 {} 0 0 0 229 {} 1.64263 0.04576 0.11236 ++ {0.0} {} {} 27.02338 0.07323 0.13453 ++ {0.0} {} 51.0187759399 5.1741 0 {} 0 0 0 230 {} 1.63987 0.04687 0.03419 ++ {0.0} {} {} 30.28207 0.16628 0.11148 ++ {0.0} {} -7.67514419556 -0.6338 0 {} 0 0 0 231 {} 1.63758 0.06544 0.11012 ++ {0.0} {} {} 27.22782 0.17867 0.24164 ++ {0.0} {} -110.167045593 -4.6764 0 {} 0 0 0 232 {} 1.63658 0.05787 0.08266 ++ {0.0} {} {} 26.86293 0.07781 0.14692 ++ {0.0} {} -125.158790588 -7.5386 0 {} 0 0 0 233 {} 1.62495 0.03767 0.14347 ++ {0.0} {} {} 29.94218 0.18685 0.26958 ++ {0.0} {} -67.6112136841 -1.7375 0 {} 0 0 0 234 {} 1.62304 0.12414 0.10704 ++ {0.0} {} {} 26.65588 0.04192 0.03309 ++ {0.0} {} 15.4622955322 0.6963 0 {} 0 0 0 235 {} 1.62613 0.05173 0.05996 ++ {0.0} {} {} 25.38696 0.17340 0.19572 ++ {0.0} {} -18.4870128632 -1.0225 0 {} 0 0 0 236 {} 1.61274 0.06499 0.04195 ++ {0.0} {} {} 28.98873 0.04835 0.03169 ++ {0.0} {} 3.72146296501 0.6268 0 {} 0 0 0 237 {} 1.58774 0.03926 0.02712 ++ {0.0} {} {} 31.36893 0.17154 0.11667 ++ {0.0} {} -6.73782157898 -0.6374 0 {} 0 0 0 238 {} 1.58651 0.04307 0.10407 ++ {0.0} {} {} 26.82505 0.12110 0.26644 ++ {0.0} {} -186.558105469 -9.0947 0 {} 0 0 0 239 {} 1.57759 0.05074 0.09999 ++ {0.0} {} {} 42.36989 0.10351 0.21816 ++ {0.0} {} -55.5554885864 -2.8862 0 {} 0 0 0 240 {} 1.54636 0.04734 0.06763 ++ {0.0} {} {} 29.94715 0.18863 0.21108 ++ {0.0} {} -22.8193817139 -1.0200 0 {} 0 0 0 241 {} 1.53525 0.02163 0.04916 ++ {0.0} {} {} 25.36615 0.12858 0.13184 ++ {0.0} {} -12.7190313339 -0.8648 0 {} 0 0 0 242 {} 1.50802 0.05011 0.07851 ++ {0.0} {} {} 25.07963 0.10057 0.19825 ++ {0.0} {} -40.9028892517 -2.4074 0 {} 0 0 0 243 {} 1.46951 0.06321 0.08098 ++ {0.0} {} {} 27.37574 0.19330 0.24550 ++ {0.0} {} -33.0098381042 -1.2021 0 {} 0 0 0 244 {} 1.45883 0.03440 0.01600 ++ {0.0} {} {} 18.31672 0.03746 0.01452 ++ {0.0} {} -1.45342636108 -0.5228 0 {} 0 0 0 245 {} 1.45137 0.03275 0.02307 ++ {0.0} {} {} 18.86464 0.25672 0.15573 ++ {0.0} {} 5.80220270157 0.6354 0 {} 0 0 0 246 {} 1.45612 0.02952 0.06366 ++ {0.0} {} {} 18.51950 0.10232 0.25998 ++ {0.0} {} 86.077911377 8.0058 0 {} 0 0 0 247 {} 1.43896 0.05200 0.04680 ++ {0.0} {} {} 26.93987 0.17591 0.15777 ++ {0.0} {} 10.9224309921 0.7439 0 {} 0 0 0 248 {} 1.43669 0.06170 0.14372 ++ {0.0} {} {} 25.36541 0.15928 0.24788 ++ {0.0} {} -66.5907821655 -2.5370 0 {} 0 0 0 249 {} 1.42491 0.05073 0.07856 ++ {0.0} {} {} 24.87510 0.14350 0.22558 ++ {0.0} {} -49.6366996765 -2.1363 0 {} 0 0 0 250 {} 1.42850 0.06515 0.03259 ++ {0.0} {} {} 24.61322 0.15049 0.03541 ++ {0.0} {} 2.70447850227 0.4775 0 {} 0 0 0 251 {} 1.41805 0.03972 0.03858 ++ {0.0} {} {} 29.22945 0.15336 0.04191 ++ {0.0} {} -6.02351665497 -0.4879 0 {} 0 0 0 252 {} 1.40701 0.05778 0.10183 ++ {0.0} {} {} 25.08558 0.12002 0.24305 ++ {0.0} {} -68.5678863525 -2.7427 0 {} 0 0 0 253 {} 1.40160 0.02875 0.04104 ++ {0.0} {} {} 19.24899 0.12675 0.20001 ++ {0.0} {} 20.3038330078 1.5618 0 {} 0 0 0 254 {} 1.37458 0.04348 0.08544 ++ {0.0} {} {} 26.60542 0.16074 0.25377 ++ {0.0} {} -59.2691764832 -3.3009 0 {} 0 0 0 255 {} 1.32870 0.05226 0.10509 ++ {0.0} {} {} 24.61966 0.14713 0.28369 ++ {0.0} {} -131.656600952 -6.6346 0 {} 0 0 0 256 {} 1.32721 0.12491 0.01547 ++ {0.0} {} {} 24.41515 0.08255 0.00742 ++ {0.0} {} 1.72891068459 0.4413 0 {} 0 0 0 257 {} 1.15712 0.02036 0.02528 ++ {0.0} {} {} 21.75951 0.05505 0.06869 ++ {0.0} {} -3.48638081551 -1.1206 0 {} 0 0 0 258 {} 1.15721 0.02776 0.06155 ++ {0.0} {} {} 21.56204 0.10616 0.24816 ++ {0.0} {} 157.258789062 19.1628 0 {} 0 0 0 259 {} 1.15831 0.02883 0.05224 ++ {0.0} {} {} 21.38633 0.02232 0.03667 ++ {0.0} {} -15.5472612381 -2.3599 0 {} 0 0 0 260 {} 1.15930 0.04010 0.00328 ++ {0.0} {} {} 21.05506 0.29585 0.09225 ++ {0.0} {} -0.847741246223 -0.4346 0 {} 0 0 0 261 {} 0.98770 0.08549 0.06509 ++ {0.0} {} {} 20.10443 0.17887 0.10198 ++ {0.0} {} -12.1063632965 -0.5623 0 {} 0 0 0 262 {} 0.94512 0.01910 0.04416 ++ {0.0} {} {} 24.28061 0.14726 0.35335 ++ {0.0} {} 189.836578369 17.8952 0 {} 0 0 0 263 {} 0.93947 0.02566 0.06284 ++ {0.0} {} {} 21.13865 0.15547 0.30848 ++ {0.0} {} 286.354125977 30.6039 0 {} 0 0 0 264 {} 0.93656 0.00663 0.00767 ++ {0.0} {} {} 24.76980 0.04962 0.05734 ++ {0.0} {} 1.86178314686 0.9982 0 {} 0 0 0 265 {} 0.93346 0.00368 0.00340 ++ {0.0} {} {} 24.48866 0.02738 0.02529 ++ {0.0} {} -0.783177137375 -0.7832 0 {} 0 0 0 266 {} 0.93422 0.02324 0.02470 ++ {0.0} {} {} 21.72495 0.09490 0.10166 ++ {0.0} {} 5.44724082947 0.9075 0 {} 0 0 0 267 {} 0.93288 0.01692 0.02891 ++ {0.0} {} {} 21.46345 0.09138 0.13503 ++ {0.0} {} 9.81621837616 1.6137 0 {} 0 0 0 268 {} 0.93468 0.02364 0.03588 ++ {0.0} {} {} 20.91612 0.03468 0.05487 ++ {0.0} {} -9.41632843018 -2.0166 0 {} 0 0 0 269 {} 0.93626 0.00899 0.00937 ++ {0.0} {} {} 20.61607 0.05707 0.05946 ++ {0.0} {} -2.89325022697 -0.8798 0 {} 0 0 0 270 {} 0.93125 0.00717 0.00683 ++ {0.0} {} {} 21.35682 0.01561 0.01486 ++ {0.0} {} -1.58242058754 -0.8046 0 {} 0 0 0 271 {} 0.92972 0.00830 0.01156 ++ {0.0} {} {} 20.34086 0.01592 0.02217 ++ {0.0} {} -2.47752714157 -1.3877 0 {} 0 0 0 272 {} 0.92930 0.02036 0.02957 ++ {0.0} {} {} 19.93024 0.08982 0.13783 ++ {0.0} {} -13.8620386124 -1.8106 0 {} 0 0 0 273 {} 0.92481 0.02182 0.01936 ++ {0.0} {} {} 19.68159 0.12124 0.10803 ++ {0.0} {} -4.98334932327 -0.7601 0 {} 0 0 0 274 {} 0.91933 0.03341 0.02439 ++ {0.0} {} {} 25.66659 0.25881 0.12151 ++ {0.0} {} 6.11495923996 0.6299 0 {} 0 0 0 275 {} 0.92003 0.02553 0.08376 ++ {0.0} {} {} 25.05744 0.12108 0.26932 ++ {0.0} {} 198.688751221 17.1710 0 {} 0 0 0 276 {} 0.91907 0.00988 0.01275 ++ {0.0} {} {} 24.86694 0.01160 0.01497 ++ {0.0} {} -4.43123865128 -1.1875 0 {} 0 0 0 277 {} 0.91830 0.01611 0.01055 ++ {0.0} {} {} 23.59455 0.07931 0.05511 ++ {0.0} {} -1.2664295435 -0.6458 0 {} 0 0 0 278 {} 0.91884 0.01218 0.00010 ++ {0.0} {} {} 23.29774 0.05748 0.00046 ++ {0.0} {} -0.42313799262 -0.4231 0 {} 0 0 0 279 {} 0.92409 0.01295 0.01365 ++ {0.0} {} {} 20.78316 0.07734 0.08150 ++ {0.0} {} 3.28092813492 0.8909 0 {} 0 0 0 280 {} 0.92009 0.01128 0.01212 ++ {0.0} {} {} 20.51473 0.10812 0.11618 ++ {0.0} {} 4.17875814438 0.9107 0 {} 0 0 0 281 {} 0.91867 0.02150 0.05510 ++ {0.0} {} {} 20.13295 0.11129 0.27402 ++ {0.0} {} 264.718139648 30.2412 0 {} 0 0 0 282 {} 0.92037 0.03258 0.02070 ++ {0.0} {} {} 19.43043 0.15790 0.22558 ++ {0.0} {} -8.73185634613 -0.5847 0 {} 0 0 0 283 {} 0.91572 0.02429 0.02963 ++ {0.0} {} {} 25.37932 0.12262 0.15678 ++ {0.0} {} 8.25000572205 1.1233 0 {} 0 0 0 284 {} 0.91126 0.01373 0.01169 ++ {0.0} {} {} 24.73834 0.03239 0.02759 ++ {0.0} {} 2.31553030014 0.7342 0 {} 0 0 0 285 {} 0.91308 0.00632 0.00686 ++ {0.0} {} {} 24.29133 0.02705 0.02933 ++ {0.0} {} -1.35196256638 -0.9207 0 {} 0 0 0 286 {} 0.91339 0.02533 0.04567 ++ {0.0} {} {} 23.86526 0.05423 0.08536 ++ {0.0} {} -5.93031692505 -1.9793 0 {} 0 0 0 287 {} 0.91394 0.00946 0.01708 ++ {0.0} {} {} 23.73827 0.04895 0.03231 ++ {0.0} {} 1.62349462509 0.6291 0 {} 0 0 0 288 {} 0.90896 0.02561 0.05887 ++ {0.0} {} {} 24.07662 0.16540 0.30949 ++ {0.0} {} 184.122817993 16.3096 0 {} 0 0 0 289 {} 0.90584 0.00718 0.00758 ++ {0.0} {} {} 21.07181 0.16620 0.17206 ++ {0.0} {} -3.37116074562 -0.8932 0 {} 0 0 0 290 {} 0.86236 0.01856 0.03355 ++ {0.0} {} {} 24.24773 0.24686 0.35266 ++ {0.0} {} 17.9282493591 0.7241 0 {} 0 0 0 291 {} 0.85700 0.02653 0.06395 ++ {0.0} {} {} 23.37319 0.10703 0.29304 ++ {0.0} {} 206.972473145 21.8426 0 {} 0 0 0 292 {} 0.86209 0.02140 0.02493 ++ {0.0} {} {} 23.16517 0.02452 0.03022 ++ {0.0} {} -5.79369544983 -1.0980 0 {} 0 0 0 293 {} 0.85877 0.03120 0.00830 ++ {0.0} {} {} 22.80420 0.31319 0.06911 ++ {0.0} {} -1.74285066128 -0.4663 0 {} 0 0 0 294 {} 0.81871 0.03026 0.07218 ++ {0.0} {} {} 23.67845 0.13664 0.29527 ++ {0.0} {} 86.8082504272 6.8829 0 {} 0 0 0 295 {} 0.43369 0.02941 0.06988 ++ {0.0} {} {} 24.84465 0.10828 0.24595 ++ {0.0} {} 65.1166687012 5.9947 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 . 'not observed' 2105.508 Hz . . . 4.788 . . 31014 3 2 . . C 13 C-aliphatic . 'not observed' 9649.143 Hz . . . 46.153 . . 31014 3 3 . . N 15 HN . 'not observed' 1399.997 Hz . . . 119.161 . . 31014 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 31014 _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 1 _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 . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; label dataset sw sf H1 C13 N15 HNCO.nv 2105.50805664 2261.51806641 1400.02099609 599.598022461 150.794006348 60.763999939 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 {} 8.04191 0.02656 0.05787 ++ {0.0} {} {} 174.75296 0.32946 0.91909 ++ {0.0} {} {} 127.27464 0.45174 1.21848 ++ {0.0} {} 351.776245117 16.8737 0 {} 0 0 0 1 {} 8.16268 0.03853 0.07206 ++ {0.0} {} {} 175.29820 0.43441 0.76717 ++ {0.0} {} {} 123.89718 0.59519 1.19870 ++ {0.0} {} 72.2358093262 3.3064 0 {} 0 0 0 2 {} 8.42797 0.03508 0.09992 ++ {0.0} {} {} 175.94400 0.34642 0.85489 ++ {0.0} {} {} 123.11307 0.70160 1.35952 ++ {0.0} {} 236.279678345 7.8303 0 {} 0 0 0 3 {} 8.36679 0.04072 0.06082 ++ {0.0} {} {} 175.14963 0.32194 0.46381 ++ {0.0} {} {} 123.21284 0.52818 0.76094 ++ {0.0} {} 46.4731063843 1.7926 0 {} 0 0 0 4 {} 8.13759 0.02834 0.06153 ++ {0.0} {} {} 175.70499 0.49727 1.06620 ++ {0.0} {} {} 122.24276 0.45782 1.15433 ++ {0.0} {} 357.940216064 9.9442 0 {} 0 0 0 5 {} 7.97704 0.03889 0.06640 ++ {0.0} {} {} 178.56520 0.44352 0.73126 ++ {0.0} {} {} 122.03990 0.64635 1.08942 ++ {0.0} {} 53.2663612366 2.4722 0 {} 0 0 0 6 {} 8.09365 0.03514 0.06320 ++ {0.0} {} {} 177.83969 0.38862 0.77270 ++ {0.0} {} {} 122.12540 0.52343 1.06396 ++ {0.0} {} 68.7321929932 3.2380 0 {} 0 0 0 7 {} 8.70778 0.04055 0.07013 ++ {0.0} {} {} 176.66490 0.37332 0.67414 ++ {0.0} {} {} 122.07170 0.61437 1.07602 ++ {0.0} {} 57.9635543823 2.4574 0 {} 0 0 0 8 {} 8.11385 0.02951 0.07103 ++ {0.0} {} {} 176.42577 0.36633 0.88545 ++ {0.0} {} {} 121.70364 0.66145 1.34187 ++ {0.0} {} 259.895141602 12.8186 0 {} 0 0 0 9 {} 8.07405 0.03031 0.02598 ++ {0.0} {} {} 175.51802 0.43937 0.35444 ++ {0.0} {} {} 121.58389 0.46851 0.37794 ++ {0.0} {} 11.0635709763 0.8402 0 {} 0 0 0 10 {} 8.54378 0.03601 0.06893 ++ {0.0} {} {} 175.26959 0.39933 0.78267 ++ {0.0} {} {} 121.51058 0.44554 0.76226 ++ {0.0} {} 85.5969161987 3.4682 0 {} 0 0 0 11 {} 8.14856 0.03196 0.06599 ++ {0.0} {} {} 178.63359 0.35793 0.84373 ++ {0.0} {} {} 120.99598 0.60530 1.25158 ++ {0.0} {} 118.682296753 5.3034 0 {} 0 0 0 12 {} 8.21537 0.03385 0.07346 ++ {0.0} {} {} 177.60931 0.39248 0.81518 ++ {0.0} {} {} 120.88560 0.52400 1.13370 ++ {0.0} {} 97.327255249 4.4105 0 {} 0 0 0 13 {} 7.99926 0.03487 0.06421 ++ {0.0} {} {} 177.62526 0.44349 0.78753 ++ {0.0} {} {} 120.82431 0.46597 0.78994 ++ {0.0} {} 72.3749542236 3.2902 0 {} 0 0 0 14 {} 8.37283 0.03237 0.06584 ++ {0.0} {} {} 176.81235 0.31807 0.69331 ++ {0.0} {} {} 120.99489 0.67923 1.29325 ++ {0.0} {} 111.414421082 4.1587 0 {} 0 0 0 15 {} 8.07016 0.04315 0.05278 ++ {0.0} {} {} 174.59401 0.44161 0.55972 ++ {0.0} {} {} 120.79435 0.44839 0.56045 ++ {0.0} {} 31.1217880249 1.3368 0 {} 0 0 0 16 {} 8.07917 0.03162 0.06803 ++ {0.0} {} {} 180.00996 0.40697 0.85299 ++ {0.0} {} {} 120.62653 0.62470 1.25945 ++ {0.0} {} 111.061645508 5.9181 0 {} 0 0 0 17 {} 8.32216 0.02848 0.05749 ++ {0.0} {} {} 178.73459 0.33610 0.75705 ++ {0.0} {} {} 120.59731 0.64010 1.22663 ++ {0.0} {} 127.466552734 4.8029 0 {} 0 0 0 18 {} 8.64014 0.04029 0.05621 ++ {0.0} {} {} 177.61464 0.40430 0.58156 ++ {0.0} {} {} 120.70532 0.50929 0.69953 ++ {0.0} {} 37.0612983704 1.6005 0 {} 0 0 0 19 {} 8.28452 0.03078 0.07511 ++ {0.0} {} {} 177.58572 0.34867 0.88620 ++ {0.0} {} {} 120.55226 0.58993 1.34240 ++ {0.0} {} 211.136642456 9.0527 0 {} 0 0 0 20 {} 8.29239 0.03369 0.07453 ++ {0.0} {} {} 176.32253 0.32678 0.81956 ++ {0.0} {} {} 120.24132 0.64968 1.28433 ++ {0.0} {} 145.195007324 6.5481 0 {} 0 0 0 21 {} 8.18428 0.03184 0.06520 ++ {0.0} {} {} 176.03793 0.37092 0.85818 ++ {0.0} {} {} 120.21772 0.62612 1.29732 ++ {0.0} {} 148.725387573 8.3203 0 {} 0 0 0 22 {} 7.89012 0.03175 0.03753 ++ {0.0} {} {} 174.86621 0.36630 0.45630 ++ {0.0} {} {} 120.09035 0.45721 0.56956 ++ {0.0} {} 22.4279556274 1.3293 0 {} 0 0 0 23 {} 8.39195 0.04378 0.08854 ++ {0.0} {} {} 178.29172 0.35966 0.82569 ++ {0.0} {} {} 119.91007 1.05596 1.78821 ++ {0.0} {} 265.123596191 5.4361 0 {} 0 0 0 24 {} 8.40084 0.04824 0.05190 ++ {0.0} {} {} 176.64793 0.36480 0.39839 ++ {0.0} {} {} 120.00022 0.48714 0.53199 ++ {0.0} {} 27.0368232727 1.1044 0 {} 0 0 0 25 {} 8.06840 0.05351 0.02187 ++ {0.0} {} {} 174.35220 0.43758 0.11133 ++ {0.0} {} {} 119.37238 0.47065 0.11974 ++ {0.0} {} 4.17141628265 0.5744 0 {} 0 0 0 26 {} 7.89119 0.02858 0.05964 ++ {0.0} {} {} 179.99112 0.44666 0.86194 ++ {0.0} {} {} 119.22041 0.55892 1.28115 ++ {0.0} {} 117.828819275 6.7505 0 {} 0 0 0 27 {} 7.92147 0.03313 0.07385 ++ {0.0} {} {} 179.03098 0.53772 0.76817 ++ {0.0} {} {} 119.22946 0.54611 1.24685 ++ {0.0} {} 165.971984863 5.4268 0 {} 0 0 0 28 {} 8.55512 0.03872 0.04963 ++ {0.0} {} {} 178.26872 0.33822 0.43396 ++ {0.0} {} {} 119.27840 0.49181 0.63103 ++ {0.0} {} 34.0466194153 1.3986 0 {} 0 0 0 29 {} 7.76958 0.02877 0.05420 ++ {0.0} {} {} 178.13684 0.61737 0.93070 ++ {0.0} {} {} 119.23010 0.54325 1.12054 ++ {0.0} {} 107.272979736 3.3196 0 {} 0 0 0 30 {} 8.20921 0.03718 0.06286 ++ {0.0} {} {} 177.90732 0.39011 0.70909 ++ {0.0} {} {} 119.10387 0.54763 0.94281 ++ {0.0} {} 51.4494285583 2.3956 0 {} 0 0 0 31 {} 8.20278 0.04565 0.04356 ++ {0.0} {} {} 178.91278 0.33078 0.31413 ++ {0.0} {} {} 118.73966 0.53665 0.50964 ++ {0.0} {} 19.4033584595 0.9546 0 {} 0 0 0 32 {} 7.95215 0.03136 0.05907 ++ {0.0} {} {} 176.45407 0.43765 0.82773 ++ {0.0} {} {} 118.94660 0.47627 1.05278 ++ {0.0} {} 98.5909957886 4.6645 0 {} 0 0 0 33 {} 8.22111 0.03809 0.08372 ++ {0.0} {} {} 174.29999 0.34533 0.77070 ++ {0.0} {} {} 118.80225 0.64642 1.22572 ++ {0.0} {} 112.847442627 4.4069 0 {} 0 0 0 34 {} 7.50838 0.03325 0.06018 ++ {0.0} {} {} 177.20920 0.37638 0.80027 ++ {0.0} {} {} 118.27074 0.44668 0.78355 ++ {0.0} {} 96.7204589844 4.0786 0 {} 0 0 0 35 {} 8.23537 0.02630 0.03757 ++ {0.0} {} {} 180.16800 0.37338 0.71831 ++ {0.0} {} {} 118.11139 0.62181 1.12319 ++ {0.0} {} 56.1298980713 2.8346 0 {} 0 0 0 36 {} 8.02136 0.03226 0.05600 ++ {0.0} {} {} 178.25537 0.32208 0.57703 ++ {0.0} {} {} 118.19620 0.49821 0.90823 ++ {0.0} {} 71.2367630005 2.9096 0 {} 0 0 0 37 {} 8.27615 0.03109 0.08981 ++ {0.0} {} {} 180.20445 0.43819 0.84110 ++ {0.0} {} {} 117.77481 0.58167 1.27253 ++ {0.0} {} 153.259552002 5.4833 0 {} 0 0 0 38 {} 7.92610 0.02721 0.05582 ++ {0.0} {} {} 179.67461 0.33095 0.74760 ++ {0.0} {} {} 117.57963 0.46359 0.96492 ++ {0.0} {} 111.770050049 4.9502 0 {} 0 0 0 39 {} 8.76518 0.03208 0.06498 ++ {0.0} {} {} 177.62590 0.43800 0.81699 ++ {0.0} {} {} 117.77636 0.56377 1.20356 ++ {0.0} {} 84.1523361206 4.2307 0 {} 0 0 0 40 {} 7.67556 0.03443 0.07505 ++ {0.0} {} {} 176.65947 0.36814 0.82652 ++ {0.0} {} {} 116.99760 0.64088 1.23814 ++ {0.0} {} 104.165184021 5.0957 0 {} 0 0 0 41 {} 8.52089 0.05953 0.00509 ++ {0.0} {} {} 177.14822 0.40702 0.01874 ++ {0.0} {} {} 116.06201 0.47521 0.02188 ++ {0.0} {} 1.02244544029 0.5132 0 {} 0 0 0 42 {} 7.41735 0.03463 0.06701 ++ {0.0} {} {} 177.02486 0.32613 0.71962 ++ {0.0} {} {} 114.88853 0.57690 1.20073 ++ {0.0} {} 92.5680389404 4.1108 0 {} 0 0 0 43 {} 8.05073 0.03385 0.06753 ++ {0.0} {} {} 178.15384 0.37681 0.80283 ++ {0.0} {} {} 114.11416 0.64036 1.18294 ++ {0.0} {} 76.2799835205 3.8155 0 {} 0 0 0 44 {} 7.50615 0.04543 0.01055 ++ {0.0} {} {} 180.25009 0.42846 0.05884 ++ {0.0} {} {} 111.59670 0.69146 0.09496 ++ {0.0} {} 1.53150892258 0.5383 0 {} 0 0 0 45 {} 6.89418 0.06971 0.02036 ++ {0.0} {} {} 180.18274 0.42100 0.14179 ++ {0.0} {} {} 111.66006 0.78632 0.26483 ++ {0.0} {} 3.86251306534 0.6029 0 {} 0 0 0 46 {} 8.41248 0.04292 0.06518 ++ {0.0} {} {} 176.84641 0.32316 0.48044 ++ {0.0} {} {} 110.44008 0.51143 0.76034 ++ {0.0} {} 50.6888999939 1.9534 0 {} 0 0 0 47 {} 8.03226 0.05004 0.03557 ++ {0.0} {} {} 177.13031 0.36434 0.23382 ++ {0.0} {} {} 108.10350 0.50440 0.32371 ++ {0.0} {} 11.2880191803 0.7382 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 . 'not observed' 2105.508 Hz . . . 4.788 . . 31014 4 2 . . C 13 CO . 'not observed' 2261.518 Hz . . . 174.125 . . 31014 4 3 . . N 15 HN . 'not observed' 1400.021 Hz . . . 119.161 . . 31014 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 31014 _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 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 ; Accessed via the Ponderosa Web client Automatic NOE assignments via CYANA. Structure calculation and refinement via simulated annealing carried out using X-PLOR NIH. 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 ; NOESYTYPE 1 13C-NOESY AXISORDER 1 ChH 36.159 2.302 2.302 190773249.57 E26CG E26HG2 E26HG2 43.311 3.216 3.216 172340441.43 R53CD R53HD2 R53HD2 33.878 2.420 2.420 53895804.44 Q29CG Q29HG2 Q29HG2 42.120 2.957 2.957 40992834.23 K52CE K52HE2 K52HE2 33.708 2.479 2.479 37763541.71 Q17CG Q17HG2 Q17HG2 45.177 4.061 4.061 32194778.80 G1CA G1HA2 G1HA2 41.194 2.676 2.676 31114296.63 D3CB D3HB2 D3HB2 33.802 2.551 2.551 30696658.06 Q21CG Q21HG2 Q21HG2 50.646 3.743 3.743 28102589.03 P10CD P10HD2 P10HD2 54.612 4.626 4.626 24019478.00 D55CA D55HA D55HA 45.424 3.981 3.981 17689626.54 G47CA G47HA2 G47HA2 36.069 2.470 2.470 17212298.61 E23CG E23HG2 E23HG2 33.190 1.745 1.745 16274027.33 K52CB K52HB2 K52HB2 32.156 2.291 2.291 14850990.00 P5CB P5HB2 P5HB2 33.674 2.373 2.373 14152622.29 Q32CG Q32HG2 Q32HG2 43.536 3.143 3.143 12519877.90 R41CD R41HD2 R41HD2 32.783 1.900 1.900 10894326.00 K44CB K44HB2 K44HB2 36.634 1.923 1.923 8051228.76 E40CG E40HG2 E40HG2 32.675 1.765 1.765 7320304.73 K31CB K31HB2 K31HB2 41.194 2.594 2.594 6837306.66 D3CB D3HB3 D3HB3 42.954 2.908 2.908 6117230.81 R46CD R46HD2 R46HD2 38.807 2.987 2.987 5082743.70 Y51CB Y51HB2 Y51HB2 36.656 2.396 2.396 4150728.00 E12CG E12HG2 E12HG2 34.638 2.540 2.540 3883731.50 Q30CG Q30HG2 Q30HG2 33.236 2.719 2.719 3590460.23 M19CG M19HG2 M19HG2 62.387 4.162 4.162 3041313.31 V2CA V2HA V2HA 35.945 3.171 3.171 2920166.55 C22CB C22HB2 C22HB2 54.947 4.202 4.202 2786548.90 A11CA A11HA A11HA 63.428 4.426 4.426 2732376.51 P5CA P5HA P5HA 45.088 3.928 3.928 2499290.80 G27CA G27HA3 G27HA3 36.850 3.504 3.504 2374046.68 C18CB C18HB2 C18HB2 42.407 1.685 1.685 2224104.00 D56CB D56HB2 D56HB2 38.650 3.347 3.347 1920473.11 F36CB F36HB2 F36HB2 58.120 4.047 4.047 1656767.59 E23CA E23HA E23HA 56.942 4.088 4.088 1630187.63 R46CA R46HA R46HA 56.660 4.265 4.265 1594640.43 R53CA R53HA R53HA 39.054 3.085 3.085 1485499.62 Y42CB Y42HB2 Y42HB2 60.219 4.149 4.149 1033554.30 R35CA R35HA R35HA 59.824 4.023 4.023 999285.61 R37CA R37HA R37HA 59.468 4.113 4.113 968825.14 R20CA R20HA R20HA 69.775 4.232 4.232 923800.94 T7CB T7HB T7HB 41.187 1.846 1.846 810019.58 L15CB L15HB2 L15HB2 57.121 4.261 4.261 768134.41 E54CA E54HA E54HA 61.472 4.117 4.117 606171.30 S16CA S16HA S16HA 58.531 4.490 4.490 568962.48 S6CA S6HA S6HA 56.231 4.567 4.567 520707.81 H49CA H49HA H49HA 39.054 3.225 3.225 483920.72 Y42CB Y42HB3 Y42HB3 42.407 1.581 1.581 470306.41 D56CB D56HB3 D56HB3 36.850 3.144 3.144 444839.91 C18CB C18HB3 C18HB3 62.041 4.305 4.305 441997.51 T7CA T7HA T7HA 64.748 4.181 4.181 435661.80 P10CA P10HA P10HA 35.350 3.049 3.049 431815.47 C34CB C34HB2 C34HB2 42.245 3.108 3.108 321814.09 R35CD R35HD2 R35HD2 37.464 3.454 3.454 314582.16 C38CB C38HB2 C38HB2 58.003 4.679 4.679 286257.53 M19CA M19HA M19HA 60.933 4.249 4.249 146375.53 C18CA C18HA C18HA 35.350 3.518 3.518 130753.87 C34CB C34HB3 C34HB3 61.019 3.846 3.846 119143.11 K31CA K31HA K31HA 58.087 4.604 4.604 104705.94 H14CA H14HA H14HA ; 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 . 'not observed' 6303.663 Hz . . . 4.788 . . 31014 5 2 . . H 1 H . 'not observed' 6595.218 Hz . . . 4.788 . . 31014 5 3 . . C 13 C . aliased 3618.763 Hz . . . 67.147 . . 31014 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 31014 _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 8 _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 ; Accessed via the Ponderosa Web client Automatic NOE assignments via CYANA. Structure calculation and refinement via simulated annealing carried out using X-PLOR NIH. 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 C13 N15 HNCO.nv 2105.50805664 2261.51806641 1400.02099609 599.598022461 150.794006348 60.763999939 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 {} 8.04191 0.02656 0.05787 ++ {0.0} {} {} 174.75296 0.32946 0.91909 ++ {0.0} {} {} 127.27464 0.45174 1.21848 ++ {0.0} {} 351.776245117 16.8737 0 {} 0 0 0 1 {} 8.16268 0.03853 0.07206 ++ {0.0} {} {} 175.29820 0.43441 0.76717 ++ {0.0} {} {} 123.89718 0.59519 1.19870 ++ {0.0} {} 72.2358093262 3.3064 0 {} 0 0 0 2 {} 8.42797 0.03508 0.09992 ++ {0.0} {} {} 175.94400 0.34642 0.85489 ++ {0.0} {} {} 123.11307 0.70160 1.35952 ++ {0.0} {} 236.279678345 7.8303 0 {} 0 0 0 3 {} 8.36679 0.04072 0.06082 ++ {0.0} {} {} 175.14963 0.32194 0.46381 ++ {0.0} {} {} 123.21284 0.52818 0.76094 ++ {0.0} {} 46.4731063843 1.7926 0 {} 0 0 0 4 {} 8.13759 0.02834 0.06153 ++ {0.0} {} {} 175.70499 0.49727 1.06620 ++ {0.0} {} {} 122.24276 0.45782 1.15433 ++ {0.0} {} 357.940216064 9.9442 0 {} 0 0 0 5 {} 7.97704 0.03889 0.06640 ++ {0.0} {} {} 178.56520 0.44352 0.73126 ++ {0.0} {} {} 122.03990 0.64635 1.08942 ++ {0.0} {} 53.2663612366 2.4722 0 {} 0 0 0 6 {} 8.09365 0.03514 0.06320 ++ {0.0} {} {} 177.83969 0.38862 0.77270 ++ {0.0} {} {} 122.12540 0.52343 1.06396 ++ {0.0} {} 68.7321929932 3.2380 0 {} 0 0 0 7 {} 8.70778 0.04055 0.07013 ++ {0.0} {} {} 176.66490 0.37332 0.67414 ++ {0.0} {} {} 122.07170 0.61437 1.07602 ++ {0.0} {} 57.9635543823 2.4574 0 {} 0 0 0 8 {} 8.11385 0.02951 0.07103 ++ {0.0} {} {} 176.42577 0.36633 0.88545 ++ {0.0} {} {} 121.70364 0.66145 1.34187 ++ {0.0} {} 259.895141602 12.8186 0 {} 0 0 0 9 {} 8.07405 0.03031 0.02598 ++ {0.0} {} {} 175.51802 0.43937 0.35444 ++ {0.0} {} {} 121.58389 0.46851 0.37794 ++ {0.0} {} 11.0635709763 0.8402 0 {} 0 0 0 10 {} 8.54378 0.03601 0.06893 ++ {0.0} {} {} 175.26959 0.39933 0.78267 ++ {0.0} {} {} 121.51058 0.44554 0.76226 ++ {0.0} {} 85.5969161987 3.4682 0 {} 0 0 0 11 {} 8.14856 0.03196 0.06599 ++ {0.0} {} {} 178.63359 0.35793 0.84373 ++ {0.0} {} {} 120.99598 0.60530 1.25158 ++ {0.0} {} 118.682296753 5.3034 0 {} 0 0 0 12 {} 8.21537 0.03385 0.07346 ++ {0.0} {} {} 177.60931 0.39248 0.81518 ++ {0.0} {} {} 120.88560 0.52400 1.13370 ++ {0.0} {} 97.327255249 4.4105 0 {} 0 0 0 13 {} 7.99926 0.03487 0.06421 ++ {0.0} {} {} 177.62526 0.44349 0.78753 ++ {0.0} {} {} 120.82431 0.46597 0.78994 ++ {0.0} {} 72.3749542236 3.2902 0 {} 0 0 0 14 {} 8.37283 0.03237 0.06584 ++ {0.0} {} {} 176.81235 0.31807 0.69331 ++ {0.0} {} {} 120.99489 0.67923 1.29325 ++ {0.0} {} 111.414421082 4.1587 0 {} 0 0 0 15 {} 8.07016 0.04315 0.05278 ++ {0.0} {} {} 174.59401 0.44161 0.55972 ++ {0.0} {} {} 120.79435 0.44839 0.56045 ++ {0.0} {} 31.1217880249 1.3368 0 {} 0 0 0 16 {} 8.07917 0.03162 0.06803 ++ {0.0} {} {} 180.00996 0.40697 0.85299 ++ {0.0} {} {} 120.62653 0.62470 1.25945 ++ {0.0} {} 111.061645508 5.9181 0 {} 0 0 0 17 {} 8.32216 0.02848 0.05749 ++ {0.0} {} {} 178.73459 0.33610 0.75705 ++ {0.0} {} {} 120.59731 0.64010 1.22663 ++ {0.0} {} 127.466552734 4.8029 0 {} 0 0 0 18 {} 8.64014 0.04029 0.05621 ++ {0.0} {} {} 177.61464 0.40430 0.58156 ++ {0.0} {} {} 120.70532 0.50929 0.69953 ++ {0.0} {} 37.0612983704 1.6005 0 {} 0 0 0 19 {} 8.28452 0.03078 0.07511 ++ {0.0} {} {} 177.58572 0.34867 0.88620 ++ {0.0} {} {} 120.55226 0.58993 1.34240 ++ {0.0} {} 211.136642456 9.0527 0 {} 0 0 0 20 {} 8.29239 0.03369 0.07453 ++ {0.0} {} {} 176.32253 0.32678 0.81956 ++ {0.0} {} {} 120.24132 0.64968 1.28433 ++ {0.0} {} 145.195007324 6.5481 0 {} 0 0 0 21 {} 8.18428 0.03184 0.06520 ++ {0.0} {} {} 176.03793 0.37092 0.85818 ++ {0.0} {} {} 120.21772 0.62612 1.29732 ++ {0.0} {} 148.725387573 8.3203 0 {} 0 0 0 22 {} 7.89012 0.03175 0.03753 ++ {0.0} {} {} 174.86621 0.36630 0.45630 ++ {0.0} {} {} 120.09035 0.45721 0.56956 ++ {0.0} {} 22.4279556274 1.3293 0 {} 0 0 0 23 {} 8.39195 0.04378 0.08854 ++ {0.0} {} {} 178.29172 0.35966 0.82569 ++ {0.0} {} {} 119.91007 1.05596 1.78821 ++ {0.0} {} 265.123596191 5.4361 0 {} 0 0 0 24 {} 8.40084 0.04824 0.05190 ++ {0.0} {} {} 176.64793 0.36480 0.39839 ++ {0.0} {} {} 120.00022 0.48714 0.53199 ++ {0.0} {} 27.0368232727 1.1044 0 {} 0 0 0 25 {} 8.06840 0.05351 0.02187 ++ {0.0} {} {} 174.35220 0.43758 0.11133 ++ {0.0} {} {} 119.37238 0.47065 0.11974 ++ {0.0} {} 4.17141628265 0.5744 0 {} 0 0 0 26 {} 7.89119 0.02858 0.05964 ++ {0.0} {} {} 179.99112 0.44666 0.86194 ++ {0.0} {} {} 119.22041 0.55892 1.28115 ++ {0.0} {} 117.828819275 6.7505 0 {} 0 0 0 27 {} 7.92147 0.03313 0.07385 ++ {0.0} {} {} 179.03098 0.53772 0.76817 ++ {0.0} {} {} 119.22946 0.54611 1.24685 ++ {0.0} {} 165.971984863 5.4268 0 {} 0 0 0 28 {} 8.55512 0.03872 0.04963 ++ {0.0} {} {} 178.26872 0.33822 0.43396 ++ {0.0} {} {} 119.27840 0.49181 0.63103 ++ {0.0} {} 34.0466194153 1.3986 0 {} 0 0 0 29 {} 7.76958 0.02877 0.05420 ++ {0.0} {} {} 178.13684 0.61737 0.93070 ++ {0.0} {} {} 119.23010 0.54325 1.12054 ++ {0.0} {} 107.272979736 3.3196 0 {} 0 0 0 30 {} 8.20921 0.03718 0.06286 ++ {0.0} {} {} 177.90732 0.39011 0.70909 ++ {0.0} {} {} 119.10387 0.54763 0.94281 ++ {0.0} {} 51.4494285583 2.3956 0 {} 0 0 0 31 {} 8.20278 0.04565 0.04356 ++ {0.0} {} {} 178.91278 0.33078 0.31413 ++ {0.0} {} {} 118.73966 0.53665 0.50964 ++ {0.0} {} 19.4033584595 0.9546 0 {} 0 0 0 32 {} 7.95215 0.03136 0.05907 ++ {0.0} {} {} 176.45407 0.43765 0.82773 ++ {0.0} {} {} 118.94660 0.47627 1.05278 ++ {0.0} {} 98.5909957886 4.6645 0 {} 0 0 0 33 {} 8.22111 0.03809 0.08372 ++ {0.0} {} {} 174.29999 0.34533 0.77070 ++ {0.0} {} {} 118.80225 0.64642 1.22572 ++ {0.0} {} 112.847442627 4.4069 0 {} 0 0 0 34 {} 7.50838 0.03325 0.06018 ++ {0.0} {} {} 177.20920 0.37638 0.80027 ++ {0.0} {} {} 118.27074 0.44668 0.78355 ++ {0.0} {} 96.7204589844 4.0786 0 {} 0 0 0 35 {} 8.23537 0.02630 0.03757 ++ {0.0} {} {} 180.16800 0.37338 0.71831 ++ {0.0} {} {} 118.11139 0.62181 1.12319 ++ {0.0} {} 56.1298980713 2.8346 0 {} 0 0 0 36 {} 8.02136 0.03226 0.05600 ++ {0.0} {} {} 178.25537 0.32208 0.57703 ++ {0.0} {} {} 118.19620 0.49821 0.90823 ++ {0.0} {} 71.2367630005 2.9096 0 {} 0 0 0 37 {} 8.27615 0.03109 0.08981 ++ {0.0} {} {} 180.20445 0.43819 0.84110 ++ {0.0} {} {} 117.77481 0.58167 1.27253 ++ {0.0} {} 153.259552002 5.4833 0 {} 0 0 0 38 {} 7.92610 0.02721 0.05582 ++ {0.0} {} {} 179.67461 0.33095 0.74760 ++ {0.0} {} {} 117.57963 0.46359 0.96492 ++ {0.0} {} 111.770050049 4.9502 0 {} 0 0 0 39 {} 8.76518 0.03208 0.06498 ++ {0.0} {} {} 177.62590 0.43800 0.81699 ++ {0.0} {} {} 117.77636 0.56377 1.20356 ++ {0.0} {} 84.1523361206 4.2307 0 {} 0 0 0 40 {} 7.67556 0.03443 0.07505 ++ {0.0} {} {} 176.65947 0.36814 0.82652 ++ {0.0} {} {} 116.99760 0.64088 1.23814 ++ {0.0} {} 104.165184021 5.0957 0 {} 0 0 0 41 {} 8.52089 0.05953 0.00509 ++ {0.0} {} {} 177.14822 0.40702 0.01874 ++ {0.0} {} {} 116.06201 0.47521 0.02188 ++ {0.0} {} 1.02244544029 0.5132 0 {} 0 0 0 42 {} 7.41735 0.03463 0.06701 ++ {0.0} {} {} 177.02486 0.32613 0.71962 ++ {0.0} {} {} 114.88853 0.57690 1.20073 ++ {0.0} {} 92.5680389404 4.1108 0 {} 0 0 0 43 {} 8.05073 0.03385 0.06753 ++ {0.0} {} {} 178.15384 0.37681 0.80283 ++ {0.0} {} {} 114.11416 0.64036 1.18294 ++ {0.0} {} 76.2799835205 3.8155 0 {} 0 0 0 44 {} 7.50615 0.04543 0.01055 ++ {0.0} {} {} 180.25009 0.42846 0.05884 ++ {0.0} {} {} 111.59670 0.69146 0.09496 ++ {0.0} {} 1.53150892258 0.5383 0 {} 0 0 0 45 {} 6.89418 0.06971 0.02036 ++ {0.0} {} {} 180.18274 0.42100 0.14179 ++ {0.0} {} {} 111.66006 0.78632 0.26483 ++ {0.0} {} 3.86251306534 0.6029 0 {} 0 0 0 46 {} 8.41248 0.04292 0.06518 ++ {0.0} {} {} 176.84641 0.32316 0.48044 ++ {0.0} {} {} 110.44008 0.51143 0.76034 ++ {0.0} {} 50.6888999939 1.9534 0 {} 0 0 0 47 {} 8.03226 0.05004 0.03557 ++ {0.0} {} {} 177.13031 0.36434 0.23382 ++ {0.0} {} {} 108.10350 0.50440 0.32371 ++ {0.0} {} 11.2880191803 0.7382 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 . 'not observed' 2405.85888672 Hz . . . 4.78800010681 . . 31014 6 2 . . H 1 H . 'not observed' 6595.21777344 Hz . . . 4.78800010681 . . 31014 6 3 . . N 15 HN . 'not observed' 1399.99597168 Hz . . . 119.161 . . 31014 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 31014 _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 7 _Spectral_peak_list.Experiment_name '2D 1H-13C 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 gc_co_nh.nv 2105.50805664 9649.14257813 1399.99694824 599.598022461 150.774993896 60.763999939 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 {} 8.01446 0.02187 0.00754 ++ {0.0} {} {} 55.71609 0.77703 0.26932 ++ {0.0} {} {} 130.27061 0.67235 0.23304 ++ {0.0} {} 0.0800807401538 0.0422 0 {} 0 0 0 1 {} 8.01021 0.02118 0.02535 ++ {0.0} {} {} 33.76466 0.70304 0.87924 ++ {0.0} {} {} 130.22974 0.43013 0.53793 ++ {0.0} {} 1.05160570145 0.0931 0 {} 0 0 0 2 {} 8.08834 0.02708 0.02789 ++ {0.0} {} {} 33.86407 0.69214 0.72003 ++ {0.0} {} {} 127.78467 0.68432 0.71141 ++ {0.0} {} 0.966268599033 0.0727 0 {} 0 0 0 3 {} 8.03960 0.02952 0.07528 ++ {0.0} {} {} 43.32678 0.78597 1.12281 ++ {0.0} {} {} 127.26253 0.44838 1.33178 ++ {0.0} {} 122.582878113 5.5452 0 {} 0 0 0 4 {} 7.91686 0.05593 0.00828 ++ {0.0} {} {} 43.27444 0.91595 0.16857 ++ {0.0} {} {} 127.44852 0.68049 0.12524 ++ {0.0} {} 0.103548154235 0.0384 0 {} 0 0 0 5 {} 8.03380 0.02823 0.02894 ++ {0.0} {} {} 38.46776 0.68167 0.70655 ++ {0.0} {} {} 127.29426 0.48294 0.50057 ++ {0.0} {} 1.01072955132 0.0724 0 {} 0 0 0 6 {} 7.77420 0.02689 0.03140 ++ {0.0} {} {} 38.66272 0.97442 1.19288 ++ {0.0} {} {} 127.36326 0.56134 0.68328 ++ {0.0} {} 1.31259632111 0.0891 0 {} 0 0 0 7 {} 8.03958 0.02964 0.07497 ++ {0.0} {} {} 26.76371 0.70784 1.88441 ++ {0.0} {} {} 127.26380 0.44804 1.31153 ++ {0.0} {} 60.9101982117 3.2074 0 {} 0 0 0 8 {} 8.04004 0.02964 0.06770 ++ {0.0} {} {} 55.72654 1.01098 1.79800 ++ {0.0} {} {} 127.25377 0.47423 1.47852 ++ {0.0} {} 29.6762275696 1.4275 0 {} 0 0 0 9 {} 8.03390 0.02769 0.04508 ++ {0.0} {} {} 36.19504 0.82028 1.59989 ++ {0.0} {} {} 127.05419 0.70961 1.29400 ++ {0.0} {} 4.03015518188 0.3020 0 {} 0 0 0 10 {} 8.04056 0.02909 0.07001 ++ {0.0} {} {} 31.31109 0.76911 1.09873 ++ {0.0} {} {} 127.26045 0.47130 1.53172 ++ {0.0} {} 58.5543365479 2.7492 0 {} 0 0 0 11 {} 7.97688 0.02819 0.03442 ++ {0.0} {} {} 33.76745 0.72359 0.91507 ++ {0.0} {} {} 125.77760 0.46788 0.59169 ++ {0.0} {} 1.39619374275 0.0948 0 {} 0 0 0 12 {} 7.85361 0.03843 0.05203 ++ {0.0} {} {} 45.63586 0.94444 1.49766 ++ {0.0} {} {} 124.56918 0.66787 1.08238 ++ {0.0} {} 3.17288446426 0.1559 0 {} 0 0 0 13 {} 7.94728 0.02552 0.05022 ++ {0.0} {} {} 45.38217 0.64106 1.56597 ++ {0.0} {} {} 124.59537 0.63247 1.32898 ++ {0.0} {} 10.4560985565 0.5312 0 {} 0 0 0 14 {} 8.47885 0.04128 0.03757 ++ {0.0} {} {} 50.64940 0.95981 0.81980 ++ {0.0} {} {} 124.17870 0.72212 0.61679 ++ {0.0} {} 1.27443897724 0.0609 0 {} 0 0 0 15 {} 8.47193 0.03999 0.04824 ++ {0.0} {} {} 27.47775 0.72962 0.96691 ++ {0.0} {} {} 124.21883 0.70824 0.94571 ++ {0.0} {} 2.66867423058 0.1034 0 {} 0 0 0 16 {} 8.15978 0.03957 0.08248 ++ {0.0} {} {} 58.04317 0.59632 1.08785 ++ {0.0} {} {} 123.90076 0.56479 1.26210 ++ {0.0} {} 8.71628952026 0.3969 0 {} 0 0 0 17 {} 8.16133 0.03968 0.12653 ++ {0.0} {} {} 38.73717 0.87812 1.25445 ++ {0.0} {} {} 123.89769 0.58635 1.41839 ++ {0.0} {} 69.1116638184 2.4788 0 {} 0 0 0 18 {} 8.40030 0.03910 0.09977 ++ {0.0} {} {} 56.03294 0.76110 1.75916 ++ {0.0} {} {} 123.51245 0.61600 1.24690 ++ {0.0} {} 9.7778377533 0.3864 0 {} 0 0 0 19 {} 8.40031 0.04010 0.09385 ++ {0.0} {} {} 42.11992 0.99197 1.90648 ++ {0.0} {} {} 123.52484 0.58959 1.29925 ++ {0.0} {} 15.704536438 0.6138 0 {} 0 0 0 20 {} 8.15673 0.06254 0.21682 ++ {0.0} {} {} 30.68511 1.02113 1.45876 ++ {0.0} {} {} 123.39011 0.47856 1.19790 ++ {0.0} {} 42.4553833008 0.9441 0 {} 0 0 0 21 {} 8.40085 0.04261 0.12062 ++ {0.0} {} {} 29.10803 0.86667 1.92344 ++ {0.0} {} {} 123.52325 0.60103 1.35960 ++ {0.0} {} 35.5530853271 1.0641 0 {} 0 0 0 22 {} 8.40114 0.04130 0.09130 ++ {0.0} {} {} 24.61347 1.00878 1.95979 ++ {0.0} {} {} 123.52714 0.58804 1.30248 ++ {0.0} {} 16.8042201996 0.6207 0 {} 0 0 0 23 {} 8.42606 0.03523 0.09082 ++ {0.0} {} {} 62.57737 1.02085 1.45836 ++ {0.0} {} {} 123.08867 0.61874 1.33841 ++ {0.0} {} 25.4933128357 0.9984 0 {} 0 0 0 24 {} 8.53366 0.04094 0.01893 ++ {0.0} {} {} 43.35036 0.68714 0.23632 ++ {0.0} {} {} 123.04504 0.55975 0.19251 ++ {0.0} {} 0.283296078444 0.0421 0 {} 0 0 0 25 {} 8.42599 0.03540 0.10823 ++ {0.0} {} {} 32.65072 0.94272 1.49870 ++ {0.0} {} {} 123.09488 0.65342 1.52355 ++ {0.0} {} 80.2809066772 2.9279 0 {} 0 0 0 26 {} 8.36526 0.04299 0.14458 ++ {0.0} {} {} 31.12471 1.02511 1.75929 ++ {0.0} {} {} 123.21220 0.53396 1.45140 ++ {0.0} {} 76.8628158569 1.6085 0 {} 0 0 0 27 {} 8.42655 0.03502 0.09572 ++ {0.0} {} {} 20.30700 0.57874 1.81888 ++ {0.0} {} {} 123.08732 0.62452 1.43720 ++ {0.0} {} 58.5962562561 1.4770 0 {} 0 0 0 28 {} 8.42720 0.02353 0.00598 ++ {0.0} {} {} 15.76502 0.76581 0.34349 ++ {0.0} {} {} 123.12027 0.76752 0.16336 ++ {0.0} {} 0.140506386757 0.0390 0 {} 0 0 0 29 {} 8.15149 0.02999 0.07425 ++ {0.0} {} {} 56.62354 0.94250 1.94122 ++ {0.0} {} {} 122.70146 0.54400 1.37617 ++ {0.0} {} 37.2190208435 2.0903 0 {} 0 0 0 30 {} 8.56368 0.03614 0.02471 ++ {0.0} {} {} 36.28968 0.76232 0.41953 ++ {0.0} {} {} 122.71357 0.63479 0.34935 ++ {0.0} {} 0.513257205486 0.0481 0 {} 0 0 0 31 {} 8.31500 0.02215 0.02653 ++ {0.0} {} {} 36.21841 0.80322 0.99896 ++ {0.0} {} {} 122.90978 0.43461 0.54052 ++ {0.0} {} 1.16988921165 0.0922 0 {} 0 0 0 32 {} 8.15163 0.02945 0.08191 ++ {0.0} {} {} 36.25239 0.80157 1.14510 ++ {0.0} {} {} 122.70538 0.55897 1.45071 ++ {0.0} {} 119.002410889 5.8714 0 {} 0 0 0 33 {} 8.58741 0.04036 0.04537 ++ {0.0} {} {} 33.74851 0.83764 0.95933 ++ {0.0} {} {} 122.65597 0.52503 0.60131 ++ {0.0} {} 1.70448243618 0.0816 0 {} 0 0 0 34 {} 8.14771 0.02863 0.01323 ++ {0.0} {} {} 76.98165 0.90288 0.44883 ++ {0.0} {} {} 122.43404 0.80169 0.39783 ++ {0.0} {} 0.3261269629 0.0464 0 {} 0 0 0 35 {} 7.72728 0.02672 0.00941 ++ {0.0} {} {} 54.26361 0.76522 0.23030 ++ {0.0} {} {} 122.27356 0.47886 0.14412 ++ {0.0} {} 0.151089981198 0.0411 0 {} 0 0 0 36 {} 8.22861 0.04335 0.06193 ++ {0.0} {} {} 41.23195 1.03634 1.41942 ++ {0.0} {} {} 122.32983 0.59053 0.76560 ++ {0.0} {} 3.93049430847 0.0991 0 {} 0 0 0 37 {} 7.97488 0.03530 0.07305 ++ {0.0} {} {} 59.19644 0.88506 1.77877 ++ {0.0} {} {} 122.03977 0.66079 1.28899 ++ {0.0} {} 8.79941940308 0.3931 0 {} 0 0 0 38 {} 8.70465 0.04049 0.08235 ++ {0.0} {} {} 56.46742 0.74965 1.75822 ++ {0.0} {} {} 122.07693 0.61532 1.23158 ++ {0.0} {} 8.95422267914 0.2951 0 {} 0 0 0 39 {} 8.25315 0.03857 0.02942 ++ {0.0} {} {} 56.72424 0.94947 0.57828 ++ {0.0} {} {} 122.09377 0.99050 0.65917 ++ {0.0} {} 0.8976303339 0.0501 0 {} 0 0 0 40 {} 8.13458 0.03790 0.12713 ++ {0.0} {} {} 54.30779 0.64513 1.84931 ++ {0.0} {} {} 122.20110 0.79462 2.11035 ++ {0.0} {} 213.394241333 5.9213 0 {} 0 0 0 41 {} 8.70544 0.03707 0.12353 ++ {0.0} {} {} 43.31146 0.79172 2.04958 ++ {0.0} {} {} 122.07171 0.62273 1.36789 ++ {0.0} {} 40.4319839478 1.3196 0 {} 0 0 0 42 {} 8.13366 0.04460 0.13793 ++ {0.0} {} {} 41.13549 1.20403 1.72004 ++ {0.0} {} {} 122.18931 0.80811 2.07687 ++ {0.0} {} 173.146575928 3.9766 0 {} 0 0 0 43 {} 7.97484 0.03467 0.08907 ++ {0.0} {} {} 36.65644 0.93813 1.89064 ++ {0.0} {} {} 122.03800 0.63821 1.32616 ++ {0.0} {} 18.9753704071 0.8768 0 {} 0 0 0 44 {} 8.25309 0.04158 0.05801 ++ {0.0} {} {} 36.23452 0.82114 1.40600 ++ {0.0} {} {} 121.99507 0.83160 1.18800 ++ {0.0} {} 7.65221595764 0.1437 0 {} 0 0 0 45 {} 8.70532 0.03680 0.09432 ++ {0.0} {} {} 30.92362 0.68609 1.74286 ++ {0.0} {} {} 122.07084 0.62008 1.30674 ++ {0.0} {} 17.2540035248 0.5849 0 {} 0 0 0 46 {} 8.09173 0.03660 0.10178 ++ {0.0} {} {} 29.70873 0.93971 1.95407 ++ {0.0} {} {} 122.11726 0.54073 1.35599 ++ {0.0} {} 18.7264347076 0.8478 0 {} 0 0 0 47 {} 8.70525 0.03894 0.10559 ++ {0.0} {} {} 27.17336 0.87646 1.80907 ++ {0.0} {} {} 122.07503 0.62121 1.35404 ++ {0.0} {} 20.3197841644 0.8465 0 {} 0 0 0 48 {} 8.01377 0.03170 0.03594 ++ {0.0} {} {} 24.91840 0.62924 0.75972 ++ {0.0} {} {} 122.07448 0.72981 0.90230 ++ {0.0} {} 1.4840849638 0.0880 0 {} 0 0 0 49 {} 8.54048 0.03497 0.08570 ++ {0.0} {} {} 55.65067 0.97000 1.90252 ++ {0.0} {} {} 121.51332 0.47552 1.23922 ++ {0.0} {} 16.4600696564 0.5781 0 {} 0 0 0 50 {} 8.11152 0.02712 0.08505 ++ {0.0} {} {} 54.58065 0.74121 1.86502 ++ {0.0} {} {} 121.71579 0.63898 1.54431 ++ {0.0} {} 198.485610962 5.4991 0 {} 0 0 0 51 {} 8.11127 0.02837 0.08686 ++ {0.0} {} {} 41.16719 1.20292 1.71846 ++ {0.0} {} {} 121.72731 0.63295 1.51677 ++ {0.0} {} 162.665603638 3.3061 0 {} 0 0 0 52 {} 8.07157 0.03137 0.05605 ++ {0.0} {} {} 36.27844 0.77829 1.86775 ++ {0.0} {} {} 121.58424 0.49208 1.12446 ++ {0.0} {} 9.92663764954 0.4969 0 {} 0 0 0 53 {} 8.54115 0.03353 0.15906 ++ {0.0} {} {} 33.99659 0.69780 1.78044 ++ {0.0} {} {} 121.51173 0.46350 1.33690 ++ {0.0} {} 42.0174560547 1.2170 0 {} 0 0 0 54 {} 8.23652 0.07466 0.15441 ++ {0.0} {} {} 62.04982 0.82053 1.56495 ++ {0.0} {} {} 121.44412 0.50905 0.91363 ++ {0.0} {} 10.759390831 0.1870 0 {} 0 0 0 55 {} 8.16911 0.01578 0.02254 ++ {0.0} {} {} 62.04112 0.88230 0.49324 ++ {0.0} {} {} 121.43495 0.54084 0.30235 ++ {0.0} {} 0.705405652523 0.0484 0 {} 0 0 0 56 {} 8.33914 0.03733 0.09157 ++ {0.0} {} {} 59.11995 0.98097 1.87768 ++ {0.0} {} {} 121.32052 0.65865 1.32713 ++ {0.0} {} 22.3682613373 0.6036 0 {} 0 0 0 57 {} 8.23424 0.03812 0.03328 ++ {0.0} {} {} 59.07952 0.86030 0.20166 ++ {0.0} {} {} 121.35089 0.83073 0.19637 ++ {0.0} {} 0.208794608712 0.0395 0 {} 0 0 0 58 {} 8.21272 0.02844 0.02035 ++ {0.0} {} {} 45.18386 1.12531 0.69584 ++ {0.0} {} {} 121.34904 0.19478 0.12026 ++ {0.0} {} 0.381932526827 0.0504 0 {} 0 0 0 59 {} 8.34027 0.03759 0.31426 ++ {0.0} {} {} 33.70795 0.97580 1.95792 ++ {0.0} {} {} 121.31277 0.65897 1.47355 ++ {0.0} {} 71.6883926392 1.5014 0 {} 0 0 0 60 {} 8.23772 0.04734 0.06763 ++ {0.0} {} {} 33.71290 0.94531 1.34934 ++ {0.0} {} {} 121.20791 0.52458 0.70432 ++ {0.0} {} 4.2324962616 0.1061 0 {} 0 0 0 61 {} 8.24058 0.05513 0.07567 ++ {0.0} {} {} 21.53954 0.81357 1.13457 ++ {0.0} {} {} 121.47887 0.47539 0.65314 ++ {0.0} {} 3.53013014793 0.1114 0 {} 0 0 0 62 {} 7.99703 0.03599 0.13487 ++ {0.0} {} {} 61.79274 0.72874 1.90693 ++ {0.0} {} {} 120.80849 0.46448 1.26469 ++ {0.0} {} 34.9251861572 1.1715 0 {} 0 0 0 63 {} 8.14635 0.03595 0.08416 ++ {0.0} {} {} 59.21235 1.00574 1.77379 ++ {0.0} {} {} 121.09747 0.61611 1.47178 ++ {0.0} {} 27.9221858978 0.7365 0 {} 0 0 0 64 {} 8.21301 0.03040 0.06253 ++ {0.0} {} {} 57.25716 0.64739 1.30000 ++ {0.0} {} {} 120.87281 0.53697 1.23475 ++ {0.0} {} 7.11283349991 0.3288 0 {} 0 0 0 65 {} 8.06744 0.04890 0.20788 ++ {0.0} {} {} 53.09959 0.76332 1.76378 ++ {0.0} {} {} 120.78619 0.44807 1.19108 ++ {0.0} {} 46.9476242065 1.0921 0 {} 0 0 0 66 {} 8.06679 0.04598 0.10863 ++ {0.0} {} {} 38.70321 1.35028 1.92897 ++ {0.0} {} {} 120.78888 0.43806 0.86219 ++ {0.0} {} 18.3509922028 0.4315 0 {} 0 0 0 67 {} 8.21282 0.03139 0.08388 ++ {0.0} {} {} 37.32210 0.77437 2.01085 ++ {0.0} {} {} 120.88284 0.53486 1.35298 ++ {0.0} {} 23.1273174286 0.7780 0 {} 0 0 0 68 {} 8.37098 0.02765 0.07173 ++ {0.0} {} {} 35.24654 0.84768 1.21097 ++ {0.0} {} {} 120.99240 0.62489 1.36942 ++ {0.0} {} 28.1203651428 1.2444 0 {} 0 0 0 69 {} 8.14634 0.03380 0.12775 ++ {0.0} {} {} 33.67436 0.95659 1.38145 ++ {0.0} {} {} 120.98567 0.68331 1.40763 ++ {0.0} {} 64.4044189453 2.1250 0 {} 0 0 0 70 {} 8.63717 0.03525 0.06172 ++ {0.0} {} {} 64.81064 0.76975 1.50550 ++ {0.0} {} {} 120.71579 0.50296 0.91293 ++ {0.0} {} 5.72269916534 0.2008 0 {} 0 0 0 71 {} 8.07645 0.02832 0.07012 ++ {0.0} {} {} 58.09810 0.88294 1.87371 ++ {0.0} {} {} 120.62250 0.65641 1.32439 ++ {0.0} {} 12.3566970825 0.6111 0 {} 0 0 0 72 {} 8.28167 0.02755 0.06894 ++ {0.0} {} {} 55.58139 0.76209 1.08870 ++ {0.0} {} {} 120.55968 0.61050 1.39326 ++ {0.0} {} 26.8302078247 1.5004 0 {} 0 0 0 73 {} 8.63698 0.03306 0.05418 ++ {0.0} {} {} 50.64598 1.05199 1.62430 ++ {0.0} {} {} 120.72401 0.51547 0.84817 ++ {0.0} {} 4.20048427582 0.1624 0 {} 0 0 0 74 {} 8.32062 0.03193 0.06202 ++ {0.0} {} {} 43.96863 0.73061 1.76238 ++ {0.0} {} {} 120.59392 0.64282 1.29732 ++ {0.0} {} 12.1600379944 0.5204 0 {} 0 0 0 75 {} 8.28147 0.02884 0.09406 ++ {0.0} {} {} 42.32434 0.78123 1.11604 ++ {0.0} {} {} 120.56049 0.62403 1.54138 ++ {0.0} {} 57.3800392151 2.2943 0 {} 0 0 0 76 {} 8.07712 0.02746 0.06666 ++ {0.0} {} {} 33.23644 0.85691 1.22416 ++ {0.0} {} {} 120.62853 0.63526 1.35828 ++ {0.0} {} 19.5562953949 0.9554 0 {} 0 0 0 77 {} 8.63787 0.03943 0.07037 ++ {0.0} {} {} 31.86550 0.70955 1.27875 ++ {0.0} {} {} 120.70186 0.51811 0.94299 ++ {0.0} {} 5.97512483597 0.1899 0 {} 0 0 0 78 {} 7.96234 0.03301 0.04534 ++ {0.0} {} {} 30.82690 0.76274 1.02447 ++ {0.0} {} {} 120.77910 0.47508 0.63810 ++ {0.0} {} 2.38366889954 0.1062 0 {} 0 0 0 79 {} 8.32789 0.03552 0.07045 ++ {0.0} {} {} 29.05212 1.00255 1.43222 ++ {0.0} {} {} 120.45736 0.46829 1.17387 ++ {0.0} {} 19.4664039612 0.7004 0 {} 0 0 0 80 {} 8.63803 0.04050 0.08296 ++ {0.0} {} {} 27.70049 0.85309 1.71848 ++ {0.0} {} {} 120.70757 0.52136 1.22331 ++ {0.0} {} 8.63569164276 0.3252 0 {} 0 0 0 81 {} 8.28194 0.02776 0.06730 ++ {0.0} {} {} 27.06983 0.83238 1.87054 ++ {0.0} {} {} 120.54913 0.60940 1.41762 ++ {0.0} {} 19.0728473663 0.8916 0 {} 0 0 0 82 {} 8.28192 0.02765 0.07456 ++ {0.0} {} {} 25.08416 1.00885 1.86445 ++ {0.0} {} {} 120.55781 0.62927 1.45219 ++ {0.0} {} 42.2383460999 1.7764 0 {} 0 0 0 83 {} 8.28130 0.02854 0.07099 ++ {0.0} {} {} 23.34957 0.70370 1.94844 ++ {0.0} {} {} 120.55448 0.62379 1.54690 ++ {0.0} {} 32.0484542847 1.3742 0 {} 0 0 0 84 {} 8.40013 0.03437 0.08889 ++ {0.0} {} {} 59.15768 0.96071 1.87562 ++ {0.0} {} {} 120.20175 0.59438 1.31544 ++ {0.0} {} 18.5007762909 0.7089 0 {} 0 0 0 85 {} 8.29006 0.03495 0.11304 ++ {0.0} {} {} 57.15529 0.93853 1.34075 ++ {0.0} {} {} 120.23534 0.65748 1.38166 ++ {0.0} {} 42.9871482849 1.9154 0 {} 0 0 0 86 {} 8.59194 0.02438 0.00212 ++ {0.0} {} {} 54.58651 0.79072 0.04786 ++ {0.0} {} {} 120.21413 0.60647 0.03671 ++ {0.0} {} 0.0359625555575 0.0360 0 {} 0 0 0 87 {} 8.18222 0.03321 0.15767 ++ {0.0} {} {} 54.57609 0.73323 1.86135 ++ {0.0} {} {} 120.21069 0.61794 1.46313 ++ {0.0} {} 80.8096313477 4.1962 0 {} 0 0 0 88 {} 7.88794 0.03245 0.06598 ++ {0.0} {} {} 54.37884 0.60757 1.33403 ++ {0.0} {} {} 120.08344 0.45686 1.05738 ++ {0.0} {} 11.9503507614 0.5337 0 {} 0 0 0 89 {} 8.18174 0.03351 0.13455 ++ {0.0} {} {} 41.18356 1.15436 1.64909 ++ {0.0} {} {} 120.20860 0.62084 1.46804 ++ {0.0} {} 81.7804107666 3.2558 0 {} 0 0 0 90 {} 7.88689 0.03394 0.06070 ++ {0.0} {} {} 41.21725 1.22284 1.98176 ++ {0.0} {} {} 120.06466 0.44858 0.86113 ++ {0.0} {} 12.5716953278 0.3415 0 {} 0 0 0 91 {} 8.29039 0.03442 0.11619 ++ {0.0} {} {} 36.30060 0.75252 1.07503 ++ {0.0} {} {} 120.23485 0.64877 1.38823 ++ {0.0} {} 103.045692444 4.6108 0 {} 0 0 0 92 {} 8.40066 0.03525 0.20684 ++ {0.0} {} {} 34.04996 0.76476 1.81000 ++ {0.0} {} {} 120.19571 0.58642 1.45952 ++ {0.0} {} 71.4880905151 1.5542 0 {} 0 0 0 93 {} 8.40051 0.04596 0.09977 ++ {0.0} {} {} 63.28293 0.74121 1.59680 ++ {0.0} {} {} 119.99260 0.50244 1.10618 ++ {0.0} {} 9.84757328033 0.3015 0 {} 0 0 0 94 {} 8.39984 0.04600 0.11113 ++ {0.0} {} {} 50.57747 0.89564 1.85589 ++ {0.0} {} {} 119.99458 0.50271 1.18925 ++ {0.0} {} 13.1642112732 0.3795 0 {} 0 0 0 95 {} 8.40021 0.04788 0.13771 ++ {0.0} {} {} 32.06746 0.85026 1.21466 ++ {0.0} {} {} 120.00871 0.48442 1.16776 ++ {0.0} {} 20.2314281464 0.4680 0 {} 0 0 0 96 {} 8.39983 0.04685 0.13194 ++ {0.0} {} {} 27.31442 0.67872 1.66127 ++ {0.0} {} {} 119.99129 0.50956 1.31489 ++ {0.0} {} 20.4902038574 0.5786 0 {} 0 0 0 97 {} 8.38828 0.03927 0.04134 ++ {0.0} {} {} 60.92133 0.50031 0.53976 ++ {0.0} {} {} 119.65065 0.49910 0.53845 ++ {0.0} {} 1.41741359234 0.0757 0 {} 0 0 0 98 {} 8.06651 0.06051 0.20295 ++ {0.0} {} {} 45.59196 0.81927 1.86523 ++ {0.0} {} {} 119.38427 0.47873 1.31080 ++ {0.0} {} 45.1793518066 0.9000 0 {} 0 0 0 99 {} 7.87288 0.04050 0.03904 ++ {0.0} {} {} 39.00353 0.72279 0.68183 ++ {0.0} {} {} 119.40568 0.53559 0.50524 ++ {0.0} {} 1.01531970501 0.0660 0 {} 0 0 0 100 {} 8.38529 0.03478 0.08996 ++ {0.0} {} {} 38.61184 0.98071 1.70777 ++ {0.0} {} {} 119.64311 0.50672 1.52059 ++ {0.0} {} 45.7861862183 1.9128 0 {} 0 0 0 101 {} 8.02549 0.01354 0.01500 ++ {0.0} {} {} 59.15809 1.30254 0.49406 ++ {0.0} {} {} 119.16917 0.67357 0.25247 ++ {0.0} {} 0.187144637108 0.0429 0 {} 0 0 0 102 {} 7.91775 0.04612 0.13053 ++ {0.0} {} {} 59.18516 1.06323 1.51890 ++ {0.0} {} {} 119.22260 0.56576 1.32829 ++ {0.0} {} 30.1828193665 0.8258 0 {} 0 0 0 103 {} 7.76855 0.03481 0.07525 ++ {0.0} {} {} 59.07973 0.87137 1.85704 ++ {0.0} {} {} 119.21330 0.58301 1.30486 ++ {0.0} {} 11.313996315 0.4744 0 {} 0 0 0 104 {} 8.55169 0.04451 0.09531 ++ {0.0} {} {} 58.75261 0.77394 1.71439 ++ {0.0} {} {} 119.25966 0.50403 1.16870 ++ {0.0} {} 10.8115081787 0.3656 0 {} 0 0 0 105 {} 8.20628 0.03317 0.06948 ++ {0.0} {} {} 58.20894 0.87933 1.70203 ++ {0.0} {} {} 119.10216 0.56472 1.28962 ++ {0.0} {} 11.0903625488 0.4291 0 {} 0 0 0 106 {} 7.76820 0.03219 0.07239 ++ {0.0} {} {} 43.53633 0.79617 1.85785 ++ {0.0} {} {} 119.21887 0.58226 1.36067 ++ {0.0} {} 17.7568454742 0.7066 0 {} 0 0 0 107 {} 7.88943 0.03130 0.08885 ++ {0.0} {} {} 43.36520 0.75641 1.08058 ++ {0.0} {} {} 119.20829 0.59223 1.38251 ++ {0.0} {} 28.5729637146 1.2016 0 {} 0 0 0 108 {} 7.92133 0.03362 0.11466 ++ {0.0} {} {} 41.65977 0.96670 1.94716 ++ {0.0} {} {} 119.15207 0.64955 1.35682 ++ {0.0} {} 29.6647624969 1.0773 0 {} 0 0 0 109 {} 8.20726 0.03256 0.13513 ++ {0.0} {} {} 36.58830 0.81391 1.70404 ++ {0.0} {} {} 119.10878 0.56304 1.34283 ++ {0.0} {} 32.9687919617 1.2337 0 {} 0 0 0 110 {} 8.02049 0.02068 0.03363 ++ {0.0} {} {} 36.65672 0.97535 0.75271 ++ {0.0} {} {} 119.29638 0.52836 0.40775 ++ {0.0} {} 1.03866422176 0.0568 0 {} 0 0 0 111 {} 7.91988 0.02991 0.10411 ++ {0.0} {} {} 36.63368 0.92017 1.89197 ++ {0.0} {} {} 119.22607 0.55754 1.39120 ++ {0.0} {} 41.1816215515 1.9171 0 {} 0 0 0 112 {} 7.92114 0.03214 0.04383 ++ {0.0} {} {} 34.76502 0.97466 1.40520 ++ {0.0} {} {} 119.16669 0.64889 0.88313 ++ {0.0} {} 2.61480808258 0.1078 0 {} 0 0 0 113 {} 8.55277 0.04261 0.12483 ++ {0.0} {} {} 33.87846 0.70440 2.06717 ++ {0.0} {} {} 119.26457 0.50839 1.38983 ++ {0.0} {} 34.1918106079 1.0323 0 {} 0 0 0 114 {} 7.76951 0.03640 0.06698 ++ {0.0} {} {} 32.55661 0.74445 1.52085 ++ {0.0} {} {} 119.19910 0.59092 1.15503 ++ {0.0} {} 5.51019763947 0.2505 0 {} 0 0 0 115 {} 7.88899 0.03010 0.05766 ++ {0.0} {} {} 29.93443 0.67556 1.73871 ++ {0.0} {} {} 119.22131 0.55525 1.29208 ++ {0.0} {} 11.4606981277 0.5700 0 {} 0 0 0 116 {} 7.77012 0.03809 0.09115 ++ {0.0} {} {} 29.77002 0.92385 1.98034 ++ {0.0} {} {} 119.19927 0.60763 1.32297 ++ {0.0} {} 17.0004024506 0.6061 0 {} 0 0 0 117 {} 7.89029 0.03354 0.07613 ++ {0.0} {} {} 27.60855 0.81933 1.81217 ++ {0.0} {} {} 119.21323 0.57517 1.34950 ++ {0.0} {} 21.1938228607 0.8685 0 {} 0 0 0 118 {} 7.76789 0.03310 0.06790 ++ {0.0} {} {} 27.31795 0.66969 0.95671 ++ {0.0} {} {} 119.22678 0.56576 1.31259 ++ {0.0} {} 9.78959941864 0.4390 0 {} 0 0 0 119 {} 7.76915 0.03400 0.06757 ++ {0.0} {} {} 25.38354 0.77667 1.55745 ++ {0.0} {} {} 119.19664 0.61924 1.16019 ++ {0.0} {} 5.86328077316 0.2138 0 {} 0 0 0 120 {} 7.92151 0.03336 0.09696 ++ {0.0} {} {} 24.19436 1.01113 1.78804 ++ {0.0} {} {} 119.15131 0.65615 1.36852 ++ {0.0} {} 28.1363887787 1.3203 0 {} 0 0 0 121 {} 8.36502 0.04519 0.07343 ++ {0.0} {} {} 19.18497 0.98651 1.82169 ++ {0.0} {} {} 119.19022 0.66632 1.28496 ++ {0.0} {} 9.78533554077 0.3345 0 {} 0 0 0 122 {} 9.29200 0.03768 0.00268 ++ {0.0} {} {} 45.12023 0.95326 0.05408 ++ {0.0} {} {} 118.82585 0.62907 0.03569 ++ {0.0} {} 0.0358922407031 0.0359 0 {} 0 0 0 123 {} 8.92292 0.02409 0.01494 ++ {0.0} {} {} 45.17715 1.02029 0.57323 ++ {0.0} {} {} 118.81597 0.70759 0.39686 ++ {0.0} {} 0.504977345467 0.0484 0 {} 0 0 0 124 {} 8.77181 0.03304 0.02644 ++ {0.0} {} {} 45.13071 1.01008 0.76521 ++ {0.0} {} {} 118.84235 0.60294 0.45486 ++ {0.0} {} 0.869349062443 0.0560 0 {} 0 0 0 125 {} 8.62816 0.04964 0.08082 ++ {0.0} {} {} 45.15268 0.91072 1.40387 ++ {0.0} {} {} 118.82124 0.64370 0.99142 ++ {0.0} {} 4.00676584244 0.1359 0 {} 0 0 0 126 {} 8.44463 0.05787 0.08266 ++ {0.0} {} {} 45.14368 0.91579 1.07725 ++ {0.0} {} {} 118.87420 0.52732 0.61712 ++ {0.0} {} 3.34294724464 0.0841 0 {} 0 0 0 127 {} 8.21870 0.03921 0.30189 ++ {0.0} {} {} 45.16693 0.89207 1.95774 ++ {0.0} {} {} 118.79933 0.65433 1.40508 ++ {0.0} {} 333.805786133 12.0446 0 {} 0 0 0 128 {} 7.81114 0.02223 0.01819 ++ {0.0} {} {} 45.15532 0.99067 0.76853 ++ {0.0} {} {} 118.82801 0.58139 0.45103 ++ {0.0} {} 0.669639289379 0.0570 0 {} 0 0 0 129 {} 8.20287 0.04416 0.07213 ++ {0.0} {} {} 42.03513 1.01775 1.54886 ++ {0.0} {} {} 118.75504 0.62057 1.12505 ++ {0.0} {} 6.07741451263 0.1824 0 {} 0 0 0 130 {} 7.95050 0.03422 0.08285 ++ {0.0} {} {} 38.97737 0.70371 1.77605 ++ {0.0} {} {} 118.93462 0.48432 1.39971 ++ {0.0} {} 29.5143718719 1.1832 0 {} 0 0 0 131 {} 8.20289 0.04296 0.07375 ++ {0.0} {} {} 32.10160 0.91001 1.58731 ++ {0.0} {} {} 118.74207 0.64654 1.16760 ++ {0.0} {} 5.39976072311 0.1799 0 {} 0 0 0 132 {} 8.20116 0.04598 0.08965 ++ {0.0} {} {} 29.17977 1.01835 1.76946 ++ {0.0} {} {} 118.74459 0.56248 1.17269 ++ {0.0} {} 8.21437168121 0.2822 0 {} 0 0 0 133 {} 8.20121 0.03578 0.06280 ++ {0.0} {} {} 24.86797 0.69675 1.03246 ++ {0.0} {} {} 118.73766 0.60279 0.97112 ++ {0.0} {} 3.41733622551 0.1346 0 {} 0 0 0 134 {} 8.61547 0.02822 0.01613 ++ {0.0} {} {} 18.76618 0.81207 0.41178 ++ {0.0} {} {} 118.72250 0.60842 0.30852 ++ {0.0} {} 0.3871730268 0.0467 0 {} 0 0 0 135 {} 8.35053 0.03555 0.02151 ++ {0.0} {} {} 34.17435 1.16270 0.46599 ++ {0.0} {} {} 118.49164 0.63035 0.23964 ++ {0.0} {} 0.257383346558 0.0431 0 {} 0 0 0 136 {} 7.50711 0.03598 0.07189 ++ {0.0} {} {} 30.44421 0.69606 1.70295 ++ {0.0} {} {} 118.26588 0.45458 1.02073 ++ {0.0} {} 12.6958217621 0.4361 0 {} 0 0 0 137 {} 8.01850 0.03308 0.06241 ++ {0.0} {} {} 61.06947 0.86544 1.75574 ++ {0.0} {} {} 118.19454 0.51416 1.06880 ++ {0.0} {} 5.80953550339 0.2478 0 {} 0 0 0 138 {} 7.50747 0.03461 0.05864 ++ {0.0} {} {} 56.40803 0.69771 1.53037 ++ {0.0} {} {} 118.25635 0.47357 0.98858 ++ {0.0} {} 7.68947458267 0.2759 0 {} 0 0 0 139 {} 7.50788 0.03448 0.08479 ++ {0.0} {} {} 43.41446 0.68745 1.82226 ++ {0.0} {} {} 118.25703 0.47310 1.42192 ++ {0.0} {} 35.4594917297 1.1257 0 {} 0 0 0 140 {} 8.01887 0.03427 0.06531 ++ {0.0} {} {} 42.28616 0.77663 1.64853 ++ {0.0} {} {} 118.20127 0.49614 1.03795 ++ {0.0} {} 6.97883176804 0.2637 0 {} 0 0 0 141 {} 8.01943 0.03496 0.06289 ++ {0.0} {} {} 32.67500 0.99551 1.82647 ++ {0.0} {} {} 118.20156 0.49499 1.08822 ++ {0.0} {} 8.80320167542 0.3240 0 {} 0 0 0 142 {} 8.02034 0.03396 0.06841 ++ {0.0} {} {} 29.94615 0.69089 1.65322 ++ {0.0} {} {} 118.18668 0.52098 1.23661 ++ {0.0} {} 10.5382099152 0.4008 0 {} 0 0 0 143 {} 7.50828 0.03396 0.07090 ++ {0.0} {} {} 27.30719 0.67702 1.73871 ++ {0.0} {} {} 118.26043 0.46264 1.21097 ++ {0.0} {} 14.2529716492 0.5745 0 {} 0 0 0 144 {} 8.01915 0.03258 0.05850 ++ {0.0} {} {} 25.34820 0.77444 1.65241 ++ {0.0} {} {} 118.19601 0.50318 1.01201 ++ {0.0} {} 6.15866470337 0.2410 0 {} 0 0 0 145 {} 8.23428 0.03340 0.08992 ++ {0.0} {} {} 18.42892 0.61106 1.43886 ++ {0.0} {} {} 118.11756 0.60974 1.36930 ++ {0.0} {} 28.4837703705 1.0481 0 {} 0 0 0 146 {} 8.76594 0.03264 0.04117 ++ {0.0} {} {} 60.89455 0.49042 0.61617 ++ {0.0} {} {} 117.75326 0.59325 0.74536 ++ {0.0} {} 1.72529530525 0.0938 0 {} 0 0 0 147 {} 8.27530 0.02689 0.05459 ++ {0.0} {} {} 59.83866 0.70743 1.68365 ++ {0.0} {} {} 117.75936 0.62877 1.30400 ++ {0.0} {} 8.85482311249 0.3994 0 {} 0 0 0 148 {} 7.92520 0.03137 0.06995 ++ {0.0} {} {} 58.70851 0.98496 1.73379 ++ {0.0} {} {} 117.57422 0.47386 1.23128 ++ {0.0} {} 19.7678756714 0.8585 0 {} 0 0 0 149 {} 8.27542 0.02676 0.06757 ++ {0.0} {} {} 43.63948 0.99566 1.65018 ++ {0.0} {} {} 117.76220 0.59793 1.35970 ++ {0.0} {} 22.2161979675 0.9722 0 {} 0 0 0 150 {} 8.76401 0.03531 0.13120 ++ {0.0} {} {} 36.99349 0.70069 1.71935 ++ {0.0} {} {} 117.76913 0.58589 1.36477 ++ {0.0} {} 26.6870365143 1.0128 0 {} 0 0 0 151 {} 7.92494 0.03096 0.08414 ++ {0.0} {} {} 33.80220 0.74716 1.06737 ++ {0.0} {} {} 117.56853 0.46229 1.31115 ++ {0.0} {} 45.5724182129 1.8920 0 {} 0 0 0 152 {} 8.27526 0.02760 0.05689 ++ {0.0} {} {} 29.66517 0.90772 1.64992 ++ {0.0} {} {} 117.76244 0.59685 1.27913 ++ {0.0} {} 10.0120134354 0.4275 0 {} 0 0 0 153 {} 8.27558 0.02544 0.05414 ++ {0.0} {} {} 28.10880 0.85407 1.22010 ++ {0.0} {} {} 117.76603 0.59203 1.31741 ++ {0.0} {} 11.277841568 0.6289 0 {} 0 0 0 154 {} 7.67489 0.03535 0.08704 ++ {0.0} {} {} 55.62440 0.78812 1.65733 ++ {0.0} {} {} 116.99180 0.64977 1.30204 ++ {0.0} {} 9.83273506165 0.5630 0 {} 0 0 0 155 {} 7.67466 0.03532 0.08782 ++ {0.0} {} {} 35.82595 0.81513 2.06936 ++ {0.0} {} {} 116.99459 0.66194 1.35907 ++ {0.0} {} 21.9992790222 0.8217 0 {} 0 0 0 156 {} 8.22365 0.03189 0.05068 ++ {0.0} {} {} 45.17711 0.98157 1.63832 ++ {0.0} {} {} 116.25451 0.57246 1.53172 ++ {0.0} {} 3.02254319191 0.1756 0 {} 0 0 0 157 {} 8.52000 0.05954 0.10881 ++ {0.0} {} {} 63.53939 0.79181 1.52514 ++ {0.0} {} {} 116.04706 0.50440 0.90290 ++ {0.0} {} 8.12162017822 0.1913 0 {} 0 0 0 158 {} 8.51604 0.06134 0.11579 ++ {0.0} {} {} 50.68209 1.04697 1.76690 ++ {0.0} {} {} 116.04657 0.48482 0.91672 ++ {0.0} {} 10.5300445557 0.2363 0 {} 0 0 0 159 {} 8.51816 0.06129 0.11686 ++ {0.0} {} {} 32.11926 0.92815 1.72363 ++ {0.0} {} {} 116.05795 0.47902 0.95876 ++ {0.0} {} 11.0303192139 0.2657 0 {} 0 0 0 160 {} 8.51790 0.05921 0.13027 ++ {0.0} {} {} 27.40397 0.65536 1.42050 ++ {0.0} {} {} 116.04775 0.46803 0.96073 ++ {0.0} {} 14.8365135193 0.3181 0 {} 0 0 0 161 {} 8.23986 0.05409 0.06891 ++ {0.0} {} {} 58.51458 0.74753 0.92458 ++ {0.0} {} {} 115.46748 0.58903 0.72854 ++ {0.0} {} 3.31468224525 0.0914 0 {} 0 0 0 162 {} 8.11707 0.06873 0.10462 ++ {0.0} {} {} 63.92933 0.74495 1.33200 ++ {0.0} {} {} 115.15663 0.59892 1.06445 ++ {0.0} {} 7.79842996597 0.1628 0 {} 0 0 0 163 {} 8.12166 0.07488 0.25763 ++ {0.0} {} {} 58.60558 0.86627 1.81450 ++ {0.0} {} {} 115.15900 0.59935 1.30316 ++ {0.0} {} 26.9388370514 0.5173 0 {} 0 0 0 164 {} 8.01393 0.02190 0.01715 ++ {0.0} {} {} 58.59937 0.83883 0.41723 ++ {0.0} {} {} 115.15771 0.57859 0.28779 ++ {0.0} {} 0.313155323267 0.0464 0 {} 0 0 0 165 {} 7.92325 0.03228 0.03784 ++ {0.0} {} {} 24.61977 0.92414 1.15173 ++ {0.0} {} {} 115.14112 0.54554 0.67054 ++ {0.0} {} 1.54845511913 0.0905 0 {} 0 0 0 166 {} 7.41482 0.03358 0.09771 ++ {0.0} {} {} 58.13311 0.96639 1.91358 ++ {0.0} {} {} 114.88821 0.57963 1.33286 ++ {0.0} {} 17.122959137 0.7828 0 {} 0 0 0 167 {} 8.22181 0.02955 0.03115 ++ {0.0} {} {} 45.20108 1.12217 1.19357 ++ {0.0} {} {} 114.86642 0.72114 0.75841 ++ {0.0} {} 1.27705025673 0.0735 0 {} 0 0 0 168 {} 7.41572 0.03598 0.12371 ++ {0.0} {} {} 36.06918 0.78328 1.75148 ++ {0.0} {} {} 114.88570 0.58837 1.37823 ++ {0.0} {} 37.2493171692 1.6780 0 {} 0 0 0 169 {} 8.36689 0.04916 0.05164 ++ {0.0} {} {} 24.88123 0.65295 0.72149 ++ {0.0} {} {} 114.76537 0.58599 0.64751 ++ {0.0} {} 2.0424387455 0.0779 0 {} 0 0 0 170 {} 8.05145 0.03217 0.05528 ++ {0.0} {} {} 58.19017 0.82885 1.50353 ++ {0.0} {} {} 114.11723 0.63399 1.16960 ++ {0.0} {} 4.01719474792 0.1913 0 {} 0 0 0 171 {} 8.17950 0.02415 0.01234 ++ {0.0} {} {} 41.14100 1.06507 0.38280 ++ {0.0} {} {} 114.16211 0.62583 0.22599 ++ {0.0} {} 0.0844128727913 0.0426 0 {} 0 0 0 172 {} 8.04856 0.03048 0.07315 ++ {0.0} {} {} 41.12859 0.99869 1.88248 ++ {0.0} {} {} 114.12374 0.66183 1.30503 ++ {0.0} {} 10.6688213348 0.5566 0 {} 0 0 0 173 {} 8.04951 0.02855 0.03759 ++ {0.0} {} {} 26.97058 0.73197 1.02358 ++ {0.0} {} {} 114.12476 0.62600 0.90801 ++ {0.0} {} 2.07430529594 0.1159 0 {} 0 0 0 174 {} 8.04898 0.03051 0.06466 ++ {0.0} {} {} 24.74742 1.15495 1.64992 ++ {0.0} {} {} 114.11021 0.70229 1.30433 ++ {0.0} {} 10.3601026535 0.3590 0 {} 0 0 0 175 {} 8.22177 0.02311 0.01892 ++ {0.0} {} {} 45.14553 1.01890 0.82116 ++ {0.0} {} {} 113.39329 0.56354 0.74463 ++ {0.0} {} 0.798537731171 0.0584 0 {} 0 0 0 176 {} 6.90569 0.03432 0.02907 ++ {0.0} {} {} 55.66906 0.95955 0.82767 ++ {0.0} {} {} 112.40015 0.71198 0.61329 ++ {0.0} {} 1.05922293663 0.0613 0 {} 0 0 0 177 {} 6.89237 0.02242 0.00382 ++ {0.0} {} {} 53.20483 1.04227 0.14935 ++ {0.0} {} {} 112.19843 0.77391 0.11089 ++ {0.0} {} 0.0375654697418 0.0376 0 {} 0 0 0 178 {} 7.55154 0.02780 0.05121 ++ {0.0} {} {} 38.69535 0.81307 1.53773 ++ {0.0} {} {} 112.32071 1.02954 1.57565 ++ {0.0} {} 5.20537948608 0.2187 0 {} 0 0 0 179 {} 6.89500 0.02491 0.04055 ++ {0.0} {} {} 38.72932 0.75429 1.41826 ++ {0.0} {} {} 112.21129 0.88759 1.39126 ++ {0.0} {} 4.80696153641 0.1994 0 {} 0 0 0 180 {} 7.64785 0.02111 0.02585 ++ {0.0} {} {} 59.01001 0.70462 0.86774 ++ {0.0} {} {} 112.03230 0.84125 1.03024 ++ {0.0} {} 1.68382120132 0.0908 0 {} 0 0 0 181 {} 7.36730 0.02434 0.02794 ++ {0.0} {} {} 59.16268 1.00577 1.13664 ++ {0.0} {} {} 111.89964 0.99683 1.10056 ++ {0.0} {} 1.50654017925 0.0801 0 {} 0 0 0 182 {} 7.50109 0.02572 0.03787 ++ {0.0} {} {} 56.05473 0.81669 1.48181 ++ {0.0} {} {} 111.87592 1.12357 1.75956 ++ {0.0} {} 4.87424707413 0.1683 0 {} 0 0 0 183 {} 7.64772 0.02112 0.03310 ++ {0.0} {} {} 34.52818 0.73747 1.15213 ++ {0.0} {} {} 112.05565 0.88191 1.32077 ++ {0.0} {} 3.14308404922 0.1465 0 {} 0 0 0 184 {} 7.50223 0.04464 0.07651 ++ {0.0} {} {} 33.75600 0.77536 1.73597 ++ {0.0} {} {} 111.79210 1.06253 2.52775 ++ {0.0} {} 20.4216003418 0.3300 0 {} 0 0 0 185 {} 7.36629 0.02236 0.02899 ++ {0.0} {} {} 33.65624 0.95996 1.38964 ++ {0.0} {} {} 111.93507 0.97483 1.25776 ++ {0.0} {} 2.52826523781 0.1218 0 {} 0 0 0 186 {} 7.51335 0.03371 0.04816 ++ {0.0} {} {} 58.70680 0.91654 1.42716 ++ {0.0} {} {} 111.63433 0.97693 1.28424 ++ {0.0} {} 4.84255695343 0.1262 0 {} 0 0 0 187 {} 7.48205 0.00952 0.02939 ++ {0.0} {} {} 58.72044 0.90281 1.43651 ++ {0.0} {} {} 111.59653 1.08387 1.46367 ++ {0.0} {} 3.20226264 0.1327 0 {} 0 0 0 188 {} 6.89632 0.04704 0.06950 ++ {0.0} {} {} 58.82024 0.79311 1.51851 ++ {0.0} {} {} 111.63749 1.05745 1.71430 ++ {0.0} {} 9.87354183197 0.1914 0 {} 0 0 0 189 {} 6.85426 0.02369 0.03311 ++ {0.0} {} {} 56.09404 0.85039 1.37677 ++ {0.0} {} {} 111.66354 0.82302 1.25141 ++ {0.0} {} 3.05876421928 0.1350 0 {} 0 0 0 190 {} 6.90364 0.04004 0.09068 ++ {0.0} {} {} 33.76614 0.80841 1.81148 ++ {0.0} {} {} 111.61659 1.30051 2.50466 ++ {0.0} {} 23.3056926727 0.3196 0 {} 0 0 0 191 {} 8.67441 0.10981 0.12334 ++ {0.0} {} {} 45.02838 0.73748 0.88949 ++ {0.0} {} {} 110.88833 0.67738 0.82338 ++ {0.0} {} 4.58983469009 0.0879 0 {} 0 0 0 192 {} 8.41097 0.03768 0.08134 ++ {0.0} {} {} 57.04061 0.75679 1.78597 ++ {0.0} {} {} 110.43742 0.51521 1.22365 ++ {0.0} {} 11.6564512253 0.4635 0 {} 0 0 0 193 {} 8.41072 0.04092 0.14106 ++ {0.0} {} {} 36.15870 0.93960 1.44563 ++ {0.0} {} {} 110.43562 0.51905 1.39533 ++ {0.0} {} 53.6136131287 1.8440 0 {} 0 0 0 194 {} 7.16263 0.02377 0.02833 ++ {0.0} {} {} 59.10851 0.95283 1.15812 ++ {0.0} {} {} 110.06162 1.01300 1.17591 ++ {0.0} {} 1.72298765182 0.0871 0 {} 0 0 0 195 {} 7.16300 0.02347 0.03492 ++ {0.0} {} {} 34.07481 0.81313 1.26124 ++ {0.0} {} {} 110.01864 0.85809 1.26144 ++ {0.0} {} 2.68000817299 0.1299 0 {} 0 0 0 196 {} 6.83466 0.02148 0.02170 ++ {0.0} {} {} 59.09692 0.91730 0.92737 ++ {0.0} {} {} 109.84109 0.81814 0.82726 ++ {0.0} {} 1.0118598938 0.0705 0 {} 0 0 0 197 {} 6.83429 0.02287 0.02914 ++ {0.0} {} {} 34.07628 0.80303 1.08221 ++ {0.0} {} {} 109.90465 0.71233 1.00961 ++ {0.0} {} 2.15375733376 0.1069 0 {} 0 0 0 198 {} 8.30655 0.04532 0.06232 ++ {0.0} {} {} 45.48639 0.75067 1.01147 ++ {0.0} {} {} 108.98320 0.58211 0.78434 ++ {0.0} {} 3.6112101078 0.1069 0 {} 0 0 0 199 {} 8.25795 0.03609 0.05156 ++ {0.0} {} {} 45.53076 0.86173 0.81863 ++ {0.0} {} {} 108.94020 0.54820 0.52079 ++ {0.0} {} 1.80933725834 0.0664 0 {} 0 0 0 200 {} 8.31342 0.02387 0.02584 ++ {0.0} {} {} 47.78798 0.63999 0.73321 ++ {0.0} {} {} 108.57742 0.47388 0.54290 ++ {0.0} {} 0.963238835335 0.0816 0 {} 0 0 0 201 {} 8.03050 0.02991 0.03511 ++ {0.0} {} {} 56.94817 0.63734 0.72593 ++ {0.0} {} {} 108.08065 0.50784 0.57843 ++ {0.0} {} 1.49816250801 0.0810 0 {} 0 0 0 202 {} 8.02608 0.04531 0.12562 ++ {0.0} {} {} 43.09422 0.91894 1.83719 ++ {0.0} {} {} 108.10392 0.49237 1.12381 ++ {0.0} {} 11.6189107895 0.3422 0 {} 0 0 0 203 {} 8.02754 0.05203 0.07292 ++ {0.0} {} {} 29.99969 0.74441 1.13412 ++ {0.0} {} {} 108.14391 0.49137 0.73639 ++ {0.0} {} 4.70458745956 0.1391 0 {} 0 0 0 204 {} 8.02593 0.04856 0.10549 ++ {0.0} {} {} 26.58582 0.76860 1.52500 ++ {0.0} {} {} 108.12198 0.46533 0.78649 ++ {0.0} {} 6.99768638611 0.2251 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 C-aliphatic . 'not observed' 3600.665 Hz . . . 4.788 . . 31014 7 2 . . C 13 C-aliphatic . 'not observed' 10553.75 Hz . . . 35.083 . . 31014 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 31014 _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 5 _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 CBCACONH.nv 2105.50805664 9649.14257813 1400.02099609 599.598022461 150.774993896 60.763999939 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 {} 8.04473 0.02522 0.03071 ++ {0.0} {} {} 55.72984 0.90616 1.15835 ++ {0.0} {} {} 128.23700 0.22759 0.28713 ++ {0.0} {} -9.92260074615 -0.9917 0 {} 0 0 0 1 {} 8.04473 0.02515 0.01083 ++ {0.0} {} {} 31.33357 0.76526 0.26941 ++ {0.0} {} {} 128.23238 0.23000 0.08097 ++ {0.0} {} -1.61007118225 -0.4443 0 {} 0 0 0 2 {} 8.04190 0.02628 0.05766 ++ {0.0} {} {} 55.73050 0.91288 1.84224 ++ {0.0} {} {} 127.26010 0.46777 1.44546 ++ {0.0} {} 262.194671631 12.9116 0 {} 0 0 0 3 {} 8.04172 0.02762 0.02798 ++ {0.0} {} {} 54.43316 0.06968 0.07085 ++ {0.0} {} {} 127.24943 0.48114 0.48918 ++ {0.0} {} -8.2678194046 -0.7447 0 {} 0 0 0 4 {} 8.04183 0.02645 0.05360 ++ {0.0} {} {} 31.34728 0.76374 1.86185 ++ {0.0} {} {} 127.25800 0.46953 1.28019 ++ {0.0} {} 136.198883057 5.9532 0 {} 0 0 0 5 {} 7.94916 0.02854 0.02455 ++ {0.0} {} {} 45.39286 0.72078 0.59615 ++ {0.0} {} {} 124.59716 0.61524 0.50886 ++ {0.0} {} 9.2145614624 0.6243 0 {} 0 0 0 6 {} 8.43229 0.02121 0.01610 ++ {0.0} {} {} 62.42369 0.72424 0.50059 ++ {0.0} {} {} 123.97396 0.07428 0.05134 ++ {0.0} {} -3.68311452866 -0.5595 0 {} 0 0 0 7 {} 8.16216 0.03870 0.07707 ++ {0.0} {} {} 58.10450 0.98255 1.72568 ++ {0.0} {} {} 123.89809 0.54774 1.15222 ++ {0.0} {} 65.0101699829 2.6889 0 {} 0 0 0 8 {} 8.16175 0.03841 0.06194 ++ {0.0} {} {} 38.80719 0.80444 1.37017 ++ {0.0} {} {} 123.89829 0.54766 0.92173 ++ {0.0} {} 41.8553390503 1.6245 0 {} 0 0 0 9 {} 8.40054 0.04923 0.12471 ++ {0.0} {} {} 56.05182 0.91270 1.80637 ++ {0.0} {} {} 123.50169 0.68387 1.22052 ++ {0.0} {} 130.676879883 2.8193 0 {} 0 0 0 10 {} 8.42788 0.03414 0.09451 ++ {0.0} {} {} 62.38701 0.71669 1.78795 ++ {0.0} {} {} 123.09276 0.60908 1.30385 ++ {0.0} {} 187.868942261 7.3126 0 {} 0 0 0 11 {} 8.14077 0.03079 0.02972 ++ {0.0} {} {} 54.30851 0.77054 0.74278 ++ {0.0} {} {} 123.18967 0.24860 0.23965 ++ {0.0} {} -6.5405497551 -0.7068 0 {} 0 0 0 12 {} 8.14024 0.02625 0.02305 ++ {0.0} {} {} 41.15495 1.09064 0.93723 ++ {0.0} {} {} 123.18856 0.23291 0.19731 ++ {0.0} {} -4.61315107346 -0.6352 0 {} 0 0 0 13 {} 8.42762 0.03463 0.06994 ++ {0.0} {} {} 32.73202 0.95940 1.82771 ++ {0.0} {} {} 123.10401 0.66813 1.21025 ++ {0.0} {} 91.4241485596 2.8048 0 {} 0 0 0 14 {} 8.36585 0.04063 0.05453 ++ {0.0} {} {} 31.19516 1.02439 1.39208 ++ {0.0} {} {} 123.21001 0.50957 0.68688 ++ {0.0} {} 27.4849338531 1.1230 0 {} 0 0 0 15 {} 8.15339 0.03244 0.07441 ++ {0.0} {} {} 56.62151 1.05482 1.91253 ++ {0.0} {} {} 122.70992 0.60740 1.39604 ++ {0.0} {} 168.003326416 6.7901 0 {} 0 0 0 16 {} 8.15340 0.03234 0.06514 ++ {0.0} {} {} 30.16270 1.06789 1.83238 ++ {0.0} {} {} 122.70132 0.55392 1.23949 ++ {0.0} {} 88.3119888306 3.7001 0 {} 0 0 0 17 {} 7.97650 0.03897 0.05408 ++ {0.0} {} {} 59.17662 1.06355 1.44772 ++ {0.0} {} {} 122.03106 0.61496 0.89514 ++ {0.0} {} 26.7492294312 1.2255 0 {} 0 0 0 18 {} 8.09398 0.03521 0.05290 ++ {0.0} {} {} 58.08738 0.98075 1.52772 ++ {0.0} {} {} 122.11285 0.51284 0.75438 ++ {0.0} {} 31.8175010681 1.3841 0 {} 0 0 0 19 {} 8.70702 0.04095 0.08142 ++ {0.0} {} {} 56.47340 0.79084 1.64735 ++ {0.0} {} {} 122.06740 0.60407 1.12934 ++ {0.0} {} 67.5547485352 2.4235 0 {} 0 0 0 20 {} 8.13647 0.03713 0.09319 ++ {0.0} {} {} 54.34639 0.74706 1.83837 ++ {0.0} {} {} 122.19377 0.78871 1.62531 ++ {0.0} {} 338.295806885 8.5834 0 {} 0 0 0 21 {} 8.13719 0.03682 0.02777 ++ {0.0} {} {} 52.97192 0.10956 0.07670 ++ {0.0} {} {} 122.18247 0.57107 0.39980 ++ {0.0} {} -4.33945560455 -0.5633 0 {} 0 0 0 22 {} 8.13572 0.03858 0.09557 ++ {0.0} {} {} 41.15717 1.05802 1.92835 ++ {0.0} {} {} 122.17413 0.80506 1.73853 ++ {0.0} {} 315.394439697 8.6766 0 {} 0 0 0 23 {} 8.70711 0.04086 0.06063 ++ {0.0} {} {} 30.95029 0.74555 1.08167 ++ {0.0} {} {} 122.06544 0.60744 0.93264 ++ {0.0} {} 33.1041374207 1.3334 0 {} 0 0 0 24 {} 8.09343 0.03464 0.02941 ++ {0.0} {} {} 29.74116 0.92822 0.74593 ++ {0.0} {} {} 122.10802 0.54645 0.43914 ++ {0.0} {} 8.79749202728 0.6120 0 {} 0 0 0 25 {} 7.97666 0.03883 0.03066 ++ {0.0} {} {} 29.24272 0.89136 0.65335 ++ {0.0} {} {} 122.03561 0.61357 0.44974 ++ {0.0} {} 8.46337890625 0.5779 0 {} 0 0 0 26 {} 8.11356 0.03187 0.07447 ++ {0.0} {} {} 54.60454 0.99668 1.93010 ++ {0.0} {} {} 121.73030 0.63234 1.47106 ++ {0.0} {} 314.436126709 8.3415 0 {} 0 0 0 27 {} 8.11364 0.03234 0.07450 ++ {0.0} {} {} 41.18589 1.04742 1.92681 ++ {0.0} {} {} 121.73756 0.63060 1.46771 ++ {0.0} {} 289.435058594 7.9520 0 {} 0 0 0 28 {} 8.54460 0.03555 0.05742 ++ {0.0} {} {} 55.65350 1.05522 1.60387 ++ {0.0} {} {} 121.49712 0.45235 0.71244 ++ {0.0} {} 41.2035369873 1.7229 0 {} 0 0 0 29 {} 8.29148 0.02345 0.00274 ++ {0.0} {} {} 55.71949 0.80226 0.07549 ++ {0.0} {} {} 121.46628 0.07290 0.00686 ++ {0.0} {} -0.384194523096 -0.3842 0 {} 0 0 0 30 {} 8.54468 0.03572 0.03635 ++ {0.0} {} {} 28.84649 0.74598 0.76327 ++ {0.0} {} {} 121.49638 0.44416 0.45445 ++ {0.0} {} 14.0404100418 0.7496 0 {} 0 0 0 31 {} 8.34115 0.03491 0.03589 ++ {0.0} {} {} 28.33414 0.76655 0.79464 ++ {0.0} {} {} 121.31459 0.61007 0.63243 ++ {0.0} {} 12.5222406387 0.7601 0 {} 0 0 0 32 {} 7.99863 0.03478 0.04803 ++ {0.0} {} {} 62.36311 0.65224 1.84440 ++ {0.0} {} {} 120.81104 0.43202 0.60300 ++ {0.0} {} 36.2967033386 1.2118 0 {} 0 0 0 33 {} 8.37250 0.03322 0.06482 ++ {0.0} {} {} 60.18795 1.05771 1.70872 ++ {0.0} {} {} 120.98233 0.62252 1.09171 ++ {0.0} {} 63.3842849731 2.0333 0 {} 0 0 0 34 {} 8.14830 0.03336 0.05967 ++ {0.0} {} {} 59.20245 0.98937 1.71182 ++ {0.0} {} {} 121.05304 0.58257 1.15129 ++ {0.0} {} 74.5925064087 2.3624 0 {} 0 0 0 35 {} 8.29677 0.02434 0.00759 ++ {0.0} {} {} 57.12330 1.02984 0.31114 ++ {0.0} {} {} 121.10214 0.06675 0.01903 ++ {0.0} {} -0.841302752495 -0.4270 0 {} 0 0 0 36 {} 8.21470 0.03224 0.05226 ++ {0.0} {} {} 57.30583 0.78220 1.25914 ++ {0.0} {} {} 120.86147 0.48021 0.72445 ++ {0.0} {} 34.032989502 1.4901 0 {} 0 0 0 37 {} 8.18706 0.02872 0.02290 ++ {0.0} {} {} 54.60054 0.98448 0.75603 ++ {0.0} {} {} 121.08274 0.09739 0.07479 ++ {0.0} {} -4.32331895828 -0.5943 0 {} 0 0 0 38 {} 8.06907 0.04523 0.06864 ++ {0.0} {} {} 53.10744 0.98952 1.47325 ++ {0.0} {} {} 120.78854 0.42332 0.61743 ++ {0.0} {} 38.524772644 1.3524 0 {} 0 0 0 39 {} 8.18676 0.02540 0.01848 ++ {0.0} {} {} 41.20434 0.99964 0.67213 ++ {0.0} {} {} 121.08553 0.08614 0.05792 ++ {0.0} {} -4.04366254807 -0.5515 0 {} 0 0 0 40 {} 8.06931 0.04406 0.06902 ++ {0.0} {} {} 38.75577 0.86173 1.40399 ++ {0.0} {} {} 120.78423 0.42229 0.63429 ++ {0.0} {} 44.3075408936 1.4704 0 {} 0 0 0 41 {} 8.21436 0.03058 0.03256 ++ {0.0} {} {} 37.40920 0.73099 0.76945 ++ {0.0} {} {} 120.87242 0.48752 0.51317 ++ {0.0} {} 11.7183628082 0.7729 0 {} 0 0 0 42 {} 8.37289 0.03177 0.03928 ++ {0.0} {} {} 35.35042 0.75755 0.97706 ++ {0.0} {} {} 120.99023 0.59306 0.76490 ++ {0.0} {} 19.1880569458 1.0310 0 {} 0 0 0 43 {} 8.14842 0.03205 0.04331 ++ {0.0} {} {} 28.21423 0.95690 1.38576 ++ {0.0} {} {} 121.03181 0.59478 0.85644 ++ {0.0} {} 25.308927536 1.2077 0 {} 0 0 0 44 {} 8.63955 0.03981 0.04932 ++ {0.0} {} {} 64.74791 0.87382 1.08900 ++ {0.0} {} {} 120.70245 0.47506 0.59205 ++ {0.0} {} 21.7233562469 0.9715 0 {} 0 0 0 45 {} 8.32164 0.03012 0.05249 ++ {0.0} {} {} 60.21912 0.93162 1.66913 ++ {0.0} {} {} 120.59286 0.62700 1.09194 ++ {0.0} {} 47.4268836975 2.0325 0 {} 0 0 0 46 {} 8.07901 0.03212 0.05826 ++ {0.0} {} {} 58.08435 0.95409 1.68967 ++ {0.0} {} {} 120.62253 0.61542 1.08076 ++ {0.0} {} 42.5599021912 2.0774 0 {} 0 0 0 47 {} 8.28400 0.03049 0.07050 ++ {0.0} {} {} 55.59503 0.97690 1.39557 ++ {0.0} {} {} 120.54867 0.56946 1.32492 ++ {0.0} {} 150.687606812 7.5807 0 {} 0 0 0 48 {} 8.28406 0.03053 0.06170 ++ {0.0} {} {} 42.36622 0.74268 1.71179 ++ {0.0} {} {} 120.54733 0.57130 1.26074 ++ {0.0} {} 86.8235549927 3.9087 0 {} 0 0 0 49 {} 8.63915 0.03872 0.00572 ++ {0.0} {} {} 31.92019 0.72915 0.08023 ++ {0.0} {} {} 120.70104 0.48129 0.05296 ++ {0.0} {} 1.5023702383 0.3874 0 {} 0 0 0 50 {} 8.07956 0.03013 0.02717 ++ {0.0} {} {} 31.95528 0.74718 0.65105 ++ {0.0} {} {} 120.61770 0.62379 0.54354 ++ {0.0} {} 8.85598945618 0.6488 0 {} 0 0 0 51 {} 8.40179 0.03295 0.05717 ++ {0.0} {} {} 59.14144 1.06818 1.69174 ++ {0.0} {} {} 120.19437 0.53117 0.96988 ++ {0.0} {} 47.6339988708 2.1064 0 {} 0 0 0 52 {} 8.29202 0.03340 0.07583 ++ {0.0} {} {} 57.15165 1.11971 1.81769 ++ {0.0} {} {} 120.23804 0.63575 1.28904 ++ {0.0} {} 170.622634888 6.0215 0 {} 0 0 0 53 {} 8.18384 0.03207 0.07198 ++ {0.0} {} {} 54.59775 0.97427 1.90572 ++ {0.0} {} {} 120.21112 0.59040 1.27393 ++ {0.0} {} 122.801994324 6.5799 0 {} 0 0 0 54 {} 7.88980 0.03208 0.03394 ++ {0.0} {} {} 54.43243 0.74604 0.80453 ++ {0.0} {} {} 120.08476 0.44397 0.47878 ++ {0.0} {} 13.0061035156 0.7945 0 {} 0 0 0 55 {} 8.18384 0.03206 0.07044 ++ {0.0} {} {} 41.20594 0.98331 1.89292 ++ {0.0} {} {} 120.21186 0.59129 1.26278 ++ {0.0} {} 112.241172791 6.0075 0 {} 0 0 0 56 {} 7.88983 0.03172 0.03389 ++ {0.0} {} {} 41.22716 0.93756 1.02585 ++ {0.0} {} {} 120.08348 0.44182 0.48343 ++ {0.0} {} 13.9841480255 0.8084 0 {} 0 0 0 57 {} 8.33128 0.03585 0.04070 ++ {0.0} {} {} 32.74242 0.94874 1.09816 ++ {0.0} {} {} 120.41704 0.45399 0.52550 ++ {0.0} {} 18.5623836517 0.8691 0 {} 0 0 0 58 {} 8.29226 0.03428 0.06657 ++ {0.0} {} {} 30.09421 0.96952 1.80560 ++ {0.0} {} {} 120.23740 0.62611 1.19437 ++ {0.0} {} 73.4917755127 3.2617 0 {} 0 0 0 59 {} 8.40182 0.03218 0.03878 ++ {0.0} {} {} 28.18572 1.06241 1.31322 ++ {0.0} {} {} 120.19242 0.52745 0.65959 ++ {0.0} {} 17.0192298889 0.9770 0 {} 0 0 0 60 {} 8.40011 0.04757 0.08472 ++ {0.0} {} {} 63.20533 0.97045 1.60284 ++ {0.0} {} {} 119.99794 0.47830 0.76518 ++ {0.0} {} 58.1527900696 1.8296 0 {} 0 0 0 61 {} 8.40012 0.04629 0.05104 ++ {0.0} {} {} 32.11554 1.02779 1.15086 ++ {0.0} {} {} 120.00524 0.47640 0.53143 ++ {0.0} {} 19.2046260834 0.8279 0 {} 0 0 0 62 {} 8.38661 0.03319 0.05464 ++ {0.0} {} {} 60.88066 0.72487 1.23964 ++ {0.0} {} {} 119.64297 0.48002 0.76575 ++ {0.0} {} 44.9547615051 1.8090 0 {} 0 0 0 63 {} 8.06841 0.05580 0.07201 ++ {0.0} {} {} 45.60949 1.03626 1.35943 ++ {0.0} {} {} 119.37662 0.43895 0.56649 ++ {0.0} {} 32.054977417 1.0321 0 {} 0 0 0 64 {} 8.22401 0.03232 0.03855 ++ {0.0} {} {} 45.16960 1.05460 1.29486 ++ {0.0} {} {} 119.66447 0.06288 0.07867 ++ {0.0} {} -11.6657247543 -0.9778 0 {} 0 0 0 65 {} 8.38680 0.03356 0.04372 ++ {0.0} {} {} 38.66671 1.06531 1.39100 ++ {0.0} {} {} 119.64437 0.47712 0.64150 ++ {0.0} {} 22.3761482239 1.1171 0 {} 0 0 0 66 {} 7.89232 0.02951 0.05818 ++ {0.0} {} {} 59.48978 0.82145 1.77360 ++ {0.0} {} {} 119.21817 0.53977 1.15592 ++ {0.0} {} 100.083282471 2.9931 0 {} 0 0 0 67 {} 7.91656 0.04274 0.08839 ++ {0.0} {} {} 59.16562 1.15495 1.64992 ++ {0.0} {} {} 119.22392 0.53121 1.10011 ++ {0.0} {} 157.179504395 2.9100 0 {} 0 0 0 68 {} 7.76986 0.03009 0.06062 ++ {0.0} {} {} 59.05589 0.88520 1.76612 ++ {0.0} {} {} 119.21487 0.53195 1.12126 ++ {0.0} {} 62.121055603 2.8507 0 {} 0 0 0 69 {} 8.55453 0.04021 0.05645 ++ {0.0} {} {} 58.74278 0.86790 1.23618 ++ {0.0} {} {} 119.26391 0.47786 0.65687 ++ {0.0} {} 28.327299118 1.1708 0 {} 0 0 0 70 {} 8.20876 0.03763 0.05840 ++ {0.0} {} {} 58.22497 0.97266 1.54915 ++ {0.0} {} {} 119.09156 0.51244 0.77559 ++ {0.0} {} 43.9689826965 1.5052 0 {} 0 0 0 71 {} 7.92212 0.03180 0.04763 ++ {0.0} {} {} 41.70039 0.98397 1.51488 ++ {0.0} {} {} 119.15079 0.61769 0.97125 ++ {0.0} {} 26.7758769989 1.4452 0 {} 0 0 0 72 {} 7.77276 0.03952 0.03438 ++ {0.0} {} {} 32.58032 0.92244 0.76614 ++ {0.0} {} {} 119.19846 0.55770 0.46321 ++ {0.0} {} 11.2196111679 0.6261 0 {} 0 0 0 73 {} 8.20874 0.03724 0.03717 ++ {0.0} {} {} 30.22862 0.92705 0.92478 ++ {0.0} {} {} 119.10794 0.53694 0.53563 ++ {0.0} {} 13.1668081284 0.7305 0 {} 0 0 0 74 {} 7.89495 0.04347 0.05617 ++ {0.0} {} {} 29.96191 0.75161 1.07466 ++ {0.0} {} {} 119.21100 0.55479 0.79481 ++ {0.0} {} 38.1263885498 1.2842 0 {} 0 0 0 75 {} 7.76890 0.02987 0.02886 ++ {0.0} {} {} 30.10339 0.99946 0.95780 ++ {0.0} {} {} 119.21925 0.51983 0.49817 ++ {0.0} {} 10.8523626328 0.7029 0 {} 0 0 0 76 {} 8.55406 0.04073 0.03002 ++ {0.0} {} {} 28.38458 0.73531 0.50242 ++ {0.0} {} {} 119.26400 0.48508 0.33144 ++ {0.0} {} 8.3721075058 0.5561 0 {} 0 0 0 77 {} 7.95157 0.03264 0.05185 ++ {0.0} {} {} 60.18183 1.09468 1.64539 ++ {0.0} {} {} 118.94740 0.45864 0.71507 ++ {0.0} {} 52.119228363 1.6608 0 {} 0 0 0 78 {} 8.22018 0.03558 0.12984 ++ {0.0} {} {} 45.17705 1.06115 1.78179 ++ {0.0} {} {} 118.79822 0.63500 1.33668 ++ {0.0} {} 334.695861816 12.8632 0 {} 0 0 0 79 {} 7.95164 0.03236 0.03385 ++ {0.0} {} {} 39.04904 0.87880 0.92879 ++ {0.0} {} {} 118.93703 0.45745 0.48346 ++ {0.0} {} 13.3692321777 0.7764 0 {} 0 0 0 80 {} 8.20082 0.04276 0.00420 ++ {0.0} {} {} 32.10071 0.96866 0.07181 ++ {0.0} {} {} 118.72713 0.51467 0.03815 ++ {0.0} {} 0.757741093636 0.3802 0 {} 0 0 0 81 {} 8.02090 0.03345 0.05187 ++ {0.0} {} {} 61.04133 0.84354 1.43182 ++ {0.0} {} {} 118.18610 0.48360 0.74376 ++ {0.0} {} 35.6541290283 1.5848 0 {} 0 0 0 82 {} 7.50885 0.03175 0.05344 ++ {0.0} {} {} 56.41119 0.73539 1.40495 ++ {0.0} {} {} 118.26089 0.44525 0.73265 ++ {0.0} {} 57.2611312866 2.0655 0 {} 0 0 0 83 {} 8.23437 0.03233 0.04536 ++ {0.0} {} {} 54.94735 0.76978 1.08200 ++ {0.0} {} {} 118.11576 0.56901 0.80746 ++ {0.0} {} 27.2308673859 1.2319 0 {} 0 0 0 84 {} 8.02037 0.03304 0.03310 ++ {0.0} {} {} 32.70566 0.98774 0.98973 ++ {0.0} {} {} 118.18492 0.49287 0.49386 ++ {0.0} {} 12.1079730988 0.7337 0 {} 0 0 0 85 {} 7.50875 0.03211 0.04041 ++ {0.0} {} {} 30.46373 0.74473 0.96496 ++ {0.0} {} {} 118.25929 0.44851 0.58115 ++ {0.0} {} 21.5184249878 1.0397 0 {} 0 0 0 86 {} 8.23459 0.03173 0.03674 ++ {0.0} {} {} 18.56602 0.90081 1.04784 ++ {0.0} {} {} 118.11637 0.57799 0.67233 ++ {0.0} {} 16.1610336304 0.8751 0 {} 0 0 0 87 {} 8.76431 0.03355 0.05138 ++ {0.0} {} {} 60.93271 0.73462 1.13194 ++ {0.0} {} {} 117.76933 0.55014 0.88485 ++ {0.0} {} 34.5272750854 1.5077 0 {} 0 0 0 88 {} 8.27629 0.03172 0.05823 ++ {0.0} {} {} 59.82377 0.76761 1.53281 ++ {0.0} {} {} 117.75462 0.58023 1.11523 ++ {0.0} {} 51.0378265381 2.4555 0 {} 0 0 0 89 {} 7.92557 0.02859 0.05437 ++ {0.0} {} {} 58.70087 0.99018 1.74409 ++ {0.0} {} {} 117.57063 0.43678 0.75272 ++ {0.0} {} 53.760017395 2.6466 0 {} 0 0 0 90 {} 8.76432 0.03322 0.03880 ++ {0.0} {} {} 37.07708 0.93317 1.12331 ++ {0.0} {} {} 117.76583 0.54970 0.65816 ++ {0.0} {} 16.4833755493 0.9122 0 {} 0 0 0 91 {} 8.27638 0.02988 0.03770 ++ {0.0} {} {} 29.66620 1.06222 1.28785 ++ {0.0} {} {} 117.75497 0.57167 0.70462 ++ {0.0} {} 15.704199791 0.9541 0 {} 0 0 0 92 {} 7.92558 0.02850 0.03973 ++ {0.0} {} {} 27.75608 0.85444 1.23663 ++ {0.0} {} {} 117.56751 0.42496 0.59076 ++ {0.0} {} 21.7003955841 1.2007 0 {} 0 0 0 93 {} 7.67541 0.03452 0.06227 ++ {0.0} {} {} 55.65143 1.05364 1.66497 ++ {0.0} {} {} 116.99300 0.60927 1.07008 ++ {0.0} {} 40.8928375244 2.0467 0 {} 0 0 0 94 {} 7.67552 0.03460 0.04414 ++ {0.0} {} {} 35.94458 0.74034 0.96241 ++ {0.0} {} {} 116.99376 0.61171 0.81259 ++ {0.0} {} 21.1522693634 1.0460 0 {} 0 0 0 95 {} 8.51947 0.06022 0.07171 ++ {0.0} {} {} 63.42834 0.73039 0.87808 ++ {0.0} {} {} 116.05377 0.46919 0.56406 ++ {0.0} {} 27.0289859772 0.9178 0 {} 0 0 0 96 {} 8.51930 0.05853 0.03480 ++ {0.0} {} {} 32.15553 1.05522 0.48951 ++ {0.0} {} {} 116.05357 0.45875 0.21129 ++ {0.0} {} 4.75626754761 0.4757 0 {} 0 0 0 97 {} 8.12445 0.07067 0.03893 ++ {0.0} {} {} 63.78853 0.82300 0.37726 ++ {0.0} {} {} 115.15140 0.56869 0.26068 ++ {0.0} {} 4.70161437988 0.4750 0 {} 0 0 0 98 {} 8.12446 0.07622 0.05772 ++ {0.0} {} {} 58.59578 0.99207 0.68397 ++ {0.0} {} {} 115.15179 0.56663 0.39066 ++ {0.0} {} 15.2170753479 0.5587 0 {} 0 0 0 99 {} 7.41707 0.03476 0.06292 ++ {0.0} {} {} 58.12019 1.04278 1.72602 ++ {0.0} {} {} 114.88403 0.55939 1.11157 ++ {0.0} {} 49.280960083 2.4698 0 {} 0 0 0 100 {} 7.41697 0.03448 0.04254 ++ {0.0} {} {} 29.46699 0.75403 0.97249 ++ {0.0} {} {} 114.88354 0.56260 0.72560 ++ {0.0} {} 19.9805545807 1.0309 0 {} 0 0 0 101 {} 8.05041 0.03137 0.05333 ++ {0.0} {} {} 58.20919 0.95379 1.55681 ++ {0.0} {} {} 114.11028 0.60292 0.98873 ++ {0.0} {} 31.3229255676 1.6260 0 {} 0 0 0 102 {} 8.05095 0.03293 0.03085 ++ {0.0} {} {} 41.18606 1.03127 0.97219 ++ {0.0} {} {} 114.10799 0.60812 0.57328 ++ {0.0} {} 11.4620704651 0.6926 0 {} 0 0 0 103 {} 7.64865 0.02289 0.00317 ++ {0.0} {} {} 34.58810 0.96959 0.12452 ++ {0.0} {} {} 112.04764 0.73534 0.09444 ++ {0.0} {} 0.74756538868 0.3912 0 {} 0 0 0 104 {} 6.89445 0.05069 0.04488 ++ {0.0} {} {} 34.12281 1.31864 1.19021 ++ {0.0} {} {} 111.80042 0.67670 0.58927 ++ {0.0} {} 19.2654037476 0.6485 0 {} 0 0 0 105 {} 7.50166 0.04235 0.03991 ++ {0.0} {} {} 33.81075 0.81463 0.75969 ++ {0.0} {} {} 111.79949 0.87476 0.80589 ++ {0.0} {} 22.7452831268 0.6860 0 {} 0 0 0 106 {} 8.41221 0.03910 0.06124 ++ {0.0} {} {} 57.03426 0.85294 1.47044 ++ {0.0} {} {} 110.44117 0.49538 0.76054 ++ {0.0} {} 42.2892074585 1.5756 0 {} 0 0 0 107 {} 8.41162 0.03814 0.04659 ++ {0.0} {} {} 30.55767 0.88132 1.08782 ++ {0.0} {} {} 110.44003 0.49644 0.61275 ++ {0.0} {} 21.8522548676 0.9563 0 {} 0 0 0 108 {} 8.03256 0.05007 0.04728 ++ {0.0} {} {} 56.94191 0.78131 0.72797 ++ {0.0} {} {} 108.11416 0.48064 0.44783 ++ {0.0} {} 15.0593748093 0.6854 0 {} 0 0 0 109 {} 8.03346 0.04716 0.00413 ++ {0.0} {} {} 30.01421 0.85251 0.03587 ++ {0.0} {} {} 108.11398 0.48928 0.02059 ++ {0.0} {} 0.373985916376 0.3740 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 . 'not observed' 2105.508 Hz . . . 4.788 . . 31014 8 2 . . H 1 H . 'not observed' 6595.544 Hz . . . 4.788 . . 31014 8 3 . . N 15 HN . 'not observed' 1399.997 Hz . . . 119.161 . . 31014 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 31014 _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 7 _Spectral_peak_list.Experiment_name '2D 1H-13C 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 HNCACB.nv 2105.50805664 9649.14257813 1400.02099609 599.598022461 150.774993896 60.763999939 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 {} 8.01457 0.02075 0.01718 ++ {0.0} {} {} 56.75509 1.01497 0.81872 ++ {0.0} {} {} 130.21022 0.53624 0.43255 ++ {0.0} {} 0.880348324776 0.0736 0 {} 0 0 0 1 {} 8.04388 0.01991 0.02563 ++ {0.0} {} {} 55.98785 0.72366 0.95202 ++ {0.0} {} {} 130.28343 0.69990 2.29892 ++ {0.0} {} -4.36434316635 -0.1283 0 {} 0 0 0 2 {} 8.04034 0.02438 0.02114 ++ {0.0} {} {} 42.44082 0.76505 0.62015 ++ {0.0} {} {} 130.30580 0.62675 1.19661 ++ {0.0} {} 1.69760870934 0.0738 0 {} 0 0 0 3 {} 8.04553 0.02599 0.04580 ++ {0.0} {} {} 55.99884 0.75736 1.77530 ++ {0.0} {} {} 128.24751 0.17682 0.32075 ++ {0.0} {} -4.52611780167 -0.4721 0 {} 0 0 0 4 {} 8.04191 0.02509 0.02781 ++ {0.0} {} {} 31.46838 0.74704 0.84345 ++ {0.0} {} {} 128.24219 0.15224 0.17189 ++ {0.0} {} 0.694361507893 0.1008 0 {} 0 0 0 5 {} 8.09188 0.02389 0.00418 ++ {0.0} {} {} 58.08757 0.86073 0.14925 ++ {0.0} {} {} 127.77431 0.59344 0.10290 ++ {0.0} {} 0.0944077074528 0.0481 0 {} 0 0 0 6 {} 7.77556 0.01978 0.00709 ++ {0.0} {} {} 57.77927 0.73621 0.23682 ++ {0.0} {} {} 127.37079 0.54971 0.17683 ++ {0.0} {} 0.100277863443 0.0523 0 {} 0 0 0 7 {} 8.04118 0.02813 0.07233 ++ {0.0} {} {} 55.98177 0.73814 2.02975 ++ {0.0} {} {} 127.27175 0.44693 1.28670 ++ {0.0} {} 157.732192993 7.1901 0 {} 0 0 0 8 {} 8.04150 0.02713 0.06603 ++ {0.0} {} {} 42.33656 0.67966 1.89402 ++ {0.0} {} {} 127.26959 0.44527 1.27074 ++ {0.0} {} -105.203659058 -4.9466 0 {} 0 0 0 9 {} 8.04172 0.02727 0.05990 ++ {0.0} {} {} 31.45534 0.75002 2.08130 ++ {0.0} {} {} 127.26953 0.44093 1.14693 ++ {0.0} {} -36.5488624573 -1.5845 0 {} 0 0 0 10 {} 8.04037 0.02979 0.03180 ++ {0.0} {} {} 30.01276 0.19796 0.21557 ++ {0.0} {} {} 127.32288 0.49789 0.54218 ++ {0.0} {} 0.684382975101 0.0964 0 {} 0 0 0 11 {} 8.03955 0.02490 0.02287 ++ {0.0} {} {} 60.17546 1.21113 1.10297 ++ {0.0} {} {} 127.26093 0.51483 0.44989 ++ {0.0} {} 1.15377008915 0.0780 0 {} 0 0 0 12 {} 8.00315 0.00469 0.00396 ++ {0.0} {} {} 55.96972 0.69687 0.58842 ++ {0.0} {} {} 127.01769 0.35201 0.29723 ++ {0.0} {} -0.387277215719 -0.0760 0 {} 0 0 0 13 {} 8.04044 0.02784 0.01900 ++ {0.0} {} {} 47.15689 1.26855 0.66392 ++ {0.0} {} {} 127.24921 0.45870 0.22062 ++ {0.0} {} -0.72058147192 -0.0578 0 {} 0 0 0 14 {} 8.00352 0.00742 0.00576 ++ {0.0} {} {} 42.24921 0.78836 0.61169 ++ {0.0} {} {} 127.05390 0.50710 0.39346 ++ {0.0} {} 0.319185853004 0.0717 0 {} 0 0 0 15 {} 8.04129 0.02618 0.04266 ++ {0.0} {} {} 40.98004 0.13638 0.23350 ++ {0.0} {} {} 127.25791 0.46283 0.79424 ++ {0.0} {} 3.37492346764 0.3051 0 {} 0 0 0 16 {} 8.43105 0.02601 0.00925 ++ {0.0} {} {} 54.32508 0.72809 0.21866 ++ {0.0} {} {} 125.95852 0.58293 0.35441 ++ {0.0} {} -0.331732720137 -0.0517 0 {} 0 0 0 17 {} 7.95062 0.02981 0.03794 ++ {0.0} {} {} 57.34745 0.65488 0.91758 ++ {0.0} {} {} 124.59010 0.64980 0.96905 ++ {0.0} {} 2.56581115723 0.1467 0 {} 0 0 0 18 {} 7.85401 0.02986 0.00885 ++ {0.0} {} {} 57.11250 0.95759 0.23688 ++ {0.0} {} {} 124.56624 0.66844 0.16535 ++ {0.0} {} 0.0959958583117 0.0501 0 {} 0 0 0 19 {} 7.94896 0.02776 0.03136 ++ {0.0} {} {} 45.42438 0.64333 0.74198 ++ {0.0} {} {} 124.61391 0.56064 0.64661 ++ {0.0} {} 1.60056495667 0.1037 0 {} 0 0 0 20 {} 7.94948 0.02587 0.03070 ++ {0.0} {} {} 30.54879 0.80857 0.99734 ++ {0.0} {} {} 124.59639 0.64407 0.79589 ++ {0.0} {} -1.70643997192 -0.1146 0 {} 0 0 0 21 {} 8.40733 0.02727 0.00681 ++ {0.0} {} {} 56.29342 0.75452 0.11826 ++ {0.0} {} {} 124.36992 0.03268 0.00512 ++ {0.0} {} -0.092098839581 -0.0476 0 {} 0 0 0 22 {} 8.47167 0.03560 0.03982 ++ {0.0} {} {} 52.88016 0.66701 0.77146 ++ {0.0} {} {} 124.22643 0.62478 0.72261 ++ {0.0} {} 2.05071234703 0.1041 0 {} 0 0 0 23 {} 8.47249 0.02781 0.02211 ++ {0.0} {} {} 19.31349 0.70789 0.52513 ++ {0.0} {} {} 124.22422 0.72110 0.53493 ++ {0.0} {} -0.912020027637 -0.0698 0 {} 0 0 0 24 {} 8.16292 0.03825 0.07017 ++ {0.0} {} {} 58.10050 0.86632 1.63723 ++ {0.0} {} {} 123.90796 0.53171 1.08145 ++ {0.0} {} 6.56284475327 0.3169 0 {} 0 0 0 25 {} 8.16236 0.03834 0.09040 ++ {0.0} {} {} 55.97668 0.70385 1.86232 ++ {0.0} {} {} 123.89164 0.71154 1.48131 ++ {0.0} {} 26.2343273163 0.8535 0 {} 0 0 0 26 {} 8.43482 0.02483 0.03192 ++ {0.0} {} {} 54.28507 0.69181 0.96679 ++ {0.0} {} {} 123.97728 0.06998 0.09780 ++ {0.0} {} -1.2115893364 -0.1458 0 {} 0 0 0 27 {} 8.11698 0.02668 0.00190 ++ {0.0} {} {} 42.56005 0.84102 0.06044 ++ {0.0} {} {} 123.81102 0.72599 0.05807 ++ {0.0} {} 0.0455491133034 0.0455 0 {} 0 0 0 28 {} 8.43117 0.02179 0.02830 ++ {0.0} {} {} 41.16427 0.97204 1.43169 ++ {0.0} {} {} 123.98261 0.05842 0.08462 ++ {0.0} {} 1.26676082611 0.1592 0 {} 0 0 0 29 {} 8.16185 0.04063 0.06121 ++ {0.0} {} {} 38.83369 0.72469 1.24839 ++ {0.0} {} {} 123.92921 0.51524 0.84650 ++ {0.0} {} -5.58929920197 -0.2110 0 {} 0 0 0 30 {} 8.16203 0.03795 0.09401 ++ {0.0} {} {} 33.30223 0.74288 1.77846 ++ {0.0} {} {} 123.90531 0.54602 1.27259 ++ {0.0} {} -16.8390598297 -0.6187 0 {} 0 0 0 31 {} 8.28705 0.02253 0.01173 ++ {0.0} {} {} 56.66611 0.99001 0.42432 ++ {0.0} {} {} 123.46408 2.01144 1.56150 ++ {0.0} {} -0.649764060974 -0.0559 0 {} 0 0 0 32 {} 8.40125 0.04511 0.16716 ++ {0.0} {} {} 56.25221 0.96539 1.37914 ++ {0.0} {} {} 123.51985 0.60069 1.32289 ++ {0.0} {} 43.9433441162 1.0236 0 {} 0 0 0 33 {} 8.15459 0.03049 0.04548 ++ {0.0} {} {} 53.99070 0.76218 1.22394 ++ {0.0} {} {} 123.60660 0.10769 0.16907 ++ {0.0} {} -3.22723340988 -0.2042 0 {} 0 0 0 34 {} 8.40183 0.04504 0.11845 ++ {0.0} {} {} 31.03656 0.82965 1.95204 ++ {0.0} {} {} 123.52938 0.57419 1.24443 ++ {0.0} {} -20.4971046448 -0.5015 0 {} 0 0 0 35 {} 8.15388 0.03078 0.04417 ++ {0.0} {} {} 30.23898 0.76631 1.32436 ++ {0.0} {} {} 123.59928 0.10570 0.16533 ++ {0.0} {} 2.1687169075 0.2015 0 {} 0 0 0 36 {} 8.42857 0.03362 0.08803 ++ {0.0} {} {} 62.31746 0.71281 1.86184 ++ {0.0} {} {} 123.10470 0.65328 1.29675 ++ {0.0} {} 16.2686843872 0.7604 0 {} 0 0 0 37 {} 8.09210 0.02990 0.00482 ++ {0.0} {} {} 58.13953 0.97914 0.15859 ++ {0.0} {} {} 123.10341 0.69917 0.12011 ++ {0.0} {} -0.0936487242579 -0.0478 0 {} 0 0 0 38 {} 8.42813 0.03382 0.11008 ++ {0.0} {} {} 54.30266 0.70169 1.91283 ++ {0.0} {} {} 123.09831 0.63527 1.36945 ++ {0.0} {} 56.0515480042 2.3274 0 {} 0 0 0 39 {} 8.42786 0.02860 0.00319 ++ {0.0} {} {} 44.77376 0.25122 0.35889 ++ {0.0} {} {} 123.11098 0.72349 0.07251 ++ {0.0} {} -0.0853582322598 -0.0462 0 {} 0 0 0 40 {} 8.42821 0.03376 0.11013 ++ {0.0} {} {} 41.19329 0.97071 1.71808 ++ {0.0} {} {} 123.09917 0.63178 1.35943 ++ {0.0} {} -51.5197868347 -2.4651 0 {} 0 0 0 41 {} 8.18295 0.02469 0.01698 ++ {0.0} {} {} 41.19929 0.94385 0.52081 ++ {0.0} {} {} 123.13819 0.95696 0.59555 ++ {0.0} {} 0.574937641621 0.0606 0 {} 0 0 0 42 {} 8.13996 0.02443 0.02156 ++ {0.0} {} {} 41.17995 0.98760 0.83392 ++ {0.0} {} {} 123.22672 0.13651 0.11527 ++ {0.0} {} 0.553757548332 0.0760 0 {} 0 0 0 43 {} 8.42833 0.03397 0.08099 ++ {0.0} {} {} 32.75619 0.82914 1.87331 ++ {0.0} {} {} 123.11137 0.68639 1.30969 ++ {0.0} {} -19.9117774963 -0.5549 0 {} 0 0 0 44 {} 8.36659 0.03841 0.06440 ++ {0.0} {} {} 29.50090 0.75407 1.07725 ++ {0.0} {} {} 123.21173 0.50944 0.97523 ++ {0.0} {} -7.00350666046 -0.2731 0 {} 0 0 0 45 {} 7.97795 0.03341 0.01529 ++ {0.0} {} {} 59.02394 0.74979 0.12996 ++ {0.0} {} {} 122.90148 0.05732 0.00994 ++ {0.0} {} -0.138399988413 -0.0481 0 {} 0 0 0 46 {} 8.71511 0.02858 0.00748 ++ {0.0} {} {} 57.14505 0.96024 0.21021 ++ {0.0} {} {} 122.92088 0.04972 0.01088 ++ {0.0} {} -0.0932904332876 -0.0493 0 {} 0 0 0 47 {} 8.15414 0.03193 0.07204 ++ {0.0} {} {} 56.57460 0.99340 1.78685 ++ {0.0} {} {} 122.71093 0.58124 1.39671 ++ {0.0} {} 29.1664543152 0.8835 0 {} 0 0 0 48 {} 8.16972 0.03252 0.01439 ++ {0.0} {} {} 60.96558 0.67751 0.17251 ++ {0.0} {} {} 122.44685 0.25918 0.06599 ++ {0.0} {} -0.265611886978 -0.0503 0 {} 0 0 0 49 {} 8.54657 0.03340 0.00835 ++ {0.0} {} {} 57.00129 0.68799 0.10675 ++ {0.0} {} {} 122.49458 0.14328 0.02223 ++ {0.0} {} -0.0917895138264 -0.0476 0 {} 0 0 0 50 {} 8.12180 0.02397 0.03824 ++ {0.0} {} {} 55.72586 0.41296 0.69454 ++ {0.0} {} {} 122.54771 0.06162 0.10364 ++ {0.0} {} 0.872665882111 -0.2760 0 {} 0 0 0 51 {} 8.14076 0.03668 0.08866 ++ {0.0} {} {} 54.29095 0.78686 1.99010 ++ {0.0} {} {} 122.31783 0.69279 1.99663 ++ {0.0} {} 191.098266602 4.8892 0 {} 0 0 0 52 {} 8.11772 0.01758 0.02328 ++ {0.0} {} {} 42.44251 0.70510 0.95207 ++ {0.0} {} {} 122.56239 0.03401 0.04592 ++ {0.0} {} 1.20924866199 0.1352 0 {} 0 0 0 53 {} 8.13834 0.02483 0.02755 ++ {0.0} {} {} 38.19347 0.86406 0.98265 ++ {0.0} {} {} 122.33506 0.75003 0.87977 ++ {0.0} {} 1.76292562485 0.1018 0 {} 0 0 0 54 {} 8.14287 0.03851 0.14001 ++ {0.0} {} {} 30.14251 1.04113 1.57752 ++ {0.0} {} {} 122.37245 0.88725 1.98530 ++ {0.0} {} -110.321723938 -3.2278 0 {} 0 0 0 55 {} 8.34294 0.03192 0.01838 ++ {0.0} {} {} 60.94448 0.65351 0.31010 ++ {0.0} {} {} 122.17548 0.08467 0.04018 ++ {0.0} {} -0.38852751255 -0.0576 0 {} 0 0 0 56 {} 7.97689 0.03689 0.08792 ++ {0.0} {} {} 58.98623 0.72466 1.83165 ++ {0.0} {} {} 122.04236 0.61669 1.36467 ++ {0.0} {} 16.0170345306 0.6756 0 {} 0 0 0 57 {} 8.09388 0.03541 0.08798 ++ {0.0} {} {} 58.15224 0.97208 1.93129 ++ {0.0} {} {} 122.12537 0.50569 1.32649 ++ {0.0} {} 24.8526515961 0.9522 0 {} 0 0 0 58 {} 8.70763 0.04042 0.11570 ++ {0.0} {} {} 56.98366 0.85170 1.95772 ++ {0.0} {} {} 122.07285 0.60038 1.28136 ++ {0.0} {} 24.8949069977 0.7608 0 {} 0 0 0 59 {} 8.04149 0.01827 0.01991 ++ {0.0} {} {} 55.74609 0.73598 0.22107 ++ {0.0} {} {} 122.06818 0.67252 0.20201 ++ {0.0} {} 0.183604672551 0.0517 0 {} 0 0 0 60 {} 8.13640 0.03483 0.04571 ++ {0.0} {} {} 52.96891 0.09787 0.13568 ++ {0.0} {} {} 122.10426 0.51206 0.70983 ++ {0.0} {} -1.55495429039 -0.1431 0 {} 0 0 0 61 {} 7.97717 0.03727 0.06997 ++ {0.0} {} {} 32.16381 1.00052 1.78967 ++ {0.0} {} {} 122.04315 0.62218 1.16644 ++ {0.0} {} -7.50037240982 -0.3471 0 {} 0 0 0 62 {} 8.70703 0.04081 0.08812 ++ {0.0} {} {} 30.28508 0.46412 1.90087 ++ {0.0} {} {} 122.07274 0.59710 1.22446 ++ {0.0} {} -16.3099517822 -0.4871 0 {} 0 0 0 63 {} 7.97677 0.03798 0.04189 ++ {0.0} {} {} 29.29521 0.63398 0.71991 ++ {0.0} {} {} 122.04253 0.62301 0.70744 ++ {0.0} {} -1.66245353222 -0.1016 0 {} 0 0 0 64 {} 8.16346 0.03620 0.09501 ++ {0.0} {} {} 61.01957 0.72594 1.75147 ++ {0.0} {} {} 121.54562 0.44292 0.88199 ++ {0.0} {} 13.1152610779 0.5218 0 {} 0 0 0 65 {} 8.38035 0.02916 0.03442 ++ {0.0} {} {} 60.11719 0.75826 0.93842 ++ {0.0} {} {} 121.83834 0.06145 0.07605 ++ {0.0} {} -1.21501421928 -0.1152 0 {} 0 0 0 66 {} 8.22161 0.02555 0.01938 ++ {0.0} {} {} 59.12318 0.97747 0.67356 ++ {0.0} {} {} 121.77586 0.11731 0.08084 ++ {0.0} {} -0.464087426662 -0.0670 0 {} 0 0 0 67 {} 8.15594 0.02479 0.02629 ++ {0.0} {} {} 57.87472 0.67188 0.73774 ++ {0.0} {} {} 121.81979 0.06898 0.07574 ++ {0.0} {} -0.640917897224 -0.0974 0 {} 0 0 0 68 {} 8.54344 0.03557 0.09106 ++ {0.0} {} {} 56.99360 0.70747 1.85580 ++ {0.0} {} {} 121.51385 0.44267 1.03312 ++ {0.0} {} 24.0915908813 0.7966 0 {} 0 0 0 69 {} 8.11362 0.02978 0.08901 ++ {0.0} {} {} 55.53790 0.82416 2.11424 ++ {0.0} {} {} 121.70374 0.65361 1.37319 ++ {0.0} {} 133.069320679 3.9607 0 {} 0 0 0 70 {} 8.07428 0.02986 0.04884 ++ {0.0} {} {} 53.66088 0.95166 1.74921 ++ {0.0} {} {} 121.60082 0.52216 1.05934 ++ {0.0} {} 12.0633935928 0.3190 0 {} 0 0 0 71 {} 8.11405 0.02788 0.01872 ++ {0.0} {} {} 46.69489 0.70724 1.01034 ++ {0.0} {} {} 121.73847 0.54597 0.30905 ++ {0.0} {} -0.718957185745 -0.0612 0 {} 0 0 0 72 {} 8.11127 0.02223 0.00880 ++ {0.0} {} {} 45.09853 0.97240 0.94764 ++ {0.0} {} {} 121.72122 0.60398 0.24822 ++ {0.0} {} -0.291902899742 -0.0553 0 {} 0 0 0 73 {} 8.11342 0.02995 0.08875 ++ {0.0} {} {} 42.41721 0.73898 1.05568 ++ {0.0} {} {} 121.70536 0.65898 1.37032 ++ {0.0} {} -85.8828430176 -2.7644 0 {} 0 0 0 74 {} 8.11365 0.02752 0.03850 ++ {0.0} {} {} 39.96718 0.14872 0.21708 ++ {0.0} {} {} 121.72361 0.60258 0.94733 ++ {0.0} {} 1.94909584522 0.1625 0 {} 0 0 0 75 {} 8.16409 0.03383 0.07362 ++ {0.0} {} {} 32.76503 0.83441 1.78124 ++ {0.0} {} {} 121.54053 0.49639 1.31146 ++ {0.0} {} -11.128367424 -0.3701 0 {} 0 0 0 76 {} 8.54413 0.03591 0.08473 ++ {0.0} {} {} 30.62850 1.04664 1.49520 ++ {0.0} {} {} 121.51063 0.44183 0.94759 ++ {0.0} {} -17.0771694183 -0.6088 0 {} 0 0 0 77 {} 8.08701 0.02205 0.02286 ++ {0.0} {} {} 59.48074 0.67757 0.71224 ++ {0.0} {} {} 121.47193 0.05443 0.05721 ++ {0.0} {} -0.527696490288 -0.0926 0 {} 0 0 0 78 {} 8.32884 0.02615 0.02082 ++ {0.0} {} {} 57.99951 0.24995 0.18793 ++ {0.0} {} {} 121.42751 0.13693 0.10296 ++ {0.0} {} -0.239910766482 -0.0704 0 {} 0 0 0 79 {} 8.29532 0.01202 0.01120 ++ {0.0} {} {} 56.69501 0.83657 0.77945 ++ {0.0} {} {} 121.48201 0.03829 0.03567 ++ {0.0} {} -0.292016208172 -0.0822 0 {} 0 0 0 80 {} 8.32479 0.01883 0.01070 ++ {0.0} {} {} 38.77792 0.77954 0.43473 ++ {0.0} {} {} 121.46076 0.07008 0.03908 ++ {0.0} {} 0.203340470791 0.0609 0 {} 0 0 0 81 {} 8.34138 0.03609 0.07734 ++ {0.0} {} {} 37.11582 0.98448 1.85686 ++ {0.0} {} {} 121.32708 0.61861 1.21113 ++ {0.0} {} -12.2102804184 -0.4738 0 {} 0 0 0 82 {} 8.08683 0.01948 0.00090 ++ {0.0} {} {} 29.96685 0.45991 0.01746 ++ {0.0} {} {} 121.45411 0.04474 0.00170 ++ {0.0} {} 0.0447619184852 0.0448 0 {} 0 0 0 83 {} 8.34057 0.03372 0.04743 ++ {0.0} {} {} 28.39371 0.67483 0.97562 ++ {0.0} {} {} 121.30901 0.67949 0.98999 ++ {0.0} {} -2.80088281631 -0.1585 0 {} 0 0 0 84 {} 8.37245 0.03136 0.15073 ++ {0.0} {} {} 60.19059 1.00663 1.79925 ++ {0.0} {} {} 120.99489 0.65231 1.37027 ++ {0.0} {} 92.6563186646 1.5233 0 {} 0 0 0 85 {} 8.40483 0.02590 0.03587 ++ {0.0} {} {} 59.06278 0.45407 0.64899 ++ {0.0} {} {} 121.07024 0.09793 0.13997 ++ {0.0} {} -0.946279346943 -0.1539 0 {} 0 0 0 86 {} 8.21398 0.02888 0.09769 ++ {0.0} {} {} 59.11726 0.97617 1.72162 ++ {0.0} {} {} 120.89119 0.53472 1.32488 ++ {0.0} {} 33.0708351135 1.0756 0 {} 0 0 0 87 {} 7.99850 0.03498 0.08174 ++ {0.0} {} {} 59.08022 1.00179 1.79092 ++ {0.0} {} {} 120.82867 0.73418 1.70150 ++ {0.0} {} 22.5223617554 0.8465 0 {} 0 0 0 88 {} 8.14806 0.03352 0.09769 ++ {0.0} {} {} 57.93709 0.90335 1.29051 ++ {0.0} {} {} 120.99136 0.59334 1.29580 ++ {0.0} {} 37.9999275208 1.2032 0 {} 0 0 0 89 {} 8.21600 0.03416 0.08198 ++ {0.0} {} {} 57.28392 0.85009 1.85808 ++ {0.0} {} {} 120.89104 0.53353 1.13486 ++ {0.0} {} 13.6858816147 0.3297 0 {} 0 0 0 90 {} 8.10672 0.01537 0.01867 ++ {0.0} {} {} 55.61905 0.86849 1.06756 ++ {0.0} {} {} 120.81181 0.03276 0.04027 ++ {0.0} {} -0.556145846844 -0.1139 0 {} 0 0 0 91 {} 8.29882 0.02902 0.03609 ++ {0.0} {} {} 54.48914 0.31368 0.42023 ++ {0.0} {} {} 121.10824 0.05444 0.07293 ++ {0.0} {} -1.17304992676 -0.1330 0 {} 0 0 0 92 {} 8.18659 0.02593 0.03933 ++ {0.0} {} {} 54.58238 0.81508 1.54017 ++ {0.0} {} {} 121.09599 0.06696 0.10938 ++ {0.0} {} -2.23289346695 -0.2396 0 {} 0 0 0 93 {} 7.96104 0.02639 0.02081 ++ {0.0} {} {} 53.51253 0.74337 0.52860 ++ {0.0} {} {} 120.80129 0.46580 0.33123 ++ {0.0} {} 0.801461935043 0.0681 0 {} 0 0 0 94 {} 8.10772 0.01800 0.01343 ++ {0.0} {} {} 42.53722 0.77086 0.53070 ++ {0.0} {} {} 120.80817 0.02671 0.01839 ++ {0.0} {} 0.259653449059 0.0670 0 {} 0 0 0 95 {} 8.14825 0.03067 0.06080 ++ {0.0} {} {} 41.73006 0.84507 1.78516 ++ {0.0} {} {} 120.99112 0.62204 1.50968 ++ {0.0} {} -64.8846054077 -0.8914 0 {} 0 0 0 96 {} 8.29533 0.02643 0.03655 ++ {0.0} {} {} 41.15848 0.76930 1.05052 ++ {0.0} {} {} 121.10612 0.05496 0.07563 ++ {0.0} {} 1.32001817226 0.1408 0 {} 0 0 0 97 {} 8.06999 0.04391 0.08987 ++ {0.0} {} {} 38.83473 0.69441 1.45445 ++ {0.0} {} {} 120.80865 0.44451 0.77992 ++ {0.0} {} -12.4126205444 -0.3578 0 {} 0 0 0 98 {} 8.21581 0.03265 0.05421 ++ {0.0} {} {} 37.46378 0.73239 1.40187 ++ {0.0} {} {} 120.89095 0.52505 0.92857 ++ {0.0} {} -5.09716939926 -0.2280 0 {} 0 0 0 99 {} 8.37256 0.03033 0.05106 ++ {0.0} {} {} 35.39826 0.67486 1.14056 ++ {0.0} {} {} 121.00546 0.56178 1.04880 ++ {0.0} {} -5.11830091476 -0.2468 0 {} 0 0 0 100 {} 8.37264 0.03129 0.08357 ++ {0.0} {} {} 30.69340 1.06138 1.78153 ++ {0.0} {} {} 120.97260 0.73379 1.45479 ++ {0.0} {} -39.812171936 -0.7047 0 {} 0 0 0 101 {} 7.99892 0.03333 0.06968 ++ {0.0} {} {} 28.43945 0.79895 2.07558 ++ {0.0} {} {} 120.83549 0.45585 0.90995 ++ {0.0} {} -11.2564334869 -0.4415 0 {} 0 0 0 102 {} 8.21406 0.02704 0.08266 ++ {0.0} {} {} 28.25105 0.81126 1.78855 ++ {0.0} {} {} 120.89156 0.53586 1.26497 ++ {0.0} {} -15.252363205 -0.6209 0 {} 0 0 0 103 {} 8.14908 0.03233 0.05562 ++ {0.0} {} {} 28.26313 0.79983 1.59987 ++ {0.0} {} {} 121.02723 0.59465 1.16928 ++ {0.0} {} -7.63187122345 -0.2876 0 {} 0 0 0 104 {} 8.63831 0.03895 0.04862 ++ {0.0} {} {} 64.69005 0.89160 1.15281 ++ {0.0} {} {} 120.72996 0.45595 0.57986 ++ {0.0} {} 2.38939905167 0.1206 0 {} 0 0 0 105 {} 7.99790 0.02820 0.02914 ++ {0.0} {} {} 61.55431 0.58339 0.60950 ++ {0.0} {} {} 120.77575 0.48600 0.50776 ++ {0.0} {} 1.10390865803 0.0919 0 {} 0 0 0 106 {} 8.32156 0.03006 0.09482 ++ {0.0} {} {} 60.73136 1.11414 1.59163 ++ {0.0} {} {} 120.60656 0.66027 1.47007 ++ {0.0} {} 50.0573501587 1.3507 0 {} 0 0 0 107 {} 8.07938 0.03177 0.14278 ++ {0.0} {} {} 59.47156 0.69631 1.94359 ++ {0.0} {} {} 120.63174 0.60091 1.33146 ++ {0.0} {} 52.4496650696 1.4539 0 {} 0 0 0 108 {} 8.32979 0.03043 0.12040 ++ {0.0} {} {} 58.15346 0.97351 1.52349 ++ {0.0} {} {} 120.45387 0.45018 1.13924 ++ {0.0} {} 58.0817260742 1.1062 0 {} 0 0 0 109 {} 8.28479 0.03106 0.08939 ++ {0.0} {} {} 56.57687 0.93909 1.34156 ++ {0.0} {} {} 120.53146 0.58493 1.52946 ++ {0.0} {} 75.3084106445 3.2632 0 {} 0 0 0 110 {} 8.64014 0.03892 0.08185 ++ {0.0} {} {} 54.87289 0.68042 1.43964 ++ {0.0} {} {} 120.71828 0.46599 0.89134 ++ {0.0} {} 10.7151012421 0.3561 0 {} 0 0 0 111 {} 8.32204 0.02742 0.05700 ++ {0.0} {} {} 38.72358 0.85722 1.77275 ++ {0.0} {} {} 120.59798 0.62158 1.27050 ++ {0.0} {} -13.0646533966 -0.7555 0 {} 0 0 0 112 {} 8.28359 0.01602 0.00551 ++ {0.0} {} {} 38.14437 0.73001 0.23444 ++ {0.0} {} {} 120.43301 0.48536 0.15587 ++ {0.0} {} 0.190601587296 0.0523 0 {} 0 0 0 113 {} 8.33078 0.03523 0.06161 ++ {0.0} {} {} 32.78307 1.12090 1.87421 ++ {0.0} {} {} 120.43615 0.44481 0.68224 ++ {0.0} {} -5.77036762238 -0.1884 0 {} 0 0 0 114 {} 8.07932 0.03035 0.05334 ++ {0.0} {} {} 31.98015 0.83694 1.86764 ++ {0.0} {} {} 120.62967 0.60001 1.16013 ++ {0.0} {} -7.47921466827 -0.2855 0 {} 0 0 0 115 {} 8.63714 0.02464 0.01568 ++ {0.0} {} {} 31.88677 0.68244 0.43250 ++ {0.0} {} {} 120.68963 0.56605 0.35873 ++ {0.0} {} -0.774348855019 -0.0643 0 {} 0 0 0 116 {} 8.28538 0.03259 0.07702 ++ {0.0} {} {} 30.22095 1.03014 1.80982 ++ {0.0} {} {} 120.51299 0.56904 1.51595 ++ {0.0} {} -65.7639694214 -2.4163 0 {} 0 0 0 117 {} 8.07938 0.03128 0.07439 ++ {0.0} {} {} 30.02972 0.82470 1.17814 ++ {0.0} {} {} 120.63059 0.59370 1.29184 ++ {0.0} {} -17.1877670288 -0.8734 0 {} 0 0 0 118 {} 8.28410 0.02969 0.03994 ++ {0.0} {} {} 28.93890 0.07948 0.11298 ++ {0.0} {} {} 120.54001 0.58715 0.87008 ++ {0.0} {} 1.90634191036 0.1518 0 {} 0 0 0 119 {} 8.07761 0.02348 0.00179 ++ {0.0} {} {} 28.49586 0.24319 0.01884 ++ {0.0} {} {} 120.56955 0.58973 0.04569 ++ {0.0} {} 0.0911292433739 0.0457 0 {} 0 0 0 120 {} 8.64010 0.04073 0.06317 ++ {0.0} {} {} 18.64842 0.95009 1.54202 ++ {0.0} {} {} 120.70619 0.48824 0.76670 ++ {0.0} {} -4.75236654282 -0.2044 0 {} 0 0 0 121 {} 8.40183 0.03316 0.09693 ++ {0.0} {} {} 59.12119 0.95699 1.68677 ++ {0.0} {} {} 120.17807 0.54809 1.33227 ++ {0.0} {} 77.2547073364 1.6879 0 {} 0 0 0 122 {} 8.14482 0.01981 0.01268 ++ {0.0} {} {} 57.92991 0.73285 0.46631 ++ {0.0} {} {} 120.11266 0.06263 0.03985 ++ {0.0} {} -0.322915315628 -0.0644 0 {} 0 0 0 123 {} 8.29229 0.03396 0.13457 ++ {0.0} {} {} 54.60969 1.01813 1.45447 ++ {0.0} {} {} 120.24580 0.63910 1.35194 ++ {0.0} {} 52.3230400085 2.2100 0 {} 0 0 0 124 {} 8.18406 0.03216 0.08613 ++ {0.0} {} {} 54.58907 0.83061 1.94624 ++ {0.0} {} {} 120.21871 0.61743 1.35125 ++ {0.0} {} 57.8502693176 3.2833 0 {} 0 0 0 125 {} 7.89046 0.03153 0.05449 ++ {0.0} {} {} 53.83434 0.76811 1.77977 ++ {0.0} {} {} 120.08887 0.43663 0.80053 ++ {0.0} {} 11.8240537643 0.4815 0 {} 0 0 0 126 {} 8.29234 0.03356 0.13452 ++ {0.0} {} {} 41.25773 0.78840 1.92971 ++ {0.0} {} {} 120.24116 0.62967 1.33952 ++ {0.0} {} -51.2571144104 -2.0377 0 {} 0 0 0 127 {} 8.18416 0.03188 0.08072 ++ {0.0} {} {} 41.23024 0.99450 1.78998 ++ {0.0} {} {} 120.21917 0.62154 1.35887 ++ {0.0} {} -65.7717437744 -3.2472 0 {} 0 0 0 128 {} 7.88970 0.02966 0.03760 ++ {0.0} {} {} 41.24838 0.79506 1.13111 ++ {0.0} {} {} 120.09167 0.43749 0.61335 ++ {0.0} {} -2.32018661499 -0.1469 0 {} 0 0 0 129 {} 8.18429 0.03081 0.04896 ++ {0.0} {} {} 39.94968 0.09310 0.14813 ++ {0.0} {} {} 120.22332 0.69104 1.12898 ++ {0.0} {} 2.78455448151 0.2148 0 {} 0 0 0 130 {} 7.89018 0.03123 0.04864 ++ {0.0} {} {} 31.43748 0.74773 1.67024 ++ {0.0} {} {} 120.08917 0.44871 0.75841 ++ {0.0} {} -6.37256002426 -0.2835 0 {} 0 0 0 131 {} 8.40172 0.03447 0.09769 ++ {0.0} {} {} 30.12865 1.28459 1.83512 ++ {0.0} {} {} 120.13989 0.61090 1.48622 ++ {0.0} {} -52.8241195679 -0.8117 0 {} 0 0 0 132 {} 8.39663 0.04104 0.05327 ++ {0.0} {} {} 63.19531 0.90875 1.25570 ++ {0.0} {} {} 120.00686 0.47688 0.63426 ++ {0.0} {} 3.16405391693 0.1311 0 {} 0 0 0 133 {} 8.31317 0.02239 0.01308 ++ {0.0} {} {} 60.91610 0.64050 0.29850 ++ {0.0} {} {} 119.73878 0.06112 0.02849 ++ {0.0} {} -0.289828032255 -0.0573 0 {} 0 0 0 134 {} 7.93068 0.02783 0.03390 ++ {0.0} {} {} 60.08012 0.44952 1.21949 ++ {0.0} {} {} 120.00480 0.10035 0.12243 ++ {0.0} {} -1.128657341 -0.1126 0 {} 0 0 0 135 {} 7.77645 0.01962 0.01155 ++ {0.0} {} {} 60.09037 0.95691 0.50498 ++ {0.0} {} {} 120.03985 0.04967 0.02621 ++ {0.0} {} -0.187702015042 -0.0597 0 {} 0 0 0 136 {} 8.06979 0.01948 0.01433 ++ {0.0} {} {} 59.48243 0.75875 0.54371 ++ {0.0} {} {} 119.76376 0.09030 0.06471 ++ {0.0} {} -0.329922258854 -0.0684 0 {} 0 0 0 137 {} 7.90229 0.02645 0.02979 ++ {0.0} {} {} 58.62214 0.86969 1.07334 ++ {0.0} {} {} 120.05380 0.03501 0.04321 ++ {0.0} {} -1.71222710609 -0.1147 0 {} 0 0 0 138 {} 7.78055 0.02811 0.01189 ++ {0.0} {} {} 58.11701 0.98217 0.28759 ++ {0.0} {} {} 120.03942 0.04980 0.01458 ++ {0.0} {} -0.136942923069 -0.0514 0 {} 0 0 0 139 {} 8.21198 0.03294 0.00728 ++ {0.0} {} {} 56.86016 0.64510 0.08526 ++ {0.0} {} {} 119.99641 0.08667 0.01145 ++ {0.0} {} -0.177170693874 -0.0470 0 {} 0 0 0 140 {} 8.39986 0.04613 0.08768 ++ {0.0} {} {} 56.38484 0.67500 1.33071 ++ {0.0} {} {} 120.02647 0.47442 0.87886 ++ {0.0} {} 12.9491043091 0.3062 0 {} 0 0 0 141 {} 7.92498 0.02917 0.02251 ++ {0.0} {} {} 35.43430 0.98207 0.69575 ++ {0.0} {} {} 120.02389 0.07127 0.05049 ++ {0.0} {} 0.454669833183 0.0680 0 {} 0 0 0 142 {} 7.95722 0.02990 0.00099 ++ {0.0} {} {} 32.65583 1.00272 0.01635 ++ {0.0} {} {} 119.91753 0.30048 0.00490 ++ {0.0} {} 0.044273737818 0.0443 0 {} 0 0 0 143 {} 8.20995 0.03209 0.01095 ++ {0.0} {} {} 30.12341 0.91591 0.20495 ++ {0.0} {} {} 119.99438 0.09582 0.02144 ++ {0.0} {} 0.135950177908 0.0494 0 {} 0 0 0 144 {} 7.92331 0.03147 0.00556 ++ {0.0} {} {} 30.11556 0.80621 0.14815 ++ {0.0} {} {} 120.06027 0.02335 0.00429 ++ {0.0} {} 0.0950151234865 0.0484 0 {} 0 0 0 145 {} 8.22418 0.03011 0.02558 ++ {0.0} {} {} 62.34689 0.71751 0.56364 ++ {0.0} {} {} 119.66531 0.05542 0.04353 ++ {0.0} {} -0.526807069778 -0.0723 0 {} 0 0 0 146 {} 8.06907 0.03462 0.04218 ++ {0.0} {} {} 56.03657 0.77423 1.05313 ++ {0.0} {} {} 119.39253 0.47716 0.64905 ++ {0.0} {} 2.92053604126 0.1373 0 {} 0 0 0 147 {} 8.28264 0.02600 0.02024 ++ {0.0} {} {} 54.57269 0.72633 0.50863 ++ {0.0} {} {} 119.37045 0.03041 0.02130 ++ {0.0} {} -0.387112230062 -0.0676 0 {} 0 0 0 148 {} 8.06810 0.03555 0.03621 ++ {0.0} {} {} 45.62167 0.98060 1.00577 ++ {0.0} {} {} 119.41973 0.48974 0.50232 ++ {0.0} {} 1.78941500187 0.0901 0 {} 0 0 0 149 {} 8.38545 0.03226 0.05510 ++ {0.0} {} {} 38.70845 0.84920 1.53208 ++ {0.0} {} {} 119.63473 0.49809 0.86818 ++ {0.0} {} -4.77586841583 -0.2390 0 {} 0 0 0 150 {} 7.76864 0.03035 0.07276 ++ {0.0} {} {} 60.13058 0.51923 2.08229 ++ {0.0} {} {} 119.22458 0.52111 1.24124 ++ {0.0} {} 19.4513301849 0.7354 0 {} 0 0 0 151 {} 8.55468 0.03919 0.08344 ++ {0.0} {} {} 58.95986 0.71891 1.63632 ++ {0.0} {} {} 119.27343 0.46681 0.94805 ++ {0.0} {} 12.1799488068 0.3908 0 {} 0 0 0 152 {} 7.91916 0.07659 0.19240 ++ {0.0} {} {} 59.02514 0.84312 2.64980 ++ {0.0} {} {} 119.22727 0.53480 1.33219 ++ {0.0} {} 154.321334839 2.1532 0 {} 0 0 0 153 {} 7.89431 0.04320 0.20290 ++ {0.0} {} {} 58.75951 0.95193 1.35991 ++ {0.0} {} {} 119.21534 0.55471 1.34875 ++ {0.0} {} 133.601898193 2.1681 0 {} 0 0 0 154 {} 7.77318 0.03969 0.09611 ++ {0.0} {} {} 58.32973 0.46543 2.07019 ++ {0.0} {} {} 119.21346 0.53785 1.24116 ++ {0.0} {} 23.6068286896 0.6985 0 {} 0 0 0 155 {} 8.20878 0.03617 0.08035 ++ {0.0} {} {} 56.88548 0.68476 1.77542 ++ {0.0} {} {} 119.10740 0.54923 1.24166 ++ {0.0} {} 18.8412914276 0.6015 0 {} 0 0 0 156 {} 7.51266 0.02845 0.02600 ++ {0.0} {} {} 55.62733 1.11641 1.00219 ++ {0.0} {} {} 119.24206 0.15884 0.14132 ++ {0.0} {} -0.638523221016 -0.0791 0 {} 0 0 0 157 {} 7.92300 0.03183 0.06148 ++ {0.0} {} {} 41.73893 0.78347 1.57197 ++ {0.0} {} {} 119.15302 0.61592 1.16835 ++ {0.0} {} -6.64308786392 -0.3480 0 {} 0 0 0 158 {} 7.76869 0.03114 0.06711 ++ {0.0} {} {} 39.09587 0.94488 1.90205 ++ {0.0} {} {} 119.22153 0.52601 1.18433 ++ {0.0} {} -9.84178352356 -0.4665 0 {} 0 0 0 159 {} 7.92247 0.03208 0.07471 ++ {0.0} {} {} 35.42729 0.76815 1.09736 ++ {0.0} {} {} 119.15380 0.62938 1.22435 ++ {0.0} {} -16.4506626129 -0.7665 0 {} 0 0 0 160 {} 7.77321 0.03782 0.08996 ++ {0.0} {} {} 32.76385 0.82366 1.85653 ++ {0.0} {} {} 119.20714 0.55287 1.21279 ++ {0.0} {} -13.2161769867 -0.5385 0 {} 0 0 0 161 {} 8.20898 0.03634 0.09637 ++ {0.0} {} {} 30.09957 1.06717 1.94079 ++ {0.0} {} {} 119.08070 0.53507 1.22218 ++ {0.0} {} -19.7588424683 -0.5960 0 {} 0 0 0 162 {} 7.91931 0.03918 0.11770 ++ {0.0} {} {} 30.12957 1.04026 1.50528 ++ {0.0} {} {} 119.23258 0.52372 1.30681 ++ {0.0} {} -31.3910560608 -1.1917 0 {} 0 0 0 163 {} 7.76817 0.02895 0.04186 ++ {0.0} {} {} 30.14365 0.93187 1.40953 ++ {0.0} {} {} 119.20971 0.59092 0.96219 ++ {0.0} {} -2.86867213249 -0.1664 0 {} 0 0 0 164 {} 8.55525 0.03841 0.07465 ++ {0.0} {} {} 28.14222 1.16026 1.82345 ++ {0.0} {} {} 119.27152 0.47219 0.78590 ++ {0.0} {} -7.88935804367 -0.2617 0 {} 0 0 0 165 {} 7.89134 0.02806 0.06958 ++ {0.0} {} {} 27.81877 0.71815 1.75925 ++ {0.0} {} {} 119.22430 0.53913 1.31094 ++ {0.0} {} -20.3871936798 -1.0421 0 {} 0 0 0 166 {} 7.89261 0.02774 0.02828 ++ {0.0} {} {} 26.46243 0.14799 0.15132 ++ {0.0} {} {} 119.20307 0.57616 0.58911 ++ {0.0} {} 1.11882698536 0.0898 0 {} 0 0 0 167 {} 8.22005 0.03542 0.10295 ++ {0.0} {} {} 62.32615 0.70128 1.92568 ++ {0.0} {} {} 118.80019 0.64533 1.32641 ++ {0.0} {} 26.9658718109 1.0666 0 {} 0 0 0 168 {} 8.38031 0.02378 0.01755 ++ {0.0} {} {} 59.71255 1.07533 0.67210 ++ {0.0} {} {} 118.71947 0.13903 0.08689 ++ {0.0} {} -0.358595311642 -0.0639 0 {} 0 0 0 169 {} 8.22038 0.03549 0.11559 ++ {0.0} {} {} 45.19735 0.83259 1.87188 ++ {0.0} {} {} 118.80029 0.64254 1.34741 ++ {0.0} {} 35.5764312744 1.5884 0 {} 0 0 0 170 {} 8.22248 0.03687 0.04212 ++ {0.0} {} {} 43.97213 0.08840 0.10027 ++ {0.0} {} {} 118.80894 0.65081 0.73840 ++ {0.0} {} -0.986593127251 -0.1014 0 {} 0 0 0 171 {} 7.95093 0.03134 0.04817 ++ {0.0} {} {} 39.05384 0.80750 1.43849 ++ {0.0} {} {} 118.94832 0.46752 0.72425 ++ {0.0} {} -3.88533043861 -0.1948 0 {} 0 0 0 172 {} 8.22011 0.03719 0.10019 ++ {0.0} {} {} 32.75337 0.87546 1.90163 ++ {0.0} {} {} 118.80656 0.65195 1.30647 ++ {0.0} {} -21.8736858368 -0.7854 0 {} 0 0 0 173 {} 7.95185 0.03199 0.07152 ++ {0.0} {} {} 32.64849 1.01636 1.56737 ++ {0.0} {} {} 118.96204 0.45177 1.12564 ++ {0.0} {} -17.9405250549 -0.7512 0 {} 0 0 0 174 {} 7.91771 0.03427 0.03677 ++ {0.0} {} {} 58.92492 1.07438 1.53483 ++ {0.0} {} {} 118.31786 0.06271 0.07304 ++ {0.0} {} -1.39118516445 -0.1051 0 {} 0 0 0 175 {} 7.88336 0.01290 0.03106 ++ {0.0} {} {} 58.68069 1.00888 1.12751 ++ {0.0} {} {} 118.33027 0.08772 0.09753 ++ {0.0} {} -0.772333920002 -0.0989 0 {} 0 0 0 176 {} 8.77231 0.02002 0.01943 ++ {0.0} {} {} 58.07759 0.82862 0.79063 ++ {0.0} {} {} 118.60009 0.05429 0.05180 ++ {0.0} {} -0.803167879581 -0.0840 0 {} 0 0 0 177 {} 8.28413 0.02545 0.02839 ++ {0.0} {} {} 57.22952 0.74761 0.85590 ++ {0.0} {} {} 118.58334 0.06047 0.06923 ++ {0.0} {} -0.674309372902 -0.1027 0 {} 0 0 0 178 {} 7.93092 0.02567 0.03446 ++ {0.0} {} {} 55.62673 0.98268 1.32657 ++ {0.0} {} {} 118.51630 0.20298 0.26997 ++ {0.0} {} -1.10068702698 -0.1311 0 {} 0 0 0 179 {} 7.50827 0.03341 0.08783 ++ {0.0} {} {} 55.65276 1.08518 1.72429 ++ {0.0} {} {} 118.28043 0.44355 1.17414 ++ {0.0} {} 38.7387619019 1.4150 0 {} 0 0 0 180 {} 8.28208 0.01925 0.01384 ++ {0.0} {} {} 37.49514 0.72267 0.47451 ++ {0.0} {} {} 118.60658 0.03591 0.02358 ++ {0.0} {} 0.315783828497 0.0654 0 {} 0 0 0 181 {} 7.92775 0.02795 0.02824 ++ {0.0} {} {} 35.88495 0.81685 0.82595 ++ {0.0} {} {} 118.37663 0.09291 0.09394 ++ {0.0} {} 0.693901538849 0.0888 0 {} 0 0 0 182 {} 7.91899 0.04831 0.00737 ++ {0.0} {} {} 30.13686 1.10475 0.18984 ++ {0.0} {} {} 118.31862 0.05606 0.00938 ++ {0.0} {} 0.0937707424164 0.0479 0 {} 0 0 0 183 {} 7.50847 0.03317 0.09080 ++ {0.0} {} {} 28.95569 0.81172 1.15959 ++ {0.0} {} {} 118.28372 0.44563 1.06817 ++ {0.0} {} -23.2473449707 -0.7925 0 {} 0 0 0 184 {} 7.51231 0.03213 0.02249 ++ {0.0} {} {} 27.48937 0.23740 0.15727 ++ {0.0} {} {} 118.27256 0.44807 0.29684 ++ {0.0} {} 0.442365288734 0.0657 0 {} 0 0 0 185 {} 8.02024 0.03245 0.05130 ++ {0.0} {} {} 61.01851 0.76589 1.43461 ++ {0.0} {} {} 118.20415 0.49120 0.79118 ++ {0.0} {} 5.00011539459 0.2256 0 {} 0 0 0 186 {} 8.23441 0.03189 0.07925 ++ {0.0} {} {} 59.14125 0.96595 1.86409 ++ {0.0} {} {} 118.13300 0.55590 1.27259 ++ {0.0} {} 22.2388343811 0.6669 0 {} 0 0 0 187 {} 8.02174 0.03144 0.07231 ++ {0.0} {} {} 59.16961 0.94842 1.89202 ++ {0.0} {} {} 118.20532 0.47010 1.17391 ++ {0.0} {} 20.2472438812 0.8163 0 {} 0 0 0 188 {} 8.23386 0.02995 0.04979 ++ {0.0} {} {} 54.87542 0.68789 1.21307 ++ {0.0} {} {} 118.11821 0.58971 1.08433 ++ {0.0} {} 5.35235357285 0.2459 0 {} 0 0 0 189 {} 8.01989 0.03143 0.04171 ++ {0.0} {} {} 32.75320 0.83299 1.24637 ++ {0.0} {} {} 118.20641 0.45259 0.63849 ++ {0.0} {} -2.86460185051 -0.1490 0 {} 0 0 0 190 {} 8.23371 0.03154 0.06425 ++ {0.0} {} {} 29.29572 0.75089 1.61870 ++ {0.0} {} {} 118.13017 0.57753 1.21499 ++ {0.0} {} -13.2842502594 -0.3760 0 {} 0 0 0 191 {} 8.02097 0.03187 0.06757 ++ {0.0} {} {} 28.28330 0.78100 1.74774 ++ {0.0} {} {} 118.20410 0.47588 1.06365 ++ {0.0} {} -11.7444219589 -0.4647 0 {} 0 0 0 192 {} 8.23649 0.03607 0.04802 ++ {0.0} {} {} 18.62823 0.91467 1.29328 ++ {0.0} {} {} 118.12032 0.57290 0.78900 ++ {0.0} {} -2.64884829521 -0.1410 0 {} 0 0 0 193 {} 8.76408 0.03410 0.05657 ++ {0.0} {} {} 60.87715 0.67853 1.27228 ++ {0.0} {} {} 117.76947 0.56271 1.10358 ++ {0.0} {} 5.86453962326 0.2685 0 {} 0 0 0 194 {} 8.27513 0.03278 0.08529 ++ {0.0} {} {} 59.75933 0.86425 1.84991 ++ {0.0} {} {} 117.78141 0.56237 1.18602 ++ {0.0} {} 17.7090244293 0.3543 0 {} 0 0 0 195 {} 7.92733 0.03151 0.06497 ++ {0.0} {} {} 58.65313 1.00108 1.79800 ++ {0.0} {} {} 117.58862 0.44338 0.78081 ++ {0.0} {} 7.67220544815 0.3675 0 {} 0 0 0 196 {} 8.76460 0.03306 0.12689 ++ {0.0} {} {} 58.05289 0.78365 1.83262 ++ {0.0} {} {} 117.77831 0.53894 1.29072 ++ {0.0} {} 22.9789333344 1.0463 0 {} 0 0 0 197 {} 7.68027 0.02089 0.02421 ++ {0.0} {} {} 58.08730 0.83411 0.99433 ++ {0.0} {} {} 117.85951 0.06337 0.07554 ++ {0.0} {} -0.685519516468 -0.1087 0 {} 0 0 0 198 {} 8.27608 0.03160 0.08234 ++ {0.0} {} {} 57.27737 0.74546 1.87863 ++ {0.0} {} {} 117.76028 0.57808 1.32073 ++ {0.0} {} 27.7485275269 1.4338 0 {} 0 0 0 199 {} 7.92536 0.02884 0.08820 ++ {0.0} {} {} 55.63001 0.95749 1.93479 ++ {0.0} {} {} 117.59047 0.45815 1.20398 ++ {0.0} {} 31.4521770477 1.5099 0 {} 0 0 0 200 {} 8.27623 0.03126 0.07656 ++ {0.0} {} {} 37.49763 0.79165 1.13093 ++ {0.0} {} {} 117.76558 0.56267 1.29941 ++ {0.0} {} -22.054441452 -1.1387 0 {} 0 0 0 201 {} 8.76411 0.03280 0.05971 ++ {0.0} {} {} 37.11401 1.04361 1.78619 ++ {0.0} {} {} 117.76588 0.55844 1.08243 ++ {0.0} {} -5.22413063049 -0.2723 0 {} 0 0 0 202 {} 7.92578 0.02780 0.07477 ++ {0.0} {} {} 36.01801 0.81835 1.16907 ++ {0.0} {} {} 117.58883 0.45713 1.17308 ++ {0.0} {} -26.8298931122 -1.2089 0 {} 0 0 0 203 {} 8.76463 0.03289 0.07575 ++ {0.0} {} {} 32.02792 0.84680 1.97796 ++ {0.0} {} {} 117.77574 0.54877 1.24019 ++ {0.0} {} -12.840215683 -0.5652 0 {} 0 0 0 204 {} 8.27467 0.03436 0.06199 ++ {0.0} {} {} 29.67289 0.97755 1.53860 ++ {0.0} {} {} 117.80199 0.56330 0.97028 ++ {0.0} {} -6.90331888199 -0.1985 0 {} 0 0 0 205 {} 7.68209 0.02890 0.02422 ++ {0.0} {} {} 29.55106 0.89170 0.70912 ++ {0.0} {} {} 117.85894 0.08298 0.06599 ++ {0.0} {} 0.529860317707 0.0729 0 {} 0 0 0 206 {} 7.92692 0.02862 0.05085 ++ {0.0} {} {} 27.81218 0.67558 1.06441 ++ {0.0} {} {} 117.56468 0.44002 0.69327 ++ {0.0} {} -4.25643539429 -0.2069 0 {} 0 0 0 207 {} 8.01721 0.03937 0.00580 ++ {0.0} {} {} 59.23566 0.79407 0.10757 ++ {0.0} {} {} 117.24937 0.10612 0.01438 ++ {0.0} {} -0.0924410969019 -0.0471 0 {} 0 0 0 208 {} 8.75571 0.02975 0.01341 ++ {0.0} {} {} 58.03562 0.78154 0.32017 ++ {0.0} {} {} 116.88927 0.08612 0.03528 ++ {0.0} {} -0.256174176931 -0.0552 0 {} 0 0 0 209 {} 7.67574 0.03437 0.11841 ++ {0.0} {} {} 58.08534 0.98710 1.79282 ++ {0.0} {} {} 117.00027 0.62091 1.31396 ++ {0.0} {} 28.4603462219 1.3653 0 {} 0 0 0 210 {} 8.26838 0.02230 0.01771 ++ {0.0} {} {} 57.30309 0.74525 0.56372 ++ {0.0} {} {} 116.88326 0.09107 0.06888 ++ {0.0} {} -0.415706425905 -0.0706 0 {} 0 0 0 211 {} 7.67578 0.03398 0.07105 ++ {0.0} {} {} 55.62069 0.95287 1.81369 ++ {0.0} {} {} 117.00156 0.60686 1.15332 ++ {0.0} {} 7.66984796524 0.3870 0 {} 0 0 0 212 {} 8.27189 0.03372 0.01854 ++ {0.0} {} {} 37.51291 0.83017 0.34109 ++ {0.0} {} {} 116.87022 0.06087 0.02501 ++ {0.0} {} 0.281321644783 0.0553 0 {} 0 0 0 213 {} 7.67566 0.03346 0.06245 ++ {0.0} {} {} 35.99772 0.80597 1.81128 ++ {0.0} {} {} 117.00011 0.62556 1.13491 ++ {0.0} {} -6.32188415527 -0.3094 0 {} 0 0 0 214 {} 7.67564 0.03413 0.09150 ++ {0.0} {} {} 29.55029 0.86580 1.23686 ++ {0.0} {} {} 116.99970 0.62542 1.28306 ++ {0.0} {} -17.8059940338 -0.8500 0 {} 0 0 0 215 {} 8.03335 0.02168 0.02166 ++ {0.0} {} {} 55.98139 0.72235 0.72148 ++ {0.0} {} {} 116.58063 0.56199 0.56132 ++ {0.0} {} -1.01402401924 -0.0877 0 {} 0 0 0 216 {} 8.03196 0.02016 0.00186 ++ {0.0} {} {} 42.37495 0.71554 0.05398 ++ {0.0} {} {} 116.53033 0.47341 0.03571 ++ {0.0} {} 0.0456337481737 0.0456 0 {} 0 0 0 217 {} 8.51319 0.04476 0.02935 ++ {0.0} {} {} 63.85434 0.51878 0.32635 ++ {0.0} {} {} 116.11285 0.43482 0.27353 ++ {0.0} {} -1.07310497761 -0.0641 0 {} 0 0 0 218 {} 7.66561 0.02451 0.02044 ++ {0.0} {} {} 58.03320 0.73501 0.56014 ++ {0.0} {} {} 116.15321 0.07208 0.05493 ++ {0.0} {} -0.375002503395 -0.0709 0 {} 0 0 0 219 {} 8.52181 0.04170 0.06361 ++ {0.0} {} {} 58.54485 0.76292 1.00555 ++ {0.0} {} {} 116.05739 0.47165 0.62165 ++ {0.0} {} 3.31228470802 0.1288 0 {} 0 0 0 220 {} 7.42611 0.02487 0.02165 ++ {0.0} {} {} 56.34277 0.74941 0.61122 ++ {0.0} {} {} 115.72014 0.04895 0.03992 ++ {0.0} {} -0.455699831247 -0.0742 0 {} 0 0 0 221 {} 7.42437 0.03058 0.01141 ++ {0.0} {} {} 30.55318 1.01632 0.13304 ++ {0.0} {} {} 115.72792 0.03945 0.00516 ++ {0.0} {} 0.134223103523 0.0470 0 {} 0 0 0 222 {} 8.12014 0.02246 0.02012 ++ {0.0} {} {} 61.80594 0.77176 0.16260 ++ {0.0} {} {} 115.14410 0.55424 0.11677 ++ {0.0} {} 0.177280515432 0.0491 0 {} 0 0 0 223 {} 8.03132 0.01960 0.00151 ++ {0.0} {} {} 55.94804 0.70322 0.04462 ++ {0.0} {} {} 115.08610 0.43042 0.02731 ++ {0.0} {} 0.0453511551023 0.0454 0 {} 0 0 0 224 {} 7.92376 0.03403 0.00668 ++ {0.0} {} {} 52.26361 0.80822 0.08732 ++ {0.0} {} {} 115.14647 0.53876 0.05821 ++ {0.0} {} 0.046420186758 0.0464 0 {} 0 0 0 225 {} 7.41693 0.03338 0.06303 ++ {0.0} {} {} 58.10340 0.87835 1.81749 ++ {0.0} {} {} 114.88954 0.55729 1.16188 ++ {0.0} {} 7.94462919235 0.3570 0 {} 0 0 0 226 {} 7.41751 0.03478 0.09736 ++ {0.0} {} {} 56.34935 0.69145 1.89678 ++ {0.0} {} {} 114.89382 0.54450 1.29111 ++ {0.0} {} 24.0404701233 1.0643 0 {} 0 0 0 227 {} 7.41749 0.03409 0.08821 ++ {0.0} {} {} 30.50742 0.86746 1.23923 ++ {0.0} {} {} 114.89348 0.54808 1.27298 ++ {0.0} {} -20.4050655365 -0.8306 0 {} 0 0 0 228 {} 8.36944 0.02826 0.00387 ++ {0.0} {} {} 25.00096 0.65757 0.08969 ++ {0.0} {} {} 114.78176 0.61367 0.08370 ++ {0.0} {} 0.0897025465965 0.0471 0 {} 0 0 0 229 {} 8.05125 0.02931 0.03975 ++ {0.0} {} {} 62.70614 0.42499 0.57027 ++ {0.0} {} {} 114.13832 0.64067 0.87495 ++ {0.0} {} -1.31522643566 -0.1334 0 {} 0 0 0 230 {} 8.05046 0.03537 0.06959 ++ {0.0} {} {} 61.56368 0.60618 1.08658 ++ {0.0} {} {} 114.11132 0.61029 1.17962 ++ {0.0} {} 6.97189474106 0.4233 0 {} 0 0 0 231 {} 8.05155 0.03089 0.05509 ++ {0.0} {} {} 58.17369 0.94521 1.69725 ++ {0.0} {} {} 114.12590 0.64279 1.15524 ++ {0.0} {} 5.15771484375 0.3050 0 {} 0 0 0 232 {} 7.41093 0.03280 0.01698 ++ {0.0} {} {} 56.36891 0.67942 0.25617 ++ {0.0} {} {} 114.00799 0.07331 0.02764 ++ {0.0} {} -0.290042251348 -0.0541 0 {} 0 0 0 233 {} 8.04951 0.02620 0.02655 ++ {0.0} {} {} 46.33976 0.57675 0.58504 ++ {0.0} {} {} 114.13103 0.71621 0.72612 ++ {0.0} {} 1.24799489975 0.0891 0 {} 0 0 0 234 {} 8.05151 0.03158 0.05118 ++ {0.0} {} {} 41.18658 1.00840 1.69192 ++ {0.0} {} {} 114.12639 0.66774 1.12591 ++ {0.0} {} -4.66720199585 -0.2263 0 {} 0 0 0 235 {} 7.65118 0.02200 0.01966 ++ {0.0} {} {} 34.62764 0.93962 0.81420 ++ {0.0} {} {} 111.93839 0.63694 0.55192 ++ {0.0} {} 0.831474125385 0.0775 0 {} 0 0 0 236 {} 7.65155 0.01904 0.00095 ++ {0.0} {} {} 27.98626 0.91541 0.04198 ++ {0.0} {} {} 111.93141 0.58620 0.02688 ++ {0.0} {} -0.0449429154396 -0.0449 0 {} 0 0 0 237 {} 6.90164 0.05200 0.04693 ++ {0.0} {} {} 34.29943 1.50201 1.28664 ++ {0.0} {} {} 111.60728 0.79086 0.61187 ++ {0.0} {} 2.71424818039 0.0723 0 {} 0 0 0 238 {} 7.50580 0.04263 0.04144 ++ {0.0} {} {} 33.83605 0.66573 0.64409 ++ {0.0} {} {} 111.63992 0.65895 0.63753 ++ {0.0} {} 1.805778265 0.0851 0 {} 0 0 0 239 {} 6.85394 0.00793 0.00638 ++ {0.0} {} {} 33.78445 0.73023 0.25071 ++ {0.0} {} {} 111.72032 0.48605 0.16688 ++ {0.0} {} 0.301823079586 0.0530 0 {} 0 0 0 240 {} 6.90372 0.03477 0.00839 ++ {0.0} {} {} 28.00980 0.86924 0.25863 ++ {0.0} {} {} 111.60638 0.69868 0.20789 ++ {0.0} {} -0.187311559916 -0.0516 0 {} 0 0 0 241 {} 8.41198 0.03574 0.02825 ++ {0.0} {} {} 45.06367 0.80163 0.62376 ++ {0.0} {} {} 111.34379 0.09773 0.07605 ++ {0.0} {} -0.622056603432 -0.0719 0 {} 0 0 0 242 {} 8.41418 0.04330 0.06436 ++ {0.0} {} {} 56.97467 0.68033 1.01460 ++ {0.0} {} {} 110.44722 0.49732 0.74167 ++ {0.0} {} 4.32840871811 0.1727 0 {} 0 0 0 243 {} 8.41240 0.04306 0.13012 ++ {0.0} {} {} 45.08837 0.84862 1.90053 ++ {0.0} {} {} 110.44396 0.50695 1.26515 ++ {0.0} {} 26.2021579742 0.9824 0 {} 0 0 0 244 {} 8.41212 0.03408 0.04750 ++ {0.0} {} {} 30.61626 1.02963 1.45870 ++ {0.0} {} {} 110.44614 0.53124 0.71800 ++ {0.0} {} -2.98976659775 -0.1354 0 {} 0 0 0 245 {} 7.16761 0.02114 0.01236 ++ {0.0} {} {} 34.15116 0.89850 0.48862 ++ {0.0} {} {} 109.88026 0.53897 0.29310 ++ {0.0} {} 0.264895915985 0.0603 0 {} 0 0 0 246 {} 8.31173 0.03033 0.01752 ++ {0.0} {} {} 45.30416 0.68575 0.29157 ++ {0.0} {} {} 108.71049 0.80477 0.35053 ++ {0.0} {} 0.43832436204 0.0558 0 {} 0 0 0 247 {} 8.03527 0.04850 0.10877 ++ {0.0} {} {} 45.63920 0.88879 1.66098 ++ {0.0} {} {} 108.12612 0.46486 0.91968 ++ {0.0} {} 11.815905571 0.3790 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 . 'not observed' 1503.349 Hz . . . 4.788 . . 31014 9 2 . . C 13 C-aromatic . 'not observed' 4523.036 Hz . . . 125.083 . . 31014 9 stop_ save_