Content for NMR-STAR saveframe, "hncaco"
save_hncaco
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode hncaco
_Spectral_peak_list.Entry_ID 27477
_Spectral_peak_list.ID 3
_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.Experiment_ID 13
_Spectral_peak_list.Experiment_name '3D HN(CA)CO'
_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 .
_Spectral_peak_list.Assigned_chem_shift_list_label .
_Spectral_peak_list.Details .
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
label dataset sw sf
HN C13 N15
Itch-Clobe_hncaco.nv
3061.7199707 3770.10009766 1949.98303223
599.293029785 150.699996948 60.733001709
HN.L HN.P HN.W HN.B HN.E HN.J HN.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
0 {903.H} 8.12950 0.02917 0.05282 ++ {0.0} {i.hn} {903.C} 181.16055 0.57003 1.05236 ++ {0.0} {i.c} {903.N} 127.44682 0.49923 0.95676 ++ {0.0} {i.n} 0.0 13.8410 1 {} 0
1 {857.H} 9.43638 0.03992 0.05097 ++ {0.0} {i.hn} {857.C} 174.64610 0.65166 0.84787 ++ {0.0} {i.c} {857.N} 128.53401 0.50464 0.69813 ++ {0.0} {i.n} 0.0 1.8749 1 {} 0
2 {903.H} 8.13161 0.02682 0.04862 ++ {0.0} {i.hn} {902.C} 175.15048 0.59598 1.04349 ++ {0.0} {i-1.c} {903.N} 127.41598 0.47973 0.84265 ++ {0.0} {i.n} 0.0 4.7477 1 {} 0
3 {790.H} 8.76327 0.02756 0.03734 ++ {0.0} {i.hn} {790.C} 179.12091 0.67548 0.81127 ++ {0.0} {i.c} {790.N} 126.95852 0.48651 0.62693 ++ {0.0} {i.n} 0.0 1.6251 1 {} 0
4 {853.H} 8.51896 0.02663 0.03896 ++ {0.0} {i.hn} {853.C} 176.04005 0.65163 0.92776 ++ {0.0} {i.c} {853.N} 127.00516 0.48102 0.72215 ++ {0.0} {i.n} 0.0 2.3180 1 {} 0
5 {837.H} 8.28885 0.03271 0.05374 ++ {0.0} {i.hn} {837.C} 175.09984 0.66281 1.10481 ++ {0.0} {i.c} {837.N} 125.50327 0.48454 0.84090 ++ {0.0} {i.n} 0.0 4.3698 1 {} 0
6 {843.H} 9.35929 0.02992 0.04179 ++ {0.0} {i.hn} {843.C} 178.77255 0.66023 0.95019 ++ {0.0} {i.c} {843.N} 123.65488 0.50028 0.76241 ++ {0.0} {i.n} 0.0 2.4284 1 {} 0
7 {846.H} 9.03366 0.03499 0.04574 ++ {0.0} {i.hn} {846.c} 177.34608 0.77460 1.01429 ++ {0.0} {i.c} {846.N} 123.55804 0.47351 0.70202 ++ {0.0} {i.n} 0.0 2.2343 1 {} 0
8 {880.H} 8.29548 0.02929 0.04218 ++ {0.0} {i.hn} {880.c} 176.15846 0.66723 0.92519 ++ {0.0} {i.c} {880.N} 123.98853 0.46838 0.71259 ++ {0.0} {i.n} 0.0 2.4153 1 {} 0
9 {788.H} 8.40338 0.02450 0.03488 ++ {0.0} {i.hn} {788.C} 175.13802 0.63904 0.83428 ++ {0.0} {i.c} {788.N} 124.18850 0.62037 0.94843 ++ {0.0} {i.n} 0.0 2.4534 1 {} 0
10 {829.H} 8.78495 0.02919 0.04297 ++ {0.0} {i.hn} {829.C} 178.60249 0.57868 0.80372 ++ {0.0} {i-1,i.c} {829.N} 123.06736 0.46914 0.72984 ++ {0.0} {i.n} 0.0 2.6018 1 {} 0
11 {839.H} 8.68860 0.03132 0.06651 ++ {0.0} {i.hn} {839.C} 177.63139 0.73384 1.24761 ++ {0.0} {i.c} {839.N} 123.04977 0.47786 0.85610 ++ {0.0} {i.n} 0.0 5.5450 1 {} 0
12 {814.H} 8.20535 0.03411 0.04636 ++ {0.0} {i.hn} {814.C} 177.51698 0.61072 0.86139 ++ {0.0} {i-1,i.c} {814.N} 122.54699 0.50643 0.79982 ++ {0.0} {i.n} 0.0 2.7480 1 {} 0
13 {792.H} 7.87149 0.03341 0.04333 ++ {0.0} {i.hn} {792.C} 177.35139 0.49785 0.62117 ++ {0.0} {i.c} {792.N} 122.07059 0.51424 0.66350 ++ {0.0} {i.n} 0.0 1.6288 1 {} 0
14 {830.H} 8.82905 0.03798 0.05387 ++ {0.0} {i.hn} {830.C} 176.44802 0.55270 0.79194 ++ {0.0} {i.c} {830.N} 122.50072 0.46759 0.73399 ++ {0.0} {i.n} 0.0 2.6868 1 {} 0
15 {787.H} 8.38298 0.02601 0.04834 ++ {0.0} {i.hn} {787.C} 176.33333 0.76177 1.41699 ++ {0.0} {i.c} {787.N} 122.96251 0.51046 0.93495 ++ {0.0} {i.n} 0.0 6.8643 1 {} 0
16 {812.H} 8.46789 0.04515 0.05977 ++ {0.0} {i.hn} {812.C} 176.27711 0.63849 0.83901 ++ {0.0} {i-1,i.c} {812.N} 122.50071 0.46687 0.69658 ++ {0.0} {i.n} 0.0 2.2758 1 {} 0
17 {799.H} 8.33023 0.02767 0.04342 ++ {0.0} {i.hn} {799.c} 176.08324 0.60171 0.89799 ++ {0.0} {i.c} {799.N} 121.53654 0.47891 0.78638 ++ {0.0} {i.n} 0.0 3.2294 1 {} 0
18 {883.H} 7.75232 0.03033 0.03914 ++ {0.0} {i.hn} {883.C} 175.85730 0.42700 0.58191 ++ {0.0} {i.c} {883.N} 122.03490 0.45167 0.63266 ++ {0.0} {i.n} 0.0 1.9290 1 {} 0
19 {797.H} 6.86025 0.03183 0.05183 ++ {0.0} {i.hn} {797.C} 176.69769 0.62257 1.00240 ++ {0.0} {i-1,i.c} {797.N} 121.53462 0.49023 0.86659 ++ {0.0} {i.n} 0.0 4.9768 1 {} 0
20 {787.H} 8.38522 0.02439 0.04172 ++ {0.0} {i.hn} {786.C} 175.41718 0.58146 0.83065 ++ {0.0} {i-1,i.c} {787.N} 122.95428 0.47102 0.78025 ++ {0.0} {i.n} 0.0 3.3656 1 {} 0
21 {786.H} 8.42655 0.03232 0.05286 ++ {0.0} {i.hn} {789.C} 175.45990 0.76377 1.27026 ++ {0.0} {i.c} {786.N} 122.17809 0.52399 0.96465 ++ {0.0} {i.n} 0.0 7.2690 1 {} 0
22 {854.H} 9.40190 0.03249 0.03935 ++ {0.0} {i.hn} {854.C} 173.82106 0.57974 0.69777 ++ {0.0} {i.c} {854.N} 123.01527 0.46531 0.59178 ++ {0.0} {i.n} 0.0 1.5875 1 {} 0
23 {855.H} 8.48525 0.03561 0.04429 ++ {0.0} {i.hn} {855.C} 172.37482 0.60654 0.74834 ++ {0.0} {i.c} {855.N} 121.54447 0.43864 0.60509 ++ {0.0} {i.n} 0.0 1.8630 1 {} 0
24 {828.H} 8.69906 0.02917 0.04412 ++ {0.0} {i.hn} {828.C} 180.55424 0.62019 0.88395 ++ {0.0} {i-1,i.c} {828.N} 121.01857 0.52411 0.82998 ++ {0.0} {i.n} 0.0 2.7763 1 {} 0
25 {822.H} 8.39723 0.03089 0.05203 ++ {0.0} {i.hn} {821.C} 177.16377 0.59089 0.92469 ++ {0.0} {i-1,i.c} {822.N} 119.54633 0.49270 0.85025 ++ {0.0} {i.n} 0.0 4.2142 1 {} 0
26 {823.H} 8.22385 0.03148 0.04248 ++ {0.0} {i.hn} {823.C} 179.06764 0.77315 0.96595 ++ {0.0} {i.c} {823.N} 120.21571 0.48081 0.68688 ++ {0.0} {i.n} 0.0 2.0232 1 {} 0
27 {890.H} 8.30052 0.02980 0.04869 ++ {0.0} {i.hn} {890.C} 178.93666 0.65767 0.96348 ++ {0.0} {i.c} {890.N} 119.45602 0.49459 0.79327 ++ {0.0} {i.n} 0.0 2.9186 1 {} 0
28 {826.H} 7.98207 0.03217 0.05060 ++ {0.0} {i.hn} {826.C} 179.12904 0.71907 1.10172 ++ {0.0} {i-1,i.c} {826.N} 120.01024 0.46497 0.80093 ++ {0.0} {i.n} 0.0 4.1665 1 {} 0
29 {893.H} 7.81320 0.02916 0.04753 ++ {0.0} {i.hn} {893.c} 179.64565 0.62539 0.99751 ++ {0.0} {i.c} {893.N} 120.02573 0.45408 0.76500 ++ {0.0} {i.n} 0.0 3.6667 1 {} 0
30 {824.H} 8.70157 0.03844 0.05415 ++ {0.0} {i.hn} {824.C} 178.41063 0.58545 0.87203 ++ {0.0} {i-1,i.c} {824.N} 120.03260 0.47395 0.74897 ++ {0.0} {i.n} 0.0 2.7543 1 {} 0
31 {811.H} 8.65068 0.02972 0.05243 ++ {0.0} {i.hn} {811.C} 177.18727 0.59144 0.87431 ++ {0.0} {i.c} {811.N} 119.48426 0.47908 0.76828 ++ {0.0} {i.n} 0.0 2.9168 1 {} 0
32 {895.H} 7.68855 0.03292 0.05326 ++ {0.0} {i.hn} {895.C} 177.37888 0.70037 0.94379 ++ {0.0} {i.c} {895.N} 120.96404 0.55198 0.87628 ++ {0.0} {i.n} 0.0 2.8026 1 {} 0
33 {793.H} 7.73643 0.03505 0.04242 ++ {0.0} {i.hn} {793.C} 177.47313 0.77528 0.96144 ++ {0.0} {i.c} {793.N} 119.53191 0.56024 0.78415 ++ {0.0} {i.n} 0.0 1.9256 1 {} 0
34 {785.H} 8.23760 0.02874 0.05378 ++ {0.0} {i.hn} {785.C} 175.89268 0.60363 1.14430 ++ {0.0} {i.c} {785.N} 120.01591 0.50280 0.97545 ++ {0.0} {i.n} 0.0 19.2823 1 {} 0
35 {900.H} 8.11528 0.02650 0.05303 ++ {0.0} {i.hn} {900.C} 176.49265 0.62858 1.12588 ++ {0.0} {i.c} {900.N} 120.03001 0.49511 0.94438 ++ {0.0} {i.n} 0.0 12.4878 1 {} 0
36 {885.H} 7.59739 0.03312 0.04862 ++ {0.0} {i.hn} {885.C} 176.13623 0.62091 0.81571 ++ {0.0} {i.c} {885.N} 119.98495 0.52283 0.75264 ++ {0.0} {i.n} 0.0 2.0627 1 {} 0
37 {806.H} 7.75473 0.03001 0.05076 ++ {0.0} {i.hn} {806.C} 175.92776 0.66658 1.03292 ++ {0.0} {i.c} {806.N} 120.02864 0.48642 0.85607 ++ {0.0} {i.n} 0.0 4.8161 1 {} 0
38 {845.H} 6.68413 0.03325 0.05259 ++ {0.0} {i.hn} {845.c} 176.67764 0.60570 0.96979 ++ {0.0} {i-1,i.c} {845.N} 120.02998 0.50216 0.85658 ++ {0.0} {i.n} 0.0 3.9294 1 {} 0
39 {902.H} 8.16019 0.02635 0.05353 ++ {0.0} {i.hn} {902.c} 175.15688 0.59601 1.13599 ++ {0.0} {i.c} {902.N} 120.01297 0.49883 0.96329 ++ {0.0} {i.n} 0.0 16.7729 1 {} 0
40 {856.H} 8.26511 0.03907 0.04307 ++ {0.0} {i.hn} {856.C} 174.64958 0.61417 0.66408 ++ {0.0} {i.c} {856.N} 119.54578 0.49978 0.56289 ++ {0.0} {i.n} 0.0 1.3231 1 {} 0
41 {900.H} 8.11538 0.02406 0.03985 ++ {0.0} {i.hn} {899.C} 174.17303 0.58795 0.94925 ++ {0.0} {i-1.c} {900.N} 120.03090 0.48087 0.83211 ++ {0.0} {i.n} 0.0 4.2880 1 {} 0
42 {836.H} 7.75147 0.03201 0.05550 ++ {0.0} {i.hn} {836.C} 175.37729 0.64969 0.97133 ++ {0.0} {i-1,i.c} {836.N} 120.95171 0.46751 0.82806 ++ {0.0} {i.n} 0.0 5.0525 1 {} 0
43 {798.H} 8.88104 0.02917 0.03370 ++ {0.0} {i.hn} {798.c} 173.72989 0.59812 0.67015 ++ {0.0} {i.c} {798.N} 120.89380 0.44351 0.52641 ++ {0.0} {i.n} 0.0 1.4218 1 {} 0
44 {785.H} 8.23958 0.02462 0.04393 ++ {0.0} {i.hn} {784.C} 174.01932 0.57693 1.02292 ++ {0.0} {i-1.c} {785.N} 120.01602 0.50793 0.94727 ++ {0.0} {i.n} 0.0 8.5594 1 {} 0
45 {902.H} 8.16157 0.02606 0.04562 ++ {0.0} {i.hn} {901.C} 173.85451 0.63973 1.02532 ++ {0.0} {i-1.c} {902.N} 120.01873 0.50264 0.93429 ++ {0.0} {i.n} 0.0 8.1866 1 {} 0
46 {896.H} 7.76024 0.03356 0.04139 ++ {0.0} {i.hn} {895.C} 177.48219 0.63828 0.77163 ++ {0.0} {i-1,i.c} {896.N} 119.23787 0.47651 0.62003 ++ {0.0} {i.n} 0.0 1.6543 1 {} 0
47 {891.H} 8.36647 0.03502 0.05459 ++ {0.0} {i.hn} {891.C} 179.15860 0.58165 0.81471 ++ {0.0} {i.c} {891.N} 118.12517 0.50268 0.77630 ++ {0.0} {i.n} 0.0 2.5370 1 {} 0
48 {813.H} 8.09681 0.03858 0.05190 ++ {0.0} {i.hn} {813.C} 178.91409 0.55736 0.78577 ++ {0.0} {i-1,i.c} {813.N} 117.46294 0.46373 0.70850 ++ {0.0} {i.n} 0.0 2.4483 1 {} 0
49 {889.H} 7.89063 0.03745 0.05071 ++ {0.0} {i.hn} {889.C} 179.19586 0.57684 0.85819 ++ {0.0} {i.c} {889.N} 117.95872 0.51362 0.81516 ++ {0.0} {i.n} 0.0 2.7996 1 {} 0
50 {842.H} 9.44237 0.02550 0.03041 ++ {0.0} {i.hn} {842.C} 178.55898 0.60002 0.70736 ++ {0.0} {i.c} {842.N} 118.97530 0.46416 0.57959 ++ {0.0} {i.n} 0.0 1.5386 1 {} 0
51 {791.H} 8.34641 0.03528 0.05183 ++ {0.0} {i.hn} {791.C} 177.40819 0.56004 0.81096 ++ {0.0} {i.c} {791.N} 117.99535 0.44971 0.74430 ++ {0.0} {i.n} 0.0 3.3512 1 {} 0
52 {825.H} 8.30246 0.02705 0.04623 ++ {0.0} {i.hn} {825.C} 178.63445 0.67422 1.07924 ++ {0.0} {i.c} {825.N} 118.00938 0.48321 0.85025 ++ {0.0} {i.n} 0.0 4.8087 1 {} 0
53 {816.H} 8.03288 0.03461 0.04917 ++ {0.0} {i.hn} {815.C} 176.65077 0.63481 0.86267 ++ {0.0} {i-1,i.c} {816.N} 117.94433 0.53663 0.78752 ++ {0.0} {i.n} 0.0 2.1711 1 {} 0
54 {818.H} 7.82748 0.03278 0.05176 ++ {0.0} {i.hn} {818.C} 177.83400 0.81512 1.19833 ++ {0.0} {i.c} {818.N} 118.41566 0.47008 0.77646 ++ {0.0} {i.n} 0.0 3.3198 1 {} 0
55 {889.H} 7.88803 0.03044 0.04324 ++ {0.0} {i.hn} {888.C} 179.72849 0.62299 0.86553 ++ {0.0} {i-1.c} {889.N} 118.02756 0.49418 0.75390 ++ {0.0} {i.n} 0.0 2.4367 1 {} 0
56 {817.H} 7.82054 0.02924 0.05196 ++ {0.0} {i.hn} {817.C} 177.32059 0.59975 0.94777 ++ {0.0} {i.c} {817.N} 117.52579 0.50322 0.88692 ++ {0.0} {i.n} 0.0 4.8673 1 {} 0
57 {892.H} 7.68176 0.03529 0.05209 ++ {0.0} {i.hn} {892.C} 177.81326 0.59865 0.92490 ++ {0.0} {i.c} {892.N} 118.02342 0.47092 0.80290 ++ {0.0} {i.n} 0.0 3.9182 1 {} 0
58 {887.H} 8.40921 0.03228 0.04949 ++ {0.0} {i.hn} {887.C} 176.90274 0.65308 0.97572 ++ {0.0} {i.c} {887.N} 119.05589 0.52772 0.88297 ++ {0.0} {i.n} 0.0 3.5372 1 {} 0
59 {896.H} 7.76317 0.02975 0.05106 ++ {0.0} {i.hn} {896.C} 176.95201 0.64959 0.96619 ++ {0.0} {i-1,i.c} {896.N} 119.03736 0.49531 0.86179 ++ {0.0} {i.n} 0.0 4.4450 1 {} 0
60 {849.H} 8.83733 0.02758 0.04275 ++ {0.0} {i.hn} {849.C} 174.53435 0.61580 0.92574 ++ {0.0} {i.c} {849.N} 117.96849 0.50181 0.79834 ++ {0.0} {i.n} 0.0 2.8259 1 {} 0
61 {871.H} 8.23298 0.02977 0.05179 ++ {0.0} {i.hn} {871.C} 174.41756 0.58962 0.97620 ++ {0.0} {i.c} {871.N} 118.00458 0.49388 0.86846 ++ {0.0} {i.n} 0.0 4.7856 1 {} 0
62 {888.H} 7.64029 0.03490 0.05366 ++ {0.0} {i.hn} {888.C} 179.79694 0.61200 0.95226 ++ {0.0} {i.c} {888.N} 116.99110 0.46996 0.79941 ++ {0.0} {i.n} 0.0 3.8665 1 {} 0
63 {884.H} 8.38314 0.02830 0.04466 ++ {0.0} {i.hn} {884.c} 178.69456 0.66631 0.96775 ++ {0.0} {i.c} {884.N} 115.50441 0.52734 0.86781 ++ {0.0} {i.n} 0.0 3.2623 1 {} 0
64 {809.H} 6.42054 0.02932 0.04333 ++ {0.0} {i.hn} {809.C} 177.23001 0.64199 0.86776 ++ {0.0} {i.c} {809.N} 116.51287 0.49782 0.76663 ++ {0.0} {i.n} 0.0 2.5130 1 {} 0
65 {881.H} 9.14283 0.03872 0.05209 ++ {0.0} {i.hn} {881.C} 176.19127 0.60035 0.78657 ++ {0.0} {i.c} {881.N} 116.01197 0.46815 0.69647 ++ {0.0} {i.n} 0.0 2.2567 1 {} 0
66 {821.H} 8.80666 0.03385 0.04222 ++ {0.0} {i.hn} {821.C} 176.98445 0.77655 1.03117 ++ {0.0} {i.c} {821.N} 116.12879 0.52513 0.72897 ++ {0.0} {i.n} 0.0 1.8895 1 {} 0
67 {820.H} 7.44413 0.02639 0.03889 ++ {0.0} {i.hn} {820.C} 176.71181 0.61872 0.87640 ++ {0.0} {i.c} {820.N} 115.53641 0.49960 0.76800 ++ {0.0} {i.n} 0.0 2.4981 1 {} 0
68 {848.H} 8.58000 0.02859 0.04605 ++ {0.0} {i.hn} {848.C} 175.36285 0.68955 1.00256 ++ {0.0} {i.c} {848.N} 116.02031 0.50177 0.80325 ++ {0.0} {i.n} 0.0 2.8961 1 {} 0
69 {868.H} 8.59685 0.03895 0.06245 ++ {0.0} {i.hn} {868.C} 173.51897 0.62521 0.94888 ++ {0.0} {i.c} {868.N} 115.44374 0.49430 0.82003 ++ {0.0} {i.n} 0.0 3.3899 1 {} 0
70 {835.H} 8.17353 0.02959 0.03966 ++ {0.0} {i.hn} {835.C} 172.96880 0.67646 0.85629 ++ {0.0} {i.c} {835.N} 116.58486 0.58269 0.84185 ++ {0.0} {i.n} 0.0 2.0820 1 {} 0
71 {872.H} 7.30540 0.03872 0.04954 ++ {0.0} {i.hn} {872.C} 173.22745 0.60004 0.75829 ++ {0.0} {i-1,i.c} {872.N} 115.52929 0.49842 0.70370 ++ {0.0} {i.n} 0.0 1.9655 1 {} 0
72 {835.H} 8.17181 0.02890 0.03370 ++ {0.0} {i.hn} {834.C} 170.77234 0.65826 0.75883 ++ {0.0} {i-1.c} {835.N} 116.58123 0.41082 0.50152 ++ {0.0} {i.n} 0.0 1.4836 1 {} 0
73 {897.H} 7.78666 0.02753 0.03985 ++ {0.0} {i.hn} {896.C} 176.89522 0.64218 0.85065 ++ {0.0} {i-1.c} {897.N} 114.01965 0.52408 0.77620 ++ {0.0} {i.n} 0.0 2.2277 1 {} 0
74 {831.H} 8.01288 0.03987 0.04576 ++ {0.0} {i.hn} {831.C} 174.40288 0.61501 0.74103 ++ {0.0} {i-1,i.c} {831.N} 114.65799 0.57822 0.74080 ++ {0.0} {i.n} 0.0 1.6082 1 {} 0
75 {897.H} 7.78867 0.03301 0.05549 ++ {0.0} {i.hn} {897.C} 174.74486 0.59895 1.00349 ++ {0.0} {i.c} {897.N} 114.01421 0.49058 0.89923 ++ {0.0} {i.n} 0.0 6.9225 1 {} 0
76 {819.H} 7.25055 0.03019 0.05252 ++ {0.0} {i.hn} {819.c} 174.09854 0.62856 1.00796 ++ {0.0} {i-1,i.c} {819.N} 113.48511 0.50756 0.87930 ++ {0.0} {i.n} 0.0 4.3202 1 {} 0
77 {844.H} 7.14183 0.02616 0.03083 ++ {0.0} {i.hn} {844.C} 175.13089 0.72074 0.83757 ++ {0.0} {i.c} {844.N} 114.87441 0.45174 0.55630 ++ {0.0} {i.n} 0.0 1.5042 1 {} 0
78 {802.H} 7.44948 0.02913 0.05425 ++ {0.0} {i.hn} {802.C} 173.92152 0.59325 0.96189 ++ {0.0} {i-1,i.c} {802.N} 114.48444 0.46180 0.82428 ++ {0.0} {i.n} 0.0 5.3752 1 {} 0
79 {874.H} 7.09311 0.03254 0.04777 ++ {0.0} {i.hn} {874.C} 173.98930 0.59978 0.86240 ++ {0.0} {i.c} {874.N} 114.48620 0.46544 0.72861 ++ {0.0} {i.n} 0.0 2.6600 1 {} 0
80 {834.H} 8.06228 0.03330 0.04865 ++ {0.0} {i.hn} {834.C} 170.74799 0.60797 0.86681 ++ {0.0} {i.c} {834.N} 114.90344 0.47986 0.75571 ++ {0.0} {i.n} 0.0 2.7192 1 {} 0
81 {808.H} 7.65777 0.03070 0.04577 ++ {0.0} {i.hn} {807.C} 176.51523 0.73312 1.06718 ++ {0.0} {i-1,i.c} {808.N} 111.48149 0.54155 0.90009 ++ {0.0} {i.n} 0.0 3.4209 1 {} 0
82 {833.H} 8.55467 0.02974 0.04458 ++ {0.0} {i.hn} {833.c} 173.27512 0.56817 0.81087 ++ {0.0} {i-1,i.c} {833.N} 111.97670 0.49973 0.78010 ++ {0.0} {i.n} 0.0 2.6336 1 {} 0
83 {901.H} 8.45421 0.03187 0.05185 ++ {0.0} {i.hn} {900.C} 176.51874 0.53742 0.85404 ++ {0.0} {i-1.c} {901.N} 111.04314 0.46064 0.77821 ++ {0.0} {i.n} 0.0 3.7219 1 {} 0
84 {899.H} 8.38822 0.03302 0.04940 ++ {0.0} {i.hn} {898.C} 176.93207 0.62196 0.87227 ++ {0.0} {i-1.c} {899.N} 109.40022 0.53174 0.82322 ++ {0.0} {i.n} 0.0 2.5585 1 {} 0
85 {894.H} 7.73611 0.04081 0.04917 ++ {0.0} {i.hn} {894.C} 176.88957 0.62026 0.75441 ++ {0.0} {i.c} {894.N} 109.94102 0.56112 0.75187 ++ {0.0} {i.n} 0.0 1.7514 1 {} 0
86 {784.H} 8.61599 0.02622 0.04257 ++ {0.0} {i.hn} {783.C} 175.01369 0.59033 0.91331 ++ {0.0} {i-1,i.c} {784.N} 111.01061 0.55653 0.90185 ++ {0.0} {i.n} 0.0 3.0461 1 {} 0
87 {899.H} 8.38534 0.03093 0.05466 ++ {0.0} {i.hn} {899.C} 174.15602 0.61525 1.08555 ++ {0.0} {i.c} {899.N} 109.42992 0.49690 0.92085 ++ {0.0} {i.n} 0.0 7.8755 1 {} 0
88 {784.H} 8.61413 0.03322 0.05711 ++ {0.0} {i.hn} {784.c} 174.00842 0.60994 1.10320 ++ {0.0} {i-1,i.c} {784.N} 111.00056 0.50023 0.95480 ++ {0.0} {i.n} 0.0 12.6658 1 {} 0
89 {901.H} 8.45400 0.03087 0.05651 ++ {0.0} {i.hn} {901.C} 173.83678 0.61191 1.10847 ++ {0.0} {i.c} {901.N} 111.03249 0.50864 0.96216 ++ {0.0} {i.n} 0.0 10.6672 1 {} 0
90 {840.H} 8.61045 0.03745 0.04449 ++ {0.0} {i.hn} {840.C} 174.85002 0.57201 0.71135 ++ {0.0} {i.c} {840.N} 107.88040 0.51621 0.70677 ++ {0.0} {i.n} 0.0 1.8325 1 {} 0
91 {841.H} 7.90875 0.03464 0.05029 ++ {0.0} {i.hn} {841.C} 174.28595 0.64377 0.94242 ++ {0.0} {i-1,i.c} {841.N} 108.00718 0.50854 0.81814 ++ {0.0} {i.n} 0.0 2.9550 1 {} 0
92 {850.H} 7.50063 0.02757 0.04981 ++ {0.0} {i.hn} {850.C} 170.67723 0.62604 1.03199 ++ {0.0} {i-1,i.c} {850.N} 107.97289 0.48738 0.89219 ++ {0.0} {i.n} 0.0 6.8231 1 {} 0
93 {832.H} 8.38563 0.04068 0.04620 ++ {0.0} {i.hn} {832.C} 177.05215 0.63583 0.74375 ++ {0.0} {i-1,i.c} {832.N} 103.02943 0.49409 0.60130 ++ {0.0} {i.n} 0.0 1.4764 1 {} 0
94 {805.H} 6.86577 0.03681 0.05072 ++ {0.0} {i.hn} {805.C} 175.49997 0.61515 0.87446 ++ {0.0} {i.c} {805.N} 99.80114 0.50594 0.78754 ++ {0.0} {i.n} 0.0 2.6071 1 {} 0
95 {876.H} 9.36038 0.02080 0.02972 ++ {0.0} {i.hn} {875.c} 173.13301 0.23831 0.34044 ++ {0.0} {i-1.c} {876.N} 130.03989 0.45271 0.31054 ++ {0.0} {i.n} 0.0 0.5630 1 {} 0
96 {876.H} 9.36330 0.02743 0.02823 ++ {0.0} {i.hn} {876.C} 174.00941 0.52257 0.54135 ++ {0.0} {i.c} {876.N} 130.07124 0.42761 0.44593 ++ {0.0} {i.n} 0.0 0.7730 1 {} 0
97 {875.H} 9.12009 0.02918 0.03191 ++ {0.0} {i.hn} {875.c} 173.13223 0.57797 0.64746 ++ {0.0} {i.c} {875.N} 129.54216 0.49827 0.55770 ++ {0.0} {i.n} 0.0 0.8401 1 {} 0
98 {875.H} 9.11069 0.01468 0.02097 ++ {0.0} {i.hn} {874.C} 173.96736 0.22409 0.32014 ++ {0.0} {i-1.c} {875.N} 129.43419 0.56617 0.33403 ++ {0.0} {i.n} 0.0 0.5247 1 {} 0
99 {789.H} 9.21774 0.03247 0.03859 ++ {0.0} {i.hn} {788.C} 175.26855 0.48080 0.56317 ++ {0.0} {i-1,i.c} {789.N} 129.03506 0.50699 0.65182 ++ {0.0} {i.n} 0.0 1.0357 1 {} 0
100 {789.H} 9.21090 0.04304 0.05083 ++ {0.0} {i.hn} {789.C} 176.40671 0.54780 0.64562 ++ {0.0} {i-1,i.c} {789.N} 129.03412 0.43597 0.55938 ++ {0.0} {i.n} 0.0 1.0320 1 {} 0
101 {877.H} 9.01732 0.01526 0.02180 ++ {0.0} {i.hn} {877.C} 174.06140 0.34019 0.48598 ++ {0.0} {i.c} {877.N} 127.07077 0.42827 0.40032 ++ {0.0} {i.n} 0.0 0.5556 1 {} 0
102 {790.H} 8.76178 0.03187 0.04388 ++ {0.0} {i.hn} {789.C} 176.36574 0.63772 0.83091 ++ {0.0} {i-1.c} {790.N} 126.97754 0.47929 0.69693 ++ {0.0} {i.n} 0.0 1.0842 1 {} 0
103 {853.H} 8.52827 0.03314 0.03723 ++ {0.0} {i.hn} {852.C} 173.20374 0.56938 0.62425 ++ {0.0} {i-1.c} {853.N} 126.94772 0.38905 0.44671 ++ {0.0} {i.n} 0.0 0.6949 1 {} 0
104 {858.H} 7.21888 0.03380 0.03904 ++ {0.0} {i.hn} {858.C} 175.02063 0.59171 0.73142 ++ {0.0} {i.c} {858.N} 126.98298 0.69693 0.82038 ++ {0.0} {i.n} 0.0 0.7193 1 {} 0
105 {807.H} 9.10081 0.03199 0.04211 ++ {0.0} {i.hn} {807.C} 176.41583 0.76227 1.06725 ++ {0.0} {i.c} {807.N} 126.41387 0.44877 0.66611 ++ {0.0} {i.n} 0.0 1.1478 1 {} 0
106 {852.H} 8.43287 0.02084 0.03136 ++ {0.0} {i.hn} {851.C} 176.83664 0.50575 0.74777 ++ {0.0} {i-1.c} {852.N} 125.44756 0.46237 0.70134 ++ {0.0} {i.n} 0.0 1.2251 1 {} 0
107 {852.H} 8.43698 0.03008 0.03786 ++ {0.0} {i.hn} {852.C} 173.04324 0.70658 0.93972 ++ {0.0} {i.c} {852.N} 125.46668 0.59930 0.83676 ++ {0.0} {i.n} 0.0 0.9803 1 {} 0
108 {880.H} 8.29543 0.03508 0.03673 ++ {0.0} {i.hn} {879.C} 175.21570 0.52754 0.55175 ++ {0.0} {i-1.c} {880.N} 123.97685 0.56037 0.60521 ++ {0.0} {i.n} 0.0 0.6434 1 {} 0
109 {788.H} 8.40160 0.02807 0.04277 ++ {0.0} {i.hn} {787.C} 176.26961 0.56072 1.02610 ++ {0.0} {i-1.c} {788.N} 124.15063 0.40775 0.66359 ++ {0.0} {i.n} 0.0 1.5886 1 {} 0
110 {846.H} 9.02959 0.02992 0.04844 ++ {0.0} {i.hn} {845.c} 176.65105 0.66023 1.11930 ++ {0.0} {i-1.c} {846.N} 123.65488 0.50028 0.87863 ++ {0.0} {i.n} 0.0 2.4284 1 {} 0
111 {800.H} 9.13150 0.03088 0.04224 ++ {0.0} {i.hn} {800.C} 175.20029 0.60198 0.79664 ++ {0.0} {i.c} {800.N} 122.99401 0.42872 0.66663 ++ {0.0} {i.n} 0.0 1.3299 1 {} 0
112 {800.H} 9.12557 0.02720 0.03480 ++ {0.0} {i.hn} {799.C} 176.10962 0.58542 0.78142 ++ {0.0} {i-1.c} {800.N} 122.93957 0.49159 0.73676 ++ {0.0} {i.n} 0.0 1.1808 1 {} 0
113 {854.H} 9.40354 0.04163 0.04635 ++ {0.0} {i.hn} {853.C} 176.03273 0.54707 0.60277 ++ {0.0} {i-1.c} {854.N} 122.98033 0.42043 0.49251 ++ {0.0} {i.n} 0.0 0.7144 1 {} 0
114 {898.H} 8.38812 0.02313 0.02921 ++ {0.0} {i.hn} {897.C} 174.76601 0.53867 0.69376 ++ {0.0} {i-1,i.c} {898.N} 123.01269 0.69505 0.95598 ++ {0.0} {i.n} 0.0 0.9476 1 {} 0
115 {898.H} 8.39312 0.02313 0.02921 ++ {0.0} {i.hn} {898.c} 176.90829 0.53867 0.69376 ++ {0.0} {i-1,i.c} {898.N} 123.01269 0.69505 0.95598 ++ {0.0} {i.n} 0.0 0.9476 1 {} 0
116 {815.H} 8.78950 0.02313 0.02921 ++ {0.0} {i.hn} {814.C} 177.5013 0.53867 0.69376 ++ {0.0} {i-1,i.c} {815.N} 123.01269 0.69505 0.95598 ++ {0.0} {i.n} 0.0 0.9476 -1 {} 0
117 {815.H} 8.74374 0.03520 0.04812 ++ {0.0} {i.hn} {815.C} 176.47656 0.67687 0.86154 ++ {0.0} {i.c} {815.N} 122.86388 0.45087 0.68608 ++ {0.0} {i.n} 0.0 1.2375 1 {} 0
118 {829.H} 8.78233 0.02313 0.02921 ++ {0.0} {i.hn} {828.c} 180.55933 0.53867 0.69376 ++ {0.0} {i-1.c} {829.N} 123.01269 0.69505 0.95598 ++ {0.0} {i.n} 0.0 0.9476 1 {} 0
119 {830.H} 8.82872 0.03432 0.04337 ++ {0.0} {i.hn} {829.C} 178.70576 0.36717 0.47425 ++ {0.0} {i-1.c} {830.N} 122.50739 0.39535 0.54894 ++ {0.0} {i.n} 0.0 0.9679 1 {} 0
120 {814.H} 8.20524 0.03178 0.03940 ++ {0.0} {i.hn} {813.C} 178.97586 0.65206 0.78296 ++ {0.0} {i-1,i.c} {814.N} 122.56515 0.40564 0.55615 ++ {0.0} {i.n} 0.0 0.9410 1 {} 0
121 {812.H} 8.47041 0.02545 0.03217 ++ {0.0} {i.hn} {811.C} 177.27005 0.67523 0.92837 ++ {0.0} {i-1,i.c} {812.N} 122.52103 0.53117 0.74544 ++ {0.0} {i.n} 0.0 0.9921 1 {} 0
122 {883.H} 7.75682 0.02279 0.03620 ++ {0.0} {i.hn} {882.C} 172.14853 0.50082 0.60384 ++ {0.0} {i-1.c} {883.N} 122.03145 0.43354 0.58141 ++ {0.0} {i.n} 0.0 0.8983 1 {} 0
123 {855.H} 8.48834 0.02340 0.02703 ++ {0.0} {i.hn} {854.C} 173.87167 0.52538 0.59821 ++ {0.0} {i-1.c} {855.N} 121.54669 0.56299 0.65743 ++ {0.0} {i.n} 0.0 0.7112 1 {} 0
124 {799.H} 8.33604 0.03113 0.04348 ++ {0.0} {i.hn} {798.C} 173.75241 0.55242 0.74526 ++ {0.0} {i-1.c} {799.N} 121.54089 0.46066 0.68740 ++ {0.0} {i.n} 0.0 1.1656 1 {} 0
125 {797.H} 6.86428 0.02380 0.03140 ++ {0.0} {i.hn} {796.C} 172.55347 0.46959 0.57417 ++ {0.0} {i-1,i.c} {797.N} 121.54821 0.45460 0.63291 ++ {0.0} {i.n} 0.0 0.9739 1 {} 0
126 {836.H} 7.76136 0.04522 0.05037 ++ {0.0} {i.hn} {835.C} 172.86302 0.70185 0.77505 ++ {0.0} {i-1,i.c} {836.N} 120.92860 0.50459 0.57907 ++ {0.0} {i.n} 0.0 0.6944 1 {} 0
127 {828.H} 8.70099 0.02455 0.02363 ++ {0.0} {i.hn} {827.C} 177.91455 0.34043 0.48633 ++ {0.0} {i-1,i.c} {828.N} 120.97926 0.64926 0.62091 ++ {0.0} {i.n} 0.0 0.5671 1 {} 0
128 {803.H} 8.83538 0.03149 0.03928 ++ {0.0} {i.hn} {802.C} 173.97649 0.40570 0.46571 ++ {0.0} {i-1,i.c} {803.N} 121.02736 0.57419 0.68947 ++ {0.0} {i.n} 0.0 0.7406 1 {} 0
129 {798.H} 8.89137 0.02213 0.02443 ++ {0.0} {i.hn} {797.C} 176.72215 0.67741 0.72654 ++ {0.0} {i-1.c} {798.N} 120.62131 0.46130 0.52037 ++ {0.0} {i.n} 0.0 0.6788 1 {} 0
130 {803.H} 8.83378 0.04147 0.05513 ++ {0.0} {i.hn} {803.c} 178.04832 0.63174 0.94625 ++ {0.0} {i-1,i.c} {803.N} 120.92213 0.50744 0.81186 ++ {0.0} {i.n} 0.0 1.4795 1 {} 0
131 {823.H} 8.21763 0.02213 0.02443 ++ {0.0} {i.hn} {822.c} 179.53720 0.67741 0.72654 ++ {0.0} {i-1.c} {823.N} 120.62131 0.46130 0.52037 ++ {0.0} {i.n} 0.0 0.6788 1 {} 0
132 {824.H} 8.69440 0.03844 0.06524 ++ {0.0} {i.hn} {823.C} 178.94101 0.58545 1.03253 ++ {0.0} {i-1,i.c} {824.N} 120.03260 0.47395 0.84604 ++ {0.0} {i.n} 0.0 2.7543 1 {} 0
133 {893.H} 7.81292 0.02071 0.02986 ++ {0.0} {i.hn} {892.C} 177.81078 0.61910 0.84208 ++ {0.0} {i-1.c} {893.N} 120.02625 0.57341 0.83026 ++ {0.0} {i.n} 0.0 1.0721 1 {} 0
134 {885.H} 7.59557 0.02598 0.03200 ++ {0.0} {i.hn} {884.C} 178.68320 0.47074 0.54370 ++ {0.0} {i-1.c} {885.N} 119.98384 0.41536 0.53014 ++ {0.0} {i.n} 0.0 0.8179 1 {} 0
135 {845.H} 6.68557 0.02597 0.03229 ++ {0.0} {i.hn} {844.C} 175.18001 0.54685 0.68893 ++ {0.0} {i-1,i.c} {845.N} 120.02022 0.50211 0.66799 ++ {0.0} {i.n} 0.0 0.8839 1 {} 0
136 {826.H} 7.98149 0.04444 0.06614 ++ {0.0} {i.hn} {825.C} 178.59161 0.61501 0.89312 ++ {0.0} {i-1,i.c} {826.N} 120.02340 0.53198 0.86626 ++ {0.0} {i.n} 0.0 1.5927 1 {} 0
137 {886.H} 7.17005 0.04444 0.06614 ++ {0.0} {i.hn} {886.C} 176.89539 0.61501 0.89312 ++ {0.0} {i-1,i.c} {886.N} 120.02340 0.53198 0.86626 ++ {0.0} {i.n} 0.0 1.5927 1 {} 0
138 {886.H} 7.17005 0.04444 0.06614 ++ {0.0} {i.hn} {885.C} 176.25082 0.61501 0.89312 ++ {0.0} {i-1,i.c} {886.N} 120.02340 0.53198 0.86626 ++ {0.0} {i.n} 0.0 1.5927 1 {} 0
139 {856.H} 8.25931 0.03476 0.04057 ++ {0.0} {i.hn} {855.C} 172.36966 0.60712 0.71953 ++ {0.0} {i-1.c} {856.N} 119.50109 0.46971 0.61256 ++ {0.0} {i.n} 0.0 0.8506 1 {} 0
140 {804.H} 8.98430 0.03109 0.04787 ++ {0.0} {i.hn} {804.C} 175.40305 0.66363 0.92491 ++ {0.0} {i.c} {804.N} 119.64939 0.49808 0.81229 ++ {0.0} {i.n} 0.0 1.6034 1 {} 0
141 {804.H} 8.98485 0.02907 0.04096 ++ {0.0} {i.hn} {803.C} 178.00209 0.66536 0.87758 ++ {0.0} {i-1.c} {804.N} 119.54964 0.56496 0.84050 ++ {0.0} {i.n} 0.0 1.1554 1 {} 0
142 {822.H} 8.40357 0.03089 0.05756 ++ {0.0} {i.hn} {822.c} 179.50456 0.59089 1.01108 ++ {0.0} {i-1,i.c} {822.N} 119.54633 0.49270 0.91621 ++ {0.0} {i.n} 0.0 4.2142 1 {} 0
143 {811.H} 8.64981 0.01871 0.02238 ++ {0.0} {i.hn} {810.C} 181.14729 0.55331 0.63738 ++ {0.0} {i-1.c} {811.N} 119.49013 0.41538 0.52516 ++ {0.0} {i.n} 0.0 0.8045 1 {} 0
144 {870.H} 9.04539 0.03554 0.05937 ++ {0.0} {i.hn} {870.C} 177.60310 0.59995 0.87585 ++ {0.0} {i.c} {870.N} 119.11665 0.46141 0.72834 ++ {0.0} {i.n} 0.0 1.4043 1 {} 0
145 {801.H} 9.17470 0.01151 0.01644 ++ {0.0} {i.hn} {800.C} 175.22859 0.27055 0.38649 ++ {0.0} {i-1.c} {801.N} 119.07076 0.41532 0.28385 ++ {0.0} {i.n} 0.0 0.4496 1 {} 0
146 {801.H} 9.17236 0.01473 0.02105 ++ {0.0} {i.hn} {801.C} 172.88683 0.84285 0.80670 ++ {0.0} {i.c} {801.N} 118.97353 0.50123 0.45081 ++ {0.0} {i.n} 0.0 0.5378 1 {} 0
147 {842.H} 9.44538 0.03444 0.04510 ++ {0.0} {i.hn} {841.c} 174.27571 0.56260 0.72419 ++ {0.0} {i-1.c} {842.N} 118.97055 0.42871 0.58170 ++ {0.0} {i.n} 0.0 0.9203 1 {} 0
148 {810.H} 7.60289 0.01985 0.02146 ++ {0.0} {i.hn} {809.C} 177.35861 0.55789 0.59851 ++ {0.0} {i-1.c} {810.N} 119.12148 0.61861 0.68120 ++ {0.0} {i.n} 0.0 0.6585 1 {} 0
149 {810.H} 7.60810 0.03356 0.05119 ++ {0.0} {i.hn} {810.C} 181.14604 0.63828 0.95262 ++ {0.0} {i.c} {810.N} 119.23787 0.47651 0.78253 ++ {0.0} {i.n} 0.0 1.6543 1 {} 0
150 {869.H} 8.90696 0.01993 0.03169 ++ {0.0} {i.hn} {868.C} 173.48010 0.44498 0.63383 ++ {0.0} {i-1.c} {869.N} 118.52947 0.49566 0.69412 ++ {0.0} {i.n} 0.0 0.9871 1 {} 0
151 {869.H} 8.90150 0.03387 0.04657 ++ {0.0} {i.hn} {869.C} 177.29422 0.59175 0.83707 ++ {0.0} {i.c} {869.N} 118.56264 0.50192 0.76279 ++ {0.0} {i.n} 0.0 1.2324 1 {} 0
152 {818.H} 7.82381 0.03387 0.04657 ++ {0.0} {i.hn} {817.c} 177.32814 0.59175 0.83707 ++ {0.0} {i-1.c} {818.N} 118.56264 0.50192 0.76279 ++ {0.0} {i.n} 0.0 1.2324 1 {} 0
153 {892.H} 7.67620 0.02781 0.04316 ++ {0.0} {i.hn} {891.C} 179.18565 0.64972 0.84048 ++ {0.0} {i-1.c} {892.N} 118.01221 0.55540 0.81554 ++ {0.0} {i.n} 0.0 1.1134 1 {} 0
154 {795.H} 7.90071 0.03044 0.05077 ++ {0.0} {i.hn} {794.C} 179.08392 0.62299 1.01423 ++ {0.0} {i-1,i.c} {795.N} 118.02756 0.49418 0.86832 ++ {0.0} {i.n} 0.0 2.4367 1 {} 0
155 {795.H} 7.90071 0.03044 0.05077 ++ {0.0} {i.hn} {795.C} 177.42163 0.62299 1.01423 ++ {0.0} {i-1,i.c} {795.N} 118.02756 0.49418 0.86832 ++ {0.0} {i.n} 0.0 2.4367 1 {} 0
156 {816.H} 8.03288 0.03461 0.05793 ++ {0.0} {i.hn} {816.C} 177.26141 0.63481 1.01227 ++ {0.0} {i-1,i.c} {816.N} 117.94433 0.53663 0.92696 ++ {0.0} {i.n} 0.0 2.1711 1 {} 0
157 {871.H} 8.23223 0.03028 0.03586 ++ {0.0} {i.hn} {870.C} 177.66544 0.69311 0.79760 ++ {0.0} {i-1.c} {871.N} 117.96432 0.34837 0.43588 ++ {0.0} {i.n} 0.0 0.7904 1 {} 0
158 {849.H} 8.83948 0.03313 0.03496 ++ {0.0} {i.hn} {848.C} 175.54289 0.62289 0.68899 ++ {0.0} {i-1.c} {849.N} 117.91295 0.49056 0.53505 ++ {0.0} {i.n} 0.0 0.6509 1 {} 0
159 {862.H} 8.95901 0.02969 0.04356 ++ {0.0} {i.hn} {862.C} 173.56967 0.68999 0.90006 ++ {0.0} {i.c} {862.N} 117.50959 0.52737 0.81029 ++ {0.0} {i.n} 0.0 1.2769 1 {} 0
160 {862.H} 8.95575 0.01539 0.02199 ++ {0.0} {i.hn} {861.C} 176.57353 0.26422 0.37746 ++ {0.0} {i-1.c} {862.N} 117.54090 0.55556 0.43374 ++ {0.0} {i.n} 0.0 0.4854 1 {} 0
161 {867.H} 8.14267 0.04731 0.06401 ++ {0.0} {i.hn} {867.C} 173.62805 0.53787 0.83027 ++ {0.0} {i-1,i.c} {867.N} 117.68781 0.54884 0.83552 ++ {0.0} {i.n} 0.0 1.2391 1 {} 0
162 {867.H} 8.15187 0.03265 0.03988 ++ {0.0} {i.hn} {866.C} 175.17677 0.54271 0.63201 ++ {0.0} {i-1,i.c} {867.N} 117.60586 0.42226 0.55253 ++ {0.0} {i.n} 0.0 0.8560 1 {} 0
163 {813.H} 8.09676 0.02997 0.02482 ++ {0.0} {i.hn} {812.C} 176.15306 0.45210 0.42426 ++ {0.0} {i-1,i.c} {813.N} 117.42500 0.39489 0.35125 ++ {0.0} {i.n} 0.0 0.5330 1 {} 0
164 {873.H} 7.87745 0.02950 0.03914 ++ {0.0} {i.hn} {873.c} 171.79529 0.59849 0.75790 ++ {0.0} {i.c} {873.N} 117.44021 0.46912 0.69124 ++ {0.0} {i.n} 0.0 1.1241 1 {} 0
165 {873.H} 7.88445 0.02026 0.02198 ++ {0.0} {i.hn} {872.C} 173.22850 0.63510 0.67858 ++ {0.0} {i-1.c} {873.N} 117.50165 0.43785 0.49325 ++ {0.0} {i.n} 0.0 0.6776 1 {} 0
166 {888.H} 7.63543 0.03028 0.03710 ++ {0.0} {i.hn} {887.C} 176.94293 0.45001 0.55091 ++ {0.0} {i-1.c} {888.N} 116.97001 0.41294 0.54970 ++ {0.0} {i.n} 0.0 0.8850 1 {} 0
167 {884.H} 8.38280 0.02954 0.03711 ++ {0.0} {i.hn} {883.C} 175.84807 0.50208 0.62447 ++ {0.0} {i-1.c} {884.N} 115.53765 0.45819 0.60048 ++ {0.0} {i.n} 0.0 0.8585 1 {} 0
168 {820.H} 7.43990 0.02219 0.04056 ++ {0.0} {i.hn} {819.C} 174.08284 0.63748 0.91603 ++ {0.0} {i-1.c} {820.N} 115.57903 0.40320 0.62183 ++ {0.0} {i.n} 0.0 1.2930 1 {} 0
169 {872.H} 7.30358 0.02560 0.02969 ++ {0.0} {i.hn} {871.C} 174.45378 0.53354 0.58668 ++ {0.0} {i-1,i.c} {872.N} 115.50595 0.45324 0.53034 ++ {0.0} {i.n} 0.0 0.7132 1 {} 0
170 {796.H} 7.17007 0.04122 0.05952 ++ {0.0} {i.hn} {796.C} 172.49097 0.68011 1.04120 ++ {0.0} {i.c} {796.N} 115.37875 0.49824 0.82776 ++ {0.0} {i.n} 0.0 1.7479 1 {} 0
171 {796.H} 7.16373 0.04122 0.05952 ++ {0.0} {i.hn} {795.C} 177.37608 0.68011 1.04120 ++ {0.0} {i-1.c} {796.N} 115.37875 0.49824 0.82776 ++ {0.0} {i.n} 0.0 1.7479 1 {} 0
172 {834.H} 8.06285 0.02967 0.02897 ++ {0.0} {i.hn} {833.c} 173.27455 0.33748 0.48212 ++ {0.0} {i-1.c} {834.N} 114.94470 0.48401 0.47111 ++ {0.0} {i.n} 0.0 0.5765 1 {} 0
173 {831.H} 8.02441 0.01926 0.02162 ++ {0.0} {i.hn} {830.C} 176.46449 0.52633 0.57284 ++ {0.0} {i-1,i.c} {831.N} 114.59611 0.39950 0.45404 ++ {0.0} {i.n} 0.0 0.6855 1 {} 0
174 {802.H} 7.44596 0.02489 0.03001 ++ {0.0} {i.hn} {801.C} 172.67038 0.55644 0.64492 ++ {0.0} {i-1,i.c} {802.N} 114.48624 0.45974 0.59835 ++ {0.0} {i.n} 0.0 0.8473 1 {} 0
175 {844.H} 7.15298 0.02474 0.02699 ++ {0.0} {i.hn} {843.C} 178.76099 0.56469 0.63450 ++ {0.0} {i-1.c} {844.N} 114.62049 0.43788 0.52066 ++ {0.0} {i.n} 0.0 0.7299 1 {} 0
176 {874.H} 7.10085 0.00361 0.00516 ++ {0.0} {i.hn} {873.c} 171.80145 0.11690 0.16700 ++ {0.0} {i-1.c} {874.N} 114.51730 0.27456 0.39223 ++ {0.0} {i.n} 0.0 0.3516 1 {} 0
177 {794.H} 7.43836 0.01554 0.02220 ++ {0.0} {i.hn} {793.C} 177.53920 0.25669 0.36670 ++ {0.0} {i-1.c} {794.N} 113.47215 0.45640 0.41251 ++ {0.0} {i.n} 0.0 0.5400 1 {} 0
178 {794.H} 7.43079 0.03389 0.04758 ++ {0.0} {i.hn} {794.C} 179.12666 0.60724 0.83809 ++ {0.0} {i.c} {794.N} 113.49098 0.47548 0.75978 ++ {0.0} {i.n} 0.0 1.4721 1 {} 0
179 {819.H} 7.25062 0.01754 0.01933 ++ {0.0} {i.hn} {818.C} 177.77901 0.52943 0.57049 ++ {0.0} {i-1,i.c} {819.N} 113.46204 0.45154 0.50813 ++ {0.0} {i.n} 0.0 0.6767 1 {} 0
180 {847.H} 8.60835 0.02623 0.02848 ++ {0.0} {i.hn} {846.c} 177.36783 0.52864 0.56076 ++ {0.0} {i-1.c} {847.N} 112.54047 0.41765 0.46158 ++ {0.0} {i.n} 0.0 0.6615 1 {} 0
181 {847.H} 8.61621 0.02823 0.04827 ++ {0.0} {i.hn} {847.C} 175.12288 0.59877 0.88295 ++ {0.0} {i.c} {847.N} 112.47824 0.51054 0.82349 ++ {0.0} {i.n} 0.0 1.5293 1 {} 0
182 {833.H} 8.56501 0.01889 0.01974 ++ {0.0} {i.hn} {832.C} 176.91988 0.60699 0.62330 ++ {0.0} {i-1,i.c} {833.N} 112.04253 0.43655 0.46021 ++ {0.0} {i.n} 0.0 0.6258 1 {} 0
183 {808.H} 7.65777 0.03070 0.05235 ++ {0.0} {i.hn} {808.C} 176.99017 0.73312 1.19745 ++ {0.0} {i-1,i.c} {808.N} 111.48149 0.54155 0.98939 ++ {0.0} {i.n} 0.0 3.4209 1 {} 0
184 {894.H} 7.74817 0.02327 0.03324 ++ {0.0} {i.hn} {893.C} 179.64204 0.48707 0.43478 ++ {0.0} {i-1.c} {894.N} 109.87022 0.32946 0.28081 ++ {0.0} {i.n} 0.0 0.5157 1 {} 0
185 {841.H} 7.90530 0.02475 0.05559 ++ {0.0} {i.hn} {840.C} 174.72935 0.59343 0.65911 ++ {0.0} {i-1,i.c} {841.N} 107.88119 0.34049 0.39352 ++ {0.0} {i.n} 0.0 0.7011 1 {} 0
186 {840.H} 8.60897 0.02475 0.02676 ++ {0.0} {i.hn} {839.C} 177.61293 0.59343 0.65911 ++ {0.0} {i-1.c} {840.N} 107.88119 0.34049 0.39352 ++ {0.0} {i.n} 0.0 0.7011 1 {} 0
187 {850.H} 7.49320 0.02497 0.02897 ++ {0.0} {i.hn} {849.C} 174.58826 0.49625 0.61841 ++ {0.0} {i-1,i.c} {850.N} 107.93886 0.46802 0.55365 ++ {0.0} {i.n} 0.0 0.7244 1 {} 0
188 {860.H} 7.75462 0.03832 0.05139 ++ {0.0} {i.hn} {859.C} 173.64857 0.87111 0.99068 ++ {0.0} {i-1,i.c} {860.N} 106.99866 0.63588 0.83897 ++ {0.0} {i.n} 0.0 0.8696 1 {} 0
189 {860.H} 7.75462 0.03832 0.05139 ++ {0.0} {i.hn} {860.C} 173.27541 0.87111 0.99068 ++ {0.0} {i-1,i.c} {860.N} 106.99866 0.63588 0.83897 ++ {0.0} {i.n} 0.0 0.8696 1 {} 0
190 {832.H} 8.38632 0.02686 0.02817 ++ {0.0} {i.hn} {831.C} 174.47350 0.56599 0.59150 ++ {0.0} {i-1,i.c} {832.N} 103.00287 0.45340 0.48274 ++ {0.0} {i.n} 0.0 0.6328 1 {} 0
191 {882.H} 7.38451 0.03236 0.05392 ++ {0.0} {i.hn} {882.C} 172.15193 0.66292 1.04760 ++ {0.0} {i.c} {882.N} 112.60165 0.51125 0.88212 ++ {0.0} {i.n} 0.0 2.6944 0 {} 0
192 {882.H} 7.37110 0.02730 0.02662 ++ {0.0} {i.hn} {881.C} 176.09134 0.52713 0.51318 ++ {0.0} {i.c} {882.N} 112.53286 0.53866 0.52113 ++ {0.0} {i.n} 0.0 0.4586 0 {} 0
193 {865.H} 8.75930 0.06878 0.02247 ++ {0.0} {i.hn} {865.C} 174.37372 0.56516 0.35260 ++ {0.0} {i.c} {865.N} 123.04478 0.40612 0.18848 ++ {0.0} {i.n} 0.0 0.7527 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(N) 1 . 3061 Hz . . . . . . 27477 3
2 . . C 13 C 1 . 3770 Hz . . . . . . 27477 3
3 . . N 15 (H)N 1 . 1950 Hz . . . . . . 27477 3
stop_
loop_
_Spectral_peak_software.Software_ID
_Spectral_peak_software.Software_label
_Spectral_peak_software.Method_ID
_Spectral_peak_software.Method_label
_Spectral_peak_software.Entry_ID
_Spectral_peak_software.Spectral_peak_list_ID
1 $NMRView . . 27477 3
stop_
save_